NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23712 | 2jxp | 15568 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -10.685 35.083 14.196 2 H1 MET 1 1H MET 1 -9.986 37.339 13.779 3 H2 MET 1 2H MET 1 -9.432 36.921 12.237 4 H3 MET 1 3H MET 1 -8.681 36.275 13.606 5 HB2 MET 1 2HB MET 1 -11.727 36.270 11.614 6 HB3 MET 1 3HB MET 1 -12.512 34.951 12.474 7 HG2 MET 1 2HG MET 1 -12.049 37.736 13.528 8 HG3 MET 1 3HG MET 1 -13.584 37.063 12.975 9 HE1 MET 1 3HE MET 1 -14.056 37.367 16.873 10 HE2 MET 1 1HE MET 1 -14.699 37.822 15.295 11 HE3 MET 1 2HE MET 1 -13.147 38.464 15.834 12 H GLY 2 H GLY 2 -9.655 35.388 10.769 13 HA2 GLY 2 2HA GLY 2 -8.441 33.851 9.507 14 HA3 GLY 2 3HA GLY 2 -8.446 32.752 10.877 15 H PHE 3 H PHE 3 -9.528 33.130 7.798 16 HA PHE 3 HA PHE 3 -12.112 31.798 8.133 17 HD1 PHE 3 HD2 PHE 3 -10.134 34.918 6.695 18 HD2 PHE 3 HD1 PHE 3 -14.148 33.524 6.372 19 HE1 PHE 3 HE2 PHE 3 -10.958 37.194 7.130 20 HE2 PHE 3 HE1 PHE 3 -14.975 35.798 6.803 21 HZ PHE 3 HZ PHE 3 -13.381 37.635 7.183 22 HB2 PHE 3 2HB PHE 3 -10.693 32.746 5.625 23 HB3 PHE 3 3HB PHE 3 -12.339 32.129 5.696 24 H LYS 4 H LYS 4 -12.602 29.744 7.239 25 HA LYS 4 HA LYS 4 -10.238 28.015 6.907 26 HB2 LYS 4 2HB LYS 4 -13.074 27.314 7.704 27 HB3 LYS 4 3HB LYS 4 -11.808 26.128 7.422 28 HG2 LYS 4 2HG LYS 4 -11.916 26.404 9.753 29 HG3 LYS 4 3HG LYS 4 -10.482 27.293 9.243 30 HD2 LYS 4 2HD LYS 4 -11.835 29.385 9.290 31 HD3 LYS 4 3HD LYS 4 -13.188 28.452 9.931 32 HE2 LYS 4 2HE LYS 4 -10.486 28.783 11.239 33 HE3 LYS 4 3HE LYS 4 -11.968 29.612 11.710 34 HZ1 LYS 4 3HZ LYS 4 -11.549 26.670 11.794 35 HZ2 LYS 4 1HZ LYS 4 -12.939 27.492 12.297 36 HZ3 LYS 4 2HZ LYS 4 -11.486 27.708 13.129 37 H LEU 5 H LEU 5 -9.786 28.190 4.750 38 HA LEU 5 HA LEU 5 -11.885 27.365 2.841 39 HG LEU 5 HG LEU 5 -10.893 30.598 1.295 40 HB2 LEU 5 2HB LEU 5 -9.388 29.018 2.472 41 HB3 LEU 5 3HB LEU 5 -10.232 28.304 1.114 42 HD11 LEU 5 1HD1 LEU 5 -13.102 28.810 2.308 43 HD12 LEU 5 2HD1 LEU 5 -12.637 29.046 0.624 44 HD13 LEU 5 3HD1 LEU 5 -13.316 30.386 1.546 45 HD21 LEU 5 3HD2 LEU 5 -11.951 31.536 3.283 46 HD22 LEU 5 1HD2 LEU 5 -10.319 30.973 3.644 47 HD23 LEU 5 2HD2 LEU 5 -11.714 30.015 4.145 48 H ARG 6 H ARG 6 -10.393 26.567 0.704 49 HA ARG 6 HA ARG 6 -8.606 24.443 1.674 50 HE ARG 6 HE ARG 6 -11.726 21.587 1.282 51 HB2 ARG 6 2HB ARG 6 -10.916 23.533 1.290 52 HB3 ARG 6 3HB ARG 6 -10.765 23.993 -0.399 53 HG2 ARG 6 2HG ARG 6 -8.734 22.507 -0.523 54 HG3 ARG 6 3HG ARG 6 -9.146 21.940 1.098 55 HD2 ARG 6 2HD ARG 6 -10.834 21.698 -1.396 56 HD3 ARG 6 3HD ARG 6 -10.009 20.393 -0.542 57 HH11 ARG 6 1HH1 ARG 6 -11.963 19.904 -1.703 58 HH12 ARG 6 2HH1 ARG 6 -13.519 19.249 -1.341 59 HH21 ARG 6 1HH2 ARG 6 -13.735 20.763 1.739 60 HH22 ARG 6 2HH2 ARG 6 -14.517 19.735 0.586 61 H GLY 7 H GLY 7 -6.917 25.855 0.885 62 HA2 GLY 7 2HA GLY 7 -6.706 26.188 -2.015 63 HA3 GLY 7 3HA GLY 7 -5.573 26.780 -0.809 64 H GLN 8 H GLN 8 -5.868 23.868 0.297 65 HA GLN 8 HA GLN 8 -3.546 22.846 -1.130 66 HB2 GLN 8 2HB GLN 8 -3.464 21.181 0.708 67 HB3 GLN 8 3HB GLN 8 -3.435 22.843 1.282 68 HG2 GLN 8 2HG GLN 8 -5.788 22.706 1.884 69 HG3 GLN 8 3HG GLN 8 -5.874 21.067 1.238 70 HE21 GLN 8 1HE2 GLN 8 -4.971 19.387 2.396 71 HE22 GLN 8 2HE2 GLN 8 -4.450 19.545 4.031 72 H VAL 9 H VAL 9 -3.406 20.711 -1.976 73 HA VAL 9 HA VAL 9 -5.939 19.691 -3.026 74 HB VAL 9 HB VAL 9 -4.175 19.977 -4.648 75 HG11 VAL 9 1HG1 VAL 9 -2.089 18.701 -4.590 76 HG12 VAL 9 2HG1 VAL 9 -2.538 18.027 -3.023 77 HG13 VAL 9 3HG1 VAL 9 -2.236 19.758 -3.185 78 HG21 VAL 9 3HG2 VAL 9 -4.122 17.733 -5.648 79 HG22 VAL 9 1HG2 VAL 9 -5.726 18.135 -5.031 80 HG23 VAL 9 2HG2 VAL 9 -4.679 17.043 -4.123 81 H SER 10 H SER 10 -3.115 18.336 -1.291 82 HA SER 10 HA SER 10 -4.848 16.555 0.236 83 HG SER 10 HG SER 10 -5.302 15.642 -1.956 84 HB2 SER 10 2HB SER 10 -2.580 15.412 -1.437 85 HB3 SER 10 3HB SER 10 -3.657 14.507 -0.376 86 H GLU 11 H GLU 11 -3.249 18.798 0.905 87 HA GLU 11 HA GLU 11 -0.611 17.866 1.690 88 HB2 GLU 11 2HB GLU 11 -1.850 20.621 1.619 89 HB3 GLU 11 3HB GLU 11 -0.162 20.285 1.999 90 HG2 GLU 11 2HG GLU 11 0.328 19.597 -0.174 91 HG3 GLU 11 3HG GLU 11 -1.362 19.301 -0.567 92 H LEU 12 H LEU 12 0.346 18.654 3.728 93 HA LEU 12 HA LEU 12 -1.499 18.767 6.000 94 HG LEU 12 HG LEU 12 0.568 16.400 4.218 95 HB2 LEU 12 2HB LEU 12 0.165 17.089 7.132 96 HB3 LEU 12 3HB LEU 12 -1.128 16.498 6.115 97 HD11 LEU 12 1HD1 LEU 12 2.925 16.232 4.873 98 HD12 LEU 12 2HD1 LEU 12 2.503 16.773 6.497 99 HD13 LEU 12 3HD1 LEU 12 2.269 17.848 5.118 100 HD21 LEU 12 3HD2 LEU 12 1.023 14.620 6.614 101 HD22 LEU 12 1HD2 LEU 12 1.475 14.257 4.947 102 HD23 LEU 12 2HD2 LEU 12 -0.226 14.409 5.387 103 HA PRO 13 HA PRO 13 1.193 21.791 7.646 104 HB2 PRO 13 2HB PRO 13 1.333 21.294 10.313 105 HB3 PRO 13 3HB PRO 13 -0.133 21.874 9.516 106 HG2 PRO 13 2HG PRO 13 0.609 19.077 10.299 107 HG3 PRO 13 3HG PRO 13 -0.933 19.926 10.520 108 HD2 PRO 13 2HD PRO 13 -0.532 18.168 8.505 109 HD3 PRO 13 3HD PRO 13 -1.576 19.592 8.319 110 H PHE 14 H PHE 14 2.269 18.567 8.851 111 HA PHE 14 HA PHE 14 4.891 19.618 9.454 112 HD1 PHE 14 HD2 PHE 14 4.723 15.477 8.194 113 HD2 PHE 14 HD1 PHE 14 2.044 17.169 11.044 114 HE1 PHE 14 HE2 PHE 14 3.137 13.644 7.788 115 HE2 PHE 14 HE1 PHE 14 0.460 15.327 10.646 116 HZ PHE 14 HZ PHE 14 1.004 13.570 9.016 117 HB2 PHE 14 2HB PHE 14 5.473 17.151 9.854 118 HB3 PHE 14 3HB PHE 14 4.317 17.914 10.931 119 H GLU 15 H GLU 15 6.070 20.274 7.820 120 HA GLU 15 HA GLU 15 5.867 19.228 5.188 121 HB2 GLU 15 2HB GLU 15 7.701 20.824 4.663 122 HB3 GLU 15 3HB GLU 15 6.343 21.559 5.506 123 HG2 GLU 15 2HG GLU 15 7.585 21.501 7.598 124 HG3 GLU 15 3HG GLU 15 8.937 20.714 6.785 125 H ARG 16 H ARG 16 8.529 18.965 7.601 126 HA ARG 16 HA ARG 16 10.064 17.358 5.720 127 HE ARG 16 HE ARG 16 13.066 18.315 5.754 128 HB2 ARG 16 2HB ARG 16 10.764 17.899 8.611 129 HB3 ARG 16 3HB ARG 16 11.850 17.429 7.310 130 HG2 ARG 16 2HG ARG 16 10.429 20.076 7.598 131 HG3 ARG 16 3HG ARG 16 12.146 19.767 7.855 132 HD2 ARG 16 2HD ARG 16 10.717 19.387 5.219 133 HD3 ARG 16 3HD ARG 16 11.614 20.837 5.666 134 HH11 ARG 16 1HH1 ARG 16 12.380 21.244 4.063 135 HH12 ARG 16 2HH1 ARG 16 13.768 21.098 3.039 136 HH21 ARG 16 1HH2 ARG 16 14.855 18.163 4.412 137 HH22 ARG 16 2HH2 ARG 16 15.135 19.393 3.230 138 H VAL 17 H VAL 17 9.770 15.212 5.518 139 HA VAL 17 HA VAL 17 8.978 13.674 7.912 140 HB VAL 17 HB VAL 17 7.575 12.207 6.489 141 HG11 VAL 17 1HG1 VAL 17 6.766 15.120 6.416 142 HG12 VAL 17 2HG1 VAL 17 6.549 14.020 7.778 143 HG13 VAL 17 3HG1 VAL 17 5.678 13.738 6.270 144 HG21 VAL 17 3HG2 VAL 17 8.619 12.606 4.324 145 HG22 VAL 17 1HG2 VAL 17 8.078 14.285 4.346 146 HG23 VAL 17 2HG2 VAL 17 6.898 12.978 4.245 147 H TYR 18 H TYR 18 9.881 11.677 8.185 148 HA TYR 18 HA TYR 18 11.942 10.850 6.230 149 HD1 TYR 18 HD1 TYR 18 14.585 10.271 6.698 150 HD2 TYR 18 HD2 TYR 18 12.440 8.366 9.844 151 HE1 TYR 18 HE1 TYR 18 16.181 8.400 6.649 152 HE2 TYR 18 HE2 TYR 18 14.027 6.491 9.802 153 HH TYR 18 HH TYR 18 15.607 5.445 8.254 154 HB2 TYR 18 2HB TYR 18 12.985 11.529 8.298 155 HB3 TYR 18 3HB TYR 18 11.867 10.557 9.245 156 H ILE 19 H ILE 19 11.847 8.822 5.413 157 HA ILE 19 HA ILE 19 9.683 7.058 6.367 158 HB ILE 19 HB ILE 19 9.465 7.701 4.025 159 HG12 ILE 19 2HG1 ILE 19 10.336 4.807 4.320 160 HG13 ILE 19 3HG1 ILE 19 8.729 5.440 4.664 161 HG21 ILE 19 1HG2 ILE 19 12.189 6.460 3.615 162 HG22 ILE 19 2HG2 ILE 19 11.811 8.181 3.543 163 HG23 ILE 19 3HG2 ILE 19 11.132 7.079 2.345 164 HD11 ILE 19 3HD1 ILE 19 8.447 6.010 2.310 165 HD12 ILE 19 1HD1 ILE 19 8.799 4.296 2.524 166 HD13 ILE 19 2HD1 ILE 19 10.063 5.392 1.962 167 H THR 20 H THR 20 10.093 4.936 6.961 168 HA THR 20 HA THR 20 12.816 3.888 6.589 169 HB THR 20 HB THR 20 12.906 4.720 8.835 170 HG1 THR 20 HG1 THR 20 13.925 2.926 9.237 171 HG21 THR 20 3HG2 THR 20 10.394 3.135 9.398 172 HG22 THR 20 1HG2 THR 20 10.513 4.894 9.315 173 HG23 THR 20 2HG2 THR 20 11.352 4.012 10.592 174 H ALA 21 H ALA 21 12.702 2.026 5.568 175 HA ALA 21 HA ALA 21 10.366 0.268 5.993 176 HB1 ALA 21 3HB ALA 21 12.161 0.459 3.569 177 HB2 ALA 21 1HB ALA 21 10.527 1.112 3.702 178 HB3 ALA 21 2HB ALA 21 10.786 -0.632 3.752 179 HA PRO 22 HA PRO 22 13.108 -2.539 8.027 180 HB2 PRO 22 2HB PRO 22 11.688 -4.867 7.664 181 HB3 PRO 22 3HB PRO 22 11.281 -3.636 8.865 182 HG2 PRO 22 2HG PRO 22 10.121 -4.066 6.128 183 HG3 PRO 22 3HG PRO 22 9.284 -3.718 7.656 184 HD2 PRO 22 2HD PRO 22 9.725 -1.793 5.843 185 HD3 PRO 22 3HD PRO 22 9.835 -1.458 7.583 186 H ALA 23 H ALA 23 11.846 -3.688 4.883 187 HA ALA 23 HA ALA 23 14.481 -4.934 4.366 188 HB1 ALA 23 3HB ALA 23 12.723 -6.600 4.704 189 HB2 ALA 23 1HB ALA 23 13.335 -6.638 3.051 190 HB3 ALA 23 2HB ALA 23 11.780 -5.878 3.399 191 H GLY 24 H GLY 24 13.044 -2.239 3.574 192 HA2 GLY 24 2HA GLY 24 13.044 -0.813 1.766 193 HA3 GLY 24 3HA GLY 24 14.308 -1.833 1.097 194 H LEU 25 H LEU 25 10.780 -1.530 1.405 195 HA LEU 25 HA LEU 25 10.374 -3.452 -0.766 196 HG LEU 25 HG LEU 25 9.497 -4.820 1.250 197 HB2 LEU 25 2HB LEU 25 8.326 -2.049 0.966 198 HB3 LEU 25 3HB LEU 25 7.994 -3.325 -0.187 199 HD11 LEU 25 1HD1 LEU 25 9.066 -2.583 3.231 200 HD12 LEU 25 2HD1 LEU 25 10.610 -3.083 2.541 201 HD13 LEU 25 3HD1 LEU 25 9.727 -4.176 3.604 202 HD21 LEU 25 3HD2 LEU 25 6.923 -3.780 2.442 203 HD22 LEU 25 1HD2 LEU 25 7.689 -5.326 2.809 204 HD23 LEU 25 2HD2 LEU 25 7.061 -5.016 1.192 205 H THR 26 H THR 26 8.901 -2.966 -2.539 206 HA THR 26 HA THR 26 9.453 -0.727 -4.051 207 HB THR 26 HB THR 26 7.344 -1.186 -5.313 208 HG1 THR 26 HG1 THR 26 6.235 -3.187 -4.510 209 HG21 THR 26 3HG2 THR 26 9.360 -2.455 -5.856 210 HG22 THR 26 1HG2 THR 26 7.931 -3.476 -6.015 211 HG23 THR 26 2HG2 THR 26 8.975 -3.635 -4.604 212 H ILE 27 H ILE 27 6.665 -1.192 -1.904 213 HA ILE 27 HA ILE 27 5.224 1.096 -2.296 214 HB ILE 27 HB ILE 27 4.513 -0.703 -0.806 215 HG12 ILE 27 2HG1 ILE 27 4.614 1.974 0.622 216 HG13 ILE 27 3HG1 ILE 27 3.443 1.524 -0.612 217 HG21 ILE 27 1HG2 ILE 27 6.635 -1.174 0.291 218 HG22 ILE 27 2HG2 ILE 27 5.376 -0.875 1.486 219 HG23 ILE 27 3HG2 ILE 27 6.567 0.375 1.131 220 HD11 ILE 27 3HD1 ILE 27 2.463 1.346 1.581 221 HD12 ILE 27 1HD1 ILE 27 3.752 0.260 2.102 222 HD13 ILE 27 2HD1 ILE 27 2.609 -0.258 0.862 223 H GLY 28 H GLY 28 8.325 0.864 -0.706 224 HA2 GLY 28 2HA GLY 28 8.322 3.340 0.666 225 HA3 GLY 28 3HA GLY 28 9.748 2.458 0.142 226 H SER 29 H SER 29 9.237 2.490 -2.654 227 HA SER 29 HA SER 29 10.192 5.109 -3.333 228 HG SER 29 HG SER 29 11.582 3.320 -3.700 229 HB2 SER 29 2HB SER 29 9.329 2.800 -5.101 230 HB3 SER 29 3HB SER 29 10.103 4.272 -5.689 231 H ASP 30 H ASP 30 7.141 3.366 -3.921 232 HA ASP 30 HA ASP 30 5.750 5.364 -5.277 233 HB2 ASP 30 2HB ASP 30 4.746 3.290 -3.312 234 HB3 ASP 30 3HB ASP 30 3.692 4.276 -4.324 235 H LEU 31 H LEU 31 5.997 4.809 -1.766 236 HA LEU 31 HA LEU 31 4.198 6.740 -0.907 237 HG LEU 31 HG LEU 31 5.578 7.746 1.689 238 HB2 LEU 31 2HB LEU 31 5.225 4.976 0.512 239 HB3 LEU 31 3HB LEU 31 6.720 5.895 0.527 240 HD11 LEU 31 1HD1 LEU 31 3.313 7.415 2.592 241 HD12 LEU 31 2HD1 LEU 31 3.174 5.919 1.667 242 HD13 LEU 31 3HD1 LEU 31 3.332 7.465 0.830 243 HD21 LEU 31 3HD2 LEU 31 5.271 6.632 3.853 244 HD22 LEU 31 1HD2 LEU 31 6.704 6.037 3.014 245 HD23 LEU 31 2HD2 LEU 31 5.232 5.065 3.043 246 H GLU 32 H GLU 32 7.752 7.145 -1.267 247 HA GLU 32 HA GLU 32 7.936 9.792 -0.441 248 HB2 GLU 32 2HB GLU 32 9.553 8.431 -2.611 249 HB3 GLU 32 3HB GLU 32 9.985 9.947 -1.833 250 HG2 GLU 32 2HG GLU 32 10.108 8.741 0.336 251 HG3 GLU 32 3HG GLU 32 9.812 7.234 -0.529 252 H ARG 33 H ARG 33 7.323 8.573 -3.729 253 HA ARG 33 HA ARG 33 7.201 11.115 -4.981 254 HE ARG 33 HE ARG 33 9.986 8.242 -8.073 255 HB2 ARG 33 2HB ARG 33 6.004 8.465 -5.824 256 HB3 ARG 33 3HB ARG 33 6.116 9.888 -6.853 257 HG2 ARG 33 2HG ARG 33 8.544 9.809 -6.749 258 HG3 ARG 33 3HG ARG 33 8.470 8.433 -5.646 259 HD2 ARG 33 2HD ARG 33 7.370 7.101 -7.389 260 HD3 ARG 33 3HD ARG 33 7.440 8.479 -8.488 261 HH11 ARG 33 1HH1 ARG 33 7.738 5.643 -8.281 262 HH12 ARG 33 2HH1 ARG 33 8.909 4.521 -8.876 263 HH21 ARG 33 1HH2 ARG 33 11.490 6.795 -8.864 264 HH22 ARG 33 2HH2 ARG 33 11.008 5.175 -9.237 265 H VAL 34 H VAL 34 4.626 8.959 -3.773 266 HA VAL 34 HA VAL 34 2.428 10.532 -4.522 267 HB VAL 34 HB VAL 34 2.710 8.613 -2.196 268 HG11 VAL 34 1HG1 VAL 34 0.841 10.133 -1.791 269 HG12 VAL 34 2HG1 VAL 34 0.259 8.512 -2.171 270 HG13 VAL 34 3HG1 VAL 34 0.192 9.783 -3.394 271 HG21 VAL 34 3HG2 VAL 34 3.068 7.585 -4.383 272 HG22 VAL 34 1HG2 VAL 34 1.538 8.247 -4.958 273 HG23 VAL 34 2HG2 VAL 34 1.549 7.036 -3.675 274 H ILE 35 H ILE 35 4.335 10.554 -1.524 275 HA ILE 35 HA ILE 35 2.865 12.517 -0.143 276 HB ILE 35 HB ILE 35 5.795 11.783 0.047 277 HG12 ILE 35 2HG1 ILE 35 3.419 11.062 1.792 278 HG13 ILE 35 3HG1 ILE 35 4.220 9.985 0.653 279 HG21 ILE 35 1HG2 ILE 35 4.177 13.528 1.910 280 HG22 ILE 35 2HG2 ILE 35 5.503 14.055 0.873 281 HG23 ILE 35 3HG2 ILE 35 5.816 12.951 2.212 282 HD11 ILE 35 3HD1 ILE 35 6.272 10.117 1.972 283 HD12 ILE 35 1HD1 ILE 35 4.914 9.519 2.925 284 HD13 ILE 35 2HD1 ILE 35 5.463 11.184 3.120 285 H SER 36 H SER 36 5.836 12.901 -2.118 286 HA SER 36 HA SER 36 6.090 15.678 -1.745 287 HG SER 36 HG SER 36 8.648 15.689 -4.209 288 HB2 SER 36 2HB SER 36 7.934 14.286 -2.563 289 HB3 SER 36 3HB SER 36 7.065 13.997 -4.069 290 H THR 37 H THR 37 4.208 13.868 -4.106 291 HA THR 37 HA THR 37 3.669 16.201 -5.750 292 HB THR 37 HB THR 37 2.187 14.689 -7.054 293 HG1 THR 37 HG1 THR 37 3.098 12.432 -5.697 294 HG21 THR 37 3HG2 THR 37 4.563 14.850 -7.631 295 HG22 THR 37 1HG2 THR 37 3.960 13.217 -7.913 296 HG23 THR 37 2HG2 THR 37 4.940 13.562 -6.486 297 H HIS 38 H HIS 38 1.835 14.228 -3.425 298 HA HIS 38 HA HIS 38 -0.588 15.773 -3.895 299 HD1 HIS 38 HD1 HIS 38 -3.324 13.518 -3.505 300 HD2 HIS 38 HD2 HIS 38 0.384 12.358 -4.997 301 HE1 HIS 38 HE1 HIS 38 -3.818 12.124 -5.533 302 HE2 HIS 38 HE2 HIS 38 -1.576 11.311 -6.325 303 HB2 HIS 38 2HB HIS 38 0.053 13.359 -2.217 304 HB3 HIS 38 3HB HIS 38 -1.468 14.221 -2.016 305 H THR 39 H THR 39 1.930 15.628 -1.418 306 HA THR 39 HA THR 39 0.309 17.461 0.251 307 HB THR 39 HB THR 39 1.309 16.670 2.220 308 HG1 THR 39 HG1 THR 39 3.196 15.211 0.657 309 HG21 THR 39 3HG2 THR 39 -0.291 15.057 1.346 310 HG22 THR 39 1HG2 THR 39 1.022 14.223 2.178 311 HG23 THR 39 2HG2 THR 39 0.983 14.271 0.414 312 H ARG 40 H ARG 40 1.665 18.831 1.736 313 HA ARG 40 HA ARG 40 3.531 20.403 0.217 314 HE ARG 40 HE ARG 40 3.946 24.762 0.657 315 HB2 ARG 40 2HB ARG 40 1.752 21.076 2.083 316 HB3 ARG 40 3HB ARG 40 3.103 20.776 3.165 317 HG2 ARG 40 2HG ARG 40 2.965 23.129 2.620 318 HG3 ARG 40 3HG ARG 40 4.441 22.437 1.937 319 HD2 ARG 40 2HD ARG 40 3.541 22.408 -0.247 320 HD3 ARG 40 3HD ARG 40 1.902 22.677 0.341 321 HH11 ARG 40 1HH1 ARG 40 0.911 23.689 -0.586 322 HH12 ARG 40 2HH1 ARG 40 0.481 25.257 -1.176 323 HH21 ARG 40 1HH2 ARG 40 3.357 26.773 -0.101 324 HH22 ARG 40 2HH2 ARG 40 1.842 26.970 -0.912 325 H ALA 41 H ALA 41 3.815 17.598 1.991 326 HA ALA 41 HA ALA 41 6.162 18.134 3.521 327 HB1 ALA 41 3HB ALA 41 4.927 15.494 2.743 328 HB2 ALA 41 1HB ALA 41 4.576 16.421 4.199 329 HB3 ALA 41 2HB ALA 41 6.179 15.728 3.963 330 H LYS 42 H LYS 42 8.182 16.929 3.280 331 HA LYS 42 HA LYS 42 8.932 16.221 0.546 332 HB2 LYS 42 2HB LYS 42 9.338 18.752 1.170 333 HB3 LYS 42 3HB LYS 42 10.710 18.117 2.067 334 HG2 LYS 42 2HG LYS 42 11.420 18.856 -0.117 335 HG3 LYS 42 3HG LYS 42 11.575 17.102 -0.005 336 HD2 LYS 42 2HD LYS 42 10.646 17.604 -2.154 337 HD3 LYS 42 3HD LYS 42 9.361 16.905 -1.174 338 HE2 LYS 42 2HE LYS 42 9.735 19.881 -1.524 339 HE3 LYS 42 3HE LYS 42 8.727 18.912 -2.591 340 HZ1 LYS 42 3HZ LYS 42 8.328 19.384 0.311 341 HZ2 LYS 42 1HZ LYS 42 7.443 18.249 -0.580 342 HZ3 LYS 42 2HZ LYS 42 7.339 19.890 -0.961 343 H VAL 43 H VAL 43 9.949 14.307 0.681 344 HA VAL 43 HA VAL 43 10.551 13.192 3.245 345 HB VAL 43 HB VAL 43 11.106 12.005 0.517 346 HG11 VAL 43 1HG1 VAL 43 12.342 10.894 2.310 347 HG12 VAL 43 2HG1 VAL 43 11.057 9.851 1.702 348 HG13 VAL 43 3HG1 VAL 43 10.852 10.700 3.236 349 HG21 VAL 43 3HG2 VAL 43 8.959 10.832 0.802 350 HG22 VAL 43 1HG2 VAL 43 8.744 12.582 0.753 351 HG23 VAL 43 2HG2 VAL 43 8.673 11.729 2.294 352 H VAL 44 H VAL 44 12.398 13.202 4.327 353 HA VAL 44 HA VAL 44 14.897 13.945 2.982 354 HB VAL 44 HB VAL 44 15.843 14.135 5.278 355 HG11 VAL 44 1HG1 VAL 44 14.950 16.106 4.184 356 HG12 VAL 44 2HG1 VAL 44 14.602 16.170 5.911 357 HG13 VAL 44 3HG1 VAL 44 13.330 15.733 4.769 358 HG21 VAL 44 3HG2 VAL 44 13.008 13.560 6.169 359 HG22 VAL 44 1HG2 VAL 44 14.329 14.085 7.216 360 HG23 VAL 44 2HG2 VAL 44 14.406 12.513 6.417 361 H ASN 45 H ASN 45 16.848 12.746 3.358 362 HA ASN 45 HA ASN 45 16.400 9.876 3.311 363 HB2 ASN 45 2HB ASN 45 17.868 11.016 1.654 364 HB3 ASN 45 3HB ASN 45 18.971 11.442 2.957 365 HD21 ASN 45 1HD2 ASN 45 17.678 8.842 1.040 366 HD22 ASN 45 2HD2 ASN 45 18.900 7.688 1.439 367 H LYS 46 H LYS 46 17.151 12.149 5.689 368 HA LYS 46 HA LYS 46 17.920 10.046 7.553 369 HB2 LYS 46 2HB LYS 46 19.815 11.295 8.465 370 HB3 LYS 46 3HB LYS 46 20.077 10.874 6.782 371 HG2 LYS 46 2HG LYS 46 19.113 13.582 7.678 372 HG3 LYS 46 3HG LYS 46 20.816 13.174 7.472 373 HD2 LYS 46 2HD LYS 46 20.294 12.577 5.089 374 HD3 LYS 46 3HD LYS 46 18.662 13.204 5.347 375 HE2 LYS 46 2HE LYS 46 20.089 14.876 4.286 376 HE3 LYS 46 3HE LYS 46 19.594 15.403 5.892 377 HZ1 LYS 46 3HZ LYS 46 21.752 14.701 6.738 378 HZ2 LYS 46 1HZ LYS 46 21.929 15.848 5.509 379 HZ3 LYS 46 2HZ LYS 46 22.224 14.212 5.192 380 H ALA 47 H ALA 47 17.533 10.538 9.760 381 HA ALA 47 HA ALA 47 15.171 12.170 10.020 382 HB1 ALA 47 3HB ALA 47 16.565 10.476 12.091 383 HB2 ALA 47 1HB ALA 47 15.308 9.918 10.984 384 HB3 ALA 47 2HB ALA 47 14.934 11.138 12.201 385 H GLU 48 H GLU 48 18.287 13.155 10.180 386 HA GLU 48 HA GLU 48 18.420 14.630 12.585 387 HB2 GLU 48 2HB GLU 48 20.233 15.850 11.602 388 HB3 GLU 48 3HB GLU 48 20.354 14.194 11.023 389 HG2 GLU 48 2HG GLU 48 19.353 14.844 8.900 390 HG3 GLU 48 3HG GLU 48 19.161 16.494 9.478 391 H LYS 49 H LYS 49 16.841 15.270 9.531 392 HA LYS 49 HA LYS 49 15.842 17.827 10.595 393 HB2 LYS 49 2HB LYS 49 17.701 18.054 8.834 394 HB3 LYS 49 3HB LYS 49 16.526 17.442 7.676 395 HG2 LYS 49 2HG LYS 49 16.665 19.895 7.657 396 HG3 LYS 49 3HG LYS 49 15.058 19.325 8.119 397 HD2 LYS 49 2HD LYS 49 15.597 19.686 10.477 398 HD3 LYS 49 3HD LYS 49 17.216 20.226 10.038 399 HE2 LYS 49 2HE LYS 49 16.298 22.145 8.881 400 HE3 LYS 49 3HE LYS 49 14.654 21.572 9.174 401 HZ1 LYS 49 3HZ LYS 49 16.604 22.346 11.278 402 HZ2 LYS 49 1HZ LYS 49 15.008 21.837 11.534 403 HZ3 LYS 49 2HZ LYS 49 15.314 23.294 10.737 404 H SER 50 H SER 50 14.246 15.901 11.084 405 HA SER 50 HA SER 50 12.127 16.069 9.038 406 HG SER 50 HG SER 50 12.359 12.709 11.203 407 HB2 SER 50 2HB SER 50 11.420 13.765 9.638 408 HB3 SER 50 3HB SER 50 13.047 13.801 8.958 409 H GLU 51 H GLU 51 10.062 16.418 9.813 410 HA GLU 51 HA GLU 51 9.798 17.168 12.610 411 HB2 GLU 51 2HB GLU 51 7.632 17.237 10.502 412 HB3 GLU 51 3HB GLU 51 7.697 18.141 12.008 413 HG2 GLU 51 2HG GLU 51 9.400 18.547 9.557 414 HG3 GLU 51 3HG GLU 51 8.146 19.618 10.172 415 H ALA 52 H ALA 52 8.833 14.579 10.470 416 HA ALA 52 HA ALA 52 7.858 13.027 12.747 417 HB1 ALA 52 3HB ALA 52 5.840 14.120 11.901 418 HB2 ALA 52 1HB ALA 52 5.780 12.378 11.625 419 HB3 ALA 52 2HB ALA 52 6.152 13.470 10.290 420 H ILE 53 H ILE 53 7.500 10.694 12.162 421 HA ILE 53 HA ILE 53 9.147 9.856 9.852 422 HB ILE 53 HB ILE 53 9.229 8.742 12.660 423 HG12 ILE 53 2HG1 ILE 53 11.340 9.939 10.842 424 HG13 ILE 53 3HG1 ILE 53 10.678 10.664 12.303 425 HG21 ILE 53 1HG2 ILE 53 10.479 7.562 10.172 426 HG22 ILE 53 2HG2 ILE 53 9.148 6.866 11.097 427 HG23 ILE 53 3HG2 ILE 53 10.747 7.003 11.826 428 HD11 ILE 53 3HD1 ILE 53 11.680 8.871 13.634 429 HD12 ILE 53 1HD1 ILE 53 12.887 9.758 12.704 430 HD13 ILE 53 2HD1 ILE 53 12.355 8.166 12.165 431 H ILE 54 H ILE 54 8.178 8.480 8.509 432 HA ILE 54 HA ILE 54 5.771 7.032 9.380 433 HB ILE 54 HB ILE 54 6.840 7.466 6.577 434 HG12 ILE 54 2HG1 ILE 54 4.527 8.781 8.038 435 HG13 ILE 54 3HG1 ILE 54 6.054 9.552 7.625 436 HG21 ILE 54 1HG2 ILE 54 4.663 6.605 5.833 437 HG22 ILE 54 2HG2 ILE 54 4.215 6.285 7.508 438 HG23 ILE 54 3HG2 ILE 54 5.546 5.397 6.766 439 HD11 ILE 54 3HD1 ILE 54 4.301 10.224 6.105 440 HD12 ILE 54 1HD1 ILE 54 3.993 8.541 5.677 441 HD13 ILE 54 2HD1 ILE 54 5.531 9.295 5.248 442 H GLN 55 H GLN 55 5.986 4.950 9.940 443 HA GLN 55 HA GLN 55 8.291 3.419 8.889 444 HB2 GLN 55 2HB GLN 55 8.398 3.967 11.313 445 HB3 GLN 55 3HB GLN 55 6.882 3.119 11.561 446 HG2 GLN 55 2HG GLN 55 9.262 1.708 10.401 447 HG3 GLN 55 3HG GLN 55 9.108 1.949 12.138 448 HE21 GLN 55 1HE2 GLN 55 9.149 -0.518 10.624 449 HE22 GLN 55 2HE2 GLN 55 7.670 -1.329 10.981 450 H ILE 56 H ILE 56 7.889 1.461 7.929 451 HA ILE 56 HA ILE 56 5.103 0.472 7.988 452 HB ILE 56 HB ILE 56 5.633 1.098 5.746 453 HG12 ILE 56 2HG1 ILE 56 5.835 -1.909 6.085 454 HG13 ILE 56 3HG1 ILE 56 4.356 -0.966 5.942 455 HG21 ILE 56 1HG2 ILE 56 7.552 0.229 4.499 456 HG22 ILE 56 2HG2 ILE 56 8.115 -0.612 5.945 457 HG23 ILE 56 3HG2 ILE 56 8.069 1.151 5.913 458 HD11 ILE 56 3HD1 ILE 56 4.979 -0.365 3.650 459 HD12 ILE 56 1HD1 ILE 56 4.855 -2.110 3.876 460 HD13 ILE 56 2HD1 ILE 56 6.441 -1.341 3.803 461 H VAL 57 H VAL 57 4.711 -1.513 8.785 462 HA VAL 57 HA VAL 57 6.936 -3.022 9.889 463 HB VAL 57 HB VAL 57 3.970 -3.631 10.052 464 HG11 VAL 57 1HG1 VAL 57 4.569 -5.007 11.977 465 HG12 VAL 57 2HG1 VAL 57 6.273 -4.610 11.750 466 HG13 VAL 57 3HG1 VAL 57 5.418 -5.556 10.531 467 HG21 VAL 57 3HG2 VAL 57 4.431 -1.428 10.994 468 HG22 VAL 57 1HG2 VAL 57 5.727 -2.103 11.985 469 HG23 VAL 57 2HG2 VAL 57 4.054 -2.579 12.277 470 H HIS 58 H HIS 58 4.163 -3.800 7.737 471 HA HIS 58 HA HIS 58 5.849 -5.575 6.160 472 HD1 HIS 58 HD1 HIS 58 7.002 -7.687 6.717 473 HD2 HIS 58 HD2 HIS 58 4.462 -7.705 9.999 474 HE1 HIS 58 HE1 HIS 58 8.303 -8.767 8.563 475 HE2 HIS 58 HE2 HIS 58 6.658 -8.991 10.446 476 HB2 HIS 58 2HB HIS 58 3.486 -6.616 7.736 477 HB3 HIS 58 3HB HIS 58 4.152 -7.463 6.344 478 H ALA 59 H ALA 59 5.012 -6.056 4.102 479 HA ALA 59 HA ALA 59 2.293 -5.302 3.407 480 HB1 ALA 59 3HB ALA 59 2.944 -3.844 1.554 481 HB2 ALA 59 1HB ALA 59 4.638 -3.992 2.020 482 HB3 ALA 59 2HB ALA 59 3.493 -3.191 3.096 483 H ILE 60 H ILE 60 1.942 -7.470 2.899 484 HA ILE 60 HA ILE 60 3.573 -8.605 0.697 485 HB ILE 60 HB ILE 60 2.151 -10.092 2.924 486 HG12 ILE 60 2HG1 ILE 60 4.556 -10.956 3.309 487 HG13 ILE 60 3HG1 ILE 60 5.072 -9.603 2.310 488 HG21 ILE 60 1HG2 ILE 60 3.657 -11.187 0.544 489 HG22 ILE 60 2HG2 ILE 60 1.929 -11.349 0.869 490 HG23 ILE 60 3HG2 ILE 60 3.101 -12.143 1.920 491 HD11 ILE 60 3HD1 ILE 60 4.073 -8.046 3.898 492 HD12 ILE 60 1HD1 ILE 60 5.249 -9.100 4.682 493 HD13 ILE 60 2HD1 ILE 60 3.525 -9.402 4.887 494 H ARG 61 H ARG 61 2.524 -8.920 -1.184 495 HA ARG 61 HA ARG 61 -0.413 -9.235 -1.152 496 HE ARG 61 HE ARG 61 0.572 -9.950 -5.224 497 HB2 ARG 61 2HB ARG 61 0.796 -7.418 -2.569 498 HB3 ARG 61 3HB ARG 61 1.243 -8.745 -3.628 499 HG2 ARG 61 2HG ARG 61 -1.589 -7.986 -2.916 500 HG3 ARG 61 3HG ARG 61 -0.748 -7.483 -4.378 501 HD2 ARG 61 2HD ARG 61 -1.369 -10.340 -3.605 502 HD3 ARG 61 3HD ARG 61 -2.280 -9.375 -4.762 503 HH11 ARG 61 1HH1 ARG 61 -2.724 -10.171 -6.235 504 HH12 ARG 61 2HH1 ARG 61 -2.323 -10.815 -7.791 505 HH21 ARG 61 1HH2 ARG 61 1.059 -10.796 -7.226 506 HH22 ARG 61 2HH2 ARG 61 -0.218 -11.176 -8.334 507 H GLU 62 H GLU 62 -0.702 -11.423 -0.808 508 HA GLU 62 HA GLU 62 0.523 -13.219 -2.806 509 HB2 GLU 62 2HB GLU 62 -0.007 -15.087 -1.315 510 HB3 GLU 62 3HB GLU 62 1.019 -13.907 -0.516 511 HG2 GLU 62 2HG GLU 62 -0.698 -13.174 0.881 512 HG3 GLU 62 3HG GLU 62 -1.955 -13.845 -0.155 513 H LYS 63 H LYS 63 -1.086 -15.260 -3.053 514 HA LYS 63 HA LYS 63 -3.798 -14.285 -3.543 515 HB2 LYS 63 2HB LYS 63 -3.679 -15.157 -5.900 516 HB3 LYS 63 3HB LYS 63 -2.735 -13.710 -5.588 517 HG2 LYS 63 2HG LYS 63 -0.788 -15.432 -5.200 518 HG3 LYS 63 3HG LYS 63 -1.812 -16.489 -6.172 519 HD2 LYS 63 2HD LYS 63 -0.817 -13.749 -6.984 520 HD3 LYS 63 3HD LYS 63 -0.170 -15.287 -7.553 521 HE2 LYS 63 2HE LYS 63 -3.033 -14.413 -7.961 522 HE3 LYS 63 3HE LYS 63 -1.748 -14.152 -9.139 523 HZ1 LYS 63 3HZ LYS 63 -3.018 -16.139 -9.637 524 HZ2 LYS 63 1HZ LYS 63 -2.633 -16.798 -8.126 525 HZ3 LYS 63 2HZ LYS 63 -1.417 -16.531 -9.266 526 H ARG 64 H ARG 64 -5.361 -15.814 -3.422 527 HA ARG 64 HA ARG 64 -4.656 -18.653 -3.284 528 HE ARG 64 HE ARG 64 -7.612 -15.473 0.838 529 HB2 ARG 64 2HB ARG 64 -5.729 -18.907 -1.073 530 HB3 ARG 64 3HB ARG 64 -4.321 -17.856 -0.999 531 HG2 ARG 64 2HG ARG 64 -5.909 -15.900 -1.159 532 HG3 ARG 64 3HG ARG 64 -7.223 -17.052 -0.928 533 HD2 ARG 64 2HD ARG 64 -6.115 -17.761 1.207 534 HD3 ARG 64 3HD ARG 64 -4.968 -16.439 0.982 535 HH11 ARG 64 1HH1 ARG 64 -5.263 -16.551 3.137 536 HH12 ARG 64 2HH1 ARG 64 -6.008 -15.684 4.438 537 HH21 ARG 64 1HH2 ARG 64 -8.532 -14.389 2.485 538 HH22 ARG 64 2HH2 ARG 64 -7.850 -14.475 4.076 539 H ILE 65 H ILE 65 -6.716 -20.012 -2.978 540 HA ILE 65 HA ILE 65 -8.583 -19.200 -4.956 541 HB ILE 65 HB ILE 65 -7.895 -21.631 -3.734 542 HG12 ILE 65 2HG1 ILE 65 -8.324 -21.332 -6.107 543 HG13 ILE 65 3HG1 ILE 65 -9.347 -22.621 -5.485 544 HG21 ILE 65 1HG2 ILE 65 -9.617 -21.350 -2.040 545 HG22 ILE 65 2HG2 ILE 65 -10.038 -22.664 -3.137 546 HG23 ILE 65 3HG2 ILE 65 -10.835 -21.098 -3.290 547 HD11 ILE 65 3HD1 ILE 65 -11.232 -21.037 -5.392 548 HD12 ILE 65 1HD1 ILE 65 -10.586 -21.245 -7.020 549 HD13 ILE 65 2HD1 ILE 65 -10.193 -19.797 -6.093 550 H LEU 66 H LEU 66 -10.651 -18.423 -4.831 551 HA LEU 66 HA LEU 66 -11.604 -17.580 -2.167 552 HG LEU 66 HG LEU 66 -14.159 -16.156 -3.282 553 HB2 LEU 66 2HB LEU 66 -11.195 -15.761 -3.761 554 HB3 LEU 66 3HB LEU 66 -12.301 -16.500 -4.904 555 HD11 LEU 66 1HD1 LEU 66 -12.887 -16.128 -1.214 556 HD12 LEU 66 2HD1 LEU 66 -13.818 -14.640 -1.384 557 HD13 LEU 66 3HD1 LEU 66 -12.082 -14.635 -1.704 558 HD21 LEU 66 3HD2 LEU 66 -13.782 -14.548 -5.070 559 HD22 LEU 66 1HD2 LEU 66 -12.638 -13.663 -4.060 560 HD23 LEU 66 2HD2 LEU 66 -14.343 -13.732 -3.612 561 H SER 67 H SER 67 -12.966 -18.640 -5.312 562 HA SER 67 HA SER 67 -14.977 -20.207 -3.823 563 HG SER 67 HG SER 67 -17.763 -19.311 -5.076 564 HB2 SER 67 2HB SER 67 -16.081 -18.152 -4.600 565 HB3 SER 67 3HB SER 67 -15.562 -18.486 -6.252 566 H LEU 68 H LEU 68 -15.967 -21.944 -5.079 567 HA LEU 68 HA LEU 68 -14.223 -22.945 -7.243 568 HG LEU 68 HG LEU 68 -13.185 -23.262 -4.372 569 HB2 LEU 68 2HB LEU 68 -15.285 -24.504 -4.880 570 HB3 LEU 68 3HB LEU 68 -14.494 -25.228 -6.268 571 HD11 LEU 68 1HD1 LEU 68 -12.895 -26.263 -4.566 572 HD12 LEU 68 2HD1 LEU 68 -13.659 -25.370 -3.249 573 HD13 LEU 68 3HD1 LEU 68 -11.929 -25.197 -3.544 574 HD21 LEU 68 3HD2 LEU 68 -12.258 -23.200 -6.641 575 HD22 LEU 68 1HD2 LEU 68 -12.011 -24.947 -6.591 576 HD23 LEU 68 2HD2 LEU 68 -11.113 -23.896 -5.496 577 H SER 69 H SER 69 -15.171 -24.293 -8.769 578 HA SER 69 HA SER 69 -18.101 -24.696 -8.622 579 HG SER 69 HG SER 69 -18.678 -22.855 -10.436 580 HB2 SER 69 2HB SER 69 -16.356 -24.311 -11.076 581 HB3 SER 69 3HB SER 69 -18.043 -24.817 -11.136 582 H GLU 70 H GLU 70 -18.890 -26.748 -9.280 583 HA GLU 70 HA GLU 70 -18.880 -29.023 -9.456 584 HB2 GLU 70 2HB GLU 70 -16.200 -28.546 -10.787 585 HB3 GLU 70 3HB GLU 70 -17.073 -30.072 -10.811 586 HG2 GLU 70 2HG GLU 70 -18.041 -27.473 -11.992 587 HG3 GLU 70 3HG GLU 70 -17.337 -28.815 -12.891 588 H SER 71 H SER 71 -17.367 -27.563 -7.185 589 HA SER 71 HA SER 71 -16.256 -28.085 -5.269 590 HG SER 71 HG SER 71 -16.511 -31.376 -3.890 591 HB2 SER 71 2HB SER 71 -17.825 -29.997 -5.191 592 HB3 SER 71 3HB SER 71 -16.688 -30.965 -6.125 593 H GLY 72 H GLY 72 -14.823 -27.933 -7.967 594 HA2 GLY 72 2HA GLY 72 -12.204 -28.706 -6.960 595 HA3 GLY 72 3HA GLY 72 -12.737 -29.611 -8.365 596 H ARG 73 H ARG 73 -14.047 -27.459 -9.714 597 HA ARG 73 HA ARG 73 -11.867 -26.336 -11.121 598 HE ARG 73 HE ARG 73 -12.721 -22.486 -13.574 599 HB2 ARG 73 2HB ARG 73 -13.875 -26.700 -12.330 600 HB3 ARG 73 3HB ARG 73 -14.840 -25.818 -11.158 601 HG2 ARG 73 2HG ARG 73 -14.614 -24.522 -13.176 602 HG3 ARG 73 3HG ARG 73 -13.761 -23.722 -11.857 603 HD2 ARG 73 2HD ARG 73 -11.643 -24.776 -12.711 604 HD3 ARG 73 3HD ARG 73 -12.562 -25.324 -14.116 605 HH11 ARG 73 1HH1 ARG 73 -11.061 -24.969 -15.308 606 HH12 ARG 73 2HH1 ARG 73 -10.427 -23.855 -16.474 607 HH21 ARG 73 1HH2 ARG 73 -11.895 -21.102 -15.078 608 HH22 ARG 73 2HH2 ARG 73 -10.896 -21.719 -16.352 609 H VAL 74 H VAL 74 -10.752 -24.493 -10.848 610 HA VAL 74 HA VAL 74 -11.212 -22.747 -8.630 611 HB VAL 74 HB VAL 74 -9.339 -22.454 -10.997 612 HG11 VAL 74 1HG1 VAL 74 -9.769 -20.278 -9.994 613 HG12 VAL 74 2HG1 VAL 74 -8.130 -20.811 -9.624 614 HG13 VAL 74 3HG1 VAL 74 -9.390 -20.918 -8.394 615 HG21 VAL 74 3HG2 VAL 74 -8.861 -24.433 -9.647 616 HG22 VAL 74 1HG2 VAL 74 -8.818 -23.445 -8.186 617 HG23 VAL 74 2HG2 VAL 74 -7.599 -23.220 -9.442 618 H ARG 75 H ARG 75 -12.728 -21.195 -8.570 619 HA ARG 75 HA ARG 75 -13.718 -19.966 -11.026 620 HE ARG 75 HE ARG 75 -16.839 -18.262 -9.094 621 HB2 ARG 75 2HB ARG 75 -14.619 -20.029 -8.180 622 HB3 ARG 75 3HB ARG 75 -15.130 -18.682 -9.181 623 HG2 ARG 75 2HG ARG 75 -16.112 -20.279 -10.782 624 HG3 ARG 75 3HG ARG 75 -15.665 -21.600 -9.697 625 HD2 ARG 75 2HD ARG 75 -18.046 -20.781 -9.490 626 HD3 ARG 75 3HD ARG 75 -17.118 -20.808 -7.989 627 HH11 ARG 75 1HH1 ARG 75 -19.369 -20.231 -7.806 628 HH12 ARG 75 2HH1 ARG 75 -20.271 -18.870 -7.233 629 HH21 ARG 75 1HH2 ARG 75 -17.969 -16.556 -8.301 630 HH22 ARG 75 2HH2 ARG 75 -19.486 -16.813 -7.507 631 H GLU 76 H GLU 76 -13.457 -18.180 -8.024 632 HA GLU 76 HA GLU 76 -11.769 -16.196 -9.382 633 HB2 GLU 76 2HB GLU 76 -13.611 -15.896 -6.996 634 HB3 GLU 76 3HB GLU 76 -12.565 -14.622 -7.603 635 HG2 GLU 76 2HG GLU 76 -14.645 -14.116 -8.509 636 HG3 GLU 76 3HG GLU 76 -13.790 -14.909 -9.829 637 H PHE 77 H PHE 77 -9.940 -15.402 -8.430 638 HA PHE 77 HA PHE 77 -8.847 -16.953 -6.178 639 HD1 PHE 77 HD1 PHE 77 -7.942 -18.935 -7.648 640 HD2 PHE 77 HD2 PHE 77 -4.969 -16.005 -6.796 641 HE1 PHE 77 HE1 PHE 77 -6.398 -20.710 -6.940 642 HE2 PHE 77 HE2 PHE 77 -3.423 -17.781 -6.082 643 HZ PHE 77 HZ PHE 77 -4.135 -20.133 -6.151 644 HB2 PHE 77 2HB PHE 77 -7.822 -16.504 -8.723 645 HB3 PHE 77 3HB PHE 77 -6.956 -15.330 -7.744 646 H GLU 78 H GLU 78 -8.715 -15.893 -4.285 647 HA GLU 78 HA GLU 78 -9.262 -13.077 -4.112 648 HB2 GLU 78 2HB GLU 78 -10.137 -14.657 -2.449 649 HB3 GLU 78 3HB GLU 78 -8.501 -15.069 -1.959 650 HG2 GLU 78 2HG GLU 78 -8.149 -12.826 -1.113 651 HG3 GLU 78 3HG GLU 78 -9.735 -12.328 -1.702 652 H LEU 79 H LEU 79 -7.694 -11.707 -4.738 653 HA LEU 79 HA LEU 79 -4.891 -12.172 -4.147 654 HG LEU 79 HG LEU 79 -6.734 -11.493 -6.807 655 HB2 LEU 79 2HB LEU 79 -6.179 -9.676 -5.267 656 HB3 LEU 79 3HB LEU 79 -4.481 -10.107 -5.335 657 HD11 LEU 79 1HD1 LEU 79 -5.646 -10.626 -8.817 658 HD12 LEU 79 2HD1 LEU 79 -4.452 -9.793 -7.820 659 HD13 LEU 79 3HD1 LEU 79 -6.149 -9.317 -7.748 660 HD21 LEU 79 3HD2 LEU 79 -5.009 -13.093 -6.124 661 HD22 LEU 79 1HD2 LEU 79 -3.769 -12.075 -6.860 662 HD23 LEU 79 2HD2 LEU 79 -4.998 -12.839 -7.869 663 H VAL 80 H VAL 80 -4.661 -12.110 -1.918 664 HA VAL 80 HA VAL 80 -5.779 -9.860 -0.434 665 HB VAL 80 HB VAL 80 -6.179 -11.990 0.570 666 HG11 VAL 80 1HG1 VAL 80 -4.399 -13.492 1.318 667 HG12 VAL 80 2HG1 VAL 80 -3.191 -12.431 0.590 668 HG13 VAL 80 3HG1 VAL 80 -4.361 -13.268 -0.432 669 HG21 VAL 80 3HG2 VAL 80 -5.774 -10.151 2.126 670 HG22 VAL 80 1HG2 VAL 80 -4.048 -10.516 2.134 671 HG23 VAL 80 2HG2 VAL 80 -5.199 -11.673 2.806 672 H TYR 81 H TYR 81 -4.658 -8.089 -0.116 673 HA TYR 81 HA TYR 81 -1.713 -8.199 0.040 674 HD1 TYR 81 HD2 TYR 81 -0.028 -7.046 -0.199 675 HD2 TYR 81 HD1 TYR 81 -2.522 -3.759 -1.240 676 HE1 TYR 81 HE2 TYR 81 1.908 -5.541 -0.058 677 HE2 TYR 81 HE1 TYR 81 -0.590 -2.246 -1.106 678 HH TYR 81 HH TYR 81 1.654 -2.217 0.075 679 HB2 TYR 81 2HB TYR 81 -2.635 -6.849 -1.826 680 HB3 TYR 81 3HB TYR 81 -3.510 -5.859 -0.666 681 H ARG 82 H ARG 82 -1.163 -8.323 2.144 682 HA ARG 82 HA ARG 82 -2.700 -6.861 4.156 683 HE ARG 82 HE ARG 82 -4.600 -9.600 7.053 684 HB2 ARG 82 2HB ARG 82 -0.938 -9.222 4.172 685 HB3 ARG 82 3HB ARG 82 -0.729 -8.164 5.561 686 HG2 ARG 82 2HG ARG 82 -3.348 -9.360 4.659 687 HG3 ARG 82 3HG ARG 82 -2.353 -9.945 5.996 688 HD2 ARG 82 2HD ARG 82 -2.626 -7.803 7.149 689 HD3 ARG 82 3HD ARG 82 -3.594 -7.194 5.806 690 HH11 ARG 82 1HH1 ARG 82 -4.651 -6.162 7.022 691 HH12 ARG 82 2HH1 ARG 82 -6.175 -6.066 7.828 692 HH21 ARG 82 1HH2 ARG 82 -6.559 -9.469 8.070 693 HH22 ARG 82 2HH2 ARG 82 -7.264 -7.921 8.382 694 H VAL 83 H VAL 83 -2.160 -4.837 4.584 695 HA VAL 83 HA VAL 83 0.704 -4.098 4.681 696 HB VAL 83 HB VAL 83 -1.639 -2.232 4.222 697 HG11 VAL 83 1HG1 VAL 83 1.341 -1.760 4.059 698 HG12 VAL 83 2HG1 VAL 83 0.246 -1.134 5.294 699 HG13 VAL 83 3HG1 VAL 83 0.093 -0.591 3.622 700 HG21 VAL 83 3HG2 VAL 83 0.354 -3.313 2.223 701 HG22 VAL 83 1HG2 VAL 83 -0.865 -2.080 1.899 702 HG23 VAL 83 2HG2 VAL 83 -1.359 -3.723 2.308 703 H ALA 84 H ALA 84 1.496 -3.525 6.596 704 HA ALA 84 HA ALA 84 -0.266 -2.372 8.654 705 HB1 ALA 84 3HB ALA 84 1.765 -4.550 9.185 706 HB2 ALA 84 1HB ALA 84 0.013 -4.761 9.186 707 HB3 ALA 84 2HB ALA 84 0.778 -3.729 10.394 708 H ALA 85 H ALA 85 0.638 -0.658 9.731 709 HA ALA 85 HA ALA 85 3.510 -0.143 9.511 710 HB1 ALA 85 3HB ALA 85 1.467 1.789 8.407 711 HB2 ALA 85 1HB ALA 85 2.541 0.776 7.443 712 HB3 ALA 85 2HB ALA 85 3.212 2.039 8.477 713 H ARG 86 H ARG 86 3.945 2.169 10.495 714 HA ARG 86 HA ARG 86 2.133 2.823 12.701 715 HE ARG 86 HE ARG 86 3.366 -1.118 15.554 716 HB2 ARG 86 2HB ARG 86 5.064 2.143 13.004 717 HB3 ARG 86 3HB ARG 86 4.184 3.074 14.208 718 HG2 ARG 86 2HG ARG 86 2.627 1.177 14.498 719 HG3 ARG 86 3HG ARG 86 3.585 0.244 13.346 720 HD2 ARG 86 2HD ARG 86 5.490 0.270 14.800 721 HD3 ARG 86 3HD ARG 86 4.718 1.432 15.880 722 HH11 ARG 86 1HH1 ARG 86 5.579 0.753 17.421 723 HH12 ARG 86 2HH1 ARG 86 5.258 -0.125 18.873 724 HH21 ARG 86 1HH2 ARG 86 3.007 -2.264 17.409 725 HH22 ARG 86 2HH2 ARG 86 3.840 -1.832 18.863 726 H LEU 87 H LEU 87 2.444 4.970 13.572 727 HA LEU 87 HA LEU 87 3.877 6.790 11.733 728 HG LEU 87 HG LEU 87 2.682 8.557 10.713 729 HB2 LEU 87 2HB LEU 87 1.250 6.678 11.829 730 HB3 LEU 87 3HB LEU 87 1.444 7.618 13.292 731 HD11 LEU 87 1HD1 LEU 87 0.338 8.073 10.209 732 HD12 LEU 87 2HD1 LEU 87 0.650 9.811 10.215 733 HD13 LEU 87 3HD1 LEU 87 -0.167 9.057 11.586 734 HD21 LEU 87 3HD2 LEU 87 3.346 9.724 12.744 735 HD22 LEU 87 1HD2 LEU 87 1.655 9.992 13.170 736 HD23 LEU 87 2HD2 LEU 87 2.340 10.775 11.744 737 H LEU 88 H LEU 88 5.672 7.477 12.782 738 HA LEU 88 HA LEU 88 5.559 7.727 15.724 739 HG LEU 88 HG LEU 88 6.376 5.343 15.898 740 HB2 LEU 88 2HB LEU 88 7.915 7.065 13.949 741 HB3 LEU 88 3HB LEU 88 8.008 7.300 15.683 742 HD11 LEU 88 1HD1 LEU 88 6.328 3.763 14.034 743 HD12 LEU 88 2HD1 LEU 88 7.184 4.929 13.023 744 HD13 LEU 88 3HD1 LEU 88 5.562 5.294 13.613 745 HD21 LEU 88 3HD2 LEU 88 9.114 4.827 14.737 746 HD22 LEU 88 1HD2 LEU 88 8.153 3.678 15.670 747 HD23 LEU 88 2HD2 LEU 88 8.747 5.153 16.431 748 H ASP 89 H ASP 89 7.233 9.153 16.666 749 HA ASP 89 HA ASP 89 7.144 11.807 15.596 750 HB2 ASP 89 2HB ASP 89 7.031 11.552 17.972 751 HB3 ASP 89 3HB ASP 89 8.473 10.544 18.004 752 H ALA 90 H ALA 90 9.203 13.135 15.423 753 HA ALA 90 HA ALA 90 10.821 12.240 13.351 754 HB1 ALA 90 3HB ALA 90 12.184 14.206 13.759 755 HB2 ALA 90 1HB ALA 90 11.472 14.390 15.362 756 HB3 ALA 90 2HB ALA 90 10.473 14.597 13.925 757 H HIS 91 H HIS 91 11.223 11.687 16.774 758 HA HIS 91 HA HIS 91 13.894 10.538 16.271 759 HD1 HIS 91 HD1 HIS 91 14.687 13.008 20.047 760 HD2 HIS 91 HD2 HIS 91 14.462 12.811 15.907 761 HE1 HIS 91 HE1 HIS 91 16.022 14.958 19.210 762 HE2 HIS 91 HE2 HIS 91 15.639 14.957 16.725 763 HB2 HIS 91 2HB HIS 91 12.580 11.515 18.804 764 HB3 HIS 91 3HB HIS 91 14.046 10.538 18.824 765 H ASN 92 H ASN 92 11.368 9.214 15.570 766 HA ASN 92 HA ASN 92 10.653 7.067 15.425 767 HB2 ASN 92 2HB ASN 92 13.121 6.403 17.052 768 HB3 ASN 92 3HB ASN 92 12.153 5.256 16.131 769 HD21 ASN 92 1HD2 ASN 92 12.287 5.272 13.878 770 HD22 ASN 92 2HD2 ASN 92 13.566 6.079 13.048 771 H ALA 93 H ALA 93 9.970 8.764 17.867 772 HA ALA 93 HA ALA 93 9.335 6.764 19.875 773 HB1 ALA 93 3HB ALA 93 8.268 8.603 21.082 774 HB2 ALA 93 1HB ALA 93 8.463 9.654 19.677 775 HB3 ALA 93 2HB ALA 93 9.882 9.064 20.541 776 H GLU 94 H GLU 94 7.549 5.479 19.819 777 HA GLU 94 HA GLU 94 5.638 5.821 17.698 778 HB2 GLU 94 2HB GLU 94 4.609 3.732 18.568 779 HB3 GLU 94 3HB GLU 94 6.324 3.582 18.213 780 HG2 GLU 94 2HG GLU 94 6.818 3.808 20.620 781 HG3 GLU 94 3HG GLU 94 5.087 3.898 20.949 782 H LEU 95 H LEU 95 4.481 7.690 18.071 783 HA LEU 95 HA LEU 95 2.858 7.894 20.491 784 HG LEU 95 HG LEU 95 3.841 11.419 19.922 785 HB2 LEU 95 2HB LEU 95 3.323 9.742 18.162 786 HB3 LEU 95 3HB LEU 95 2.006 10.021 19.283 787 HD11 LEU 95 1HD1 LEU 95 2.567 10.435 21.752 788 HD12 LEU 95 2HD1 LEU 95 4.248 10.695 22.212 789 HD13 LEU 95 3HD1 LEU 95 3.684 9.073 21.811 790 HD21 LEU 95 3HD2 LEU 95 5.647 10.198 18.815 791 HD22 LEU 95 1HD2 LEU 95 5.547 8.929 20.036 792 HD23 LEU 95 2HD2 LEU 95 6.050 10.557 20.493 793 H ALA 96 H ALA 96 2.479 7.083 17.098 794 HA ALA 96 HA ALA 96 -0.325 6.372 17.640 795 HB1 ALA 96 3HB ALA 96 -1.059 7.321 15.517 796 HB2 ALA 96 1HB ALA 96 0.577 7.896 15.192 797 HB3 ALA 96 2HB ALA 96 -0.342 8.564 16.542 798 H SER 97 H SER 97 0.080 4.156 17.611 799 HA SER 97 HA SER 97 1.408 2.809 15.491 800 HG SER 97 HG SER 97 1.165 2.147 18.558 801 HB2 SER 97 2HB SER 97 -0.677 1.818 17.457 802 HB3 SER 97 3HB SER 97 0.168 0.773 16.315 803 H LEU 98 H LEU 98 0.767 3.243 13.468 804 HA LEU 98 HA LEU 98 -1.817 3.924 12.646 805 HG LEU 98 HG LEU 98 -1.536 2.814 9.611 806 HB2 LEU 98 2HB LEU 98 0.232 4.492 11.409 807 HB3 LEU 98 3HB LEU 98 0.465 2.802 11.011 808 HD11 LEU 98 1HD1 LEU 98 -2.876 4.419 10.886 809 HD12 LEU 98 2HD1 LEU 98 -2.784 4.862 9.183 810 HD13 LEU 98 3HD1 LEU 98 -1.806 5.725 10.372 811 HD21 LEU 98 3HD2 LEU 98 -0.756 4.298 7.850 812 HD22 LEU 98 1HD2 LEU 98 0.611 3.488 8.617 813 HD23 LEU 98 2HD2 LEU 98 0.252 5.175 9.004 814 H GLN 99 H GLN 99 -3.370 2.782 11.438 815 HA GLN 99 HA GLN 99 -3.844 0.157 12.489 816 HB2 GLN 99 2HB GLN 99 -6.022 0.357 11.430 817 HB3 GLN 99 3HB GLN 99 -5.619 1.846 12.274 818 HG2 GLN 99 2HG GLN 99 -4.940 2.851 10.124 819 HG3 GLN 99 3HG GLN 99 -5.432 1.372 9.301 820 HE21 GLN 99 1HE2 GLN 99 -7.746 1.039 11.123 821 HE22 GLN 99 2HE2 GLN 99 -8.911 2.189 10.585 822 H GLU 100 H GLU 100 -5.172 -1.259 10.674 823 HA GLU 100 HA GLU 100 -3.095 -2.135 8.814 824 HB2 GLU 100 2HB GLU 100 -4.451 -4.174 8.601 825 HB3 GLU 100 3HB GLU 100 -4.127 -3.806 10.293 826 HG2 GLU 100 2HG GLU 100 -6.360 -2.839 10.519 827 HG3 GLU 100 3HG GLU 100 -6.688 -3.189 8.824 828 H ILE 101 H ILE 101 -3.488 -2.500 6.588 829 HA ILE 101 HA ILE 101 -5.887 -1.169 5.480 830 HB ILE 101 HB ILE 101 -3.253 -1.721 4.085 831 HG12 ILE 101 2HG1 ILE 101 -4.433 0.872 5.128 832 HG13 ILE 101 3HG1 ILE 101 -3.033 0.032 5.788 833 HG21 ILE 101 1HG2 ILE 101 -4.155 -0.343 2.265 834 HG22 ILE 101 2HG2 ILE 101 -5.682 -0.187 3.134 835 HG23 ILE 101 3HG2 ILE 101 -5.158 -1.766 2.547 836 HD11 ILE 101 3HD1 ILE 101 -3.219 1.280 3.054 837 HD12 ILE 101 1HD1 ILE 101 -1.813 0.443 3.714 838 HD13 ILE 101 2HD1 ILE 101 -2.373 1.943 4.452 839 H ARG 102 H ARG 102 -7.416 -2.530 4.792 840 HA ARG 102 HA ARG 102 -6.731 -5.325 4.200 841 HE ARG 102 HE ARG 102 -11.108 -3.992 5.224 842 HB2 ARG 102 2HB ARG 102 -9.516 -4.183 4.392 843 HB3 ARG 102 3HB ARG 102 -9.002 -5.848 4.624 844 HG2 ARG 102 2HG ARG 102 -8.043 -5.334 6.749 845 HG3 ARG 102 3HG ARG 102 -8.238 -3.598 6.481 846 HD2 ARG 102 2HD ARG 102 -10.395 -5.662 6.936 847 HD3 ARG 102 3HD ARG 102 -9.996 -4.270 7.946 848 HH11 ARG 102 1HH1 ARG 102 -11.144 -3.145 8.571 849 HH12 ARG 102 2HH1 ARG 102 -12.338 -1.917 8.346 850 HH21 ARG 102 1HH2 ARG 102 -12.629 -2.410 4.970 851 HH22 ARG 102 2HH2 ARG 102 -13.157 -1.505 6.346 852 H LEU 103 H LEU 103 -6.104 -5.452 2.052 853 HA LEU 103 HA LEU 103 -8.058 -4.462 0.067 854 HG LEU 103 HG LEU 103 -5.741 -2.565 1.004 855 HB2 LEU 103 2HB LEU 103 -5.049 -4.582 -0.197 856 HB3 LEU 103 3HB LEU 103 -6.148 -4.198 -1.510 857 HD11 LEU 103 1HD1 LEU 103 -5.018 -1.982 -1.866 858 HD12 LEU 103 2HD1 LEU 103 -3.888 -2.396 -0.576 859 HD13 LEU 103 3HD1 LEU 103 -4.802 -0.891 -0.497 860 HD21 LEU 103 3HD2 LEU 103 -7.544 -2.048 -1.363 861 HD22 LEU 103 1HD2 LEU 103 -7.236 -0.928 -0.035 862 HD23 LEU 103 2HD2 LEU 103 -8.063 -2.455 0.274 863 H THR 104 H THR 104 -9.131 -6.187 -0.682 864 HA THR 104 HA THR 104 -7.548 -8.500 -1.623 865 HB THR 104 HB THR 104 -9.560 -9.939 -1.237 866 HG1 THR 104 HG1 THR 104 -11.276 -9.173 -0.085 867 HG21 THR 104 3HG2 THR 104 -8.443 -8.584 1.223 868 HG22 THR 104 1HG2 THR 104 -7.722 -9.946 0.366 869 HG23 THR 104 2HG2 THR 104 -9.267 -10.144 1.194 870 H ARG 105 H ARG 105 -7.531 -8.571 -3.759 871 HA ARG 105 HA ARG 105 -9.747 -7.382 -5.286 872 HE ARG 105 HE ARG 105 -9.469 -5.767 -7.237 873 HB2 ARG 105 2HB ARG 105 -7.026 -8.295 -6.256 874 HB3 ARG 105 3HB ARG 105 -8.229 -7.437 -7.208 875 HG2 ARG 105 2HG ARG 105 -6.724 -6.368 -4.822 876 HG3 ARG 105 3HG ARG 105 -6.487 -5.919 -6.511 877 HD2 ARG 105 2HD ARG 105 -8.929 -5.392 -4.814 878 HD3 ARG 105 3HD ARG 105 -7.771 -4.202 -5.404 879 HH11 ARG 105 1HH1 ARG 105 -8.212 -2.746 -6.147 880 HH12 ARG 105 2HH1 ARG 105 -8.984 -1.847 -7.406 881 HH21 ARG 105 1HH2 ARG 105 -10.463 -4.594 -8.843 882 HH22 ARG 105 2HH2 ARG 105 -10.247 -2.880 -8.899 883 H ILE 106 H ILE 106 -10.739 -8.505 -7.044 884 HA ILE 106 HA ILE 106 -10.887 -11.400 -6.581 885 HB ILE 106 HB ILE 106 -12.718 -9.674 -8.268 886 HG12 ILE 106 2HG1 ILE 106 -12.795 -8.926 -5.937 887 HG13 ILE 106 3HG1 ILE 106 -14.286 -9.759 -6.358 888 HG21 ILE 106 1HG2 ILE 106 -12.783 -12.033 -8.865 889 HG22 ILE 106 2HG2 ILE 106 -14.281 -11.559 -8.064 890 HG23 ILE 106 3HG2 ILE 106 -13.058 -12.473 -7.178 891 HD11 ILE 106 3HD1 ILE 106 -13.545 -10.363 -4.134 892 HD12 ILE 106 1HD1 ILE 106 -11.998 -10.913 -4.777 893 HD13 ILE 106 2HD1 ILE 106 -13.484 -11.762 -5.206 894 H LEU 107 H LEU 107 -9.513 -12.561 -7.797 895 HA LEU 107 HA LEU 107 -8.818 -11.716 -10.517 896 HG LEU 107 HG LEU 107 -5.632 -13.698 -10.148 897 HB2 LEU 107 2HB LEU 107 -7.156 -12.495 -8.719 898 HB3 LEU 107 3HB LEU 107 -7.760 -14.108 -9.009 899 HD11 LEU 107 1HD1 LEU 107 -6.203 -14.486 -12.364 900 HD12 LEU 107 2HD1 LEU 107 -7.883 -14.003 -12.130 901 HD13 LEU 107 3HD1 LEU 107 -7.192 -15.294 -11.148 902 HD21 LEU 107 3HD2 LEU 107 -5.467 -12.133 -12.006 903 HD22 LEU 107 1HD2 LEU 107 -5.849 -11.301 -10.500 904 HD23 LEU 107 2HD2 LEU 107 -7.114 -11.579 -11.698 905 HA PRO 108 HA PRO 108 -11.980 -14.768 -11.824 906 HB2 PRO 108 2HB PRO 108 -12.237 -13.869 -14.370 907 HB3 PRO 108 3HB PRO 108 -13.019 -13.073 -12.999 908 HG2 PRO 108 2HG PRO 108 -10.480 -12.338 -14.418 909 HG3 PRO 108 3HG PRO 108 -11.803 -11.285 -13.878 910 HD2 PRO 108 2HD PRO 108 -9.483 -11.574 -12.481 911 HD3 PRO 108 3HD PRO 108 -11.039 -11.233 -11.700 912 H PHE 109 H PHE 109 -11.128 -16.771 -12.110 913 HA PHE 109 HA PHE 109 -8.700 -17.191 -13.611 914 HD1 PHE 109 HD1 PHE 109 -6.912 -18.863 -12.021 915 HD2 PHE 109 HD2 PHE 109 -10.035 -21.043 -13.928 916 HE1 PHE 109 HE1 PHE 109 -5.286 -20.564 -12.738 917 HE2 PHE 109 HE2 PHE 109 -8.413 -22.745 -14.648 918 HZ PHE 109 HZ PHE 109 -6.036 -22.505 -14.055 919 HB2 PHE 109 2HB PHE 109 -9.271 -18.430 -11.512 920 HB3 PHE 109 3HB PHE 109 -10.546 -19.260 -12.396 921 H LEU 110 H LEU 110 -8.701 -17.285 -15.753 922 HA LEU 110 HA LEU 110 -10.806 -18.790 -17.168 923 HG LEU 110 HG LEU 110 -11.349 -15.838 -16.309 924 HB2 LEU 110 2HB LEU 110 -9.593 -16.159 -18.049 925 HB3 LEU 110 3HB LEU 110 -10.731 -17.113 -18.983 926 HD11 LEU 110 1HD1 LEU 110 -12.666 -14.219 -17.562 927 HD12 LEU 110 2HD1 LEU 110 -12.149 -14.950 -19.082 928 HD13 LEU 110 3HD1 LEU 110 -10.971 -14.148 -18.042 929 HD21 LEU 110 3HD2 LEU 110 -12.684 -17.830 -16.740 930 HD22 LEU 110 1HD2 LEU 110 -13.137 -17.204 -18.326 931 HD23 LEU 110 2HD2 LEU 110 -13.679 -16.381 -16.862 932 H ASP 111 H ASP 111 -10.060 -20.170 -18.734 933 HA ASP 111 HA ASP 111 -7.176 -20.542 -18.891 934 HB2 ASP 111 2HB ASP 111 -9.349 -22.210 -20.181 935 HB3 ASP 111 3HB ASP 111 -7.676 -22.679 -19.883 936 H ALA 112 H ALA 112 -9.859 -19.832 -21.103 937 HA ALA 112 HA ALA 112 -8.216 -19.899 -23.461 938 HB1 ALA 112 3HB ALA 112 -10.588 -20.485 -23.534 939 HB2 ALA 112 1HB ALA 112 -10.223 -19.154 -24.634 940 HB3 ALA 112 2HB ALA 112 -11.017 -18.833 -23.091 941 H GLN 113 H GLN 113 -9.402 -17.358 -21.325 942 HA GLN 113 HA GLN 113 -8.660 -15.225 -23.124 943 HB2 GLN 113 2HB GLN 113 -9.568 -15.132 -20.240 944 HB3 GLN 113 3HB GLN 113 -9.366 -13.730 -21.285 945 HG2 GLN 113 2HG GLN 113 -11.295 -16.001 -21.743 946 HG3 GLN 113 3HG GLN 113 -11.707 -14.412 -21.101 947 HE21 GLN 113 1HE2 GLN 113 -12.574 -15.845 -23.539 948 HE22 GLN 113 2HE2 GLN 113 -12.244 -14.760 -24.842 949 H GLU 114 H GLU 114 -6.386 -16.046 -23.267 950 HA GLU 114 HA GLU 114 -4.550 -15.790 -21.152 951 HB2 GLU 114 2HB GLU 114 -2.817 -15.721 -22.914 952 HB3 GLU 114 3HB GLU 114 -3.987 -17.008 -23.174 953 HG2 GLU 114 2HG GLU 114 -5.126 -15.646 -24.853 954 HG3 GLU 114 3HG GLU 114 -3.974 -14.342 -24.577 955 H LEU 115 H LEU 115 -5.727 -13.402 -23.496 956 HA LEU 115 HA LEU 115 -4.048 -11.259 -22.855 957 HG LEU 115 HG LEU 115 -6.060 -10.249 -25.813 958 HB2 LEU 115 2HB LEU 115 -6.939 -11.301 -23.726 959 HB3 LEU 115 3HB LEU 115 -6.064 -9.806 -23.477 960 HD11 LEU 115 1HD1 LEU 115 -3.968 -9.373 -24.923 961 HD12 LEU 115 2HD1 LEU 115 -3.683 -10.409 -26.321 962 HD13 LEU 115 3HD1 LEU 115 -3.364 -11.016 -24.696 963 HD21 LEU 115 3HD2 LEU 115 -4.949 -12.986 -25.200 964 HD22 LEU 115 1HD2 LEU 115 -5.216 -12.310 -26.805 965 HD23 LEU 115 2HD2 LEU 115 -6.587 -12.633 -25.745 966 H ALA 116 H ALA 116 -7.263 -11.995 -21.496 967 HA ALA 116 HA ALA 116 -7.350 -10.104 -19.480 968 HB1 ALA 116 3HB ALA 116 -8.450 -12.915 -19.406 969 HB2 ALA 116 1HB ALA 116 -9.250 -11.506 -20.102 970 HB3 ALA 116 2HB ALA 116 -8.954 -11.584 -18.365 971 H LYS 117 H LYS 117 -5.892 -13.357 -19.371 972 HA LYS 117 HA LYS 117 -5.133 -13.258 -16.646 973 HB2 LYS 117 2HB LYS 117 -3.988 -14.862 -18.935 974 HB3 LYS 117 3HB LYS 117 -3.572 -15.111 -17.244 975 HG2 LYS 117 2HG LYS 117 -6.359 -15.355 -18.374 976 HG3 LYS 117 3HG LYS 117 -5.261 -16.706 -18.110 977 HD2 LYS 117 2HD LYS 117 -6.211 -16.878 -16.077 978 HD3 LYS 117 3HD LYS 117 -5.269 -15.456 -15.647 979 HE2 LYS 117 2HE LYS 117 -8.059 -15.317 -16.801 980 HE3 LYS 117 3HE LYS 117 -7.727 -15.361 -15.073 981 HZ1 LYS 117 3HZ LYS 117 -6.409 -13.323 -15.356 982 HZ2 LYS 117 1HZ LYS 117 -8.033 -13.102 -15.777 983 HZ3 LYS 117 2HZ LYS 117 -6.862 -13.263 -16.980 984 H ALA 118 H ALA 118 -3.599 -11.988 -19.523 985 HA ALA 118 HA ALA 118 -1.200 -11.205 -18.060 986 HB1 ALA 118 3HB ALA 118 -0.479 -10.220 -20.181 987 HB2 ALA 118 1HB ALA 118 -2.061 -10.558 -20.884 988 HB3 ALA 118 2HB ALA 118 -1.006 -11.888 -20.403 989 H ALA 119 H ALA 119 -4.267 -10.086 -18.088 990 HA ALA 119 HA ALA 119 -3.553 -7.230 -17.997 991 HB1 ALA 119 3HB ALA 119 -5.925 -6.773 -18.308 992 HB2 ALA 119 1HB ALA 119 -6.282 -8.501 -18.249 993 HB3 ALA 119 2HB ALA 119 -5.328 -7.842 -19.577 994 H GLU 120 H GLU 120 -5.839 -9.422 -16.276 995 HA GLU 120 HA GLU 120 -6.467 -7.773 -14.171 996 HB2 GLU 120 2HB GLU 120 -6.317 -10.767 -14.320 997 HB3 GLU 120 3HB GLU 120 -6.750 -9.971 -12.816 998 HG2 GLU 120 2HG GLU 120 -8.795 -10.468 -13.763 999 HG3 GLU 120 3HG GLU 120 -8.558 -8.778 -14.199 1000 H GLU 121 H GLU 121 -3.805 -10.190 -14.079 1001 HA GLU 121 HA GLU 121 -3.025 -9.593 -11.442 1002 HB2 GLU 121 2HB GLU 121 -1.866 -11.136 -13.685 1003 HB3 GLU 121 3HB GLU 121 -0.720 -10.589 -12.469 1004 HG2 GLU 121 2HG GLU 121 -3.224 -12.150 -11.841 1005 HG3 GLU 121 3HG GLU 121 -1.637 -12.877 -12.082 1006 H GLU 122 H GLU 122 -2.599 -7.650 -14.189 1007 HA GLU 122 HA GLU 122 -0.522 -6.093 -12.794 1008 HB2 GLU 122 2HB GLU 122 -0.185 -6.489 -15.244 1009 HB3 GLU 122 3HB GLU 122 -1.672 -5.599 -15.558 1010 HG2 GLU 122 2HG GLU 122 -0.587 -3.662 -14.291 1011 HG3 GLU 122 3HG GLU 122 0.920 -4.562 -14.432 1012 H MET 123 H MET 123 -3.665 -5.601 -14.422 1013 HA MET 123 HA MET 123 -4.173 -2.997 -13.610 1014 HB2 MET 123 2HB MET 123 -6.136 -5.245 -14.110 1015 HB3 MET 123 3HB MET 123 -6.583 -3.550 -13.973 1016 HG2 MET 123 2HG MET 123 -5.276 -3.008 -15.934 1017 HG3 MET 123 3HG MET 123 -4.711 -4.677 -16.048 1018 HE1 MET 123 3HE MET 123 -5.496 -4.592 -18.633 1019 HE2 MET 123 1HE MET 123 -6.129 -2.964 -18.419 1020 HE3 MET 123 2HE MET 123 -7.147 -4.216 -19.131 1021 H LEU 124 H LEU 124 -5.302 -5.986 -11.995 1022 HA LEU 124 HA LEU 124 -6.515 -4.642 -9.808 1023 HG LEU 124 HG LEU 124 -7.250 -7.075 -11.694 1024 HB2 LEU 124 2HB LEU 124 -5.520 -7.493 -9.994 1025 HB3 LEU 124 3HB LEU 124 -6.586 -6.869 -8.748 1026 HD11 LEU 124 1HD1 LEU 124 -8.233 -8.683 -9.333 1027 HD12 LEU 124 2HD1 LEU 124 -7.172 -9.255 -10.621 1028 HD13 LEU 124 3HD1 LEU 124 -8.837 -8.805 -10.987 1029 HD21 LEU 124 3HD2 LEU 124 -9.525 -6.440 -11.014 1030 HD22 LEU 124 1HD2 LEU 124 -8.359 -5.160 -10.676 1031 HD23 LEU 124 2HD2 LEU 124 -8.956 -6.179 -9.365 1032 H TYR 125 H TYR 125 -3.244 -5.630 -10.447 1033 HA TYR 125 HA TYR 125 -2.372 -5.562 -7.700 1034 HD1 TYR 125 HD1 TYR 125 -0.350 -4.972 -6.818 1035 HD2 TYR 125 HD2 TYR 125 0.708 -8.085 -9.526 1036 HE1 TYR 125 HE1 TYR 125 1.330 -5.789 -5.223 1037 HE2 TYR 125 HE2 TYR 125 2.389 -8.906 -7.937 1038 HH TYR 125 HH TYR 125 3.712 -8.087 -6.065 1039 HB2 TYR 125 2HB TYR 125 -1.391 -6.853 -9.785 1040 HB3 TYR 125 3HB TYR 125 -0.476 -5.372 -10.026 1041 H LYS 126 H LYS 126 -1.916 -3.445 -10.536 1042 HA LYS 126 HA LYS 126 -0.408 -1.457 -9.196 1043 HB2 LYS 126 2HB LYS 126 -0.716 -0.119 -11.204 1044 HB3 LYS 126 3HB LYS 126 -0.381 -1.785 -11.652 1045 HG2 LYS 126 2HG LYS 126 -2.978 -1.995 -11.777 1046 HG3 LYS 126 3HG LYS 126 -2.931 -0.236 -11.886 1047 HD2 LYS 126 2HD LYS 126 -1.537 -2.179 -13.741 1048 HD3 LYS 126 3HD LYS 126 -2.998 -1.262 -14.105 1049 HE2 LYS 126 2HE LYS 126 -1.692 0.835 -13.829 1050 HE3 LYS 126 3HE LYS 126 -0.239 -0.138 -13.595 1051 HZ1 LYS 126 3HZ LYS 126 -0.576 -1.076 -15.813 1052 HZ2 LYS 126 1HZ LYS 126 -0.412 0.608 -15.874 1053 HZ3 LYS 126 2HZ LYS 126 -1.938 -0.101 -16.032 1054 H ASP 127 H ASP 127 -3.873 -1.762 -9.909 1055 HA ASP 127 HA ASP 127 -4.721 0.719 -8.875 1056 HB2 ASP 127 2HB ASP 127 -6.099 -0.864 -10.263 1057 HB3 ASP 127 3HB ASP 127 -6.251 -1.904 -8.852 1058 H MET 128 H MET 128 -4.247 -2.432 -7.359 1059 HA MET 128 HA MET 128 -5.236 -1.722 -4.788 1060 HB2 MET 128 2HB MET 128 -5.207 -4.019 -5.570 1061 HB3 MET 128 3HB MET 128 -3.456 -3.990 -5.695 1062 HG2 MET 128 2HG MET 128 -3.204 -3.931 -3.336 1063 HG3 MET 128 3HG MET 128 -4.926 -3.624 -3.098 1064 HE1 MET 128 3HE MET 128 -3.512 -7.589 -4.982 1065 HE2 MET 128 1HE MET 128 -2.437 -6.207 -4.765 1066 HE3 MET 128 2HE MET 128 -3.800 -6.102 -5.883 1067 H GLN 129 H GLN 129 -1.894 -2.012 -6.063 1068 HA GLN 129 HA GLN 129 -0.574 -1.246 -3.693 1069 HB2 GLN 129 2HB GLN 129 0.232 -0.979 -6.595 1070 HB3 GLN 129 3HB GLN 129 1.293 -0.524 -5.270 1071 HG2 GLN 129 2HG GLN 129 0.170 -3.277 -5.764 1072 HG3 GLN 129 3HG GLN 129 1.811 -2.747 -6.126 1073 HE21 GLN 129 1HE2 GLN 129 1.995 -1.155 -3.653 1074 HE22 GLN 129 2HE2 GLN 129 2.198 -2.303 -2.379 1075 H LYS 130 H LYS 130 -1.706 0.700 -6.447 1076 HA LYS 130 HA LYS 130 -0.830 3.196 -5.494 1077 HB2 LYS 130 2HB LYS 130 -1.519 2.874 -7.808 1078 HB3 LYS 130 3HB LYS 130 -3.165 2.528 -7.299 1079 HG2 LYS 130 2HG LYS 130 -3.484 4.791 -6.559 1080 HG3 LYS 130 3HG LYS 130 -1.782 5.167 -6.830 1081 HD2 LYS 130 2HD LYS 130 -3.542 4.225 -9.080 1082 HD3 LYS 130 3HD LYS 130 -3.512 5.919 -8.598 1083 HE2 LYS 130 2HE LYS 130 -1.982 5.479 -10.465 1084 HE3 LYS 130 3HE LYS 130 -1.122 6.033 -9.031 1085 HZ1 LYS 130 3HZ LYS 130 -0.396 3.820 -8.591 1086 HZ2 LYS 130 1HZ LYS 130 -0.043 4.164 -10.206 1087 HZ3 LYS 130 2HZ LYS 130 -1.364 3.182 -9.824 1088 H ASP 131 H ASP 131 -3.939 1.503 -5.035 1089 HA ASP 131 HA ASP 131 -5.229 3.473 -3.526 1090 HB2 ASP 131 2HB ASP 131 -6.309 1.404 -4.428 1091 HB3 ASP 131 3HB ASP 131 -5.495 0.472 -3.174 1092 H ALA 132 H ALA 132 -3.354 0.659 -2.350 1093 HA ALA 132 HA ALA 132 -3.458 1.082 0.359 1094 HB1 ALA 132 3HB ALA 132 -1.060 0.087 -1.179 1095 HB2 ALA 132 1HB ALA 132 -2.444 -0.888 -0.685 1096 HB3 ALA 132 2HB ALA 132 -1.384 -0.181 0.535 1097 H VAL 133 H VAL 133 -0.993 2.460 -1.853 1098 HA VAL 133 HA VAL 133 0.373 3.860 0.211 1099 HB VAL 133 HB VAL 133 1.430 3.246 -1.953 1100 HG11 VAL 133 1HG1 VAL 133 1.087 4.650 -3.928 1101 HG12 VAL 133 2HG1 VAL 133 -0.196 5.522 -3.091 1102 HG13 VAL 133 3HG1 VAL 133 -0.396 3.811 -3.469 1103 HG21 VAL 133 3HG2 VAL 133 2.751 5.299 -2.194 1104 HG22 VAL 133 1HG2 VAL 133 2.458 4.917 -0.497 1105 HG23 VAL 133 2HG2 VAL 133 1.532 6.193 -1.285 1106 H GLN 134 H GLN 134 -2.245 4.799 -1.998 1107 HA GLN 134 HA GLN 134 -2.351 7.536 -1.184 1108 HB2 GLN 134 2HB GLN 134 -4.489 5.777 -2.412 1109 HB3 GLN 134 3HB GLN 134 -4.643 7.512 -2.180 1110 HG2 GLN 134 2HG GLN 134 -2.575 6.157 -3.907 1111 HG3 GLN 134 3HG GLN 134 -4.057 6.912 -4.486 1112 HE21 GLN 134 1HE2 GLN 134 -1.305 7.528 -5.161 1113 HE22 GLN 134 2HE2 GLN 134 -1.073 9.186 -4.751 1114 H GLN 135 H GLN 135 -3.678 4.570 0.117 1115 HA GLN 135 HA GLN 135 -5.525 5.715 1.949 1116 HB2 GLN 135 2HB GLN 135 -4.038 3.077 2.105 1117 HB3 GLN 135 3HB GLN 135 -5.389 3.534 3.133 1118 HG2 GLN 135 2HG GLN 135 -5.570 3.321 0.136 1119 HG3 GLN 135 3HG GLN 135 -5.941 1.997 1.235 1120 HE21 GLN 135 1HE2 GLN 135 -8.048 1.938 0.435 1121 HE22 GLN 135 2HE2 GLN 135 -9.230 3.105 0.912 1122 H ILE 136 H ILE 136 -2.206 4.462 2.422 1123 HA ILE 136 HA ILE 136 -1.779 5.282 5.040 1124 HB ILE 136 HB ILE 136 0.248 5.301 2.781 1125 HG12 ILE 136 2HG1 ILE 136 -0.424 3.149 4.811 1126 HG13 ILE 136 3HG1 ILE 136 -0.855 3.112 3.104 1127 HG21 ILE 136 1HG2 ILE 136 0.700 5.224 5.773 1128 HG22 ILE 136 2HG2 ILE 136 1.015 6.600 4.717 1129 HG23 ILE 136 3HG2 ILE 136 1.951 5.117 4.533 1130 HD11 ILE 136 3HD1 ILE 136 1.070 1.711 3.556 1131 HD12 ILE 136 1HD1 ILE 136 1.944 3.093 4.219 1132 HD13 ILE 136 2HD1 ILE 136 1.510 3.060 2.510 1133 H LEU 137 H LEU 137 -1.164 7.107 2.046 1134 HA LEU 137 HA LEU 137 -0.320 9.537 3.072 1135 HG LEU 137 HG LEU 137 -1.771 11.513 1.456 1136 HB2 LEU 137 2HB LEU 137 -0.433 8.932 0.664 1137 HB3 LEU 137 3HB LEU 137 -2.179 9.088 0.728 1138 HD11 LEU 137 1HD1 LEU 137 0.577 11.306 2.027 1139 HD12 LEU 137 2HD1 LEU 137 0.364 12.481 0.733 1140 HD13 LEU 137 3HD1 LEU 137 0.971 10.868 0.364 1141 HD21 LEU 137 3HD2 LEU 137 -1.532 12.270 -0.858 1142 HD22 LEU 137 1HD2 LEU 137 -2.646 10.909 -0.736 1143 HD23 LEU 137 2HD2 LEU 137 -1.009 10.656 -1.340 1144 H ARG 138 H ARG 138 -3.636 8.442 2.475 1145 HA ARG 138 HA ARG 138 -4.948 10.805 3.306 1146 HE ARG 138 HE ARG 138 -7.244 9.252 0.582 1147 HB2 ARG 138 2HB ARG 138 -5.842 8.953 1.834 1148 HB3 ARG 138 3HB ARG 138 -6.075 7.999 3.291 1149 HG2 ARG 138 2HG ARG 138 -7.691 9.589 4.128 1150 HG3 ARG 138 3HG ARG 138 -7.372 10.676 2.772 1151 HD2 ARG 138 2HD ARG 138 -8.618 7.924 2.653 1152 HD3 ARG 138 3HD ARG 138 -9.405 9.468 2.318 1153 HH11 ARG 138 1HH1 ARG 138 -10.237 7.627 1.132 1154 HH12 ARG 138 2HH1 ARG 138 -10.377 7.121 -0.514 1155 HH21 ARG 138 1HH2 ARG 138 -7.433 8.578 -1.507 1156 HH22 ARG 138 2HH2 ARG 138 -8.813 7.646 -1.989 1157 H GLN 139 H GLN 139 -3.929 7.918 5.039 1158 HA GLN 139 HA GLN 139 -5.304 8.495 7.474 1159 HB2 GLN 139 2HB GLN 139 -2.948 6.697 6.865 1160 HB3 GLN 139 3HB GLN 139 -3.741 6.773 8.434 1161 HG2 GLN 139 2HG GLN 139 -5.790 5.935 7.517 1162 HG3 GLN 139 3HG GLN 139 -5.163 6.050 5.874 1163 HE21 GLN 139 1HE2 GLN 139 -6.196 3.737 7.383 1164 HE22 GLN 139 2HE2 GLN 139 -4.935 2.563 7.334 1165 H VAL 140 H VAL 140 -1.930 8.962 6.419 1166 HA VAL 140 HA VAL 140 -0.939 10.133 8.769 1167 HB VAL 140 HB VAL 140 -0.065 10.622 5.908 1168 HG11 VAL 140 1HG1 VAL 140 0.778 12.384 7.355 1169 HG12 VAL 140 2HG1 VAL 140 2.093 11.306 6.884 1170 HG13 VAL 140 3HG1 VAL 140 1.388 11.186 8.496 1171 HG21 VAL 140 3HG2 VAL 140 0.039 8.266 6.530 1172 HG22 VAL 140 1HG2 VAL 140 0.952 8.672 7.983 1173 HG23 VAL 140 2HG2 VAL 140 1.664 8.938 6.391 1174 H SER 141 H SER 141 -2.367 11.663 5.879 1175 HA SER 141 HA SER 141 -2.186 14.334 6.863 1176 HG SER 141 HG SER 141 -3.658 12.299 4.035 1177 HB2 SER 141 2HB SER 141 -3.789 14.879 5.025 1178 HB3 SER 141 3HB SER 141 -2.398 13.944 4.477 1179 H ALA 142 H ALA 142 -4.498 11.776 7.370 1180 HA ALA 142 HA ALA 142 -6.547 13.487 8.467 1181 HB1 ALA 142 3HB ALA 142 -7.118 11.340 7.426 1182 HB2 ALA 142 1HB ALA 142 -7.669 11.414 9.101 1183 HB3 ALA 142 2HB ALA 142 -6.224 10.491 8.687 1184 H PHE 143 H PHE 143 -3.874 11.565 9.768 1185 HA PHE 143 HA PHE 143 -4.634 11.551 12.463 1186 HD1 PHE 143 HD1 PHE 143 -3.042 10.370 14.518 1187 HD2 PHE 143 HD2 PHE 143 -2.805 8.754 10.586 1188 HE1 PHE 143 HE1 PHE 143 -3.532 8.131 15.410 1189 HE2 PHE 143 HE2 PHE 143 -3.301 6.518 11.474 1190 HZ PHE 143 HZ PHE 143 -3.663 6.200 13.887 1191 HB2 PHE 143 2HB PHE 143 -2.163 10.992 10.974 1192 HB3 PHE 143 3HB PHE 143 -1.880 11.564 12.615 1193 H THR 144 H THR 144 -3.003 14.089 10.630 1194 HA THR 144 HA THR 144 -2.187 15.649 12.846 1195 HB THR 144 HB THR 144 -1.370 16.123 10.566 1196 HG1 THR 144 HG1 THR 144 -2.756 18.323 11.767 1197 HG21 THR 144 3HG2 THR 144 -4.144 17.230 10.080 1198 HG22 THR 144 1HG2 THR 144 -3.454 15.801 9.315 1199 HG23 THR 144 2HG2 THR 144 -2.765 17.392 8.992 1200 H SER 145 H SER 145 -5.296 15.196 11.341 1201 HA SER 145 HA SER 145 -6.537 17.358 12.867 1202 HG SER 145 HG SER 145 -7.695 16.676 9.473 1203 HB2 SER 145 2HB SER 145 -7.820 15.254 11.087 1204 HB3 SER 145 3HB SER 145 -8.627 16.670 11.759 1205 H ALA 146 H ALA 146 -6.914 13.815 12.598 1206 HA ALA 146 HA ALA 146 -7.117 13.554 15.475 1207 HB1 ALA 146 3HB ALA 146 -9.432 14.095 14.848 1208 HB2 ALA 146 1HB ALA 146 -9.290 12.460 15.492 1209 HB3 ALA 146 2HB ALA 146 -9.454 12.712 13.754 1210 H GLY 147 H GLY 147 -8.049 11.565 12.618 1211 HA2 GLY 147 2HA GLY 147 -6.792 9.827 11.658 1212 HA3 GLY 147 3HA GLY 147 -5.674 9.905 13.005 1213 H LEU 148 H LEU 148 -7.249 9.438 15.180 1214 HA LEU 148 HA LEU 148 -7.552 6.645 15.173 1215 HG LEU 148 HG LEU 148 -10.147 8.512 17.175 1216 HB2 LEU 148 2HB LEU 148 -8.349 6.826 17.399 1217 HB3 LEU 148 3HB LEU 148 -7.146 8.081 17.185 1218 HD11 LEU 148 1HD1 LEU 148 -8.092 9.224 19.266 1219 HD12 LEU 148 2HD1 LEU 148 -9.291 7.936 19.389 1220 HD13 LEU 148 3HD1 LEU 148 -9.811 9.619 19.314 1221 HD21 LEU 148 3HD2 LEU 148 -9.024 10.135 15.752 1222 HD22 LEU 148 1HD2 LEU 148 -7.894 10.521 17.053 1223 HD23 LEU 148 2HD2 LEU 148 -9.609 10.901 17.228 1224 H GLU 149 H GLU 149 -9.529 8.791 13.700 1225 HA GLU 149 HA GLU 149 -12.148 8.135 14.365 1226 HB2 GLU 149 2HB GLU 149 -11.045 9.049 11.698 1227 HB3 GLU 149 3HB GLU 149 -12.716 9.201 12.233 1228 HG2 GLU 149 2HG GLU 149 -12.163 10.806 13.867 1229 HG3 GLU 149 3HG GLU 149 -10.442 10.449 13.752 1230 H HIS 150 H HIS 150 -9.923 6.457 12.172 1231 HA HIS 150 HA HIS 150 -12.046 4.848 11.019 1232 HD1 HIS 150 HD1 HIS 150 -8.775 2.935 8.445 1233 HD2 HIS 150 HD2 HIS 150 -12.682 4.253 8.949 1234 HE1 HIS 150 HE1 HIS 150 -10.084 1.878 6.589 1235 HE2 HIS 150 HE2 HIS 150 -12.392 2.851 6.797 1236 HB2 HIS 150 2HB HIS 150 -9.763 5.626 9.939 1237 HB3 HIS 150 3HB HIS 150 -9.151 4.149 10.672 1238 H HIS 151 H HIS 151 -10.127 4.687 13.806 1239 HA HIS 151 HA HIS 151 -10.301 3.378 15.626 1240 HD1 HIS 151 HD1 HIS 151 -12.554 3.253 17.666 1241 HD2 HIS 151 HD2 HIS 151 -12.375 -0.399 15.686 1242 HE1 HIS 151 HE1 HIS 151 -12.909 1.511 19.433 1243 HE2 HIS 151 HE2 HIS 151 -12.665 -0.688 18.244 1244 HB2 HIS 151 2HB HIS 151 -12.712 3.425 15.073 1245 HB3 HIS 151 3HB HIS 151 -12.509 1.939 14.151 1246 H HIS 152 H HIS 152 -11.093 0.818 13.221 1247 HA HIS 152 HA HIS 152 -9.910 -1.133 14.856 1248 HD1 HIS 152 HD1 HIS 152 -10.729 -3.859 14.728 1249 HD2 HIS 152 HD2 HIS 152 -9.089 -3.300 10.954 1250 HE1 HIS 152 HE1 HIS 152 -9.580 -6.015 14.170 1251 HE2 HIS 152 HE2 HIS 152 -8.409 -5.562 11.996 1252 HB2 HIS 152 2HB HIS 152 -11.662 -1.741 13.314 1253 HB3 HIS 152 3HB HIS 152 -10.665 -1.286 11.934 1254 H HIS 153 H HIS 153 -7.994 -2.077 15.007 1255 HA HIS 153 HA HIS 153 -5.993 -1.740 12.870 1256 HD1 HIS 153 HD1 HIS 153 -4.874 -3.269 16.604 1257 HD2 HIS 153 HD2 HIS 153 -6.306 0.619 16.965 1258 HE1 HIS 153 HE1 HIS 153 -5.513 -3.007 19.013 1259 HE2 HIS 153 HE2 HIS 153 -6.449 -0.683 19.195 1260 HB2 HIS 153 2HB HIS 153 -4.219 -1.441 14.608 1261 HB3 HIS 153 3HB HIS 153 -5.352 -0.098 14.530 1262 H HIS 154 H HIS 154 -4.098 -3.342 13.251 1263 HA HIS 154 HA HIS 154 -5.073 -5.958 13.338 1264 HD1 HIS 154 HD1 HIS 154 -1.224 -6.668 15.243 1265 HD2 HIS 154 HD2 HIS 154 -1.649 -2.935 13.465 1266 HE1 HIS 154 HE1 HIS 154 0.516 -5.217 16.310 1267 HE2 HIS 154 HE2 HIS 154 0.085 -2.921 15.387 1268 HB2 HIS 154 2HB HIS 154 -2.787 -6.702 13.260 1269 HB3 HIS 154 3HB HIS 154 -2.910 -5.242 12.286 1270 H HIS 155 H HIS 155 -4.954 -7.633 14.880 1271 HA HIS 155 HA HIS 155 -4.359 -6.809 17.653 1272 HD1 HIS 155 HD1 HIS 155 -6.756 -10.188 18.629 1273 HD2 HIS 155 HD2 HIS 155 -6.352 -6.307 20.056 1274 HE1 HIS 155 HE1 HIS 155 -7.035 -10.354 21.117 1275 HE2 HIS 155 HE2 HIS 155 -6.975 -7.977 21.932 1276 HB2 HIS 155 2HB HIS 155 -6.802 -6.757 17.263 1277 HB3 HIS 155 3HB HIS 155 -6.754 -8.450 16.781 Start of MODEL 2 1 HA MET 1 HA MET 1 -9.507 29.762 -7.025 2 H1 MET 1 1H MET 1 -11.218 27.710 -5.744 3 H2 MET 1 2H MET 1 -9.674 28.140 -5.223 4 H3 MET 1 3H MET 1 -9.883 27.426 -6.739 5 HB2 MET 1 2HB MET 1 -12.412 29.012 -7.476 6 HB3 MET 1 3HB MET 1 -11.583 30.357 -8.251 7 HG2 MET 1 2HG MET 1 -10.895 27.440 -8.568 8 HG3 MET 1 3HG MET 1 -11.763 28.436 -9.736 9 HE1 MET 1 3HE MET 1 -10.197 31.201 -9.657 10 HE2 MET 1 1HE MET 1 -10.682 30.375 -11.138 11 HE3 MET 1 2HE MET 1 -9.020 30.933 -10.942 12 H GLY 2 H GLY 2 -11.125 31.886 -7.015 13 HA2 GLY 2 2HA GLY 2 -12.064 33.551 -5.709 14 HA3 GLY 2 3HA GLY 2 -12.354 32.359 -4.450 15 H PHE 3 H PHE 3 -10.580 31.806 -3.029 16 HA PHE 3 HA PHE 3 -8.768 34.044 -2.533 17 HD1 PHE 3 HD1 PHE 3 -9.233 35.035 0.135 18 HD2 PHE 3 HD2 PHE 3 -11.638 31.618 -0.711 19 HE1 PHE 3 HE1 PHE 3 -11.168 36.139 1.185 20 HE2 PHE 3 HE2 PHE 3 -13.573 32.719 0.338 21 HZ PHE 3 HZ PHE 3 -13.341 34.979 1.286 22 HB2 PHE 3 2HB PHE 3 -9.265 31.506 -0.944 23 HB3 PHE 3 3HB PHE 3 -8.233 32.837 -0.433 24 H LYS 4 H LYS 4 -6.466 33.274 -1.700 25 HA LYS 4 HA LYS 4 -5.253 31.829 -3.905 26 HB2 LYS 4 2HB LYS 4 -4.235 33.889 -2.925 27 HB3 LYS 4 3HB LYS 4 -3.924 32.989 -1.445 28 HG2 LYS 4 2HG LYS 4 -2.491 31.433 -2.720 29 HG3 LYS 4 3HG LYS 4 -2.776 32.392 -4.174 30 HD2 LYS 4 2HD LYS 4 -0.640 32.988 -3.189 31 HD3 LYS 4 3HD LYS 4 -1.760 34.345 -3.064 32 HE2 LYS 4 2HE LYS 4 -2.214 33.765 -0.732 33 HE3 LYS 4 3HE LYS 4 -1.120 32.386 -0.854 34 HZ1 LYS 4 3HZ LYS 4 -0.354 35.236 -1.166 35 HZ2 LYS 4 1HZ LYS 4 0.700 33.918 -1.283 36 HZ3 LYS 4 2HZ LYS 4 -0.048 34.276 0.190 37 H LEU 5 H LEU 5 -6.702 29.949 -2.996 38 HA LEU 5 HA LEU 5 -4.883 28.147 -1.534 39 HG LEU 5 HG LEU 5 -7.261 28.270 1.321 40 HB2 LEU 5 2HB LEU 5 -7.860 28.454 -1.124 41 HB3 LEU 5 3HB LEU 5 -7.005 27.006 -0.647 42 HD11 LEU 5 1HD1 LEU 5 -4.981 28.841 1.994 43 HD12 LEU 5 2HD1 LEU 5 -4.467 28.777 0.306 44 HD13 LEU 5 3HD1 LEU 5 -5.050 27.317 1.108 45 HD21 LEU 5 3HD2 LEU 5 -6.648 30.618 1.569 46 HD22 LEU 5 1HD2 LEU 5 -7.880 30.411 0.325 47 HD23 LEU 5 2HD2 LEU 5 -6.202 30.696 -0.134 48 H ARG 6 H ARG 6 -4.189 26.841 -3.137 49 HA ARG 6 HA ARG 6 -5.492 26.250 -5.519 50 HE ARG 6 HE ARG 6 -1.639 25.493 -6.581 51 HB2 ARG 6 2HB ARG 6 -3.089 25.887 -5.103 52 HB3 ARG 6 3HB ARG 6 -3.479 24.529 -4.057 53 HG2 ARG 6 2HG ARG 6 -4.485 23.359 -5.977 54 HG3 ARG 6 3HG ARG 6 -4.044 24.716 -7.017 55 HD2 ARG 6 2HD ARG 6 -2.162 22.904 -5.501 56 HD3 ARG 6 3HD ARG 6 -2.403 22.952 -7.248 57 HH11 ARG 6 1HH1 ARG 6 -0.275 22.341 -6.228 58 HH12 ARG 6 2HH1 ARG 6 1.350 22.932 -6.219 59 HH21 ARG 6 1HH2 ARG 6 0.456 26.225 -6.571 60 HH22 ARG 6 2HH2 ARG 6 1.757 25.099 -6.413 61 H GLY 7 H GLY 7 -5.102 23.946 -2.801 62 HA2 GLY 7 2HA GLY 7 -6.923 22.672 -1.899 63 HA3 GLY 7 3HA GLY 7 -7.760 22.827 -3.435 64 H GLN 8 H GLN 8 -4.825 21.391 -2.001 65 HA GLN 8 HA GLN 8 -4.776 19.286 -4.009 66 HB2 GLN 8 2HB GLN 8 -3.038 19.793 -1.580 67 HB3 GLN 8 3HB GLN 8 -2.809 18.446 -2.685 68 HG2 GLN 8 2HG GLN 8 -2.483 20.083 -4.531 69 HG3 GLN 8 3HG GLN 8 -2.582 21.379 -3.343 70 HE21 GLN 8 1HE2 GLN 8 -1.007 18.312 -2.689 71 HE22 GLN 8 2HE2 GLN 8 0.598 18.945 -2.639 72 H VAL 9 H VAL 9 -4.949 17.025 -3.520 73 HA VAL 9 HA VAL 9 -7.232 16.377 -2.048 74 HB VAL 9 HB VAL 9 -6.491 14.980 -3.882 75 HG11 VAL 9 1HG1 VAL 9 -4.070 15.183 -3.571 76 HG12 VAL 9 2HG1 VAL 9 -4.559 13.496 -3.719 77 HG13 VAL 9 3HG1 VAL 9 -4.163 14.164 -2.134 78 HG21 VAL 9 3HG2 VAL 9 -6.769 12.755 -2.864 79 HG22 VAL 9 1HG2 VAL 9 -7.908 13.929 -2.203 80 HG23 VAL 9 2HG2 VAL 9 -6.488 13.457 -1.269 81 H SER 10 H SER 10 -3.819 15.901 -1.145 82 HA SER 10 HA SER 10 -4.693 15.217 1.595 83 HG SER 10 HG SER 10 -1.652 15.294 -0.166 84 HB2 SER 10 2HB SER 10 -2.449 14.078 1.781 85 HB3 SER 10 3HB SER 10 -3.549 13.348 0.611 86 H GLU 11 H GLU 11 -4.511 16.947 2.869 87 HA GLU 11 HA GLU 11 -2.264 18.815 2.478 88 HB2 GLU 11 2HB GLU 11 -3.639 20.456 3.696 89 HB3 GLU 11 3HB GLU 11 -4.468 19.839 2.275 90 HG2 GLU 11 2HG GLU 11 -5.702 18.262 3.785 91 HG3 GLU 11 3HG GLU 11 -4.986 19.112 5.154 92 H LEU 12 H LEU 12 -0.791 19.171 4.061 93 HA LEU 12 HA LEU 12 -1.271 18.220 6.775 94 HG LEU 12 HG LEU 12 0.228 16.863 3.768 95 HB2 LEU 12 2HB LEU 12 1.134 17.163 6.641 96 HB3 LEU 12 3HB LEU 12 -0.279 16.258 6.144 97 HD11 LEU 12 1HD1 LEU 12 2.442 17.693 3.194 98 HD12 LEU 12 2HD1 LEU 12 2.826 17.894 4.904 99 HD13 LEU 12 3HD1 LEU 12 1.560 18.873 4.163 100 HD21 LEU 12 3HD2 LEU 12 2.101 15.282 3.540 101 HD22 LEU 12 1HD2 LEU 12 0.859 14.698 4.646 102 HD23 LEU 12 2HD2 LEU 12 2.364 15.361 5.282 103 HA PRO 13 HA PRO 13 0.890 21.892 7.783 104 HB2 PRO 13 2HB PRO 13 1.574 21.485 10.343 105 HB3 PRO 13 3HB PRO 13 -0.119 21.554 9.839 106 HG2 PRO 13 2HG PRO 13 1.589 19.151 10.394 107 HG3 PRO 13 3HG PRO 13 -0.082 19.474 10.894 108 HD2 PRO 13 2HD PRO 13 0.589 17.918 8.731 109 HD3 PRO 13 3HD PRO 13 -0.945 18.798 8.875 110 H PHE 14 H PHE 14 2.749 18.940 7.961 111 HA PHE 14 HA PHE 14 5.254 20.432 8.342 112 HD1 PHE 14 HD2 PHE 14 4.999 16.573 6.783 113 HD2 PHE 14 HD1 PHE 14 3.451 17.402 10.665 114 HE1 PHE 14 HE2 PHE 14 3.555 14.588 6.634 115 HE2 PHE 14 HE1 PHE 14 2.009 15.412 10.517 116 HZ PHE 14 HZ PHE 14 2.058 14.005 8.499 117 HB2 PHE 14 2HB PHE 14 6.220 18.043 8.554 118 HB3 PHE 14 3HB PHE 14 5.233 18.668 9.866 119 H GLU 15 H GLU 15 6.959 20.379 6.887 120 HA GLU 15 HA GLU 15 6.230 19.506 4.167 121 HB2 GLU 15 2HB GLU 15 8.255 21.552 5.099 122 HB3 GLU 15 3HB GLU 15 8.035 21.071 3.423 123 HG2 GLU 15 2HG GLU 15 5.656 21.836 3.601 124 HG3 GLU 15 3HG GLU 15 6.049 22.481 5.192 125 H ARG 16 H ARG 16 8.337 18.644 6.722 126 HA ARG 16 HA ARG 16 10.046 17.152 4.818 127 HE ARG 16 HE ARG 16 12.348 21.270 4.038 128 HB2 ARG 16 2HB ARG 16 10.902 18.212 7.522 129 HB3 ARG 16 3HB ARG 16 11.923 17.405 6.338 130 HG2 ARG 16 2HG ARG 16 10.596 20.096 6.017 131 HG3 ARG 16 3HG ARG 16 12.309 19.799 6.310 132 HD2 ARG 16 2HD ARG 16 12.596 18.806 4.166 133 HD3 ARG 16 3HD ARG 16 10.857 18.726 3.892 134 HH11 ARG 16 1HH1 ARG 16 9.953 19.253 2.593 135 HH12 ARG 16 2HH1 ARG 16 9.481 20.449 1.441 136 HH21 ARG 16 1HH2 ARG 16 11.720 22.803 2.578 137 HH22 ARG 16 2HH2 ARG 16 10.464 22.446 1.437 138 H VAL 17 H VAL 17 9.760 15.023 4.924 139 HA VAL 17 HA VAL 17 9.133 13.773 7.530 140 HB VAL 17 HB VAL 17 7.655 12.157 6.379 141 HG11 VAL 17 1HG1 VAL 17 6.843 15.048 6.022 142 HG12 VAL 17 2HG1 VAL 17 6.656 14.078 7.483 143 HG13 VAL 17 3HG1 VAL 17 5.742 13.668 6.032 144 HG21 VAL 17 3HG2 VAL 17 8.596 12.295 4.129 145 HG22 VAL 17 1HG2 VAL 17 8.013 13.951 3.968 146 HG23 VAL 17 2HG2 VAL 17 6.862 12.618 4.093 147 H TYR 18 H TYR 18 9.821 11.592 7.788 148 HA TYR 18 HA TYR 18 11.845 10.678 5.832 149 HD1 TYR 18 HD1 TYR 18 14.435 10.178 6.101 150 HD2 TYR 18 HD2 TYR 18 12.667 8.355 9.523 151 HE1 TYR 18 HE1 TYR 18 16.084 8.358 5.979 152 HE2 TYR 18 HE2 TYR 18 14.312 6.532 9.406 153 HH TYR 18 HH TYR 18 15.788 5.474 7.818 154 HB2 TYR 18 2HB TYR 18 12.966 11.461 7.847 155 HB3 TYR 18 3HB TYR 18 11.921 10.470 8.856 156 H ILE 19 H ILE 19 11.794 8.551 5.235 157 HA ILE 19 HA ILE 19 9.669 6.857 6.398 158 HB ILE 19 HB ILE 19 9.272 7.392 4.040 159 HG12 ILE 19 2HG1 ILE 19 10.116 4.504 4.441 160 HG13 ILE 19 3HG1 ILE 19 8.560 5.192 4.891 161 HG21 ILE 19 1HG2 ILE 19 11.947 6.091 3.514 162 HG22 ILE 19 2HG2 ILE 19 11.559 7.800 3.323 163 HG23 ILE 19 3HG2 ILE 19 10.796 6.601 2.278 164 HD11 ILE 19 3HD1 ILE 19 9.644 4.919 2.093 165 HD12 ILE 19 1HD1 ILE 19 8.095 5.646 2.529 166 HD13 ILE 19 2HD1 ILE 19 8.384 3.934 2.837 167 H THR 20 H THR 20 10.169 4.800 7.092 168 HA THR 20 HA THR 20 12.865 3.756 6.560 169 HB THR 20 HB THR 20 13.139 4.807 8.708 170 HG1 THR 20 HG1 THR 20 14.163 2.810 8.520 171 HG21 THR 20 3HG2 THR 20 11.790 4.157 10.669 172 HG22 THR 20 1HG2 THR 20 10.747 3.200 9.620 173 HG23 THR 20 2HG2 THR 20 10.817 4.953 9.432 174 H ALA 21 H ALA 21 13.079 1.530 6.586 175 HA ALA 21 HA ALA 21 10.667 -0.091 7.027 176 HB1 ALA 21 3HB ALA 21 10.934 -1.207 4.848 177 HB2 ALA 21 1HB ALA 21 12.256 -0.105 4.453 178 HB3 ALA 21 2HB ALA 21 10.620 0.519 4.661 179 HA PRO 22 HA PRO 22 13.650 -3.004 8.681 180 HB2 PRO 22 2HB PRO 22 12.242 -5.316 8.480 181 HB3 PRO 22 3HB PRO 22 11.853 -4.068 9.669 182 HG2 PRO 22 2HG PRO 22 10.578 -4.591 6.997 183 HG3 PRO 22 3HG PRO 22 9.802 -4.269 8.561 184 HD2 PRO 22 2HD PRO 22 10.113 -2.343 6.688 185 HD3 PRO 22 3HD PRO 22 10.188 -1.987 8.426 186 H ALA 23 H ALA 23 12.569 -3.027 5.462 187 HA ALA 23 HA ALA 23 14.964 -4.171 4.450 188 HB1 ALA 23 3HB ALA 23 13.867 -6.259 5.124 189 HB2 ALA 23 1HB ALA 23 14.029 -6.158 3.370 190 HB3 ALA 23 2HB ALA 23 12.469 -5.849 4.132 191 H GLY 24 H GLY 24 14.621 -4.627 1.942 192 HA2 GLY 24 2HA GLY 24 13.395 -2.226 0.853 193 HA3 GLY 24 3HA GLY 24 14.364 -3.398 -0.027 194 H LEU 25 H LEU 25 11.190 -3.239 1.639 195 HA LEU 25 HA LEU 25 10.050 -5.242 -0.097 196 HG LEU 25 HG LEU 25 9.875 -6.043 2.333 197 HB2 LEU 25 2HB LEU 25 8.628 -3.370 1.809 198 HB3 LEU 25 3HB LEU 25 7.935 -4.784 1.046 199 HD11 LEU 25 1HD1 LEU 25 10.991 -4.086 3.207 200 HD12 LEU 25 2HD1 LEU 25 10.303 -5.017 4.536 201 HD13 LEU 25 3HD1 LEU 25 9.500 -3.546 3.980 202 HD21 LEU 25 3HD2 LEU 25 7.385 -5.029 3.713 203 HD22 LEU 25 1HD2 LEU 25 8.332 -6.441 4.185 204 HD23 LEU 25 2HD2 LEU 25 7.475 -6.430 2.643 205 H THR 26 H THR 26 8.398 -4.930 -1.673 206 HA THR 26 HA THR 26 8.521 -2.507 -3.185 207 HB THR 26 HB THR 26 6.697 -3.501 -4.563 208 HG1 THR 26 HG1 THR 26 5.623 -4.652 -2.880 209 HG21 THR 26 3HG2 THR 26 8.941 -5.430 -3.929 210 HG22 THR 26 1HG2 THR 26 9.051 -4.058 -5.034 211 HG23 THR 26 2HG2 THR 26 7.978 -5.407 -5.405 212 H ILE 27 H ILE 27 7.906 -0.867 -1.736 213 HA ILE 27 HA ILE 27 5.164 -0.176 -1.650 214 HB ILE 27 HB ILE 27 5.023 -1.896 0.087 215 HG12 ILE 27 2HG1 ILE 27 4.103 -0.504 1.942 216 HG13 ILE 27 3HG1 ILE 27 4.821 0.919 1.198 217 HG21 ILE 27 1HG2 ILE 27 7.114 -0.303 1.576 218 HG22 ILE 27 2HG2 ILE 27 7.335 -1.895 0.854 219 HG23 ILE 27 3HG2 ILE 27 6.231 -1.692 2.213 220 HD11 ILE 27 3HD1 ILE 27 3.414 0.603 -0.768 221 HD12 ILE 27 1HD1 ILE 27 2.450 0.748 0.702 222 HD13 ILE 27 2HD1 ILE 27 2.706 -0.835 -0.031 223 H GLY 28 H GLY 28 8.352 0.250 -0.139 224 HA2 GLY 28 2HA GLY 28 8.027 2.876 0.817 225 HA3 GLY 28 3HA GLY 28 9.559 2.130 0.395 226 H SER 29 H SER 29 9.460 1.767 -2.250 227 HA SER 29 HA SER 29 10.046 4.158 -3.473 228 HG SER 29 HG SER 29 8.750 2.805 -6.419 229 HB2 SER 29 2HB SER 29 10.621 2.068 -4.534 230 HB3 SER 29 3HB SER 29 8.925 1.616 -4.684 231 H ASP 30 H ASP 30 6.932 2.472 -3.519 232 HA ASP 30 HA ASP 30 5.535 4.315 -5.120 233 HB2 ASP 30 2HB ASP 30 4.451 2.417 -3.018 234 HB3 ASP 30 3HB ASP 30 3.535 3.149 -4.337 235 H LEU 31 H LEU 31 5.621 3.942 -1.574 236 HA LEU 31 HA LEU 31 3.826 5.981 -0.923 237 HG LEU 31 HG LEU 31 5.226 7.062 1.678 238 HB2 LEU 31 2HB LEU 31 4.622 4.274 0.660 239 HB3 LEU 31 3HB LEU 31 6.207 5.023 0.673 240 HD11 LEU 31 1HD1 LEU 31 2.670 5.456 1.756 241 HD12 LEU 31 2HD1 LEU 31 2.967 6.904 0.792 242 HD13 LEU 31 3HD1 LEU 31 2.935 7.007 2.552 243 HD21 LEU 31 3HD2 LEU 31 4.799 6.127 3.898 244 HD22 LEU 31 1HD2 LEU 31 6.176 5.346 3.125 245 HD23 LEU 31 2HD2 LEU 31 4.618 4.519 3.192 246 H GLU 32 H GLU 32 7.393 6.162 -1.135 247 HA GLU 32 HA GLU 32 7.770 8.799 -0.388 248 HB2 GLU 32 2HB GLU 32 9.284 7.188 -2.457 249 HB3 GLU 32 3HB GLU 32 9.844 8.713 -1.785 250 HG2 GLU 32 2HG GLU 32 9.911 7.705 0.450 251 HG3 GLU 32 3HG GLU 32 9.357 6.175 -0.228 252 H ARG 33 H ARG 33 7.034 7.543 -3.636 253 HA ARG 33 HA ARG 33 7.171 10.035 -4.987 254 HE ARG 33 HE ARG 33 9.361 5.936 -7.077 255 HB2 ARG 33 2HB ARG 33 5.570 7.575 -5.733 256 HB3 ARG 33 3HB ARG 33 5.992 8.899 -6.814 257 HG2 ARG 33 2HG ARG 33 8.341 8.347 -6.634 258 HG3 ARG 33 3HG ARG 33 7.983 7.084 -5.456 259 HD2 ARG 33 2HD ARG 33 6.607 5.942 -7.199 260 HD3 ARG 33 3HD ARG 33 7.151 7.157 -8.358 261 HH11 ARG 33 1HH1 ARG 33 6.970 5.315 -9.490 262 HH12 ARG 33 2HH1 ARG 33 7.978 4.190 -10.334 263 HH21 ARG 33 1HH2 ARG 33 10.626 4.511 -8.174 264 HH22 ARG 33 2HH2 ARG 33 10.021 3.735 -9.598 265 H VAL 34 H VAL 34 4.418 8.226 -3.629 266 HA VAL 34 HA VAL 34 2.381 9.972 -4.452 267 HB VAL 34 HB VAL 34 2.474 8.138 -2.045 268 HG11 VAL 34 1HG1 VAL 34 0.017 8.244 -2.066 269 HG12 VAL 34 2HG1 VAL 34 0.083 9.468 -3.335 270 HG13 VAL 34 3HG1 VAL 34 0.734 9.821 -1.735 271 HG21 VAL 34 3HG2 VAL 34 1.377 7.760 -4.836 272 HG22 VAL 34 1HG2 VAL 34 1.160 6.623 -3.504 273 HG23 VAL 34 2HG2 VAL 34 2.775 6.949 -4.131 274 H ILE 35 H ILE 35 4.396 10.036 -1.525 275 HA ILE 35 HA ILE 35 3.096 12.034 -0.077 276 HB ILE 35 HB ILE 35 6.084 11.544 -0.279 277 HG12 ILE 35 2HG1 ILE 35 4.824 9.562 0.466 278 HG13 ILE 35 3HG1 ILE 35 5.807 10.221 1.768 279 HG21 ILE 35 1HG2 ILE 35 4.510 13.077 1.795 280 HG22 ILE 35 2HG2 ILE 35 5.668 13.745 0.646 281 HG23 ILE 35 3HG2 ILE 35 6.218 12.659 1.922 282 HD11 ILE 35 3HD1 ILE 35 2.836 10.582 1.424 283 HD12 ILE 35 1HD1 ILE 35 3.811 11.288 2.714 284 HD13 ILE 35 2HD1 ILE 35 3.643 9.537 2.593 285 H SER 36 H SER 36 5.961 12.587 -2.171 286 HA SER 36 HA SER 36 5.825 15.404 -1.954 287 HG SER 36 HG SER 36 7.675 16.421 -3.201 288 HB2 SER 36 2HB SER 36 7.906 14.219 -2.527 289 HB3 SER 36 3HB SER 36 7.215 13.746 -4.078 290 H THR 37 H THR 37 4.200 13.225 -4.145 291 HA THR 37 HA THR 37 3.633 15.304 -6.100 292 HB THR 37 HB THR 37 2.292 13.556 -7.271 293 HG1 THR 37 HG1 THR 37 3.308 11.497 -5.750 294 HG21 THR 37 3HG2 THR 37 4.669 13.848 -7.797 295 HG22 THR 37 1HG2 THR 37 4.199 12.152 -7.915 296 HG23 THR 37 2HG2 THR 37 5.099 12.721 -6.508 297 H HIS 38 H HIS 38 1.845 13.610 -3.545 298 HA HIS 38 HA HIS 38 -0.629 14.970 -4.326 299 HD1 HIS 38 HD1 HIS 38 -3.138 12.175 -3.916 300 HD2 HIS 38 HD2 HIS 38 0.854 11.682 -4.942 301 HE1 HIS 38 HE1 HIS 38 -3.126 10.467 -5.745 302 HE2 HIS 38 HE2 HIS 38 -0.718 10.277 -6.441 303 HB2 HIS 38 2HB HIS 38 -0.090 12.827 -2.260 304 HB3 HIS 38 3HB HIS 38 -1.666 13.567 -2.507 305 H THR 39 H THR 39 1.857 15.276 -1.887 306 HA THR 39 HA THR 39 0.084 17.027 -0.277 307 HB THR 39 HB THR 39 1.251 16.472 1.687 308 HG1 THR 39 HG1 THR 39 3.217 15.009 0.266 309 HG21 THR 39 3HG2 THR 39 1.186 13.931 0.062 310 HG22 THR 39 1HG2 THR 39 -0.180 14.636 0.929 311 HG23 THR 39 2HG2 THR 39 1.217 14.040 1.823 312 H ARG 40 H ARG 40 1.851 18.253 1.323 313 HA ARG 40 HA ARG 40 3.364 20.067 -0.412 314 HE ARG 40 HE ARG 40 5.773 23.582 0.900 315 HB2 ARG 40 2HB ARG 40 1.795 21.101 1.120 316 HB3 ARG 40 3HB ARG 40 2.462 20.215 2.480 317 HG2 ARG 40 2HG ARG 40 3.220 22.457 2.638 318 HG3 ARG 40 3HG ARG 40 4.599 21.467 2.157 319 HD2 ARG 40 2HD ARG 40 4.231 22.158 -0.190 320 HD3 ARG 40 3HD ARG 40 2.912 23.204 0.344 321 HH11 ARG 40 1HH1 ARG 40 2.543 24.775 1.124 322 HH12 ARG 40 2HH1 ARG 40 3.064 26.391 1.457 323 HH21 ARG 40 1HH2 ARG 40 6.404 25.642 1.363 324 HH22 ARG 40 2HH2 ARG 40 5.209 26.872 1.601 325 H ALA 41 H ALA 41 3.907 17.333 1.468 326 HA ALA 41 HA ALA 41 6.388 18.176 2.713 327 HB1 ALA 41 3HB ALA 41 5.042 15.477 2.724 328 HB2 ALA 41 1HB ALA 41 4.826 16.744 3.931 329 HB3 ALA 41 2HB ALA 41 6.398 15.971 3.740 330 H LYS 42 H LYS 42 8.365 16.907 2.540 331 HA LYS 42 HA LYS 42 8.768 15.537 -0.041 332 HB2 LYS 42 2HB LYS 42 9.637 17.980 0.088 333 HB3 LYS 42 3HB LYS 42 10.857 17.354 1.183 334 HG2 LYS 42 2HG LYS 42 10.460 16.258 -1.594 335 HG3 LYS 42 3HG LYS 42 11.510 17.629 -1.258 336 HD2 LYS 42 2HD LYS 42 11.798 14.901 0.008 337 HD3 LYS 42 3HD LYS 42 12.701 15.446 -1.403 338 HE2 LYS 42 2HE LYS 42 12.750 16.859 1.265 339 HE3 LYS 42 3HE LYS 42 13.923 15.634 0.782 340 HZ1 LYS 42 3HZ LYS 42 14.693 17.002 -0.965 341 HZ2 LYS 42 1HZ LYS 42 14.623 17.986 0.407 342 HZ3 LYS 42 2HZ LYS 42 13.427 18.106 -0.782 343 H VAL 43 H VAL 43 10.007 13.684 0.080 344 HA VAL 43 HA VAL 43 10.469 12.616 2.734 345 HB VAL 43 HB VAL 43 10.976 11.357 0.023 346 HG11 VAL 43 1HG1 VAL 43 11.006 9.224 1.249 347 HG12 VAL 43 2HG1 VAL 43 10.867 10.101 2.773 348 HG13 VAL 43 3HG1 VAL 43 12.305 10.296 1.771 349 HG21 VAL 43 3HG2 VAL 43 8.870 10.173 0.376 350 HG22 VAL 43 1HG2 VAL 43 8.613 11.918 0.377 351 HG23 VAL 43 2HG2 VAL 43 8.627 11.028 1.900 352 H VAL 44 H VAL 44 12.325 12.831 3.813 353 HA VAL 44 HA VAL 44 14.790 13.517 2.381 354 HB VAL 44 HB VAL 44 15.743 14.004 4.607 355 HG11 VAL 44 1HG1 VAL 44 14.392 15.991 5.095 356 HG12 VAL 44 2HG1 VAL 44 13.085 15.352 4.096 357 HG13 VAL 44 3HG1 VAL 44 14.630 15.783 3.360 358 HG21 VAL 44 3HG2 VAL 44 14.499 12.394 5.949 359 HG22 VAL 44 1HG2 VAL 44 13.001 13.275 5.648 360 HG23 VAL 44 2HG2 VAL 44 14.290 14.023 6.593 361 H ASN 45 H ASN 45 16.727 12.379 2.618 362 HA ASN 45 HA ASN 45 16.454 9.526 2.920 363 HB2 ASN 45 2HB ASN 45 17.874 10.485 1.159 364 HB3 ASN 45 3HB ASN 45 18.895 11.240 2.374 365 HD21 ASN 45 1HD2 ASN 45 17.983 8.238 0.863 366 HD22 ASN 45 2HD2 ASN 45 19.308 7.307 1.469 367 H LYS 46 H LYS 46 17.274 12.085 5.025 368 HA LYS 46 HA LYS 46 18.266 10.186 7.035 369 HB2 LYS 46 2HB LYS 46 19.969 11.784 7.796 370 HB3 LYS 46 3HB LYS 46 20.257 11.274 6.139 371 HG2 LYS 46 2HG LYS 46 18.884 13.863 6.840 372 HG3 LYS 46 3HG LYS 46 20.632 13.723 6.668 373 HD2 LYS 46 2HD LYS 46 20.275 12.889 4.340 374 HD3 LYS 46 3HD LYS 46 18.549 13.201 4.536 375 HE2 LYS 46 2HE LYS 46 19.666 15.035 3.353 376 HE3 LYS 46 3HE LYS 46 18.997 15.570 4.895 377 HZ1 LYS 46 3HZ LYS 46 21.194 15.427 5.869 378 HZ2 LYS 46 1HZ LYS 46 21.227 16.439 4.516 379 HZ3 LYS 46 2HZ LYS 46 21.845 14.868 4.414 380 H ALA 47 H ALA 47 17.478 10.467 9.058 381 HA ALA 47 HA ALA 47 15.301 12.331 9.396 382 HB1 ALA 47 3HB ALA 47 16.440 10.342 11.361 383 HB2 ALA 47 1HB ALA 47 15.138 10.023 10.216 384 HB3 ALA 47 2HB ALA 47 14.905 11.197 11.510 385 H GLU 48 H GLU 48 17.103 14.107 9.100 386 HA GLU 48 HA GLU 48 17.960 14.972 11.797 387 HB2 GLU 48 2HB GLU 48 19.626 16.388 10.723 388 HB3 GLU 48 3HB GLU 48 19.819 14.725 10.189 389 HG2 GLU 48 2HG GLU 48 18.877 15.194 8.065 390 HG3 GLU 48 3HG GLU 48 18.303 16.773 8.591 391 H LYS 49 H LYS 49 16.317 15.946 8.844 392 HA LYS 49 HA LYS 49 15.300 18.365 10.204 393 HB2 LYS 49 2HB LYS 49 15.637 17.782 7.250 394 HB3 LYS 49 3HB LYS 49 14.827 19.208 7.886 395 HG2 LYS 49 2HG LYS 49 16.899 19.929 8.956 396 HG3 LYS 49 3HG LYS 49 17.720 18.481 8.362 397 HD2 LYS 49 2HD LYS 49 17.429 19.193 6.075 398 HD3 LYS 49 3HD LYS 49 16.420 20.549 6.578 399 HE2 LYS 49 2HE LYS 49 18.652 21.327 6.031 400 HE3 LYS 49 3HE LYS 49 18.341 21.536 7.752 401 HZ1 LYS 49 3HZ LYS 49 19.674 19.632 8.245 402 HZ2 LYS 49 1HZ LYS 49 20.570 20.644 7.229 403 HZ3 LYS 49 2HZ LYS 49 19.849 19.251 6.607 404 H SER 50 H SER 50 14.355 15.362 9.842 405 HA SER 50 HA SER 50 11.803 15.638 8.522 406 HG SER 50 HG SER 50 12.731 13.397 11.171 407 HB2 SER 50 2HB SER 50 11.489 13.262 9.203 408 HB3 SER 50 3HB SER 50 13.003 13.537 8.341 409 H GLU 51 H GLU 51 10.135 16.589 9.479 410 HA GLU 51 HA GLU 51 9.888 16.935 12.305 411 HB2 GLU 51 2HB GLU 51 8.979 18.367 10.294 412 HB3 GLU 51 3HB GLU 51 7.602 17.284 10.377 413 HG2 GLU 51 2HG GLU 51 8.550 18.788 12.795 414 HG3 GLU 51 3HG GLU 51 7.497 19.541 11.604 415 H ALA 52 H ALA 52 8.309 14.835 9.915 416 HA ALA 52 HA ALA 52 7.324 13.137 12.130 417 HB1 ALA 52 3HB ALA 52 5.461 14.228 10.982 418 HB2 ALA 52 1HB ALA 52 5.439 12.485 10.707 419 HB3 ALA 52 2HB ALA 52 6.014 13.571 9.441 420 H ILE 53 H ILE 53 7.394 10.853 11.806 421 HA ILE 53 HA ILE 53 9.107 9.937 9.579 422 HB ILE 53 HB ILE 53 9.415 9.213 12.502 423 HG12 ILE 53 2HG1 ILE 53 11.298 10.544 10.528 424 HG13 ILE 53 3HG1 ILE 53 10.468 11.337 11.862 425 HG21 ILE 53 1HG2 ILE 53 11.219 7.703 11.802 426 HG22 ILE 53 2HG2 ILE 53 10.828 8.021 10.112 427 HG23 ILE 53 3HG2 ILE 53 9.659 7.203 11.149 428 HD11 ILE 53 3HD1 ILE 53 11.729 9.949 13.443 429 HD12 ILE 53 1HD1 ILE 53 12.776 10.934 12.420 430 HD13 ILE 53 2HD1 ILE 53 12.587 9.212 12.088 431 H ILE 54 H ILE 54 8.234 8.301 8.470 432 HA ILE 54 HA ILE 54 6.042 6.755 9.692 433 HB ILE 54 HB ILE 54 6.717 7.155 6.763 434 HG12 ILE 54 2HG1 ILE 54 4.388 8.238 6.774 435 HG13 ILE 54 3HG1 ILE 54 4.507 8.243 8.529 436 HG21 ILE 54 1HG2 ILE 54 4.628 5.929 6.293 437 HG22 ILE 54 2HG2 ILE 54 4.471 5.567 8.012 438 HG23 ILE 54 3HG2 ILE 54 5.834 4.925 7.095 439 HD11 ILE 54 3HD1 ILE 54 5.098 10.398 7.569 440 HD12 ILE 54 1HD1 ILE 54 6.389 9.639 6.635 441 HD13 ILE 54 2HD1 ILE 54 6.475 9.672 8.397 442 H GLN 55 H GLN 55 6.378 4.697 10.230 443 HA GLN 55 HA GLN 55 8.648 3.239 9.011 444 HB2 GLN 55 2HB GLN 55 8.900 3.710 11.431 445 HB3 GLN 55 3HB GLN 55 7.395 2.866 11.750 446 HG2 GLN 55 2HG GLN 55 9.688 1.459 10.418 447 HG3 GLN 55 3HG GLN 55 9.641 1.659 12.167 448 HE21 GLN 55 1HE2 GLN 55 9.506 -0.767 10.508 449 HE22 GLN 55 2HE2 GLN 55 8.054 -1.565 10.972 450 H ILE 56 H ILE 56 8.089 1.577 7.713 451 HA ILE 56 HA ILE 56 5.349 0.544 7.842 452 HB ILE 56 HB ILE 56 6.210 1.243 5.659 453 HG12 ILE 56 2HG1 ILE 56 4.584 -0.775 5.977 454 HG13 ILE 56 3HG1 ILE 56 5.276 -0.472 4.392 455 HG21 ILE 56 1HG2 ILE 56 8.561 0.765 5.950 456 HG22 ILE 56 2HG2 ILE 56 7.953 -0.021 4.494 457 HG23 ILE 56 3HG2 ILE 56 8.235 -0.968 5.955 458 HD11 ILE 56 3HD1 ILE 56 6.912 -2.242 4.760 459 HD12 ILE 56 1HD1 ILE 56 5.261 -2.839 4.926 460 HD13 ILE 56 2HD1 ILE 56 6.236 -2.538 6.362 461 H VAL 57 H VAL 57 4.844 -1.320 8.795 462 HA VAL 57 HA VAL 57 6.907 -2.892 10.066 463 HB VAL 57 HB VAL 57 3.901 -3.268 10.071 464 HG11 VAL 57 1HG1 VAL 57 6.018 -4.542 11.817 465 HG12 VAL 57 2HG1 VAL 57 5.055 -5.359 10.587 466 HG13 VAL 57 3HG1 VAL 57 4.274 -4.710 12.028 467 HG21 VAL 57 3HG2 VAL 57 4.624 -1.138 11.066 468 HG22 VAL 57 1HG2 VAL 57 5.715 -2.011 12.141 469 HG23 VAL 57 2HG2 VAL 57 3.971 -2.233 12.284 470 H HIS 58 H HIS 58 4.182 -3.800 7.890 471 HA HIS 58 HA HIS 58 5.915 -5.603 6.438 472 HD1 HIS 58 HD1 HIS 58 1.987 -6.983 6.528 473 HD2 HIS 58 HD2 HIS 58 3.529 -6.833 10.385 474 HE1 HIS 58 HE1 HIS 58 -0.004 -7.081 8.049 475 HE2 HIS 58 HE2 HIS 58 0.944 -6.926 10.372 476 HB2 HIS 58 2HB HIS 58 4.640 -7.650 6.864 477 HB3 HIS 58 3HB HIS 58 5.332 -7.022 8.352 478 H ALA 59 H ALA 59 5.212 -6.048 4.412 479 HA ALA 59 HA ALA 59 2.450 -5.278 3.690 480 HB1 ALA 59 3HB ALA 59 4.925 -5.053 1.967 481 HB2 ALA 59 1HB ALA 59 4.091 -3.713 2.756 482 HB3 ALA 59 2HB ALA 59 3.282 -4.628 1.484 483 H ILE 60 H ILE 60 1.344 -7.131 3.441 484 HA ILE 60 HA ILE 60 2.665 -9.552 2.492 485 HB ILE 60 HB ILE 60 -0.166 -9.107 3.469 486 HG12 ILE 60 2HG1 ILE 60 1.481 -8.783 5.242 487 HG13 ILE 60 3HG1 ILE 60 0.610 -10.290 5.505 488 HG21 ILE 60 1HG2 ILE 60 1.268 -11.695 2.852 489 HG22 ILE 60 2HG2 ILE 60 -0.073 -11.001 1.941 490 HG23 ILE 60 3HG2 ILE 60 -0.326 -11.556 3.595 491 HD11 ILE 60 3HD1 ILE 60 2.495 -11.549 4.630 492 HD12 ILE 60 1HD1 ILE 60 2.992 -10.514 5.967 493 HD13 ILE 60 2HD1 ILE 60 3.364 -10.048 4.308 494 H ARG 61 H ARG 61 2.379 -10.461 0.529 495 HA ARG 61 HA ARG 61 0.341 -9.404 -1.302 496 HE ARG 61 HE ARG 61 6.224 -10.133 -1.998 497 HB2 ARG 61 2HB ARG 61 2.102 -9.213 -3.093 498 HB3 ARG 61 3HB ARG 61 2.265 -8.041 -1.791 499 HG2 ARG 61 2HG ARG 61 4.008 -9.452 -0.763 500 HG3 ARG 61 3HG ARG 61 3.868 -10.579 -2.108 501 HD2 ARG 61 2HD ARG 61 4.503 -8.707 -3.645 502 HD3 ARG 61 3HD ARG 61 4.807 -7.711 -2.219 503 HH11 ARG 61 1HH1 ARG 61 6.344 -7.112 -3.663 504 HH12 ARG 61 2HH1 ARG 61 8.025 -7.268 -4.013 505 HH21 ARG 61 1HH2 ARG 61 8.373 -10.300 -2.462 506 HH22 ARG 61 2HH2 ARG 61 9.156 -9.037 -3.351 507 H GLU 62 H GLU 62 -0.757 -11.397 -1.255 508 HA GLU 62 HA GLU 62 0.660 -13.659 -2.528 509 HB2 GLU 62 2HB GLU 62 -1.165 -13.876 -0.121 510 HB3 GLU 62 3HB GLU 62 -0.479 -15.234 -1.000 511 HG2 GLU 62 2HG GLU 62 1.784 -14.455 -0.367 512 HG3 GLU 62 3HG GLU 62 1.044 -13.170 0.586 513 H LYS 63 H LYS 63 -0.741 -15.278 -3.503 514 HA LYS 63 HA LYS 63 -3.502 -14.390 -4.032 515 HB2 LYS 63 2HB LYS 63 -3.244 -15.229 -6.390 516 HB3 LYS 63 3HB LYS 63 -2.339 -13.769 -6.023 517 HG2 LYS 63 2HG LYS 63 -0.284 -14.887 -6.043 518 HG3 LYS 63 3HG LYS 63 -1.040 -16.472 -5.878 519 HD2 LYS 63 2HD LYS 63 -0.166 -16.055 -8.157 520 HD3 LYS 63 3HD LYS 63 -1.903 -16.354 -8.133 521 HE2 LYS 63 2HE LYS 63 -1.447 -14.545 -9.648 522 HE3 LYS 63 3HE LYS 63 -2.279 -13.898 -8.237 523 HZ1 LYS 63 3HZ LYS 63 -0.214 -13.064 -7.395 524 HZ2 LYS 63 1HZ LYS 63 -0.394 -12.530 -8.990 525 HZ3 LYS 63 2HZ LYS 63 0.662 -13.805 -8.634 526 H ARG 64 H ARG 64 -5.049 -16.005 -4.165 527 HA ARG 64 HA ARG 64 -4.309 -18.788 -4.407 528 HE ARG 64 HE ARG 64 -7.082 -15.365 -0.530 529 HB2 ARG 64 2HB ARG 64 -5.180 -19.560 -2.282 530 HB3 ARG 64 3HB ARG 64 -3.889 -18.405 -2.004 531 HG2 ARG 64 2HG ARG 64 -6.802 -17.644 -1.904 532 HG3 ARG 64 3HG ARG 64 -5.915 -18.231 -0.498 533 HD2 ARG 64 2HD ARG 64 -4.312 -16.358 -0.776 534 HD3 ARG 64 3HD ARG 64 -5.285 -15.756 -2.119 535 HH11 ARG 64 1HH1 ARG 64 -3.942 -15.892 0.809 536 HH12 ARG 64 2HH1 ARG 64 -4.340 -15.116 2.301 537 HH21 ARG 64 1HH2 ARG 64 -7.574 -14.401 1.364 538 HH22 ARG 64 2HH2 ARG 64 -6.397 -14.324 2.634 539 H ILE 65 H ILE 65 -6.434 -20.196 -3.913 540 HA ILE 65 HA ILE 65 -8.403 -19.272 -5.760 541 HB ILE 65 HB ILE 65 -8.093 -21.726 -4.077 542 HG12 ILE 65 2HG1 ILE 65 -7.046 -21.551 -6.310 543 HG13 ILE 65 3HG1 ILE 65 -8.244 -22.842 -6.248 544 HG21 ILE 65 1HG2 ILE 65 -10.442 -21.208 -3.738 545 HG22 ILE 65 2HG2 ILE 65 -10.283 -22.588 -4.822 546 HG23 ILE 65 3HG2 ILE 65 -10.674 -20.998 -5.475 547 HD11 ILE 65 3HD1 ILE 65 -8.673 -20.098 -7.422 548 HD12 ILE 65 1HD1 ILE 65 -9.861 -21.403 -7.378 549 HD13 ILE 65 2HD1 ILE 65 -8.386 -21.585 -8.329 550 H LEU 66 H LEU 66 -10.325 -18.326 -5.470 551 HA LEU 66 HA LEU 66 -11.199 -17.670 -2.743 552 HG LEU 66 HG LEU 66 -13.855 -16.341 -3.644 553 HB2 LEU 66 2HB LEU 66 -10.957 -15.830 -4.361 554 HB3 LEU 66 3HB LEU 66 -12.122 -16.605 -5.416 555 HD11 LEU 66 1HD1 LEU 66 -12.397 -16.236 -1.695 556 HD12 LEU 66 2HD1 LEU 66 -13.435 -14.814 -1.782 557 HD13 LEU 66 3HD1 LEU 66 -11.739 -14.697 -2.253 558 HD21 LEU 66 3HD2 LEU 66 -14.184 -13.942 -3.972 559 HD22 LEU 66 1HD2 LEU 66 -13.694 -14.737 -5.467 560 HD23 LEU 66 2HD2 LEU 66 -12.524 -13.789 -4.547 561 H SER 67 H SER 67 -12.444 -19.067 -5.777 562 HA SER 67 HA SER 67 -14.378 -20.665 -4.293 563 HG SER 67 HG SER 67 -15.409 -18.649 -3.658 564 HB2 SER 67 2HB SER 67 -15.291 -18.750 -6.465 565 HB3 SER 67 3HB SER 67 -16.311 -19.906 -5.609 566 H LEU 68 H LEU 68 -15.078 -22.507 -5.388 567 HA LEU 68 HA LEU 68 -13.829 -23.014 -8.023 568 HG LEU 68 HG LEU 68 -12.393 -23.725 -5.320 569 HB2 LEU 68 2HB LEU 68 -14.466 -24.970 -5.803 570 HB3 LEU 68 3HB LEU 68 -13.835 -25.414 -7.378 571 HD11 LEU 68 1HD1 LEU 68 -10.904 -25.655 -5.089 572 HD12 LEU 68 2HD1 LEU 68 -11.909 -26.571 -6.214 573 HD13 LEU 68 3HD1 LEU 68 -12.562 -26.071 -4.653 574 HD21 LEU 68 3HD2 LEU 68 -10.457 -23.933 -6.816 575 HD22 LEU 68 1HD2 LEU 68 -11.789 -23.075 -7.587 576 HD23 LEU 68 2HD2 LEU 68 -11.468 -24.758 -8.005 577 H SER 69 H SER 69 -15.093 -23.673 -9.677 578 HA SER 69 HA SER 69 -17.976 -23.825 -9.263 579 HG SER 69 HG SER 69 -16.130 -23.466 -12.881 580 HB2 SER 69 2HB SER 69 -18.044 -23.908 -11.786 581 HB3 SER 69 3HB SER 69 -17.296 -22.460 -11.117 582 H GLU 70 H GLU 70 -19.198 -25.613 -9.425 583 HA GLU 70 HA GLU 70 -19.801 -27.804 -9.485 584 HB2 GLU 70 2HB GLU 70 -17.735 -28.034 -11.686 585 HB3 GLU 70 3HB GLU 70 -19.125 -29.081 -11.432 586 HG2 GLU 70 2HG GLU 70 -19.215 -26.165 -12.212 587 HG3 GLU 70 3HG GLU 70 -19.498 -27.537 -13.279 588 H SER 71 H SER 71 -17.396 -26.991 -7.845 589 HA SER 71 HA SER 71 -15.802 -27.880 -6.503 590 HG SER 71 HG SER 71 -16.300 -31.005 -4.961 591 HB2 SER 71 2HB SER 71 -17.600 -29.376 -5.771 592 HB3 SER 71 3HB SER 71 -17.228 -30.494 -7.081 593 H GLY 72 H GLY 72 -13.928 -27.507 -7.639 594 HA2 GLY 72 2HA GLY 72 -11.952 -29.001 -8.134 595 HA3 GLY 72 3HA GLY 72 -12.968 -29.703 -9.381 596 H ARG 73 H ARG 73 -14.104 -27.160 -10.259 597 HA ARG 73 HA ARG 73 -11.828 -26.324 -11.890 598 HE ARG 73 HE ARG 73 -11.885 -24.098 -15.620 599 HB2 ARG 73 2HB ARG 73 -14.045 -26.983 -12.910 600 HB3 ARG 73 3HB ARG 73 -14.722 -25.511 -12.225 601 HG2 ARG 73 2HG ARG 73 -14.154 -25.149 -14.543 602 HG3 ARG 73 3HG ARG 73 -13.091 -24.182 -13.515 603 HD2 ARG 73 2HD ARG 73 -11.391 -26.031 -13.703 604 HD3 ARG 73 3HD ARG 73 -12.437 -26.778 -14.910 605 HH11 ARG 73 1HH1 ARG 73 -10.405 -27.217 -15.506 606 HH12 ARG 73 2HH1 ARG 73 -9.267 -26.826 -16.749 607 HH21 ARG 73 1HH2 ARG 73 -10.416 -23.626 -17.183 608 HH22 ARG 73 2HH2 ARG 73 -9.276 -24.828 -17.697 609 H VAL 74 H VAL 74 -11.182 -24.164 -12.160 610 HA VAL 74 HA VAL 74 -11.359 -22.574 -9.767 611 HB VAL 74 HB VAL 74 -9.957 -22.020 -12.395 612 HG11 VAL 74 1HG1 VAL 74 -9.694 -20.625 -9.727 613 HG12 VAL 74 2HG1 VAL 74 -10.358 -19.941 -11.211 614 HG13 VAL 74 3HG1 VAL 74 -8.649 -20.362 -11.124 615 HG21 VAL 74 3HG2 VAL 74 -7.923 -22.710 -11.199 616 HG22 VAL 74 1HG2 VAL 74 -9.109 -24.014 -11.280 617 HG23 VAL 74 2HG2 VAL 74 -8.898 -23.109 -9.781 618 H ARG 75 H ARG 75 -12.670 -20.875 -9.369 619 HA ARG 75 HA ARG 75 -14.112 -19.581 -11.599 620 HE ARG 75 HE ARG 75 -17.598 -18.415 -9.679 621 HB2 ARG 75 2HB ARG 75 -14.604 -19.669 -8.624 622 HB3 ARG 75 3HB ARG 75 -15.391 -18.473 -9.648 623 HG2 ARG 75 2HG ARG 75 -16.418 -20.278 -10.954 624 HG3 ARG 75 3HG ARG 75 -15.637 -21.468 -9.905 625 HD2 ARG 75 2HD ARG 75 -17.984 -21.055 -9.271 626 HD3 ARG 75 3HD ARG 75 -16.856 -20.627 -7.986 627 HH11 ARG 75 1HH1 ARG 75 -18.420 -20.241 -6.874 628 HH12 ARG 75 2HH1 ARG 75 -19.365 -18.968 -6.186 629 HH21 ARG 75 1HH2 ARG 75 -18.811 -16.772 -8.767 630 HH22 ARG 75 2HH2 ARG 75 -19.581 -17.031 -7.240 631 H GLU 76 H GLU 76 -12.922 -18.406 -8.458 632 HA GLU 76 HA GLU 76 -11.712 -16.089 -9.829 633 HB2 GLU 76 2HB GLU 76 -13.173 -16.039 -7.173 634 HB3 GLU 76 3HB GLU 76 -12.448 -14.659 -7.988 635 HG2 GLU 76 2HG GLU 76 -14.045 -14.912 -9.830 636 HG3 GLU 76 3HG GLU 76 -14.772 -16.290 -9.005 637 H PHE 77 H PHE 77 -9.824 -15.269 -8.979 638 HA PHE 77 HA PHE 77 -8.474 -16.915 -6.936 639 HD1 PHE 77 HD1 PHE 77 -7.449 -18.875 -8.650 640 HD2 PHE 77 HD2 PHE 77 -4.789 -15.715 -7.614 641 HE1 PHE 77 HE1 PHE 77 -5.746 -20.524 -8.000 642 HE2 PHE 77 HE2 PHE 77 -3.083 -17.364 -6.962 643 HZ PHE 77 HZ PHE 77 -3.560 -19.771 -7.154 644 HB2 PHE 77 2HB PHE 77 -7.689 -16.493 -9.536 645 HB3 PHE 77 3HB PHE 77 -6.807 -15.219 -8.705 646 H GLU 78 H GLU 78 -8.290 -15.893 -5.036 647 HA GLU 78 HA GLU 78 -8.755 -13.047 -4.840 648 HB2 GLU 78 2HB GLU 78 -9.825 -14.524 -3.242 649 HB3 GLU 78 3HB GLU 78 -8.265 -15.147 -2.719 650 HG2 GLU 78 2HG GLU 78 -7.671 -12.967 -1.815 651 HG3 GLU 78 3HG GLU 78 -9.193 -12.294 -2.394 652 H LEU 79 H LEU 79 -7.266 -11.531 -4.769 653 HA LEU 79 HA LEU 79 -4.467 -12.203 -4.168 654 HG LEU 79 HG LEU 79 -6.189 -11.251 -6.881 655 HB2 LEU 79 2HB LEU 79 -5.521 -9.568 -5.211 656 HB3 LEU 79 3HB LEU 79 -3.873 -10.162 -5.264 657 HD11 LEU 79 1HD1 LEU 79 -5.033 -10.289 -8.799 658 HD12 LEU 79 2HD1 LEU 79 -3.806 -9.608 -7.731 659 HD13 LEU 79 3HD1 LEU 79 -5.475 -9.045 -7.631 660 HD21 LEU 79 3HD2 LEU 79 -3.263 -11.996 -6.937 661 HD22 LEU 79 1HD2 LEU 79 -4.503 -12.584 -8.045 662 HD23 LEU 79 2HD2 LEU 79 -4.580 -13.003 -6.334 663 H VAL 80 H VAL 80 -3.964 -11.974 -2.032 664 HA VAL 80 HA VAL 80 -5.454 -10.036 -0.412 665 HB VAL 80 HB VAL 80 -5.302 -12.317 0.462 666 HG11 VAL 80 1HG1 VAL 80 -3.185 -13.241 1.258 667 HG12 VAL 80 2HG1 VAL 80 -2.324 -11.849 0.602 668 HG13 VAL 80 3HG1 VAL 80 -3.152 -12.965 -0.484 669 HG21 VAL 80 3HG2 VAL 80 -5.508 -10.463 2.040 670 HG22 VAL 80 1HG2 VAL 80 -3.751 -10.328 2.128 671 HG23 VAL 80 2HG2 VAL 80 -4.556 -11.777 2.732 672 H TYR 81 H TYR 81 -4.609 -8.214 0.414 673 HA TYR 81 HA TYR 81 -1.705 -7.742 0.224 674 HD1 TYR 81 HD2 TYR 81 -0.269 -6.731 -1.440 675 HD2 TYR 81 HD1 TYR 81 -2.995 -3.585 -0.538 676 HE1 TYR 81 HE2 TYR 81 1.545 -5.090 -1.702 677 HE2 TYR 81 HE1 TYR 81 -1.191 -1.937 -0.805 678 HH TYR 81 HH TYR 81 1.306 -1.895 -0.666 679 HB2 TYR 81 2HB TYR 81 -2.965 -6.816 -1.764 680 HB3 TYR 81 3HB TYR 81 -3.803 -5.742 -0.653 681 H ARG 82 H ARG 82 -1.163 -7.543 2.345 682 HA ARG 82 HA ARG 82 -2.878 -5.866 4.088 683 HE ARG 82 HE ARG 82 -3.596 -8.411 7.408 684 HB2 ARG 82 2HB ARG 82 -1.080 -8.167 4.890 685 HB3 ARG 82 3HB ARG 82 -2.040 -7.188 5.992 686 HG2 ARG 82 2HG ARG 82 -4.089 -8.008 4.961 687 HG3 ARG 82 3HG ARG 82 -3.143 -8.958 3.811 688 HD2 ARG 82 2HD ARG 82 -3.974 -10.333 5.673 689 HD3 ARG 82 3HD ARG 82 -2.211 -10.279 5.631 690 HH11 ARG 82 1HH1 ARG 82 -1.713 -11.274 7.048 691 HH12 ARG 82 2HH1 ARG 82 -1.276 -11.321 8.716 692 HH21 ARG 82 1HH2 ARG 82 -3.037 -8.497 9.553 693 HH22 ARG 82 2HH2 ARG 82 -2.027 -9.785 10.117 694 H VAL 83 H VAL 83 -1.915 -3.880 4.161 695 HA VAL 83 HA VAL 83 1.000 -3.747 4.627 696 HB VAL 83 HB VAL 83 -0.871 -1.530 3.753 697 HG11 VAL 83 1HG1 VAL 83 2.148 -1.582 3.939 698 HG12 VAL 83 2HG1 VAL 83 1.064 -0.699 5.013 699 HG13 VAL 83 3HG1 VAL 83 1.174 -0.251 3.311 700 HG21 VAL 83 3HG2 VAL 83 0.197 -1.749 1.559 701 HG22 VAL 83 1HG2 VAL 83 -0.612 -3.246 2.026 702 HG23 VAL 83 2HG2 VAL 83 1.144 -3.116 2.147 703 H ALA 84 H ALA 84 1.593 -3.524 6.687 704 HA ALA 84 HA ALA 84 -0.088 -1.922 8.521 705 HB1 ALA 84 3HB ALA 84 0.816 -3.270 10.360 706 HB2 ALA 84 1HB ALA 84 1.754 -4.220 9.207 707 HB3 ALA 84 2HB ALA 84 -0.009 -4.275 9.170 708 H ALA 85 H ALA 85 0.949 -0.440 9.926 709 HA ALA 85 HA ALA 85 3.810 -0.020 9.744 710 HB1 ALA 85 3HB ALA 85 1.953 2.063 8.586 711 HB2 ALA 85 1HB ALA 85 3.001 0.996 7.651 712 HB3 ALA 85 2HB ALA 85 3.705 2.190 8.742 713 H ARG 86 H ARG 86 4.586 1.733 11.105 714 HA ARG 86 HA ARG 86 2.663 2.651 13.158 715 HE ARG 86 HE ARG 86 4.931 -1.574 15.144 716 HB2 ARG 86 2HB ARG 86 5.673 2.370 13.400 717 HB3 ARG 86 3HB ARG 86 4.582 2.894 14.675 718 HG2 ARG 86 2HG ARG 86 3.520 0.676 14.668 719 HG3 ARG 86 3HG ARG 86 4.638 0.158 13.402 720 HD2 ARG 86 2HD ARG 86 6.529 0.653 14.938 721 HD3 ARG 86 3HD ARG 86 5.364 1.032 16.207 722 HH11 ARG 86 1HH1 ARG 86 6.831 0.223 17.369 723 HH12 ARG 86 2HH1 ARG 86 7.358 -1.179 18.231 724 HH21 ARG 86 1HH2 ARG 86 5.575 -3.372 16.290 725 HH22 ARG 86 2HH2 ARG 86 6.627 -3.186 17.648 726 H LEU 87 H LEU 87 2.542 4.852 13.605 727 HA LEU 87 HA LEU 87 3.985 6.614 11.726 728 HG LEU 87 HG LEU 87 2.630 8.331 10.638 729 HB2 LEU 87 2HB LEU 87 1.399 6.434 11.830 730 HB3 LEU 87 3HB LEU 87 1.531 7.384 13.294 731 HD11 LEU 87 1HD1 LEU 87 0.582 9.655 10.402 732 HD12 LEU 87 2HD1 LEU 87 -0.093 8.874 11.830 733 HD13 LEU 87 3HD1 LEU 87 0.243 7.923 10.380 734 HD21 LEU 87 3HD2 LEU 87 3.533 9.475 12.610 735 HD22 LEU 87 1HD2 LEU 87 1.894 9.824 13.167 736 HD23 LEU 87 2HD2 LEU 87 2.494 10.549 11.674 737 H LEU 88 H LEU 88 5.739 7.499 12.637 738 HA LEU 88 HA LEU 88 5.687 8.159 15.517 739 HG LEU 88 HG LEU 88 6.658 5.743 15.586 740 HB2 LEU 88 2HB LEU 88 8.124 7.668 13.795 741 HB3 LEU 88 3HB LEU 88 8.097 7.905 15.530 742 HD11 LEU 88 1HD1 LEU 88 7.077 4.173 13.780 743 HD12 LEU 88 2HD1 LEU 88 7.967 5.411 12.891 744 HD13 LEU 88 3HD1 LEU 88 6.240 5.606 13.185 745 HD21 LEU 88 3HD2 LEU 88 9.594 5.658 14.891 746 HD22 LEU 88 1HD2 LEU 88 8.683 4.349 15.648 747 HD23 LEU 88 2HD2 LEU 88 8.900 5.878 16.497 748 H ASP 89 H ASP 89 7.106 9.994 16.175 749 HA ASP 89 HA ASP 89 6.964 12.212 14.250 750 HB2 ASP 89 2HB ASP 89 7.096 13.682 16.105 751 HB3 ASP 89 3HB ASP 89 6.036 12.377 16.630 752 H ALA 90 H ALA 90 8.969 13.868 15.121 753 HA ALA 90 HA ALA 90 11.258 12.884 13.819 754 HB1 ALA 90 3HB ALA 90 12.359 14.923 14.567 755 HB2 ALA 90 1HB ALA 90 11.068 15.208 15.734 756 HB3 ALA 90 2HB ALA 90 10.723 15.269 14.005 757 H HIS 91 H HIS 91 10.337 12.778 17.207 758 HA HIS 91 HA HIS 91 13.021 12.019 18.064 759 HD1 HIS 91 HD1 HIS 91 13.851 13.937 20.029 760 HD2 HIS 91 HD2 HIS 91 9.916 14.955 19.184 761 HE1 HIS 91 HE1 HIS 91 13.802 16.446 19.982 762 HE2 HIS 91 HE2 HIS 91 11.468 17.018 19.242 763 HB2 HIS 91 2HB HIS 91 10.456 12.310 19.651 764 HB3 HIS 91 3HB HIS 91 12.047 11.985 20.338 765 H ASN 92 H ASN 92 10.924 10.333 16.419 766 HA ASN 92 HA ASN 92 10.737 8.118 15.970 767 HB2 ASN 92 2HB ASN 92 12.791 7.720 18.158 768 HB3 ASN 92 3HB ASN 92 12.325 6.535 16.943 769 HD21 ASN 92 1HD2 ASN 92 12.158 8.491 14.798 770 HD22 ASN 92 2HD2 ASN 92 13.784 8.911 14.411 771 H ALA 93 H ALA 93 9.195 9.462 18.237 772 HA ALA 93 HA ALA 93 8.362 7.087 19.743 773 HB1 ALA 93 3HB ALA 93 6.926 8.620 20.997 774 HB2 ALA 93 1HB ALA 93 7.377 9.940 19.918 775 HB3 ALA 93 2HB ALA 93 8.590 9.204 20.964 776 H GLU 94 H GLU 94 6.697 5.840 19.076 777 HA GLU 94 HA GLU 94 5.287 6.535 16.672 778 HB2 GLU 94 2HB GLU 94 4.096 4.334 17.055 779 HB3 GLU 94 3HB GLU 94 5.840 4.245 16.870 780 HG2 GLU 94 2HG GLU 94 6.115 3.999 19.268 781 HG3 GLU 94 3HG GLU 94 4.377 4.183 19.504 782 H LEU 95 H LEU 95 4.250 8.450 17.346 783 HA LEU 95 HA LEU 95 2.418 8.701 19.439 784 HG LEU 95 HG LEU 95 3.092 12.142 18.308 785 HB2 LEU 95 2HB LEU 95 2.879 10.164 16.878 786 HB3 LEU 95 3HB LEU 95 1.400 10.499 17.759 787 HD11 LEU 95 1HD1 LEU 95 2.630 10.249 20.615 788 HD12 LEU 95 2HD1 LEU 95 1.520 11.503 20.061 789 HD13 LEU 95 3HD1 LEU 95 3.086 11.949 20.737 790 HD21 LEU 95 3HD2 LEU 95 5.088 10.809 17.836 791 HD22 LEU 95 1HD2 LEU 95 4.787 9.838 19.278 792 HD23 LEU 95 2HD2 LEU 95 5.171 11.554 19.433 793 H ALA 96 H ALA 96 1.825 7.680 16.078 794 HA ALA 96 HA ALA 96 -0.930 6.949 16.881 795 HB1 ALA 96 3HB ALA 96 -0.904 8.810 15.295 796 HB2 ALA 96 1HB ALA 96 -1.636 7.371 14.584 797 HB3 ALA 96 2HB ALA 96 0.011 7.829 14.150 798 H SER 97 H SER 97 -1.405 4.847 16.816 799 HA SER 97 HA SER 97 0.399 2.962 15.519 800 HG SER 97 HG SER 97 -1.863 0.594 16.157 801 HB2 SER 97 2HB SER 97 -0.454 2.399 17.747 802 HB3 SER 97 3HB SER 97 -2.112 2.471 17.149 803 H LEU 98 H LEU 98 0.108 3.218 13.334 804 HA LEU 98 HA LEU 98 -2.446 3.513 12.109 805 HG LEU 98 HG LEU 98 -1.497 2.513 9.171 806 HB2 LEU 98 2HB LEU 98 -0.325 4.427 11.198 807 HB3 LEU 98 3HB LEU 98 0.211 2.794 10.855 808 HD11 LEU 98 1HD1 LEU 98 -3.063 4.316 8.598 809 HD12 LEU 98 2HD1 LEU 98 -2.492 5.246 9.984 810 HD13 LEU 98 3HD1 LEU 98 -3.328 3.712 10.233 811 HD21 LEU 98 3HD2 LEU 98 0.557 3.635 8.473 812 HD22 LEU 98 1HD2 LEU 98 -0.140 5.204 8.896 813 HD23 LEU 98 2HD2 LEU 98 -0.827 4.256 7.574 814 H GLN 99 H GLN 99 -3.855 1.875 12.320 815 HA GLN 99 HA GLN 99 -3.276 -0.845 12.600 816 HB2 GLN 99 2HB GLN 99 -5.816 0.362 11.471 817 HB3 GLN 99 3HB GLN 99 -5.650 -1.241 12.177 818 HG2 GLN 99 2HG GLN 99 -5.143 -0.250 14.347 819 HG3 GLN 99 3HG GLN 99 -5.267 1.364 13.646 820 HE21 GLN 99 1HE2 GLN 99 -7.017 -1.440 14.693 821 HE22 GLN 99 2HE2 GLN 99 -8.588 -0.729 14.638 822 H GLU 100 H GLU 100 -3.308 -2.610 11.189 823 HA GLU 100 HA GLU 100 -2.105 -2.264 8.713 824 HB2 GLU 100 2HB GLU 100 -2.535 -4.634 8.297 825 HB3 GLU 100 3HB GLU 100 -1.996 -4.372 9.950 826 HG2 GLU 100 2HG GLU 100 -4.219 -4.669 10.796 827 HG3 GLU 100 3HG GLU 100 -4.889 -4.710 9.165 828 H ILE 101 H ILE 101 -2.823 -1.634 6.800 829 HA ILE 101 HA ILE 101 -5.639 -1.508 6.178 830 HB ILE 101 HB ILE 101 -3.251 -0.964 4.391 831 HG12 ILE 101 2HG1 ILE 101 -4.952 0.967 6.001 832 HG13 ILE 101 3HG1 ILE 101 -3.315 0.472 6.418 833 HG21 ILE 101 1HG2 ILE 101 -4.830 0.285 3.002 834 HG22 ILE 101 2HG2 ILE 101 -6.151 -0.160 4.082 835 HG23 ILE 101 3HG2 ILE 101 -5.320 -1.403 3.143 836 HD11 ILE 101 3HD1 ILE 101 -4.120 1.984 3.947 837 HD12 ILE 101 1HD1 ILE 101 -2.480 1.505 4.382 838 HD13 ILE 101 2HD1 ILE 101 -3.355 2.662 5.384 839 H ARG 102 H ARG 102 -6.378 -3.604 6.147 840 HA ARG 102 HA ARG 102 -5.016 -5.613 4.525 841 HE ARG 102 HE ARG 102 -8.915 -8.308 7.154 842 HB2 ARG 102 2HB ARG 102 -5.735 -6.211 6.789 843 HB3 ARG 102 3HB ARG 102 -7.400 -5.829 6.379 844 HG2 ARG 102 2HG ARG 102 -7.565 -7.690 4.917 845 HG3 ARG 102 3HG ARG 102 -5.823 -7.970 4.971 846 HD2 ARG 102 2HD ARG 102 -7.011 -9.589 6.362 847 HD3 ARG 102 3HD ARG 102 -5.977 -8.551 7.341 848 HH11 ARG 102 1HH1 ARG 102 -5.954 -7.797 8.864 849 HH12 ARG 102 2HH1 ARG 102 -6.761 -7.381 10.337 850 HH21 ARG 102 1HH2 ARG 102 -9.921 -7.731 9.055 851 HH22 ARG 102 2HH2 ARG 102 -8.963 -7.341 10.440 852 H LEU 103 H LEU 103 -5.433 -5.144 2.414 853 HA LEU 103 HA LEU 103 -8.237 -4.877 1.548 854 HG LEU 103 HG LEU 103 -5.975 -2.617 1.834 855 HB2 LEU 103 2HB LEU 103 -5.700 -4.272 0.017 856 HB3 LEU 103 3HB LEU 103 -7.336 -3.947 -0.522 857 HD11 LEU 103 1HD1 LEU 103 -5.009 -1.927 -0.295 858 HD12 LEU 103 2HD1 LEU 103 -5.949 -0.620 0.421 859 HD13 LEU 103 3HD1 LEU 103 -6.616 -1.553 -0.920 860 HD21 LEU 103 3HD2 LEU 103 -8.666 -2.092 0.561 861 HD22 LEU 103 1HD2 LEU 103 -7.918 -1.099 1.814 862 HD23 LEU 103 2HD2 LEU 103 -8.384 -2.764 2.167 863 H THR 104 H THR 104 -9.087 -6.188 -0.074 864 HA THR 104 HA THR 104 -7.379 -8.372 -1.105 865 HB THR 104 HB THR 104 -9.412 -9.802 -1.223 866 HG1 THR 104 HG1 THR 104 -11.330 -9.100 -0.433 867 HG21 THR 104 3HG2 THR 104 -9.602 -10.280 1.186 868 HG22 THR 104 1HG2 THR 104 -8.797 -8.753 1.547 869 HG23 THR 104 2HG2 THR 104 -7.923 -10.033 0.705 870 H ARG 105 H ARG 105 -7.475 -8.761 -3.285 871 HA ARG 105 HA ARG 105 -9.426 -7.200 -4.868 872 HE ARG 105 HE ARG 105 -10.009 -5.966 -5.427 873 HB2 ARG 105 2HB ARG 105 -6.965 -6.400 -4.898 874 HB3 ARG 105 3HB ARG 105 -6.641 -7.846 -5.842 875 HG2 ARG 105 2HG ARG 105 -6.908 -6.176 -7.436 876 HG3 ARG 105 3HG ARG 105 -8.461 -7.007 -7.436 877 HD2 ARG 105 2HD ARG 105 -7.902 -4.471 -5.888 878 HD3 ARG 105 3HD ARG 105 -8.585 -4.496 -7.509 879 HH11 ARG 105 1HH1 ARG 105 -9.774 -3.112 -7.341 880 HH12 ARG 105 2HH1 ARG 105 -11.441 -2.703 -7.124 881 HH21 ARG 105 1HH2 ARG 105 -12.131 -5.400 -5.111 882 HH22 ARG 105 2HH2 ARG 105 -12.753 -3.981 -5.871 883 H ILE 106 H ILE 106 -10.586 -8.369 -6.346 884 HA ILE 106 HA ILE 106 -10.089 -11.259 -6.329 885 HB ILE 106 HB ILE 106 -12.546 -9.785 -7.297 886 HG12 ILE 106 2HG1 ILE 106 -12.254 -9.319 -4.935 887 HG13 ILE 106 3HG1 ILE 106 -13.554 -10.489 -5.121 888 HG21 ILE 106 1HG2 ILE 106 -12.337 -12.011 -8.241 889 HG22 ILE 106 2HG2 ILE 106 -13.645 -11.973 -7.058 890 HG23 ILE 106 3HG2 ILE 106 -12.093 -12.697 -6.634 891 HD11 ILE 106 3HD1 ILE 106 -12.004 -12.286 -4.499 892 HD12 ILE 106 1HD1 ILE 106 -12.151 -11.058 -3.243 893 HD13 ILE 106 2HD1 ILE 106 -10.725 -11.091 -4.277 894 H LEU 107 H LEU 107 -9.129 -12.196 -8.010 895 HA LEU 107 HA LEU 107 -9.310 -10.958 -10.682 896 HG LEU 107 HG LEU 107 -5.864 -12.165 -11.527 897 HB2 LEU 107 2HB LEU 107 -7.044 -11.371 -9.632 898 HB3 LEU 107 3HB LEU 107 -7.370 -13.087 -9.736 899 HD11 LEU 107 1HD1 LEU 107 -6.843 -13.404 -13.367 900 HD12 LEU 107 2HD1 LEU 107 -8.406 -13.427 -12.551 901 HD13 LEU 107 3HD1 LEU 107 -7.034 -14.289 -11.854 902 HD21 LEU 107 3HD2 LEU 107 -6.872 -10.932 -13.382 903 HD22 LEU 107 1HD2 LEU 107 -6.955 -10.028 -11.870 904 HD23 LEU 107 2HD2 LEU 107 -8.394 -10.835 -12.494 905 HA PRO 108 HA PRO 108 -12.155 -14.528 -11.285 906 HB2 PRO 108 2HB PRO 108 -13.290 -13.515 -13.559 907 HB3 PRO 108 3HB PRO 108 -13.819 -13.077 -11.930 908 HG2 PRO 108 2HG PRO 108 -11.969 -11.604 -13.777 909 HG3 PRO 108 3HG PRO 108 -13.302 -10.968 -12.793 910 HD2 PRO 108 2HD PRO 108 -10.736 -10.744 -12.010 911 HD3 PRO 108 3HD PRO 108 -12.044 -11.011 -10.837 912 H PHE 109 H PHE 109 -11.541 -16.343 -12.323 913 HA PHE 109 HA PHE 109 -9.449 -16.170 -14.344 914 HD1 PHE 109 HD1 PHE 109 -7.109 -17.790 -13.755 915 HD2 PHE 109 HD2 PHE 109 -10.495 -20.169 -14.777 916 HE1 PHE 109 HE1 PHE 109 -5.687 -19.201 -15.182 917 HE2 PHE 109 HE2 PHE 109 -9.074 -21.584 -16.202 918 HZ PHE 109 HZ PHE 109 -6.668 -21.099 -16.406 919 HB2 PHE 109 2HB PHE 109 -9.186 -17.716 -12.429 920 HB3 PHE 109 3HB PHE 109 -10.612 -18.601 -12.956 921 H LEU 110 H LEU 110 -10.219 -15.803 -16.349 922 HA LEU 110 HA LEU 110 -12.538 -17.274 -17.341 923 HG LEU 110 HG LEU 110 -13.656 -15.057 -17.689 924 HB2 LEU 110 2HB LEU 110 -10.785 -15.174 -18.636 925 HB3 LEU 110 3HB LEU 110 -12.107 -15.980 -19.459 926 HD11 LEU 110 1HD1 LEU 110 -11.245 -13.385 -16.978 927 HD12 LEU 110 2HD1 LEU 110 -12.025 -14.588 -15.951 928 HD13 LEU 110 3HD1 LEU 110 -12.892 -13.122 -16.403 929 HD21 LEU 110 3HD2 LEU 110 -12.153 -13.065 -19.394 930 HD22 LEU 110 1HD2 LEU 110 -13.754 -12.823 -18.690 931 HD23 LEU 110 2HD2 LEU 110 -13.508 -14.071 -19.911 932 H ASP 111 H ASP 111 -12.237 -19.269 -18.033 933 HA ASP 111 HA ASP 111 -9.794 -20.544 -18.129 934 HB2 ASP 111 2HB ASP 111 -12.317 -21.417 -19.550 935 HB3 ASP 111 3HB ASP 111 -10.980 -22.454 -19.052 936 H ALA 112 H ALA 112 -11.566 -19.146 -20.877 937 HA ALA 112 HA ALA 112 -9.611 -20.273 -22.749 938 HB1 ALA 112 3HB ALA 112 -11.995 -20.505 -23.263 939 HB2 ALA 112 1HB ALA 112 -11.144 -19.584 -24.504 940 HB3 ALA 112 2HB ALA 112 -12.151 -18.749 -23.319 941 H GLN 113 H GLN 113 -9.553 -17.591 -20.924 942 HA GLN 113 HA GLN 113 -8.616 -15.796 -23.073 943 HB2 GLN 113 2HB GLN 113 -9.446 -15.134 -20.238 944 HB3 GLN 113 3HB GLN 113 -8.927 -13.966 -21.446 945 HG2 GLN 113 2HG GLN 113 -11.363 -15.730 -21.661 946 HG3 GLN 113 3HG GLN 113 -11.369 -14.038 -21.170 947 HE21 GLN 113 1HE2 GLN 113 -12.672 -15.359 -23.427 948 HE22 GLN 113 2HE2 GLN 113 -12.126 -14.532 -24.839 949 H GLU 114 H GLU 114 -6.479 -16.073 -23.376 950 HA GLU 114 HA GLU 114 -4.740 -16.795 -21.172 951 HB2 GLU 114 2HB GLU 114 -3.001 -17.103 -22.817 952 HB3 GLU 114 3HB GLU 114 -4.474 -17.878 -23.369 953 HG2 GLU 114 2HG GLU 114 -3.418 -15.225 -24.330 954 HG3 GLU 114 3HG GLU 114 -3.259 -16.759 -25.176 955 H LEU 115 H LEU 115 -5.141 -13.957 -23.297 956 HA LEU 115 HA LEU 115 -2.974 -12.485 -22.172 957 HG LEU 115 HG LEU 115 -3.651 -10.758 -25.361 958 HB2 LEU 115 2HB LEU 115 -5.301 -11.827 -23.913 959 HB3 LEU 115 3HB LEU 115 -4.507 -10.496 -23.096 960 HD11 LEU 115 1HD1 LEU 115 -2.138 -9.919 -23.640 961 HD12 LEU 115 2HD1 LEU 115 -1.267 -10.840 -24.868 962 HD13 LEU 115 3HD1 LEU 115 -1.605 -11.566 -23.296 963 HD21 LEU 115 3HD2 LEU 115 -2.756 -13.512 -24.507 964 HD22 LEU 115 1HD2 LEU 115 -2.394 -12.729 -26.046 965 HD23 LEU 115 2HD2 LEU 115 -4.057 -13.155 -25.644 966 H ALA 116 H ALA 116 -6.372 -12.799 -21.293 967 HA ALA 116 HA ALA 116 -6.699 -10.668 -19.555 968 HB1 ALA 116 3HB ALA 116 -8.460 -11.933 -18.497 969 HB2 ALA 116 1HB ALA 116 -7.816 -13.443 -19.144 970 HB3 ALA 116 2HB ALA 116 -8.489 -12.231 -20.234 971 H LYS 117 H LYS 117 -5.226 -13.831 -18.852 972 HA LYS 117 HA LYS 117 -4.839 -13.638 -16.120 973 HB2 LYS 117 2HB LYS 117 -3.336 -14.985 -18.327 974 HB3 LYS 117 3HB LYS 117 -2.591 -14.933 -16.738 975 HG2 LYS 117 2HG LYS 117 -5.408 -15.881 -16.884 976 HG3 LYS 117 3HG LYS 117 -4.160 -16.937 -17.542 977 HD2 LYS 117 2HD LYS 117 -4.531 -17.536 -15.238 978 HD3 LYS 117 3HD LYS 117 -2.944 -16.783 -15.371 979 HE2 LYS 117 2HE LYS 117 -4.049 -14.620 -14.639 980 HE3 LYS 117 3HE LYS 117 -5.477 -15.583 -14.263 981 HZ1 LYS 117 3HZ LYS 117 -4.164 -15.302 -12.296 982 HZ2 LYS 117 1HZ LYS 117 -2.775 -15.878 -13.070 983 HZ3 LYS 117 2HZ LYS 117 -4.071 -16.919 -12.765 984 H ALA 118 H ALA 118 -2.933 -12.145 -18.692 985 HA ALA 118 HA ALA 118 -0.972 -11.074 -16.835 986 HB1 ALA 118 3HB ALA 118 0.061 -10.087 -18.814 987 HB2 ALA 118 1HB ALA 118 -1.328 -10.566 -19.792 988 HB3 ALA 118 2HB ALA 118 -0.285 -11.796 -19.077 989 H ALA 119 H ALA 119 -3.285 -9.620 -19.146 990 HA ALA 119 HA ALA 119 -2.836 -6.957 -18.439 991 HB1 ALA 119 3HB ALA 119 -4.888 -6.457 -19.643 992 HB2 ALA 119 1HB ALA 119 -5.350 -8.159 -19.588 993 HB3 ALA 119 2HB ALA 119 -3.929 -7.660 -20.506 994 H GLU 120 H GLU 120 -5.537 -9.057 -17.365 995 HA GLU 120 HA GLU 120 -6.863 -7.130 -15.833 996 HB2 GLU 120 2HB GLU 120 -6.797 -10.123 -15.376 997 HB3 GLU 120 3HB GLU 120 -7.991 -9.016 -14.715 998 HG2 GLU 120 2HG GLU 120 -7.559 -9.606 -17.642 999 HG3 GLU 120 3HG GLU 120 -8.857 -10.241 -16.637 1000 H GLU 121 H GLU 121 -4.567 -9.633 -14.690 1001 HA GLU 121 HA GLU 121 -4.648 -8.813 -11.983 1002 HB2 GLU 121 2HB GLU 121 -3.879 -11.057 -12.876 1003 HB3 GLU 121 3HB GLU 121 -2.364 -10.279 -13.310 1004 HG2 GLU 121 2HG GLU 121 -1.933 -9.742 -10.988 1005 HG3 GLU 121 3HG GLU 121 -3.493 -10.413 -10.517 1006 H GLU 122 H GLU 122 -2.433 -8.006 -14.635 1007 HA GLU 122 HA GLU 122 -0.544 -6.422 -13.385 1008 HB2 GLU 122 2HB GLU 122 -0.419 -6.896 -15.752 1009 HB3 GLU 122 3HB GLU 122 -1.937 -6.069 -16.052 1010 HG2 GLU 122 2HG GLU 122 -0.204 -4.664 -16.838 1011 HG3 GLU 122 3HG GLU 122 -0.830 -3.936 -15.363 1012 H MET 123 H MET 123 -3.731 -5.398 -14.606 1013 HA MET 123 HA MET 123 -3.534 -2.718 -13.703 1014 HB2 MET 123 2HB MET 123 -6.013 -4.342 -14.329 1015 HB3 MET 123 3HB MET 123 -5.940 -2.588 -14.197 1016 HG2 MET 123 2HG MET 123 -4.432 -2.494 -16.112 1017 HG3 MET 123 3HG MET 123 -4.466 -4.251 -16.234 1018 HE1 MET 123 3HE MET 123 -6.483 -3.253 -19.401 1019 HE2 MET 123 1HE MET 123 -5.166 -4.231 -18.755 1020 HE3 MET 123 2HE MET 123 -5.047 -2.470 -18.739 1021 H LEU 124 H LEU 124 -4.691 -5.671 -12.158 1022 HA LEU 124 HA LEU 124 -5.998 -4.370 -9.984 1023 HG LEU 124 HG LEU 124 -6.795 -6.928 -11.757 1024 HB2 LEU 124 2HB LEU 124 -4.959 -7.194 -10.235 1025 HB3 LEU 124 3HB LEU 124 -5.917 -6.611 -8.885 1026 HD11 LEU 124 1HD1 LEU 124 -7.767 -8.152 -9.177 1027 HD12 LEU 124 2HD1 LEU 124 -6.830 -8.961 -10.434 1028 HD13 LEU 124 3HD1 LEU 124 -8.473 -8.418 -10.772 1029 HD21 LEU 124 3HD2 LEU 124 -8.284 -5.602 -9.485 1030 HD22 LEU 124 1HD2 LEU 124 -8.982 -6.040 -11.046 1031 HD23 LEU 124 2HD2 LEU 124 -7.707 -4.826 -10.961 1032 H TYR 125 H TYR 125 -2.669 -5.516 -10.446 1033 HA TYR 125 HA TYR 125 -1.802 -5.192 -7.783 1034 HD1 TYR 125 HD2 TYR 125 -0.223 -6.553 -6.976 1035 HD2 TYR 125 HD1 TYR 125 0.032 -7.271 -11.165 1036 HE1 TYR 125 HE2 TYR 125 0.146 -8.941 -6.535 1037 HE2 TYR 125 HE1 TYR 125 0.402 -9.664 -10.736 1038 HH TYR 125 HH TYR 125 1.249 -11.098 -8.896 1039 HB2 TYR 125 2HB TYR 125 -0.371 -5.105 -10.426 1040 HB3 TYR 125 3HB TYR 125 0.490 -4.720 -8.938 1041 H LYS 126 H LYS 126 -1.691 -2.882 -10.494 1042 HA LYS 126 HA LYS 126 -0.777 -0.716 -8.839 1043 HB2 LYS 126 2HB LYS 126 -1.115 0.670 -10.842 1044 HB3 LYS 126 3HB LYS 126 -0.204 -0.789 -11.201 1045 HG2 LYS 126 2HG LYS 126 -2.384 -1.808 -11.987 1046 HG3 LYS 126 3HG LYS 126 -3.076 -0.189 -11.873 1047 HD2 LYS 126 2HD LYS 126 -2.362 -0.635 -14.156 1048 HD3 LYS 126 3HD LYS 126 -1.361 0.633 -13.446 1049 HE2 LYS 126 2HE LYS 126 0.372 -1.058 -12.944 1050 HE3 LYS 126 3HE LYS 126 -0.623 -2.280 -13.735 1051 HZ1 LYS 126 3HZ LYS 126 0.435 0.153 -15.063 1052 HZ2 LYS 126 1HZ LYS 126 -0.416 -1.107 -15.802 1053 HZ3 LYS 126 2HZ LYS 126 1.128 -1.385 -15.173 1054 H ASP 127 H ASP 127 -3.678 -2.211 -8.900 1055 HA ASP 127 HA ASP 127 -5.259 0.202 -8.356 1056 HB2 ASP 127 2HB ASP 127 -6.194 -1.480 -9.913 1057 HB3 ASP 127 3HB ASP 127 -6.140 -2.689 -8.633 1058 H MET 128 H MET 128 -4.226 -2.850 -6.836 1059 HA MET 128 HA MET 128 -5.487 -2.342 -4.324 1060 HB2 MET 128 2HB MET 128 -4.147 -4.214 -3.470 1061 HB3 MET 128 3HB MET 128 -4.905 -4.619 -5.003 1062 HG2 MET 128 2HG MET 128 -2.796 -4.249 -6.163 1063 HG3 MET 128 3HG MET 128 -2.026 -3.795 -4.645 1064 HE1 MET 128 3HE MET 128 -4.638 -6.668 -5.330 1065 HE2 MET 128 1HE MET 128 -3.567 -8.043 -5.587 1066 HE3 MET 128 2HE MET 128 -3.597 -6.716 -6.751 1067 H GLN 129 H GLN 129 -2.108 -1.968 -5.438 1068 HA GLN 129 HA GLN 129 -1.107 -0.842 -3.045 1069 HB2 GLN 129 2HB GLN 129 0.459 -1.697 -4.627 1070 HB3 GLN 129 3HB GLN 129 -0.187 -0.704 -5.922 1071 HG2 GLN 129 2HG GLN 129 1.036 0.632 -3.542 1072 HG3 GLN 129 3HG GLN 129 2.084 -0.100 -4.757 1073 HE21 GLN 129 1HE2 GLN 129 1.745 2.707 -4.035 1074 HE22 GLN 129 2HE2 GLN 129 1.305 3.513 -5.495 1075 H LYS 130 H LYS 130 -2.472 0.613 -5.965 1076 HA LYS 130 HA LYS 130 -2.276 3.305 -5.497 1077 HB2 LYS 130 2HB LYS 130 -3.263 2.421 -7.505 1078 HB3 LYS 130 3HB LYS 130 -4.580 1.695 -6.599 1079 HG2 LYS 130 2HG LYS 130 -5.285 4.040 -5.972 1080 HG3 LYS 130 3HG LYS 130 -4.108 4.613 -7.160 1081 HD2 LYS 130 2HD LYS 130 -5.231 3.357 -8.916 1082 HD3 LYS 130 3HD LYS 130 -6.371 2.699 -7.746 1083 HE2 LYS 130 2HE LYS 130 -7.110 5.061 -7.286 1084 HE3 LYS 130 3HE LYS 130 -6.109 5.563 -8.650 1085 HZ1 LYS 130 3HZ LYS 130 -7.407 4.097 -10.081 1086 HZ2 LYS 130 1HZ LYS 130 -8.400 5.241 -9.324 1087 HZ3 LYS 130 2HZ LYS 130 -8.373 3.649 -8.768 1088 H ASP 131 H ASP 131 -4.963 1.230 -4.366 1089 HA ASP 131 HA ASP 131 -6.290 3.205 -2.870 1090 HB2 ASP 131 2HB ASP 131 -7.216 0.967 -3.620 1091 HB3 ASP 131 3HB ASP 131 -6.308 0.226 -2.306 1092 H ALA 132 H ALA 132 -4.171 0.565 -1.716 1093 HA ALA 132 HA ALA 132 -4.229 1.133 0.989 1094 HB1 ALA 132 3HB ALA 132 -3.312 -0.922 0.009 1095 HB2 ALA 132 1HB ALA 132 -2.215 -0.201 1.188 1096 HB3 ALA 132 2HB ALA 132 -1.898 -0.024 -0.538 1097 H VAL 133 H VAL 133 -1.929 2.445 -1.419 1098 HA VAL 133 HA VAL 133 -0.281 3.717 0.507 1099 HB VAL 133 HB VAL 133 0.460 3.170 -1.809 1100 HG11 VAL 133 1HG1 VAL 133 -0.034 4.722 -3.638 1101 HG12 VAL 133 2HG1 VAL 133 -1.166 5.589 -2.600 1102 HG13 VAL 133 3HG1 VAL 133 -1.495 3.918 -3.058 1103 HG21 VAL 133 3HG2 VAL 133 1.843 5.171 -2.104 1104 HG22 VAL 133 1HG2 VAL 133 1.759 4.681 -0.411 1105 HG23 VAL 133 2HG2 VAL 133 0.807 6.053 -0.981 1106 H GLN 134 H GLN 134 -3.086 4.868 -1.353 1107 HA GLN 134 HA GLN 134 -2.883 7.584 -0.467 1108 HB2 GLN 134 2HB GLN 134 -5.344 6.126 -1.465 1109 HB3 GLN 134 3HB GLN 134 -5.129 7.868 -1.372 1110 HG2 GLN 134 2HG GLN 134 -3.629 5.969 -3.169 1111 HG3 GLN 134 3HG GLN 134 -4.886 7.101 -3.652 1112 HE21 GLN 134 1HE2 GLN 134 -2.134 6.854 -4.568 1113 HE22 GLN 134 2HE2 GLN 134 -1.391 8.381 -4.285 1114 H GLN 135 H GLN 135 -4.467 4.700 0.753 1115 HA GLN 135 HA GLN 135 -6.001 5.857 2.813 1116 HB2 GLN 135 2HB GLN 135 -4.660 3.147 2.675 1117 HB3 GLN 135 3HB GLN 135 -5.869 3.599 3.870 1118 HG2 GLN 135 2HG GLN 135 -6.434 3.738 0.923 1119 HG3 GLN 135 3HG GLN 135 -6.626 2.245 1.837 1120 HE21 GLN 135 1HE2 GLN 135 -8.325 2.032 3.221 1121 HE22 GLN 135 2HE2 GLN 135 -9.625 3.154 3.299 1122 H ILE 136 H ILE 136 -2.681 4.519 2.909 1123 HA ILE 136 HA ILE 136 -1.986 5.239 5.526 1124 HB ILE 136 HB ILE 136 -0.203 5.251 3.069 1125 HG12 ILE 136 2HG1 ILE 136 -0.667 3.075 5.127 1126 HG13 ILE 136 3HG1 ILE 136 -1.306 3.078 3.484 1127 HG21 ILE 136 1HG2 ILE 136 0.534 5.184 5.999 1128 HG22 ILE 136 2HG2 ILE 136 0.843 6.499 4.865 1129 HG23 ILE 136 3HG2 ILE 136 1.662 4.952 4.663 1130 HD11 ILE 136 3HD1 ILE 136 0.985 3.018 2.611 1131 HD12 ILE 136 1HD1 ILE 136 0.624 1.638 3.649 1132 HD13 ILE 136 2HD1 ILE 136 1.602 2.970 4.265 1133 H LEU 137 H LEU 137 -1.516 7.044 2.512 1134 HA LEU 137 HA LEU 137 -0.369 9.374 3.436 1135 HG LEU 137 HG LEU 137 -1.858 11.453 1.738 1136 HB2 LEU 137 2HB LEU 137 -0.682 8.749 1.070 1137 HB3 LEU 137 3HB LEU 137 -2.401 9.063 1.221 1138 HD11 LEU 137 1HD1 LEU 137 0.407 11.174 2.544 1139 HD12 LEU 137 2HD1 LEU 137 0.394 12.254 1.153 1140 HD13 LEU 137 3HD1 LEU 137 0.927 10.586 0.965 1141 HD21 LEU 137 3HD2 LEU 137 -0.880 10.383 -0.914 1142 HD22 LEU 137 1HD2 LEU 137 -1.346 12.052 -0.587 1143 HD23 LEU 137 2HD2 LEU 137 -2.550 10.768 -0.498 1144 H ARG 138 H ARG 138 -3.836 8.689 3.078 1145 HA ARG 138 HA ARG 138 -4.840 11.160 3.908 1146 HE ARG 138 HE ARG 138 -9.906 10.335 5.127 1147 HB2 ARG 138 2HB ARG 138 -6.139 9.408 2.748 1148 HB3 ARG 138 3HB ARG 138 -6.088 8.417 4.198 1149 HG2 ARG 138 2HG ARG 138 -7.427 10.041 5.402 1150 HG3 ARG 138 3HG ARG 138 -7.413 11.122 4.004 1151 HD2 ARG 138 2HD ARG 138 -8.587 9.421 2.682 1152 HD3 ARG 138 3HD ARG 138 -8.604 8.346 4.078 1153 HH11 ARG 138 1HH1 ARG 138 -10.119 9.275 1.856 1154 HH12 ARG 138 2HH1 ARG 138 -11.792 9.687 1.714 1155 HH21 ARG 138 1HH2 ARG 138 -12.063 10.859 4.925 1156 HH22 ARG 138 2HH2 ARG 138 -12.879 10.568 3.431 1157 H GLN 139 H GLN 139 -4.116 8.247 5.824 1158 HA GLN 139 HA GLN 139 -5.045 9.247 8.302 1159 HB2 GLN 139 2HB GLN 139 -2.990 7.123 7.672 1160 HB3 GLN 139 3HB GLN 139 -3.604 7.438 9.288 1161 HG2 GLN 139 2HG GLN 139 -5.289 6.596 6.934 1162 HG3 GLN 139 3HG GLN 139 -4.688 5.514 8.188 1163 HE21 GLN 139 1HE2 GLN 139 -5.571 5.648 10.261 1164 HE22 GLN 139 2HE2 GLN 139 -7.074 6.436 10.564 1165 H VAL 140 H VAL 140 -1.783 9.215 6.867 1166 HA VAL 140 HA VAL 140 -0.427 10.355 9.062 1167 HB VAL 140 HB VAL 140 0.299 10.487 6.121 1168 HG11 VAL 140 1HG1 VAL 140 1.514 12.175 7.391 1169 HG12 VAL 140 2HG1 VAL 140 2.597 10.878 6.883 1170 HG13 VAL 140 3HG1 VAL 140 2.033 10.952 8.554 1171 HG21 VAL 140 3HG2 VAL 140 1.776 8.574 6.644 1172 HG22 VAL 140 1HG2 VAL 140 0.072 8.194 6.887 1173 HG23 VAL 140 2HG2 VAL 140 1.108 8.524 8.276 1174 H SER 141 H SER 141 -1.946 11.882 6.240 1175 HA SER 141 HA SER 141 -1.034 14.526 6.872 1176 HG SER 141 HG SER 141 -3.178 12.559 4.536 1177 HB2 SER 141 2HB SER 141 -2.600 15.247 5.074 1178 HB3 SER 141 3HB SER 141 -1.526 13.947 4.561 1179 H ALA 142 H ALA 142 -4.241 12.956 7.106 1180 HA ALA 142 HA ALA 142 -5.617 15.158 8.197 1181 HB1 ALA 142 3HB ALA 142 -6.224 12.216 8.474 1182 HB2 ALA 142 1HB ALA 142 -6.771 13.282 7.181 1183 HB3 ALA 142 2HB ALA 142 -7.345 13.530 8.832 1184 H PHE 143 H PHE 143 -3.388 13.017 9.692 1185 HA PHE 143 HA PHE 143 -4.218 12.817 12.317 1186 HD1 PHE 143 HD1 PHE 143 -3.329 11.505 14.003 1187 HD2 PHE 143 HD2 PHE 143 0.287 13.426 12.825 1188 HE1 PHE 143 HE1 PHE 143 -2.435 11.217 16.276 1189 HE2 PHE 143 HE2 PHE 143 1.180 13.144 15.098 1190 HZ PHE 143 HZ PHE 143 -0.180 12.035 16.830 1191 HB2 PHE 143 2HB PHE 143 -2.256 11.658 11.436 1192 HB3 PHE 143 3HB PHE 143 -1.400 13.185 11.269 1193 H THR 144 H THR 144 -3.194 15.691 10.687 1194 HA THR 144 HA THR 144 -2.243 17.179 12.897 1195 HB THR 144 HB THR 144 -1.744 17.923 10.650 1196 HG1 THR 144 HG1 THR 144 -3.050 20.150 11.023 1197 HG21 THR 144 3HG2 THR 144 -3.456 18.895 9.183 1198 HG22 THR 144 1HG2 THR 144 -4.706 18.462 10.349 1199 HG23 THR 144 2HG2 THR 144 -3.794 17.198 9.522 1200 H SER 145 H SER 145 -5.524 16.760 11.606 1201 HA SER 145 HA SER 145 -6.686 17.785 14.047 1202 HG SER 145 HG SER 145 -5.559 19.746 13.690 1203 HB2 SER 145 2HB SER 145 -7.094 19.320 11.461 1204 HB3 SER 145 3HB SER 145 -8.052 19.556 12.922 1205 H ALA 146 H ALA 146 -8.827 17.132 14.345 1206 HA ALA 146 HA ALA 146 -9.771 15.075 12.529 1207 HB1 ALA 146 3HB ALA 146 -10.995 16.078 15.105 1208 HB2 ALA 146 1HB ALA 146 -9.871 14.726 14.957 1209 HB3 ALA 146 2HB ALA 146 -11.470 14.627 14.221 1210 H GLY 147 H GLY 147 -10.898 18.244 13.672 1211 HA2 GLY 147 2HA GLY 147 -11.961 19.246 11.389 1212 HA3 GLY 147 3HA GLY 147 -13.249 18.203 11.970 1213 H LEU 148 H LEU 148 -13.647 18.578 14.468 1214 HA LEU 148 HA LEU 148 -14.822 21.128 14.657 1215 HG LEU 148 HG LEU 148 -16.748 18.725 16.762 1216 HB2 LEU 148 2HB LEU 148 -14.283 19.059 16.784 1217 HB3 LEU 148 3HB LEU 148 -15.200 20.522 17.079 1218 HD11 LEU 148 1HD1 LEU 148 -16.676 20.408 14.257 1219 HD12 LEU 148 2HD1 LEU 148 -17.409 20.866 15.795 1220 HD13 LEU 148 3HD1 LEU 148 -18.066 19.516 14.871 1221 HD21 LEU 148 3HD2 LEU 148 -15.416 18.171 14.108 1222 HD22 LEU 148 1HD2 LEU 148 -16.829 17.345 14.763 1223 HD23 LEU 148 2HD2 LEU 148 -15.265 17.180 15.559 1224 H GLU 149 H GLU 149 -11.719 19.946 15.732 1225 HA GLU 149 HA GLU 149 -11.028 21.969 17.560 1226 HB2 GLU 149 2HB GLU 149 -9.155 20.500 15.679 1227 HB3 GLU 149 3HB GLU 149 -8.693 21.353 17.143 1228 HG2 GLU 149 2HG GLU 149 -8.662 19.056 17.669 1229 HG3 GLU 149 3HG GLU 149 -10.114 19.711 18.423 1230 H HIS 150 H HIS 150 -10.448 21.734 14.059 1231 HA HIS 150 HA HIS 150 -9.248 24.329 13.872 1232 HD1 HIS 150 HD1 HIS 150 -10.296 25.507 10.774 1233 HD2 HIS 150 HD2 HIS 150 -6.718 23.432 11.196 1234 HE1 HIS 150 HE1 HIS 150 -8.602 26.812 9.469 1235 HE2 HIS 150 HE2 HIS 150 -6.466 25.506 9.671 1236 HB2 HIS 150 2HB HIS 150 -8.909 22.295 12.302 1237 HB3 HIS 150 3HB HIS 150 -10.408 22.809 11.535 1238 H HIS 151 H HIS 151 -12.489 23.135 13.835 1239 HA HIS 151 HA HIS 151 -13.705 25.369 12.519 1240 HD1 HIS 151 HD1 HIS 151 -16.375 25.012 11.387 1241 HD2 HIS 151 HD2 HIS 151 -17.026 24.706 15.482 1242 HE1 HIS 151 HE1 HIS 151 -18.587 26.118 11.803 1243 HE2 HIS 151 HE2 HIS 151 -18.882 26.060 14.295 1244 HB2 HIS 151 2HB HIS 151 -14.862 23.221 12.677 1245 HB3 HIS 151 3HB HIS 151 -14.881 23.332 14.433 1246 H HIS 152 H HIS 152 -13.222 24.507 15.950 1247 HA HIS 152 HA HIS 152 -12.928 27.216 16.746 1248 HD1 HIS 152 HD1 HIS 152 -15.354 26.600 20.088 1249 HD2 HIS 152 HD2 HIS 152 -14.781 29.756 17.447 1250 HE1 HIS 152 HE1 HIS 152 -15.412 28.671 21.495 1251 HE2 HIS 152 HE2 HIS 152 -14.932 30.554 19.901 1252 HB2 HIS 152 2HB HIS 152 -15.398 27.187 16.417 1253 HB3 HIS 152 3HB HIS 152 -15.520 25.911 17.624 1254 H HIS 153 H HIS 153 -11.443 27.051 18.299 1255 HA HIS 153 HA HIS 153 -11.897 25.408 20.632 1256 HD1 HIS 153 HD1 HIS 153 -9.722 26.104 17.287 1257 HD2 HIS 153 HD2 HIS 153 -7.326 23.973 19.929 1258 HE1 HIS 153 HE1 HIS 153 -7.370 26.455 16.497 1259 HE2 HIS 153 HE2 HIS 153 -5.934 25.268 18.179 1260 HB2 HIS 153 2HB HIS 153 -9.960 24.021 20.481 1261 HB3 HIS 153 3HB HIS 153 -10.792 23.866 18.940 1262 H HIS 154 H HIS 154 -9.592 25.558 21.965 1263 HA HIS 154 HA HIS 154 -9.249 28.317 22.561 1264 HD1 HIS 154 HD1 HIS 154 -5.419 27.617 23.390 1265 HD2 HIS 154 HD2 HIS 154 -8.511 28.576 26.001 1266 HE1 HIS 154 HE1 HIS 154 -4.436 29.241 25.029 1267 HE2 HIS 154 HE2 HIS 154 -6.292 29.740 26.650 1268 HB2 HIS 154 2HB HIS 154 -8.933 26.508 24.226 1269 HB3 HIS 154 3HB HIS 154 -7.505 25.964 23.350 1270 H HIS 155 H HIS 155 -7.484 29.694 22.180 1271 HA HIS 155 HA HIS 155 -6.254 29.533 19.655 1272 HD1 HIS 155 HD1 HIS 155 -3.044 31.725 21.462 1273 HD2 HIS 155 HD2 HIS 155 -5.613 32.274 18.244 1274 HE1 HIS 155 HE1 HIS 155 -1.668 32.850 19.690 1275 HE2 HIS 155 HE2 HIS 155 -3.282 33.307 17.820 1276 HB2 HIS 155 2HB HIS 155 -6.670 31.650 20.845 1277 HB3 HIS 155 3HB HIS 155 -5.448 31.224 22.036 Start of MODEL 3 1 HA MET 1 HA MET 1 -25.772 29.315 -2.298 2 H1 MET 1 1H MET 1 -27.662 30.549 -1.532 3 H2 MET 1 2H MET 1 -26.909 31.379 -2.795 4 H3 MET 1 3H MET 1 -26.704 31.904 -1.199 5 HB2 MET 1 2HB MET 1 -23.511 30.223 -2.129 6 HB3 MET 1 3HB MET 1 -24.496 31.223 -3.187 7 HG2 MET 1 2HG MET 1 -23.758 31.833 -0.331 8 HG3 MET 1 3HG MET 1 -23.095 32.599 -1.777 9 HE1 MET 1 3HE MET 1 -25.241 35.463 -0.179 10 HE2 MET 1 1HE MET 1 -23.647 34.995 -0.766 11 HE3 MET 1 2HE MET 1 -24.311 34.238 0.680 12 H GLY 2 H GLY 2 -23.863 28.576 -0.750 13 HA2 GLY 2 2HA GLY 2 -23.516 28.946 1.851 14 HA3 GLY 2 3HA GLY 2 -25.135 28.261 1.872 15 H PHE 3 H PHE 3 -22.072 27.546 0.184 16 HA PHE 3 HA PHE 3 -22.565 24.682 0.611 17 HD1 PHE 3 HD1 PHE 3 -23.055 23.330 -1.816 18 HD2 PHE 3 HD2 PHE 3 -22.153 27.435 -2.526 19 HE1 PHE 3 HE1 PHE 3 -24.884 23.447 -3.459 20 HE2 PHE 3 HE2 PHE 3 -23.981 27.553 -4.168 21 HZ PHE 3 HZ PHE 3 -25.351 25.559 -4.635 22 HB2 PHE 3 2HB PHE 3 -20.652 26.091 -1.267 23 HB3 PHE 3 3HB PHE 3 -20.866 24.348 -1.157 24 H LYS 4 H LYS 4 -21.140 23.346 1.656 25 HA LYS 4 HA LYS 4 -19.018 24.682 3.220 26 HB2 LYS 4 2HB LYS 4 -20.612 22.191 3.891 27 HB3 LYS 4 3HB LYS 4 -19.342 22.879 4.891 28 HG2 LYS 4 2HG LYS 4 -21.358 23.561 5.876 29 HG3 LYS 4 3HG LYS 4 -20.762 24.980 5.018 30 HD2 LYS 4 2HD LYS 4 -22.298 24.506 3.165 31 HD3 LYS 4 3HD LYS 4 -22.881 23.072 4.011 32 HE2 LYS 4 2HE LYS 4 -23.122 25.924 4.979 33 HE3 LYS 4 3HE LYS 4 -24.419 24.957 4.279 34 HZ1 LYS 4 3HZ LYS 4 -24.588 24.946 6.656 35 HZ2 LYS 4 1HZ LYS 4 -22.993 24.406 6.825 36 HZ3 LYS 4 2HZ LYS 4 -24.159 23.398 6.136 37 H LEU 5 H LEU 5 -18.866 23.288 0.495 38 HA LEU 5 HA LEU 5 -17.674 20.774 0.712 39 HG LEU 5 HG LEU 5 -18.618 21.221 -2.834 40 HB2 LEU 5 2HB LEU 5 -17.502 22.904 -1.401 41 HB3 LEU 5 3HB LEU 5 -16.599 21.411 -1.557 42 HD11 LEU 5 1HD1 LEU 5 -18.865 19.612 -0.293 43 HD12 LEU 5 2HD1 LEU 5 -17.884 19.202 -1.702 44 HD13 LEU 5 3HD1 LEU 5 -19.640 19.243 -1.835 45 HD21 LEU 5 3HD2 LEU 5 -19.990 22.900 -1.783 46 HD22 LEU 5 1HD2 LEU 5 -20.103 21.943 -0.305 47 HD23 LEU 5 2HD2 LEU 5 -20.855 21.366 -1.793 48 H ARG 6 H ARG 6 -15.803 20.078 1.425 49 HA ARG 6 HA ARG 6 -13.642 21.788 2.213 50 HE ARG 6 HE ARG 6 -9.869 19.355 4.110 51 HB2 ARG 6 2HB ARG 6 -14.134 19.715 3.412 52 HB3 ARG 6 3HB ARG 6 -13.856 18.774 1.956 53 HG2 ARG 6 2HG ARG 6 -11.950 18.496 3.316 54 HG3 ARG 6 3HG ARG 6 -11.472 19.577 2.010 55 HD2 ARG 6 2HD ARG 6 -11.541 21.479 3.452 56 HD3 ARG 6 3HD ARG 6 -12.330 20.556 4.734 57 HH11 ARG 6 1HH1 ARG 6 -11.035 22.246 5.604 58 HH12 ARG 6 2HH1 ARG 6 -9.685 22.348 6.678 59 HH21 ARG 6 1HH2 ARG 6 -8.168 19.510 5.482 60 HH22 ARG 6 2HH2 ARG 6 -8.068 20.829 6.599 61 H GLY 7 H GLY 7 -12.400 22.764 0.701 62 HA2 GLY 7 2HA GLY 7 -12.260 21.889 -2.004 63 HA3 GLY 7 3HA GLY 7 -11.333 23.197 -1.291 64 H GLN 8 H GLN 8 -9.761 21.973 0.551 65 HA GLN 8 HA GLN 8 -7.845 20.624 -1.129 66 HB2 GLN 8 2HB GLN 8 -6.426 20.617 0.930 67 HB3 GLN 8 3HB GLN 8 -6.998 22.210 0.460 68 HG2 GLN 8 2HG GLN 8 -8.776 22.040 2.173 69 HG3 GLN 8 3HG GLN 8 -8.101 20.493 2.681 70 HE21 GLN 8 1HE2 GLN 8 -5.332 21.380 2.311 71 HE22 GLN 8 2HE2 GLN 8 -5.005 22.448 3.628 72 H VAL 9 H VAL 9 -7.475 18.494 -1.320 73 HA VAL 9 HA VAL 9 -9.259 16.554 -0.417 74 HB VAL 9 HB VAL 9 -7.793 16.199 -2.344 75 HG11 VAL 9 1HG1 VAL 9 -5.427 15.625 -2.075 76 HG12 VAL 9 2HG1 VAL 9 -5.539 15.948 -0.344 77 HG13 VAL 9 3HG1 VAL 9 -5.761 17.260 -1.502 78 HG21 VAL 9 3HG2 VAL 9 -7.172 13.859 -1.921 79 HG22 VAL 9 1HG2 VAL 9 -8.768 14.239 -1.270 80 HG23 VAL 9 2HG2 VAL 9 -7.380 14.119 -0.187 81 H SER 10 H SER 10 -6.226 17.635 1.025 82 HA SER 10 HA SER 10 -7.006 16.836 3.634 83 HG SER 10 HG SER 10 -4.667 14.289 4.466 84 HB2 SER 10 2HB SER 10 -6.324 14.597 2.704 85 HB3 SER 10 3HB SER 10 -4.696 15.237 2.493 86 H GLU 11 H GLU 11 -5.067 17.064 5.203 87 HA GLU 11 HA GLU 11 -2.980 18.855 4.264 88 HB2 GLU 11 2HB GLU 11 -3.498 20.682 5.736 89 HB3 GLU 11 3HB GLU 11 -4.924 20.349 4.765 90 HG2 GLU 11 2HG GLU 11 -5.969 19.195 6.630 91 HG3 GLU 11 3HG GLU 11 -4.513 19.403 7.603 92 H LEU 12 H LEU 12 -1.390 19.339 5.944 93 HA LEU 12 HA LEU 12 -1.502 17.781 8.387 94 HG LEU 12 HG LEU 12 -0.521 16.887 5.097 95 HB2 LEU 12 2HB LEU 12 1.014 17.077 7.700 96 HB3 LEU 12 3HB LEU 12 -0.389 16.060 7.451 97 HD11 LEU 12 1HD1 LEU 12 1.401 18.034 4.121 98 HD12 LEU 12 2HD1 LEU 12 2.127 18.192 5.723 99 HD13 LEU 12 3HD1 LEU 12 0.614 19.021 5.354 100 HD21 LEU 12 3HD2 LEU 12 1.400 15.584 4.288 101 HD22 LEU 12 1HD2 LEU 12 0.551 14.768 5.603 102 HD23 LEU 12 2HD2 LEU 12 2.079 15.590 5.916 103 HA PRO 13 HA PRO 13 0.446 21.453 9.859 104 HB2 PRO 13 2HB PRO 13 1.228 20.071 12.305 105 HB3 PRO 13 3HB PRO 13 -0.056 21.256 12.064 106 HG2 PRO 13 2HG PRO 13 -0.533 18.630 12.615 107 HG3 PRO 13 3HG PRO 13 -1.647 19.650 11.686 108 HD2 PRO 13 2HD PRO 13 0.346 17.631 10.698 109 HD3 PRO 13 3HD PRO 13 -1.315 17.943 10.146 110 H PHE 14 H PHE 14 2.225 19.180 8.563 111 HA PHE 14 HA PHE 14 4.777 20.330 9.417 112 HD1 PHE 14 HD2 PHE 14 4.999 16.471 7.652 113 HD2 PHE 14 HD1 PHE 14 2.674 17.189 11.150 114 HE1 PHE 14 HE2 PHE 14 3.661 14.463 7.175 115 HE2 PHE 14 HE1 PHE 14 1.336 15.180 10.674 116 HZ PHE 14 HZ PHE 14 1.830 13.814 8.684 117 HB2 PHE 14 2HB PHE 14 5.777 17.999 9.463 118 HB3 PHE 14 3HB PHE 14 4.700 18.392 10.796 119 H GLU 15 H GLU 15 6.597 19.143 7.950 120 HA GLU 15 HA GLU 15 5.584 18.774 5.226 121 HB2 GLU 15 2HB GLU 15 7.215 20.346 4.280 122 HB3 GLU 15 3HB GLU 15 6.089 21.159 5.358 123 HG2 GLU 15 2HG GLU 15 7.802 21.101 7.134 124 HG3 GLU 15 3HG GLU 15 8.926 20.369 5.993 125 H ARG 16 H ARG 16 8.589 18.853 7.191 126 HA ARG 16 HA ARG 16 9.929 17.084 5.345 127 HE ARG 16 HE ARG 16 12.524 21.079 5.137 128 HB2 ARG 16 2HB ARG 16 10.796 17.983 8.103 129 HB3 ARG 16 3HB ARG 16 11.813 17.198 6.903 130 HG2 ARG 16 2HG ARG 16 10.566 19.935 6.679 131 HG3 ARG 16 3HG ARG 16 12.265 19.575 6.976 132 HD2 ARG 16 2HD ARG 16 12.322 18.404 4.759 133 HD3 ARG 16 3HD ARG 16 10.683 18.989 4.472 134 HH11 ARG 16 1HH1 ARG 16 11.275 19.182 2.543 135 HH12 ARG 16 2HH1 ARG 16 11.727 20.343 1.346 136 HH21 ARG 16 1HH2 ARG 16 13.109 22.533 3.588 137 HH22 ARG 16 2HH2 ARG 16 12.757 22.208 1.928 138 H VAL 17 H VAL 17 9.315 15.014 5.258 139 HA VAL 17 HA VAL 17 8.963 13.540 7.802 140 HB VAL 17 HB VAL 17 7.491 11.959 6.556 141 HG11 VAL 17 1HG1 VAL 17 6.572 14.835 6.584 142 HG12 VAL 17 2HG1 VAL 17 6.526 13.711 7.943 143 HG13 VAL 17 3HG1 VAL 17 5.521 13.419 6.522 144 HG21 VAL 17 3HG2 VAL 17 8.264 12.392 4.279 145 HG22 VAL 17 1HG2 VAL 17 7.627 14.035 4.357 146 HG23 VAL 17 2HG2 VAL 17 6.525 12.657 4.404 147 H TYR 18 H TYR 18 10.309 11.895 8.174 148 HA TYR 18 HA TYR 18 12.115 11.027 6.029 149 HD1 TYR 18 HD1 TYR 18 14.522 10.439 6.078 150 HD2 TYR 18 HD2 TYR 18 13.243 8.668 9.735 151 HE1 TYR 18 HE1 TYR 18 16.245 8.704 5.835 152 HE2 TYR 18 HE2 TYR 18 14.965 6.925 9.498 153 HH TYR 18 HH TYR 18 17.470 7.135 7.119 154 HB2 TYR 18 2HB TYR 18 13.204 11.718 8.078 155 HB3 TYR 18 3HB TYR 18 12.209 10.618 9.025 156 H ILE 19 H ILE 19 11.459 9.310 4.867 157 HA ILE 19 HA ILE 19 9.885 7.196 6.175 158 HB ILE 19 HB ILE 19 8.961 8.141 4.081 159 HG12 ILE 19 2HG1 ILE 19 9.844 5.247 3.834 160 HG13 ILE 19 3HG1 ILE 19 8.430 5.815 4.717 161 HG21 ILE 19 1HG2 ILE 19 11.409 6.964 2.756 162 HG22 ILE 19 2HG2 ILE 19 11.074 8.682 2.969 163 HG23 ILE 19 3HG2 ILE 19 10.036 7.704 1.932 164 HD11 ILE 19 3HD1 ILE 19 7.470 6.624 2.604 165 HD12 ILE 19 1HD1 ILE 19 7.786 4.889 2.585 166 HD13 ILE 19 2HD1 ILE 19 8.875 5.994 1.743 167 H THR 20 H THR 20 10.569 5.057 6.223 168 HA THR 20 HA THR 20 13.158 4.376 5.026 169 HB THR 20 HB THR 20 14.008 4.984 7.112 170 HG1 THR 20 HG1 THR 20 13.405 2.265 7.669 171 HG21 THR 20 3HG2 THR 20 12.995 4.405 9.275 172 HG22 THR 20 1HG2 THR 20 11.656 3.619 8.437 173 HG23 THR 20 2HG2 THR 20 11.891 5.360 8.282 174 H ALA 21 H ALA 21 12.431 2.784 3.696 175 HA ALA 21 HA ALA 21 10.790 0.618 4.755 176 HB1 ALA 21 3HB ALA 21 10.869 -0.294 2.488 177 HB2 ALA 21 1HB ALA 21 12.028 0.950 2.017 178 HB3 ALA 21 2HB ALA 21 10.385 1.401 2.469 179 HA PRO 22 HA PRO 22 14.624 -1.224 6.238 180 HB2 PRO 22 2HB PRO 22 13.503 -3.377 7.473 181 HB3 PRO 22 3HB PRO 22 13.459 -1.743 8.150 182 HG2 PRO 22 2HG PRO 22 11.354 -3.192 6.567 183 HG3 PRO 22 3HG PRO 22 11.170 -2.261 8.067 184 HD2 PRO 22 2HD PRO 22 10.557 -1.201 5.678 185 HD3 PRO 22 3HD PRO 22 11.290 -0.220 6.965 186 H ALA 23 H ALA 23 12.902 -2.270 3.638 187 HA ALA 23 HA ALA 23 14.918 -4.269 2.987 188 HB1 ALA 23 3HB ALA 23 13.139 -5.576 4.067 189 HB2 ALA 23 1HB ALA 23 13.298 -5.983 2.356 190 HB3 ALA 23 2HB ALA 23 11.974 -4.951 2.898 191 H GLY 24 H GLY 24 13.970 -1.545 2.044 192 HA2 GLY 24 2HA GLY 24 13.470 -0.416 0.097 193 HA3 GLY 24 3HA GLY 24 14.324 -1.731 -0.698 194 H LEU 25 H LEU 25 11.158 -0.930 0.698 195 HA LEU 25 HA LEU 25 9.876 -3.018 -0.898 196 HG LEU 25 HG LEU 25 10.500 -2.816 2.142 197 HB2 LEU 25 2HB LEU 25 8.737 -1.249 1.275 198 HB3 LEU 25 3HB LEU 25 7.937 -2.629 0.544 199 HD11 LEU 25 1HD1 LEU 25 7.672 -3.397 3.014 200 HD12 LEU 25 2HD1 LEU 25 8.683 -2.066 3.574 201 HD13 LEU 25 3HD1 LEU 25 9.134 -3.729 3.944 202 HD21 LEU 25 3HD2 LEU 25 8.594 -4.939 1.155 203 HD22 LEU 25 1HD2 LEU 25 9.999 -5.215 2.186 204 HD23 LEU 25 2HD2 LEU 25 10.216 -4.626 0.538 205 H THR 26 H THR 26 8.394 -2.661 -2.487 206 HA THR 26 HA THR 26 8.248 -0.330 -3.976 207 HB THR 26 HB THR 26 6.141 -1.202 -4.951 208 HG1 THR 26 HG1 THR 26 4.931 -2.500 -3.809 209 HG21 THR 26 3HG2 THR 26 7.014 -3.356 -5.758 210 HG22 THR 26 1HG2 THR 26 8.234 -3.338 -4.485 211 HG23 THR 26 2HG2 THR 26 8.265 -2.114 -5.756 212 H ILE 27 H ILE 27 5.796 -1.474 -1.647 213 HA ILE 27 HA ILE 27 4.014 0.566 -1.565 214 HB ILE 27 HB ILE 27 3.774 -1.421 -0.191 215 HG12 ILE 27 2HG1 ILE 27 3.015 -0.362 1.968 216 HG13 ILE 27 3HG1 ILE 27 3.743 1.145 1.426 217 HG21 ILE 27 1HG2 ILE 27 6.088 -1.712 0.491 218 HG22 ILE 27 2HG2 ILE 27 5.020 -1.732 1.893 219 HG23 ILE 27 3HG2 ILE 27 5.978 -0.296 1.536 220 HD11 ILE 27 3HD1 ILE 27 2.221 1.193 -0.481 221 HD12 ILE 27 1HD1 ILE 27 1.345 1.126 1.047 222 HD13 ILE 27 2HD1 ILE 27 1.500 -0.324 0.057 223 H GLY 28 H GLY 28 7.247 0.639 -0.136 224 HA2 GLY 28 2HA GLY 28 6.865 3.186 1.176 225 HA3 GLY 28 3HA GLY 28 8.379 2.311 1.010 226 H SER 29 H SER 29 8.586 2.084 -1.745 227 HA SER 29 HA SER 29 9.703 4.599 -2.403 228 HG SER 29 HG SER 29 10.003 4.538 -5.031 229 HB2 SER 29 2HB SER 29 10.428 2.336 -3.294 230 HB3 SER 29 3HB SER 29 9.046 2.406 -4.383 231 H ASP 30 H ASP 30 6.700 3.017 -3.447 232 HA ASP 30 HA ASP 30 5.813 5.104 -5.150 233 HB2 ASP 30 2HB ASP 30 4.302 2.925 -3.685 234 HB3 ASP 30 3HB ASP 30 3.536 4.042 -4.812 235 H LEU 31 H LEU 31 5.333 4.462 -1.691 236 HA LEU 31 HA LEU 31 3.510 6.491 -1.095 237 HG LEU 31 HG LEU 31 4.802 7.438 1.663 238 HB2 LEU 31 2HB LEU 31 4.146 4.726 0.484 239 HB3 LEU 31 3HB LEU 31 5.753 5.413 0.622 240 HD11 LEU 31 1HD1 LEU 31 2.608 7.420 0.603 241 HD12 LEU 31 2HD1 LEU 31 2.465 7.491 2.358 242 HD13 LEU 31 3HD1 LEU 31 2.168 5.972 1.509 243 HD21 LEU 31 3HD2 LEU 31 4.159 6.419 3.798 244 HD22 LEU 31 1HD2 LEU 31 5.560 5.616 3.087 245 HD23 LEU 31 2HD2 LEU 31 3.969 4.858 2.998 246 H GLU 32 H GLU 32 7.060 6.620 -1.200 247 HA GLU 32 HA GLU 32 7.583 9.198 -0.412 248 HB2 GLU 32 2HB GLU 32 8.817 7.697 -2.739 249 HB3 GLU 32 3HB GLU 32 9.495 9.152 -2.023 250 HG2 GLU 32 2HG GLU 32 9.849 7.999 0.078 251 HG3 GLU 32 3HG GLU 32 9.068 6.551 -0.558 252 H ARG 33 H ARG 33 6.416 8.129 -3.576 253 HA ARG 33 HA ARG 33 6.481 10.720 -4.805 254 HE ARG 33 HE ARG 33 8.613 6.529 -7.275 255 HB2 ARG 33 2HB ARG 33 4.813 8.354 -5.684 256 HB3 ARG 33 3HB ARG 33 5.441 9.663 -6.680 257 HG2 ARG 33 2HG ARG 33 7.684 8.853 -6.445 258 HG3 ARG 33 3HG ARG 33 7.169 7.644 -5.266 259 HD2 ARG 33 2HD ARG 33 5.684 6.701 -7.102 260 HD3 ARG 33 3HD ARG 33 6.571 7.744 -8.215 261 HH11 ARG 33 1HH1 ARG 33 5.530 5.080 -7.760 262 HH12 ARG 33 2HH1 ARG 33 6.169 3.479 -7.806 263 HH21 ARG 33 1HH2 ARG 33 9.423 4.484 -7.374 264 HH22 ARG 33 2HH2 ARG 33 8.355 3.143 -7.610 265 H VAL 34 H VAL 34 3.876 8.646 -3.556 266 HA VAL 34 HA VAL 34 1.701 10.264 -4.182 267 HB VAL 34 HB VAL 34 2.014 8.346 -1.862 268 HG11 VAL 34 1HG1 VAL 34 0.129 9.842 -1.461 269 HG12 VAL 34 2HG1 VAL 34 -0.437 8.219 -1.846 270 HG13 VAL 34 3HG1 VAL 34 -0.511 9.489 -3.067 271 HG21 VAL 34 3HG2 VAL 34 2.397 7.298 -4.025 272 HG22 VAL 34 1HG2 VAL 34 0.881 7.961 -4.639 273 HG23 VAL 34 2HG2 VAL 34 0.861 6.757 -3.350 274 H ILE 35 H ILE 35 3.581 10.203 -1.137 275 HA ILE 35 HA ILE 35 2.163 12.262 0.175 276 HB ILE 35 HB ILE 35 5.070 11.466 0.476 277 HG12 ILE 35 2HG1 ILE 35 3.498 9.631 0.933 278 HG13 ILE 35 3HG1 ILE 35 4.292 10.164 2.409 279 HG21 ILE 35 1HG2 ILE 35 4.674 13.716 1.367 280 HG22 ILE 35 2HG2 ILE 35 5.000 12.562 2.660 281 HG23 ILE 35 3HG2 ILE 35 3.347 13.096 2.352 282 HD11 ILE 35 3HD1 ILE 35 1.507 10.932 1.561 283 HD12 ILE 35 1HD1 ILE 35 2.303 11.377 3.070 284 HD13 ILE 35 2HD1 ILE 35 1.917 9.688 2.739 285 H SER 36 H SER 36 5.250 12.438 -1.623 286 HA SER 36 HA SER 36 5.689 15.184 -1.281 287 HG SER 36 HG SER 36 6.944 15.913 -3.491 288 HB2 SER 36 2HB SER 36 7.433 13.584 -1.994 289 HB3 SER 36 3HB SER 36 6.651 13.437 -3.565 290 H THR 37 H THR 37 3.665 13.547 -3.618 291 HA THR 37 HA THR 37 3.414 15.957 -5.269 292 HB THR 37 HB THR 37 2.045 14.564 -6.789 293 HG1 THR 37 HG1 THR 37 2.740 12.210 -5.461 294 HG21 THR 37 3HG2 THR 37 4.488 14.662 -7.090 295 HG22 THR 37 1HG2 THR 37 3.842 13.092 -7.570 296 HG23 THR 37 2HG2 THR 37 4.672 13.268 -6.026 297 H HIS 38 H HIS 38 1.268 13.807 -3.360 298 HA HIS 38 HA HIS 38 -1.054 15.381 -4.035 299 HD1 HIS 38 HD1 HIS 38 -3.374 13.317 -4.736 300 HD2 HIS 38 HD2 HIS 38 0.333 11.498 -4.299 301 HE1 HIS 38 HE1 HIS 38 -3.229 11.637 -6.590 302 HE2 HIS 38 HE2 HIS 38 -0.901 10.707 -6.430 303 HB2 HIS 38 2HB HIS 38 -0.705 13.042 -2.155 304 HB3 HIS 38 3HB HIS 38 -2.252 13.817 -2.482 305 H THR 39 H THR 39 1.001 15.102 -1.144 306 HA THR 39 HA THR 39 -0.705 17.120 0.186 307 HB THR 39 HB THR 39 0.575 16.603 2.263 308 HG1 THR 39 HG1 THR 39 2.208 15.349 0.612 309 HG21 THR 39 3HG2 THR 39 -1.576 15.534 1.866 310 HG22 THR 39 1HG2 THR 39 -0.476 14.436 2.701 311 HG23 THR 39 2HG2 THR 39 -0.780 14.233 0.975 312 H ARG 40 H ARG 40 0.512 18.680 1.611 313 HA ARG 40 HA ARG 40 2.371 20.208 0.083 314 HE ARG 40 HE ARG 40 3.957 24.258 1.701 315 HB2 ARG 40 2HB ARG 40 0.726 21.184 1.659 316 HB3 ARG 40 3HB ARG 40 1.594 20.458 3.001 317 HG2 ARG 40 2HG ARG 40 2.167 22.779 2.871 318 HG3 ARG 40 3HG ARG 40 3.578 21.827 2.408 319 HD2 ARG 40 2HD ARG 40 3.191 22.284 0.074 320 HD3 ARG 40 3HD ARG 40 1.649 23.065 0.439 321 HH11 ARG 40 1HH1 ARG 40 1.906 24.281 -1.074 322 HH12 ARG 40 2HH1 ARG 40 2.263 25.930 -1.447 323 HH21 ARG 40 1HH2 ARG 40 4.394 26.357 1.213 324 HH22 ARG 40 2HH2 ARG 40 3.634 27.107 -0.146 325 H ALA 41 H ALA 41 2.755 17.634 2.327 326 HA ALA 41 HA ALA 41 5.261 18.355 3.460 327 HB1 ALA 41 3HB ALA 41 3.975 15.631 3.274 328 HB2 ALA 41 1HB ALA 41 3.710 16.810 4.558 329 HB3 ALA 41 2HB ALA 41 5.303 16.086 4.343 330 H LYS 42 H LYS 42 7.330 17.491 3.087 331 HA LYS 42 HA LYS 42 7.743 16.099 0.521 332 HB2 LYS 42 2HB LYS 42 8.389 18.467 0.295 333 HB3 LYS 42 3HB LYS 42 9.481 18.304 1.664 334 HG2 LYS 42 2HG LYS 42 10.649 18.240 -0.510 335 HG3 LYS 42 3HG LYS 42 10.876 16.760 0.429 336 HD2 LYS 42 2HD LYS 42 9.173 15.629 -0.910 337 HD3 LYS 42 3HD LYS 42 8.872 17.117 -1.810 338 HE2 LYS 42 2HE LYS 42 11.157 17.054 -2.687 339 HE3 LYS 42 3HE LYS 42 11.476 15.579 -1.771 340 HZ1 LYS 42 3HZ LYS 42 9.882 14.404 -3.066 341 HZ2 LYS 42 1HZ LYS 42 10.901 15.214 -4.141 342 HZ3 LYS 42 2HZ LYS 42 9.351 15.813 -3.832 343 H VAL 43 H VAL 43 9.068 14.367 0.568 344 HA VAL 43 HA VAL 43 9.857 13.280 3.093 345 HB VAL 43 HB VAL 43 10.464 12.303 0.292 346 HG11 VAL 43 1HG1 VAL 43 12.011 11.352 1.922 347 HG12 VAL 43 2HG1 VAL 43 10.886 10.125 1.344 348 HG13 VAL 43 3HG1 VAL 43 10.659 10.851 2.936 349 HG21 VAL 43 3HG2 VAL 43 8.588 10.754 0.651 350 HG22 VAL 43 1HG2 VAL 43 8.061 12.437 0.725 351 HG23 VAL 43 2HG2 VAL 43 8.266 11.510 2.213 352 H VAL 44 H VAL 44 11.833 13.178 4.053 353 HA VAL 44 HA VAL 44 14.153 14.326 2.624 354 HB VAL 44 HB VAL 44 15.196 14.623 4.872 355 HG11 VAL 44 1HG1 VAL 44 13.836 16.567 5.537 356 HG12 VAL 44 2HG1 VAL 44 12.551 16.021 4.457 357 HG13 VAL 44 3HG1 VAL 44 14.114 16.505 3.797 358 HG21 VAL 44 3HG2 VAL 44 13.977 12.938 6.124 359 HG22 VAL 44 1HG2 VAL 44 12.465 13.821 5.892 360 HG23 VAL 44 2HG2 VAL 44 13.754 14.520 6.874 361 H ASN 45 H ASN 45 16.100 13.220 2.568 362 HA ASN 45 HA ASN 45 15.865 10.358 2.634 363 HB2 ASN 45 2HB ASN 45 17.092 11.607 0.863 364 HB3 ASN 45 3HB ASN 45 18.306 12.054 2.057 365 HD21 ASN 45 1HD2 ASN 45 16.938 9.430 0.211 366 HD22 ASN 45 2HD2 ASN 45 18.241 8.327 0.464 367 H LYS 46 H LYS 46 16.777 12.611 4.995 368 HA LYS 46 HA LYS 46 17.819 10.483 6.689 369 HB2 LYS 46 2HB LYS 46 19.806 11.670 7.376 370 HB3 LYS 46 3HB LYS 46 19.832 11.466 5.632 371 HG2 LYS 46 2HG LYS 46 19.002 13.993 7.039 372 HG3 LYS 46 3HG LYS 46 20.622 13.682 6.424 373 HD2 LYS 46 2HD LYS 46 19.635 13.418 4.144 374 HD3 LYS 46 3HD LYS 46 18.070 13.887 4.812 375 HE2 LYS 46 2HE LYS 46 19.222 15.776 3.737 376 HE3 LYS 46 3HE LYS 46 18.964 16.053 5.461 377 HZ1 LYS 46 3HZ LYS 46 21.181 16.714 4.808 378 HZ2 LYS 46 1HZ LYS 46 21.505 15.171 4.195 379 HZ3 LYS 46 2HZ LYS 46 21.270 15.392 5.855 380 H ALA 47 H ALA 47 17.636 10.879 8.932 381 HA ALA 47 HA ALA 47 15.331 12.522 9.518 382 HB1 ALA 47 3HB ALA 47 15.275 11.353 11.640 383 HB2 ALA 47 1HB ALA 47 16.879 10.681 11.340 384 HB3 ALA 47 2HB ALA 47 15.520 10.205 10.324 385 H GLU 48 H GLU 48 18.270 13.665 9.244 386 HA GLU 48 HA GLU 48 18.764 14.885 11.789 387 HB2 GLU 48 2HB GLU 48 20.477 16.146 10.707 388 HB3 GLU 48 3HB GLU 48 20.496 14.543 9.982 389 HG2 GLU 48 2HG GLU 48 19.224 15.416 8.066 390 HG3 GLU 48 3HG GLU 48 19.250 17.019 8.791 391 H LYS 49 H LYS 49 16.504 15.482 9.346 392 HA LYS 49 HA LYS 49 15.623 17.951 10.596 393 HB2 LYS 49 2HB LYS 49 17.280 18.697 8.913 394 HB3 LYS 49 3HB LYS 49 16.371 17.867 7.659 395 HG2 LYS 49 2HG LYS 49 14.468 19.365 8.050 396 HG3 LYS 49 3HG LYS 49 15.389 20.199 9.307 397 HD2 LYS 49 2HD LYS 49 17.075 20.845 7.646 398 HD3 LYS 49 3HD LYS 49 16.171 19.997 6.390 399 HE2 LYS 49 2HE LYS 49 14.279 21.520 6.731 400 HE3 LYS 49 3HE LYS 49 15.184 22.367 7.986 401 HZ1 LYS 49 3HZ LYS 49 16.841 22.959 6.326 402 HZ2 LYS 49 1HZ LYS 49 15.311 23.532 5.885 403 HZ3 LYS 49 2HZ LYS 49 15.956 22.164 5.124 404 H SER 50 H SER 50 13.686 16.955 11.119 405 HA SER 50 HA SER 50 11.700 16.679 9.086 406 HG SER 50 HG SER 50 12.569 14.266 11.444 407 HB2 SER 50 2HB SER 50 11.263 14.256 9.326 408 HB3 SER 50 3HB SER 50 12.869 14.559 8.665 409 H GLU 51 H GLU 51 9.697 16.937 9.942 410 HA GLU 51 HA GLU 51 9.392 17.211 12.793 411 HB2 GLU 51 2HB GLU 51 7.364 17.362 10.551 412 HB3 GLU 51 3HB GLU 51 6.978 17.659 12.238 413 HG2 GLU 51 2HG GLU 51 7.235 19.785 11.350 414 HG3 GLU 51 3HG GLU 51 8.782 19.480 12.137 415 H ALA 52 H ALA 52 8.576 14.775 10.393 416 HA ALA 52 HA ALA 52 7.729 12.952 12.539 417 HB1 ALA 52 3HB ALA 52 5.678 13.939 11.613 418 HB2 ALA 52 1HB ALA 52 5.778 12.207 11.286 419 HB3 ALA 52 2HB ALA 52 6.134 13.369 10.008 420 H ILE 53 H ILE 53 7.633 10.660 11.817 421 HA ILE 53 HA ILE 53 9.439 10.078 9.556 422 HB ILE 53 HB ILE 53 9.643 8.923 12.348 423 HG12 ILE 53 2HG1 ILE 53 11.587 10.552 10.683 424 HG13 ILE 53 3HG1 ILE 53 10.707 11.115 12.098 425 HG21 ILE 53 1HG2 ILE 53 11.167 8.119 9.865 426 HG22 ILE 53 2HG2 ILE 53 9.953 7.148 10.699 427 HG23 ILE 53 3HG2 ILE 53 11.476 7.534 11.501 428 HD11 ILE 53 3HD1 ILE 53 11.933 9.563 13.502 429 HD12 ILE 53 1HD1 ILE 53 13.034 10.608 12.603 430 HD13 ILE 53 2HD1 ILE 53 12.787 8.938 12.090 431 H ILE 54 H ILE 54 8.772 8.455 8.270 432 HA ILE 54 HA ILE 54 6.440 6.863 9.122 433 HB ILE 54 HB ILE 54 7.437 7.387 6.311 434 HG12 ILE 54 2HG1 ILE 54 5.050 8.575 7.765 435 HG13 ILE 54 3HG1 ILE 54 6.550 9.426 7.413 436 HG21 ILE 54 1HG2 ILE 54 5.274 6.428 5.608 437 HG22 ILE 54 2HG2 ILE 54 4.911 6.045 7.291 438 HG23 ILE 54 3HG2 ILE 54 6.269 5.262 6.483 439 HD11 ILE 54 3HD1 ILE 54 4.812 10.039 5.843 440 HD12 ILE 54 1HD1 ILE 54 4.606 8.348 5.380 441 HD13 ILE 54 2HD1 ILE 54 6.117 9.186 5.018 442 H GLN 55 H GLN 55 7.210 5.006 10.022 443 HA GLN 55 HA GLN 55 9.393 3.567 8.661 444 HB2 GLN 55 2HB GLN 55 9.157 4.158 11.298 445 HB3 GLN 55 3HB GLN 55 8.382 2.583 11.280 446 HG2 GLN 55 2HG GLN 55 11.189 3.218 10.375 447 HG3 GLN 55 3HG GLN 55 10.726 2.390 11.855 448 HE21 GLN 55 1HE2 GLN 55 8.680 0.757 10.567 449 HE22 GLN 55 2HE2 GLN 55 9.523 -0.409 9.615 450 H ILE 56 H ILE 56 8.201 2.603 6.982 451 HA ILE 56 HA ILE 56 5.876 1.002 7.506 452 HB ILE 56 HB ILE 56 6.367 2.108 5.303 453 HG12 ILE 56 2HG1 ILE 56 4.751 0.141 5.603 454 HG13 ILE 56 3HG1 ILE 56 5.305 0.469 3.968 455 HG21 ILE 56 1HG2 ILE 56 8.729 1.632 5.117 456 HG22 ILE 56 2HG2 ILE 56 7.873 0.995 3.713 457 HG23 ILE 56 3HG2 ILE 56 8.401 -0.096 4.995 458 HD11 ILE 56 3HD1 ILE 56 6.908 -1.373 4.152 459 HD12 ILE 56 1HD1 ILE 56 5.242 -1.904 4.395 460 HD13 ILE 56 2HD1 ILE 56 6.316 -1.713 5.779 461 H VAL 57 H VAL 57 5.759 -1.141 8.001 462 HA VAL 57 HA VAL 57 8.245 -2.398 8.850 463 HB VAL 57 HB VAL 57 5.417 -3.399 9.257 464 HG11 VAL 57 1HG1 VAL 57 8.002 -4.081 10.667 465 HG12 VAL 57 2HG1 VAL 57 7.099 -5.129 9.573 466 HG13 VAL 57 3HG1 VAL 57 6.403 -4.668 11.125 467 HG21 VAL 57 3HG2 VAL 57 7.111 -1.649 11.054 468 HG22 VAL 57 1HG2 VAL 57 5.576 -2.391 11.512 469 HG23 VAL 57 2HG2 VAL 57 5.623 -1.178 10.232 470 H HIS 58 H HIS 58 5.341 -3.833 7.289 471 HA HIS 58 HA HIS 58 7.023 -5.085 5.251 472 HD1 HIS 58 HD1 HIS 58 8.572 -7.423 5.322 473 HD2 HIS 58 HD2 HIS 58 7.299 -6.897 9.241 474 HE1 HIS 58 HE1 HIS 58 10.543 -8.018 6.756 475 HE2 HIS 58 HE2 HIS 58 9.813 -7.463 9.097 476 HB2 HIS 58 2HB HIS 58 5.414 -6.660 7.270 477 HB3 HIS 58 3HB HIS 58 5.897 -7.333 5.720 478 H ALA 59 H ALA 59 5.808 -6.100 3.526 479 HA ALA 59 HA ALA 59 2.969 -5.288 3.352 480 HB1 ALA 59 3HB ALA 59 4.372 -3.832 1.948 481 HB2 ALA 59 1HB ALA 59 3.273 -4.814 0.981 482 HB3 ALA 59 2HB ALA 59 4.979 -5.249 1.093 483 H ILE 60 H ILE 60 1.954 -7.228 3.660 484 HA ILE 60 HA ILE 60 3.088 -9.655 2.443 485 HB ILE 60 HB ILE 60 0.913 -9.378 4.530 486 HG12 ILE 60 2HG1 ILE 60 3.113 -8.676 5.377 487 HG13 ILE 60 3HG1 ILE 60 2.608 -10.189 6.119 488 HG21 ILE 60 1HG2 ILE 60 2.314 -11.842 3.480 489 HG22 ILE 60 2HG2 ILE 60 0.617 -11.415 3.251 490 HG23 ILE 60 3HG2 ILE 60 1.219 -11.805 4.863 491 HD11 ILE 60 3HD1 ILE 60 4.611 -9.887 3.887 492 HD12 ILE 60 1HD1 ILE 60 4.095 -11.415 4.605 493 HD13 ILE 60 2HD1 ILE 60 4.963 -10.231 5.580 494 H ARG 61 H ARG 61 2.280 -10.281 0.522 495 HA ARG 61 HA ARG 61 -0.615 -9.961 0.047 496 HE ARG 61 HE ARG 61 4.327 -8.750 -3.130 497 HB2 ARG 61 2HB ARG 61 -0.160 -9.553 -2.356 498 HB3 ARG 61 3HB ARG 61 0.448 -8.282 -1.315 499 HG2 ARG 61 2HG ARG 61 2.203 -10.484 -2.376 500 HG3 ARG 61 3HG ARG 61 1.920 -8.979 -3.247 501 HD2 ARG 61 2HD ARG 61 2.780 -7.734 -1.273 502 HD3 ARG 61 3HD ARG 61 3.164 -9.279 -0.509 503 HH11 ARG 61 1HH1 ARG 61 4.787 -8.822 0.287 504 HH12 ARG 61 2HH1 ARG 61 6.508 -8.891 0.158 505 HH21 ARG 61 1HH2 ARG 61 6.527 -8.808 -3.276 506 HH22 ARG 61 2HH2 ARG 61 7.480 -8.892 -1.839 507 H GLU 62 H GLU 62 -1.688 -11.667 -0.797 508 HA GLU 62 HA GLU 62 -0.159 -14.021 -1.694 509 HB2 GLU 62 2HB GLU 62 -2.387 -14.093 0.361 510 HB3 GLU 62 3HB GLU 62 -1.606 -15.502 -0.340 511 HG2 GLU 62 2HG GLU 62 0.516 -14.838 0.688 512 HG3 GLU 62 3HG GLU 62 -0.268 -13.421 1.385 513 H LYS 63 H LYS 63 -1.372 -15.517 -2.977 514 HA LYS 63 HA LYS 63 -3.826 -14.380 -4.147 515 HB2 LYS 63 2HB LYS 63 -3.411 -15.905 -6.057 516 HB3 LYS 63 3HB LYS 63 -2.119 -14.744 -5.806 517 HG2 LYS 63 2HG LYS 63 -0.691 -16.411 -4.875 518 HG3 LYS 63 3HG LYS 63 -2.005 -17.587 -4.813 519 HD2 LYS 63 2HD LYS 63 -0.480 -18.003 -6.703 520 HD3 LYS 63 3HD LYS 63 -2.118 -17.630 -7.244 521 HE2 LYS 63 2HE LYS 63 -0.532 -16.456 -8.639 522 HE3 LYS 63 3HE LYS 63 -1.407 -15.288 -7.651 523 HZ1 LYS 63 3HZ LYS 63 0.461 -15.107 -6.189 524 HZ2 LYS 63 1HZ LYS 63 1.001 -14.866 -7.772 525 HZ3 LYS 63 2HZ LYS 63 1.292 -16.339 -6.995 526 H ARG 64 H ARG 64 -5.727 -15.334 -3.800 527 HA ARG 64 HA ARG 64 -5.818 -18.073 -2.715 528 HE ARG 64 HE ARG 64 -7.986 -16.199 1.064 529 HB2 ARG 64 2HB ARG 64 -7.173 -15.632 -1.533 530 HB3 ARG 64 3HB ARG 64 -7.455 -17.287 -1.004 531 HG2 ARG 64 2HG ARG 64 -5.228 -17.488 -0.175 532 HG3 ARG 64 3HG ARG 64 -4.746 -15.967 -0.929 533 HD2 ARG 64 2HD ARG 64 -5.110 -15.752 1.505 534 HD3 ARG 64 3HD ARG 64 -6.179 -14.719 0.558 535 HH11 ARG 64 1HH1 ARG 64 -5.087 -16.822 2.837 536 HH12 ARG 64 2HH1 ARG 64 -5.915 -17.697 4.076 537 HH21 ARG 64 1HH2 ARG 64 -9.030 -17.277 2.694 538 HH22 ARG 64 2HH2 ARG 64 -8.112 -17.942 4.003 539 H ILE 65 H ILE 65 -8.223 -18.783 -2.508 540 HA ILE 65 HA ILE 65 -9.651 -18.041 -4.962 541 HB ILE 65 HB ILE 65 -9.682 -20.434 -3.180 542 HG12 ILE 65 2HG1 ILE 65 -8.432 -20.379 -5.329 543 HG13 ILE 65 3HG1 ILE 65 -9.668 -21.633 -5.302 544 HG21 ILE 65 1HG2 ILE 65 -12.078 -19.646 -4.840 545 HG22 ILE 65 2HG2 ILE 65 -12.020 -19.786 -3.085 546 HG23 ILE 65 3HG2 ILE 65 -11.830 -21.221 -4.087 547 HD11 ILE 65 3HD1 ILE 65 -9.882 -18.953 -6.665 548 HD12 ILE 65 1HD1 ILE 65 -11.152 -20.177 -6.618 549 HD13 ILE 65 2HD1 ILE 65 -9.631 -20.513 -7.445 550 H LEU 66 H LEU 66 -11.496 -16.890 -4.978 551 HA LEU 66 HA LEU 66 -12.609 -15.969 -2.439 552 HG LEU 66 HG LEU 66 -15.114 -14.620 -3.650 553 HB2 LEU 66 2HB LEU 66 -12.160 -14.351 -4.254 554 HB3 LEU 66 3HB LEU 66 -13.306 -15.193 -5.281 555 HD11 LEU 66 1HD1 LEU 66 -13.759 -14.341 -1.652 556 HD12 LEU 66 2HD1 LEU 66 -14.680 -12.877 -1.982 557 HD13 LEU 66 3HD1 LEU 66 -12.958 -12.940 -2.366 558 HD21 LEU 66 3HD2 LEU 66 -14.764 -13.273 -5.656 559 HD22 LEU 66 1HD2 LEU 66 -13.589 -12.277 -4.795 560 HD23 LEU 66 2HD2 LEU 66 -15.284 -12.266 -4.306 561 H SER 67 H SER 67 -13.925 -17.335 -5.481 562 HA SER 67 HA SER 67 -16.050 -18.642 -3.894 563 HG SER 67 HG SER 67 -16.936 -15.561 -5.614 564 HB2 SER 67 2HB SER 67 -16.520 -17.351 -6.594 565 HB3 SER 67 3HB SER 67 -17.727 -18.053 -5.515 566 H LEU 68 H LEU 68 -16.805 -20.607 -4.643 567 HA LEU 68 HA LEU 68 -15.605 -21.727 -7.096 568 HG LEU 68 HG LEU 68 -13.867 -21.844 -4.530 569 HB2 LEU 68 2HB LEU 68 -15.972 -23.145 -4.444 570 HB3 LEU 68 3HB LEU 68 -15.525 -23.945 -5.940 571 HD11 LEU 68 1HD1 LEU 68 -12.356 -23.695 -3.989 572 HD12 LEU 68 2HD1 LEU 68 -13.505 -24.837 -4.689 573 HD13 LEU 68 3HD1 LEU 68 -13.944 -23.908 -3.255 574 HD21 LEU 68 3HD2 LEU 68 -12.107 -22.506 -6.119 575 HD22 LEU 68 1HD2 LEU 68 -13.505 -21.803 -6.932 576 HD23 LEU 68 2HD2 LEU 68 -13.263 -23.551 -6.948 577 H SER 69 H SER 69 -17.042 -22.753 -8.432 578 HA SER 69 HA SER 69 -19.845 -22.629 -7.823 579 HG SER 69 HG SER 69 -19.837 -21.580 -10.568 580 HB2 SER 69 2HB SER 69 -18.455 -23.910 -10.190 581 HB3 SER 69 3HB SER 69 -20.183 -23.588 -10.062 582 H GLU 70 H GLU 70 -19.285 -24.050 -5.839 583 HA GLU 70 HA GLU 70 -19.723 -25.919 -4.664 584 HB2 GLU 70 2HB GLU 70 -21.863 -25.751 -5.905 585 HB3 GLU 70 3HB GLU 70 -21.214 -26.826 -7.135 586 HG2 GLU 70 2HG GLU 70 -22.678 -28.009 -5.580 587 HG3 GLU 70 3HG GLU 70 -21.025 -28.618 -5.507 588 H SER 71 H SER 71 -19.429 -27.432 -7.899 589 HA SER 71 HA SER 71 -17.939 -29.634 -6.796 590 HG SER 71 HG SER 71 -19.895 -31.045 -8.406 591 HB2 SER 71 2HB SER 71 -18.593 -28.983 -9.685 592 HB3 SER 71 3HB SER 71 -17.968 -30.523 -9.096 593 H GLY 72 H GLY 72 -16.409 -27.350 -6.343 594 HA2 GLY 72 2HA GLY 72 -14.159 -26.859 -6.356 595 HA3 GLY 72 3HA GLY 72 -13.915 -28.208 -7.447 596 H ARG 73 H ARG 73 -16.084 -26.574 -9.141 597 HA ARG 73 HA ARG 73 -14.333 -25.566 -11.053 598 HE ARG 73 HE ARG 73 -16.391 -26.089 -13.971 599 HB2 ARG 73 2HB ARG 73 -16.591 -26.117 -11.651 600 HB3 ARG 73 3HB ARG 73 -17.242 -24.954 -10.504 601 HG2 ARG 73 2HG ARG 73 -17.452 -24.117 -12.760 602 HG3 ARG 73 3HG ARG 73 -16.322 -23.120 -11.847 603 HD2 ARG 73 2HD ARG 73 -15.289 -23.409 -13.926 604 HD3 ARG 73 3HD ARG 73 -14.487 -24.575 -12.877 605 HH11 ARG 73 1HH1 ARG 73 -14.310 -23.770 -15.454 606 HH12 ARG 73 2HH1 ARG 73 -14.174 -24.665 -16.927 607 HH21 ARG 73 1HH2 ARG 73 -16.266 -27.199 -15.892 608 HH22 ARG 73 2HH2 ARG 73 -15.270 -26.590 -17.168 609 H VAL 74 H VAL 74 -12.979 -23.911 -10.934 610 HA VAL 74 HA VAL 74 -13.033 -21.950 -8.886 611 HB VAL 74 HB VAL 74 -11.422 -22.023 -11.450 612 HG11 VAL 74 1HG1 VAL 74 -11.496 -19.751 -10.562 613 HG12 VAL 74 2HG1 VAL 74 -9.896 -20.450 -10.323 614 HG13 VAL 74 3HG1 VAL 74 -11.020 -20.338 -8.969 615 HG21 VAL 74 3HG2 VAL 74 -11.025 -23.958 -10.023 616 HG22 VAL 74 1HG2 VAL 74 -10.727 -22.902 -8.643 617 HG23 VAL 74 2HG2 VAL 74 -9.623 -22.891 -10.017 618 H ARG 75 H ARG 75 -13.766 -19.886 -8.826 619 HA ARG 75 HA ARG 75 -14.986 -18.758 -11.273 620 HE ARG 75 HE ARG 75 -19.586 -18.642 -10.636 621 HB2 ARG 75 2HB ARG 75 -15.744 -18.372 -8.372 622 HB3 ARG 75 3HB ARG 75 -16.404 -17.406 -9.687 623 HG2 ARG 75 2HG ARG 75 -17.265 -19.495 -10.703 624 HG3 ARG 75 3HG ARG 75 -16.744 -20.369 -9.259 625 HD2 ARG 75 2HD ARG 75 -18.921 -19.940 -8.688 626 HD3 ARG 75 3HD ARG 75 -18.169 -18.478 -8.055 627 HH11 ARG 75 1HH1 ARG 75 -18.469 -16.748 -7.978 628 HH12 ARG 75 2HH1 ARG 75 -19.495 -15.422 -8.366 629 HH21 ARG 75 1HH2 ARG 75 -20.896 -16.929 -11.106 630 HH22 ARG 75 2HH2 ARG 75 -20.865 -15.526 -10.094 631 H GLU 76 H GLU 76 -14.434 -17.033 -8.262 632 HA GLU 76 HA GLU 76 -12.716 -15.144 -9.713 633 HB2 GLU 76 2HB GLU 76 -14.261 -14.765 -7.134 634 HB3 GLU 76 3HB GLU 76 -13.298 -13.533 -7.936 635 HG2 GLU 76 2HG GLU 76 -15.508 -13.046 -8.525 636 HG3 GLU 76 3HG GLU 76 -14.833 -13.849 -9.941 637 H PHE 77 H PHE 77 -10.683 -14.730 -9.089 638 HA PHE 77 HA PHE 77 -9.533 -16.380 -6.957 639 HD1 PHE 77 HD1 PHE 77 -8.366 -18.177 -7.504 640 HD2 PHE 77 HD2 PHE 77 -5.651 -15.069 -8.556 641 HE1 PHE 77 HE1 PHE 77 -6.491 -19.555 -6.714 642 HE2 PHE 77 HE2 PHE 77 -3.774 -16.444 -7.762 643 HZ PHE 77 HZ PHE 77 -4.192 -18.687 -6.841 644 HB2 PHE 77 2HB PHE 77 -8.701 -16.202 -9.454 645 HB3 PHE 77 3HB PHE 77 -7.913 -14.737 -8.888 646 H GLU 78 H GLU 78 -9.145 -15.470 -5.037 647 HA GLU 78 HA GLU 78 -9.483 -12.623 -4.650 648 HB2 GLU 78 2HB GLU 78 -10.550 -14.189 -3.121 649 HB3 GLU 78 3HB GLU 78 -8.994 -14.888 -2.699 650 HG2 GLU 78 2HG GLU 78 -8.320 -12.729 -1.711 651 HG3 GLU 78 3HG GLU 78 -9.916 -12.079 -2.086 652 H LEU 79 H LEU 79 -7.685 -11.484 -5.320 653 HA LEU 79 HA LEU 79 -5.031 -12.221 -4.354 654 HG LEU 79 HG LEU 79 -6.243 -11.778 -7.302 655 HB2 LEU 79 2HB LEU 79 -5.921 -9.777 -5.906 656 HB3 LEU 79 3HB LEU 79 -4.260 -10.248 -5.595 657 HD11 LEU 79 1HD1 LEU 79 -3.793 -10.187 -8.068 658 HD12 LEU 79 2HD1 LEU 79 -5.468 -9.709 -8.349 659 HD13 LEU 79 3HD1 LEU 79 -4.806 -11.125 -9.167 660 HD21 LEU 79 3HD2 LEU 79 -4.336 -13.202 -7.887 661 HD22 LEU 79 1HD2 LEU 79 -4.695 -13.284 -6.163 662 HD23 LEU 79 2HD2 LEU 79 -3.326 -12.329 -6.734 663 H VAL 80 H VAL 80 -4.814 -11.880 -2.171 664 HA VAL 80 HA VAL 80 -6.001 -9.474 -0.976 665 HB VAL 80 HB VAL 80 -6.520 -11.608 0.106 666 HG11 VAL 80 1HG1 VAL 80 -4.791 -12.877 1.312 667 HG12 VAL 80 2HG1 VAL 80 -3.552 -11.817 0.636 668 HG13 VAL 80 3HG1 VAL 80 -4.499 -12.855 -0.429 669 HG21 VAL 80 3HG2 VAL 80 -5.954 -10.978 2.413 670 HG22 VAL 80 1HG2 VAL 80 -6.484 -9.584 1.469 671 HG23 VAL 80 2HG2 VAL 80 -4.768 -9.821 1.804 672 H TYR 81 H TYR 81 -4.849 -7.891 0.031 673 HA TYR 81 HA TYR 81 -1.920 -8.127 0.183 674 HD1 TYR 81 HD2 TYR 81 -0.095 -7.148 -0.059 675 HD2 TYR 81 HD1 TYR 81 -2.253 -3.789 -1.541 676 HE1 TYR 81 HE2 TYR 81 1.917 -5.761 0.177 677 HE2 TYR 81 HE1 TYR 81 -0.245 -2.394 -1.307 678 HH TYR 81 HH TYR 81 1.851 -2.392 0.034 679 HB2 TYR 81 2HB TYR 81 -2.478 -6.956 -1.914 680 HB3 TYR 81 3HB TYR 81 -3.420 -5.779 -1.010 681 H ARG 82 H ARG 82 -1.162 -7.531 2.108 682 HA ARG 82 HA ARG 82 -2.740 -5.685 3.781 683 HE ARG 82 HE ARG 82 -3.585 -7.408 7.204 684 HB2 ARG 82 2HB ARG 82 -1.110 -8.067 4.696 685 HB3 ARG 82 3HB ARG 82 -1.880 -6.904 5.767 686 HG2 ARG 82 2HG ARG 82 -4.082 -7.565 4.773 687 HG3 ARG 82 3HG ARG 82 -3.235 -8.848 3.903 688 HD2 ARG 82 2HD ARG 82 -4.244 -9.705 5.961 689 HD3 ARG 82 3HD ARG 82 -2.484 -9.799 6.037 690 HH11 ARG 82 1HH1 ARG 82 -2.673 -10.683 7.798 691 HH12 ARG 82 2HH1 ARG 82 -2.505 -10.430 9.503 692 HH21 ARG 82 1HH2 ARG 82 -3.350 -7.120 9.407 693 HH22 ARG 82 2HH2 ARG 82 -2.884 -8.464 10.395 694 H VAL 83 H VAL 83 -1.667 -4.023 4.750 695 HA VAL 83 HA VAL 83 1.280 -3.918 4.467 696 HB VAL 83 HB VAL 83 -0.615 -1.562 4.253 697 HG11 VAL 83 1HG1 VAL 83 1.394 -0.294 3.585 698 HG12 VAL 83 2HG1 VAL 83 2.386 -1.713 3.924 699 HG13 VAL 83 3HG1 VAL 83 1.511 -0.915 5.232 700 HG21 VAL 83 3HG2 VAL 83 0.066 -1.471 1.886 701 HG22 VAL 83 1HG2 VAL 83 -0.780 -2.970 2.275 702 HG23 VAL 83 2HG2 VAL 83 0.975 -2.968 2.100 703 H ALA 84 H ALA 84 2.415 -3.405 6.268 704 HA ALA 84 HA ALA 84 0.939 -2.359 8.619 705 HB1 ALA 84 3HB ALA 84 3.309 -4.237 8.635 706 HB2 ALA 84 1HB ALA 84 1.632 -4.701 8.925 707 HB3 ALA 84 2HB ALA 84 2.456 -3.622 10.051 708 H ALA 85 H ALA 85 1.651 -0.424 9.367 709 HA ALA 85 HA ALA 85 4.447 0.359 8.973 710 HB1 ALA 85 3HB ALA 85 2.166 2.058 7.952 711 HB2 ALA 85 1HB ALA 85 3.287 1.131 6.951 712 HB3 ALA 85 2HB ALA 85 3.881 2.477 7.925 713 H ARG 86 H ARG 86 5.214 1.850 10.449 714 HA ARG 86 HA ARG 86 3.356 2.654 12.594 715 HE ARG 86 HE ARG 86 5.074 -0.967 15.587 716 HB2 ARG 86 2HB ARG 86 6.362 2.311 12.610 717 HB3 ARG 86 3HB ARG 86 5.450 2.998 13.948 718 HG2 ARG 86 2HG ARG 86 4.211 0.892 14.181 719 HG3 ARG 86 3HG ARG 86 5.146 0.204 12.850 720 HD2 ARG 86 2HD ARG 86 7.195 0.448 14.126 721 HD3 ARG 86 3HD ARG 86 6.318 1.245 15.432 722 HH11 ARG 86 1HH1 ARG 86 8.357 -0.718 14.575 723 HH12 ARG 86 2HH1 ARG 86 8.766 -2.297 15.156 724 HH21 ARG 86 1HH2 ARG 86 5.626 -2.986 16.353 725 HH22 ARG 86 2HH2 ARG 86 7.242 -3.561 16.144 726 H LEU 87 H LEU 87 2.928 4.748 12.927 727 HA LEU 87 HA LEU 87 4.315 6.751 11.294 728 HG LEU 87 HG LEU 87 2.806 8.462 10.349 729 HB2 LEU 87 2HB LEU 87 1.735 6.419 11.397 730 HB3 LEU 87 3HB LEU 87 1.831 7.241 12.941 731 HD11 LEU 87 1HD1 LEU 87 0.715 9.733 10.338 732 HD12 LEU 87 2HD1 LEU 87 0.135 8.794 11.715 733 HD13 LEU 87 3HD1 LEU 87 0.432 8.000 10.163 734 HD21 LEU 87 3HD2 LEU 87 2.189 9.675 13.051 735 HD22 LEU 87 1HD2 LEU 87 2.627 10.577 11.598 736 HD23 LEU 87 2HD2 LEU 87 3.788 9.473 12.333 737 H LEU 88 H LEU 88 5.990 7.672 12.246 738 HA LEU 88 HA LEU 88 6.086 7.841 15.188 739 HG LEU 88 HG LEU 88 7.289 5.738 12.957 740 HB2 LEU 88 2HB LEU 88 8.423 7.912 13.283 741 HB3 LEU 88 3HB LEU 88 8.458 7.628 15.013 742 HD11 LEU 88 1HD1 LEU 88 9.889 5.620 14.482 743 HD12 LEU 88 2HD1 LEU 88 9.688 5.849 12.743 744 HD13 LEU 88 3HD1 LEU 88 9.225 4.320 13.489 745 HD21 LEU 88 3HD2 LEU 88 6.162 5.547 15.106 746 HD22 LEU 88 1HD2 LEU 88 7.716 5.394 15.927 747 HD23 LEU 88 2HD2 LEU 88 7.180 4.137 14.812 748 H ASP 89 H ASP 89 7.586 9.600 16.014 749 HA ASP 89 HA ASP 89 7.118 12.124 14.551 750 HB2 ASP 89 2HB ASP 89 7.158 13.246 16.655 751 HB3 ASP 89 3HB ASP 89 6.157 11.817 16.884 752 H ALA 90 H ALA 90 8.962 13.772 15.745 753 HA ALA 90 HA ALA 90 11.349 13.246 14.379 754 HB1 ALA 90 3HB ALA 90 10.644 15.497 15.020 755 HB2 ALA 90 1HB ALA 90 12.281 15.154 15.582 756 HB3 ALA 90 2HB ALA 90 10.931 15.111 16.717 757 H HIS 91 H HIS 91 10.370 12.393 17.641 758 HA HIS 91 HA HIS 91 13.039 11.570 18.440 759 HD1 HIS 91 HD1 HIS 91 13.578 12.924 20.877 760 HD2 HIS 91 HD2 HIS 91 9.582 13.800 20.170 761 HE1 HIS 91 HE1 HIS 91 13.267 15.297 21.622 762 HE2 HIS 91 HE2 HIS 91 10.805 15.739 21.355 763 HB2 HIS 91 2HB HIS 91 10.367 11.209 19.822 764 HB3 HIS 91 3HB HIS 91 11.933 10.813 20.526 765 H ASN 92 H ASN 92 11.080 10.248 16.282 766 HA ASN 92 HA ASN 92 10.967 8.217 15.272 767 HB2 ASN 92 2HB ASN 92 13.137 7.447 17.237 768 HB3 ASN 92 3HB ASN 92 12.615 6.452 15.886 769 HD21 ASN 92 1HD2 ASN 92 13.075 9.967 15.881 770 HD22 ASN 92 2HD2 ASN 92 14.375 9.955 14.753 771 H ALA 93 H ALA 93 9.556 8.834 17.986 772 HA ALA 93 HA ALA 93 8.979 6.104 18.896 773 HB1 ALA 93 3HB ALA 93 8.092 8.768 20.017 774 HB2 ALA 93 1HB ALA 93 9.441 7.791 20.601 775 HB3 ALA 93 2HB ALA 93 7.790 7.188 20.744 776 H GLU 94 H GLU 94 6.730 5.388 19.139 777 HA GLU 94 HA GLU 94 5.196 5.869 16.797 778 HB2 GLU 94 2HB GLU 94 4.440 4.422 19.348 779 HB3 GLU 94 3HB GLU 94 3.451 4.450 17.896 780 HG2 GLU 94 2HG GLU 94 4.578 2.398 17.837 781 HG3 GLU 94 3HG GLU 94 5.431 3.424 16.685 782 H LEU 95 H LEU 95 4.931 8.177 16.885 783 HA LEU 95 HA LEU 95 3.508 9.546 18.891 784 HG LEU 95 HG LEU 95 3.870 12.602 16.769 785 HB2 LEU 95 2HB LEU 95 4.926 10.452 16.924 786 HB3 LEU 95 3HB LEU 95 3.470 10.297 15.967 787 HD11 LEU 95 1HD1 LEU 95 1.588 11.935 16.273 788 HD12 LEU 95 2HD1 LEU 95 1.626 13.060 17.628 789 HD13 LEU 95 3HD1 LEU 95 1.383 11.338 17.919 790 HD21 LEU 95 3HD2 LEU 95 3.573 13.152 19.137 791 HD22 LEU 95 1HD2 LEU 95 4.957 12.087 18.886 792 HD23 LEU 95 2HD2 LEU 95 3.445 11.436 19.520 793 H ALA 96 H ALA 96 2.330 8.565 15.660 794 HA ALA 96 HA ALA 96 -0.424 8.614 16.679 795 HB1 ALA 96 3HB ALA 96 -1.121 8.614 14.354 796 HB2 ALA 96 1HB ALA 96 0.548 8.381 13.828 797 HB3 ALA 96 2HB ALA 96 0.075 9.881 14.626 798 H SER 97 H SER 97 1.964 6.429 15.304 799 HA SER 97 HA SER 97 2.033 4.184 14.933 800 HG SER 97 HG SER 97 0.141 2.117 15.972 801 HB2 SER 97 2HB SER 97 1.656 4.077 17.365 802 HB3 SER 97 3HB SER 97 -0.087 4.103 17.103 803 H LEU 98 H LEU 98 1.273 4.092 12.820 804 HA LEU 98 HA LEU 98 -1.450 4.450 12.122 805 HG LEU 98 HG LEU 98 -1.394 3.160 9.256 806 HB2 LEU 98 2HB LEU 98 0.573 4.944 10.705 807 HB3 LEU 98 3HB LEU 98 0.728 3.219 10.437 808 HD11 LEU 98 1HD1 LEU 98 -1.585 6.111 9.879 809 HD12 LEU 98 2HD1 LEU 98 -2.599 4.837 10.558 810 HD13 LEU 98 3HD1 LEU 98 -2.680 5.204 8.835 811 HD21 LEU 98 3HD2 LEU 98 0.619 3.750 7.983 812 HD22 LEU 98 1HD2 LEU 98 0.328 5.461 8.315 813 HD23 LEU 98 2HD2 LEU 98 -0.813 4.544 7.327 814 H GLN 99 H GLN 99 -2.661 2.790 10.753 815 HA GLN 99 HA GLN 99 -2.903 0.365 12.347 816 HB2 GLN 99 2HB GLN 99 -5.036 0.067 11.280 817 HB3 GLN 99 3HB GLN 99 -4.893 1.759 11.738 818 HG2 GLN 99 2HG GLN 99 -4.487 2.431 9.502 819 HG3 GLN 99 3HG GLN 99 -4.245 0.769 8.970 820 HE21 GLN 99 1HE2 GLN 99 -6.055 -0.587 8.744 821 HE22 GLN 99 2HE2 GLN 99 -7.646 0.063 8.580 822 H GLU 100 H GLU 100 -3.645 -1.645 11.052 823 HA GLU 100 HA GLU 100 -1.778 -2.185 8.871 824 HB2 GLU 100 2HB GLU 100 -2.305 -4.495 9.137 825 HB3 GLU 100 3HB GLU 100 -2.125 -3.833 10.752 826 HG2 GLU 100 2HG GLU 100 -4.742 -4.405 9.361 827 HG3 GLU 100 3HG GLU 100 -3.991 -5.411 10.593 828 H ILE 101 H ILE 101 -2.377 -2.548 6.774 829 HA ILE 101 HA ILE 101 -5.139 -1.857 6.033 830 HB ILE 101 HB ILE 101 -2.672 -2.037 4.279 831 HG12 ILE 101 2HG1 ILE 101 -4.058 0.400 5.447 832 HG13 ILE 101 3HG1 ILE 101 -2.502 -0.239 5.967 833 HG21 ILE 101 1HG2 ILE 101 -4.741 -2.380 3.024 834 HG22 ILE 101 2HG2 ILE 101 -4.012 -0.827 2.619 835 HG23 ILE 101 3HG2 ILE 101 -5.408 -0.890 3.694 836 HD11 ILE 101 3HD1 ILE 101 -1.582 0.239 3.747 837 HD12 ILE 101 1HD1 ILE 101 -2.203 1.684 4.546 838 HD13 ILE 101 2HD1 ILE 101 -3.139 0.917 3.264 839 H ARG 102 H ARG 102 -6.366 -3.160 4.610 840 HA ARG 102 HA ARG 102 -5.254 -5.696 3.693 841 HE ARG 102 HE ARG 102 -9.592 -5.025 8.150 842 HB2 ARG 102 2HB ARG 102 -7.244 -6.958 4.555 843 HB3 ARG 102 3HB ARG 102 -6.148 -6.384 5.803 844 HG2 ARG 102 2HG ARG 102 -7.668 -4.530 6.300 845 HG3 ARG 102 3HG ARG 102 -8.761 -5.089 5.031 846 HD2 ARG 102 2HD ARG 102 -9.088 -7.197 6.228 847 HD3 ARG 102 3HD ARG 102 -7.977 -6.666 7.489 848 HH11 ARG 102 1HH1 ARG 102 -10.739 -7.318 5.827 849 HH12 ARG 102 2HH1 ARG 102 -12.401 -7.061 6.234 850 HH21 ARG 102 1HH2 ARG 102 -11.745 -4.705 8.645 851 HH22 ARG 102 2HH2 ARG 102 -12.963 -5.572 7.778 852 H LEU 103 H LEU 103 -5.712 -5.860 1.611 853 HA LEU 103 HA LEU 103 -8.291 -4.834 0.590 854 HG LEU 103 HG LEU 103 -5.865 -2.898 0.988 855 HB2 LEU 103 2HB LEU 103 -5.591 -4.638 -0.763 856 HB3 LEU 103 3HB LEU 103 -7.118 -4.143 -1.470 857 HD11 LEU 103 1HD1 LEU 103 -4.574 -2.429 -1.033 858 HD12 LEU 103 2HD1 LEU 103 -5.396 -0.985 -0.446 859 HD13 LEU 103 3HD1 LEU 103 -6.036 -1.856 -1.840 860 HD21 LEU 103 3HD2 LEU 103 -8.285 -2.060 -0.625 861 HD22 LEU 103 1HD2 LEU 103 -7.587 -1.181 0.737 862 HD23 LEU 103 2HD2 LEU 103 -8.315 -2.766 0.992 863 H THR 104 H THR 104 -9.063 -5.848 -1.363 864 HA THR 104 HA THR 104 -7.878 -8.462 -2.047 865 HB THR 104 HB THR 104 -10.164 -9.469 -2.157 866 HG1 THR 104 HG1 THR 104 -11.906 -8.370 -1.438 867 HG21 THR 104 3HG2 THR 104 -9.379 -8.446 0.580 868 HG22 THR 104 1HG2 THR 104 -8.735 -9.887 -0.207 869 HG23 THR 104 2HG2 THR 104 -10.435 -9.820 0.256 870 H ARG 105 H ARG 105 -7.641 -8.664 -4.205 871 HA ARG 105 HA ARG 105 -9.281 -6.964 -5.976 872 HE ARG 105 HE ARG 105 -8.848 -5.587 -4.888 873 HB2 ARG 105 2HB ARG 105 -6.641 -8.337 -6.527 874 HB3 ARG 105 3HB ARG 105 -7.533 -7.362 -7.684 875 HG2 ARG 105 2HG ARG 105 -6.363 -6.372 -5.087 876 HG3 ARG 105 3HG ARG 105 -5.666 -6.138 -6.688 877 HD2 ARG 105 2HD ARG 105 -6.748 -4.117 -6.298 878 HD3 ARG 105 3HD ARG 105 -7.928 -5.004 -7.259 879 HH11 ARG 105 1HH1 ARG 105 -7.609 -2.570 -5.975 880 HH12 ARG 105 2HH1 ARG 105 -8.480 -1.660 -4.791 881 HH21 ARG 105 1HH2 ARG 105 -10.007 -4.411 -3.389 882 HH22 ARG 105 2HH2 ARG 105 -9.860 -2.687 -3.367 883 H ILE 106 H ILE 106 -10.316 -7.830 -7.795 884 HA ILE 106 HA ILE 106 -10.994 -10.670 -7.524 885 HB ILE 106 HB ILE 106 -12.350 -8.549 -9.208 886 HG12 ILE 106 2HG1 ILE 106 -12.505 -7.977 -6.833 887 HG13 ILE 106 3HG1 ILE 106 -14.074 -8.505 -7.432 888 HG21 ILE 106 1HG2 ILE 106 -14.231 -10.140 -9.282 889 HG22 ILE 106 2HG2 ILE 106 -13.250 -11.323 -8.417 890 HG23 ILE 106 3HG2 ILE 106 -12.775 -10.795 -10.031 891 HD11 ILE 106 3HD1 ILE 106 -13.626 -9.390 -5.223 892 HD12 ILE 106 1HD1 ILE 106 -12.150 -10.157 -5.807 893 HD13 ILE 106 2HD1 ILE 106 -13.721 -10.696 -6.405 894 H LEU 107 H LEU 107 -9.646 -11.957 -8.671 895 HA LEU 107 HA LEU 107 -8.934 -11.197 -11.431 896 HG LEU 107 HG LEU 107 -5.698 -13.025 -11.100 897 HB2 LEU 107 2HB LEU 107 -7.214 -11.901 -9.625 898 HB3 LEU 107 3HB LEU 107 -7.802 -13.527 -9.882 899 HD11 LEU 107 1HD1 LEU 107 -6.332 -13.972 -13.238 900 HD12 LEU 107 2HD1 LEU 107 -8.026 -13.582 -12.934 901 HD13 LEU 107 3HD1 LEU 107 -7.200 -14.773 -11.927 902 HD21 LEU 107 3HD2 LEU 107 -6.086 -10.675 -11.577 903 HD22 LEU 107 1HD2 LEU 107 -7.412 -11.094 -12.662 904 HD23 LEU 107 2HD2 LEU 107 -5.760 -11.564 -13.064 905 HA PRO 108 HA PRO 108 -12.188 -14.135 -12.526 906 HB2 PRO 108 2HB PRO 108 -12.264 -13.646 -15.175 907 HB3 PRO 108 3HB PRO 108 -12.880 -12.485 -13.991 908 HG2 PRO 108 2HG PRO 108 -10.243 -12.509 -15.421 909 HG3 PRO 108 3HG PRO 108 -11.346 -11.150 -15.135 910 HD2 PRO 108 2HD PRO 108 -9.125 -11.629 -13.614 911 HD3 PRO 108 3HD PRO 108 -10.573 -10.814 -12.991 912 H PHE 109 H PHE 109 -12.175 -16.266 -13.039 913 HA PHE 109 HA PHE 109 -9.785 -17.617 -13.710 914 HD1 PHE 109 HD1 PHE 109 -9.304 -20.005 -12.873 915 HD2 PHE 109 HD2 PHE 109 -12.891 -20.447 -15.134 916 HE1 PHE 109 HE1 PHE 109 -8.548 -22.216 -13.642 917 HE2 PHE 109 HE2 PHE 109 -12.134 -22.660 -15.903 918 HZ PHE 109 HZ PHE 109 -9.963 -23.545 -15.156 919 HB2 PHE 109 2HB PHE 109 -11.537 -18.690 -12.399 920 HB3 PHE 109 3HB PHE 109 -12.653 -18.592 -13.756 921 H LEU 110 H LEU 110 -8.899 -17.009 -15.634 922 HA LEU 110 HA LEU 110 -10.367 -17.812 -18.074 923 HG LEU 110 HG LEU 110 -10.456 -14.855 -17.017 924 HB2 LEU 110 2HB LEU 110 -8.252 -15.664 -17.783 925 HB3 LEU 110 3HB LEU 110 -8.965 -16.172 -19.304 926 HD11 LEU 110 1HD1 LEU 110 -10.629 -12.924 -18.489 927 HD12 LEU 110 2HD1 LEU 110 -9.664 -13.748 -19.714 928 HD13 LEU 110 3HD1 LEU 110 -8.941 -13.315 -18.165 929 HD21 LEU 110 3HD2 LEU 110 -12.332 -14.726 -18.592 930 HD22 LEU 110 1HD2 LEU 110 -11.885 -16.396 -18.250 931 HD23 LEU 110 2HD2 LEU 110 -11.406 -15.649 -19.776 932 H ASP 111 H ASP 111 -9.622 -19.843 -18.408 933 HA ASP 111 HA ASP 111 -7.042 -20.713 -17.593 934 HB2 ASP 111 2HB ASP 111 -8.931 -22.230 -17.581 935 HB3 ASP 111 3HB ASP 111 -9.123 -22.063 -19.324 936 H ALA 112 H ALA 112 -8.349 -20.976 -20.912 937 HA ALA 112 HA ALA 112 -5.817 -21.551 -22.018 938 HB1 ALA 112 3HB ALA 112 -7.917 -22.328 -23.007 939 HB2 ALA 112 1HB ALA 112 -6.931 -21.457 -24.182 940 HB3 ALA 112 2HB ALA 112 -8.327 -20.669 -23.445 941 H GLN 113 H GLN 113 -7.456 -18.525 -21.497 942 HA GLN 113 HA GLN 113 -6.011 -16.957 -23.367 943 HB2 GLN 113 2HB GLN 113 -7.303 -16.109 -20.761 944 HB3 GLN 113 3HB GLN 113 -6.761 -15.018 -22.029 945 HG2 GLN 113 2HG GLN 113 -8.955 -17.072 -22.256 946 HG3 GLN 113 3HG GLN 113 -9.161 -15.326 -22.132 947 HE21 GLN 113 1HE2 GLN 113 -10.012 -17.190 -24.220 948 HE22 GLN 113 2HE2 GLN 113 -9.307 -16.615 -25.689 949 H GLU 114 H GLU 114 -3.862 -16.741 -23.390 950 HA GLU 114 HA GLU 114 -2.320 -16.939 -20.929 951 HB2 GLU 114 2HB GLU 114 -0.337 -16.817 -22.435 952 HB3 GLU 114 3HB GLU 114 -1.429 -18.145 -22.800 953 HG2 GLU 114 2HG GLU 114 -2.343 -16.920 -24.682 954 HG3 GLU 114 3HG GLU 114 -1.345 -15.523 -24.284 955 H LEU 115 H LEU 115 -3.143 -14.468 -23.335 956 HA LEU 115 HA LEU 115 -1.468 -12.406 -22.407 957 HG LEU 115 HG LEU 115 -2.941 -11.294 -25.640 958 HB2 LEU 115 2HB LEU 115 -4.121 -12.412 -23.824 959 HB3 LEU 115 3HB LEU 115 -3.425 -10.900 -23.275 960 HD11 LEU 115 1HD1 LEU 115 -1.342 -10.019 -24.300 961 HD12 LEU 115 2HD1 LEU 115 -0.538 -10.915 -25.586 962 HD13 LEU 115 3HD1 LEU 115 -0.466 -11.504 -23.923 963 HD21 LEU 115 3HD2 LEU 115 -1.422 -13.737 -24.718 964 HD22 LEU 115 1HD2 LEU 115 -1.483 -13.107 -26.362 965 HD23 LEU 115 2HD2 LEU 115 -2.942 -13.749 -25.610 966 H ALA 116 H ALA 116 -4.681 -13.422 -21.345 967 HA ALA 116 HA ALA 116 -5.257 -11.402 -19.520 968 HB1 ALA 116 3HB ALA 116 -6.798 -12.982 -18.484 969 HB2 ALA 116 1HB ALA 116 -6.006 -14.321 -19.316 970 HB3 ALA 116 2HB ALA 116 -6.874 -13.096 -20.242 971 H LYS 117 H LYS 117 -2.972 -13.998 -19.237 972 HA LYS 117 HA LYS 117 -2.831 -14.157 -16.412 973 HB2 LYS 117 2HB LYS 117 -0.735 -14.845 -18.487 974 HB3 LYS 117 3HB LYS 117 -0.700 -15.345 -16.799 975 HG2 LYS 117 2HG LYS 117 -2.840 -16.084 -18.796 976 HG3 LYS 117 3HG LYS 117 -1.514 -17.128 -18.279 977 HD2 LYS 117 2HD LYS 117 -2.502 -17.625 -16.304 978 HD3 LYS 117 3HD LYS 117 -3.113 -15.988 -16.076 979 HE2 LYS 117 2HE LYS 117 -4.934 -17.593 -16.313 980 HE3 LYS 117 3HE LYS 117 -4.929 -16.435 -17.642 981 HZ1 LYS 117 3HZ LYS 117 -5.326 -18.721 -18.372 982 HZ2 LYS 117 1HZ LYS 117 -3.811 -19.180 -17.777 983 HZ3 LYS 117 2HZ LYS 117 -3.921 -18.077 -19.056 984 H ALA 118 H ALA 118 -1.407 -11.966 -18.711 985 HA ALA 118 HA ALA 118 0.052 -10.618 -16.528 986 HB1 ALA 118 3HB ALA 118 0.297 -10.210 -19.510 987 HB2 ALA 118 1HB ALA 118 1.386 -11.173 -18.510 988 HB3 ALA 118 2HB ALA 118 1.275 -9.430 -18.266 989 H ALA 119 H ALA 119 -2.120 -9.947 -19.261 990 HA ALA 119 HA ALA 119 -2.618 -7.265 -18.872 991 HB1 ALA 119 3HB ALA 119 -4.709 -7.617 -20.096 992 HB2 ALA 119 1HB ALA 119 -4.562 -9.358 -19.849 993 HB3 ALA 119 2HB ALA 119 -3.371 -8.501 -20.830 994 H GLU 120 H GLU 120 -4.273 -10.004 -17.290 995 HA GLU 120 HA GLU 120 -5.960 -8.185 -15.758 996 HB2 GLU 120 2HB GLU 120 -5.753 -11.203 -15.581 997 HB3 GLU 120 3HB GLU 120 -7.003 -10.202 -14.856 998 HG2 GLU 120 2HG GLU 120 -6.523 -10.485 -17.821 999 HG3 GLU 120 3HG GLU 120 -7.735 -11.374 -16.905 1000 H GLU 121 H GLU 121 -3.762 -10.870 -14.850 1001 HA GLU 121 HA GLU 121 -3.686 -10.416 -12.134 1002 HB2 GLU 121 2HB GLU 121 -1.534 -11.526 -13.941 1003 HB3 GLU 121 3HB GLU 121 -1.435 -11.564 -12.186 1004 HG2 GLU 121 2HG GLU 121 -3.465 -12.924 -12.093 1005 HG3 GLU 121 3HG GLU 121 -3.587 -12.870 -13.851 1006 H GLU 122 H GLU 122 -1.119 -9.306 -14.384 1007 HA GLU 122 HA GLU 122 0.487 -8.029 -12.533 1008 HB2 GLU 122 2HB GLU 122 0.960 -8.543 -14.981 1009 HB3 GLU 122 3HB GLU 122 0.097 -7.068 -15.377 1010 HG2 GLU 122 2HG GLU 122 2.447 -7.037 -13.510 1011 HG3 GLU 122 3HG GLU 122 2.669 -7.023 -15.255 1012 H MET 123 H MET 123 -2.213 -6.620 -14.378 1013 HA MET 123 HA MET 123 -1.833 -3.974 -13.402 1014 HB2 MET 123 2HB MET 123 -4.310 -5.217 -14.617 1015 HB3 MET 123 3HB MET 123 -4.012 -3.494 -14.422 1016 HG2 MET 123 2HG MET 123 -2.045 -3.702 -15.908 1017 HG3 MET 123 3HG MET 123 -2.450 -5.398 -16.158 1018 HE1 MET 123 3HE MET 123 -3.417 -3.911 -19.611 1019 HE2 MET 123 1HE MET 123 -2.521 -5.166 -18.753 1020 HE3 MET 123 2HE MET 123 -2.035 -3.475 -18.609 1021 H LEU 124 H LEU 124 -3.937 -6.651 -12.353 1022 HA LEU 124 HA LEU 124 -5.289 -5.149 -10.354 1023 HG LEU 124 HG LEU 124 -7.433 -8.097 -10.891 1024 HB2 LEU 124 2HB LEU 124 -4.992 -8.058 -10.952 1025 HB3 LEU 124 3HB LEU 124 -5.582 -7.602 -9.366 1026 HD11 LEU 124 1HD1 LEU 124 -8.745 -6.078 -10.533 1027 HD12 LEU 124 2HD1 LEU 124 -7.274 -5.159 -10.212 1028 HD13 LEU 124 3HD1 LEU 124 -7.767 -6.449 -9.112 1029 HD21 LEU 124 3HD2 LEU 124 -6.385 -7.490 -13.010 1030 HD22 LEU 124 1HD2 LEU 124 -6.397 -5.790 -12.547 1031 HD23 LEU 124 2HD2 LEU 124 -7.917 -6.644 -12.806 1032 H TYR 125 H TYR 125 -2.250 -6.964 -10.318 1033 HA TYR 125 HA TYR 125 -1.751 -6.898 -7.551 1034 HD1 TYR 125 HD1 TYR 125 -0.493 -8.732 -6.704 1035 HD2 TYR 125 HD2 TYR 125 0.072 -9.008 -10.915 1036 HE1 TYR 125 HE1 TYR 125 -0.612 -11.183 -6.553 1037 HE2 TYR 125 HE2 TYR 125 -0.052 -11.459 -10.775 1038 HH TYR 125 HH TYR 125 0.232 -13.229 -9.189 1039 HB2 TYR 125 2HB TYR 125 0.106 -6.915 -9.932 1040 HB3 TYR 125 3HB TYR 125 0.728 -6.866 -8.288 1041 H LYS 126 H LYS 126 -0.905 -4.516 -10.072 1042 HA LYS 126 HA LYS 126 0.224 -2.686 -8.156 1043 HB2 LYS 126 2HB LYS 126 0.406 -1.129 -10.079 1044 HB3 LYS 126 3HB LYS 126 1.139 -2.697 -10.376 1045 HG2 LYS 126 2HG LYS 126 -0.908 -3.352 -11.633 1046 HG3 LYS 126 3HG LYS 126 -1.505 -1.703 -11.433 1047 HD2 LYS 126 2HD LYS 126 1.107 -2.434 -12.771 1048 HD3 LYS 126 3HD LYS 126 -0.400 -2.115 -13.629 1049 HE2 LYS 126 2HE LYS 126 0.935 -0.135 -11.783 1050 HE3 LYS 126 3HE LYS 126 1.190 -0.176 -13.526 1051 HZ1 LYS 126 3HZ LYS 126 -1.487 0.125 -12.288 1052 HZ2 LYS 126 1HZ LYS 126 -1.072 0.339 -13.911 1053 HZ3 LYS 126 2HZ LYS 126 -0.522 1.434 -12.747 1054 H ASP 127 H ASP 127 -2.966 -3.273 -9.333 1055 HA ASP 127 HA ASP 127 -4.089 -0.721 -8.839 1056 HB2 ASP 127 2HB ASP 127 -5.266 -2.434 -10.154 1057 HB3 ASP 127 3HB ASP 127 -5.434 -3.433 -8.710 1058 H MET 128 H MET 128 -3.975 -3.653 -6.762 1059 HA MET 128 HA MET 128 -5.119 -2.402 -4.493 1060 HB2 MET 128 2HB MET 128 -4.227 -4.299 -3.202 1061 HB3 MET 128 3HB MET 128 -5.037 -4.824 -4.669 1062 HG2 MET 128 2HG MET 128 -2.819 -5.070 -5.750 1063 HG3 MET 128 3HG MET 128 -2.067 -4.660 -4.209 1064 HE1 MET 128 3HE MET 128 -0.659 -6.888 -4.140 1065 HE2 MET 128 1HE MET 128 -1.302 -7.308 -5.727 1066 HE3 MET 128 2HE MET 128 -1.342 -8.488 -4.415 1067 H GLN 129 H GLN 129 -1.788 -2.633 -5.636 1068 HA GLN 129 HA GLN 129 -0.435 -1.468 -3.489 1069 HB2 GLN 129 2HB GLN 129 0.722 -2.412 -5.427 1070 HB3 GLN 129 3HB GLN 129 0.052 -1.165 -6.466 1071 HG2 GLN 129 2HG GLN 129 2.363 -0.689 -5.973 1072 HG3 GLN 129 3HG GLN 129 1.325 0.536 -5.247 1073 HE21 GLN 129 1HE2 GLN 129 1.130 0.614 -3.006 1074 HE22 GLN 129 2HE2 GLN 129 2.239 -0.200 -1.966 1075 H LYS 130 H LYS 130 -2.196 0.032 -6.164 1076 HA LYS 130 HA LYS 130 -1.785 2.735 -5.613 1077 HB2 LYS 130 2HB LYS 130 -2.887 1.963 -7.654 1078 HB3 LYS 130 3HB LYS 130 -4.243 1.350 -6.720 1079 HG2 LYS 130 2HG LYS 130 -4.608 3.754 -5.958 1080 HG3 LYS 130 3HG LYS 130 -3.481 4.211 -7.233 1081 HD2 LYS 130 2HD LYS 130 -5.620 4.434 -8.196 1082 HD3 LYS 130 3HD LYS 130 -4.996 2.912 -8.829 1083 HE2 LYS 130 2HE LYS 130 -6.810 3.071 -6.420 1084 HE3 LYS 130 3HE LYS 130 -7.418 2.920 -8.066 1085 HZ1 LYS 130 3HZ LYS 130 -7.243 0.790 -6.849 1086 HZ2 LYS 130 1HZ LYS 130 -5.566 0.967 -6.801 1087 HZ3 LYS 130 2HZ LYS 130 -6.355 0.804 -8.286 1088 H ASP 131 H ASP 131 -4.625 0.779 -4.619 1089 HA ASP 131 HA ASP 131 -5.801 2.810 -3.078 1090 HB2 ASP 131 2HB ASP 131 -6.153 -0.190 -2.870 1091 HB3 ASP 131 3HB ASP 131 -7.213 1.008 -2.130 1092 H ALA 132 H ALA 132 -3.606 0.189 -2.120 1093 HA ALA 132 HA ALA 132 -3.712 0.451 0.643 1094 HB1 ALA 132 3HB ALA 132 -2.533 -1.359 -0.528 1095 HB2 ALA 132 1HB ALA 132 -1.512 -0.591 0.690 1096 HB3 ALA 132 2HB ALA 132 -1.282 -0.217 -1.017 1097 H VAL 133 H VAL 133 -1.486 2.117 -1.610 1098 HA VAL 133 HA VAL 133 -0.243 3.646 0.447 1099 HB VAL 133 HB VAL 133 0.870 3.123 -1.704 1100 HG11 VAL 133 1HG1 VAL 133 0.384 4.463 -3.700 1101 HG12 VAL 133 2HG1 VAL 133 -1.002 5.182 -2.878 1102 HG13 VAL 133 3HG1 VAL 133 -0.986 3.454 -3.237 1103 HG21 VAL 133 3HG2 VAL 133 1.955 5.309 -1.992 1104 HG22 VAL 133 1HG2 VAL 133 1.731 4.905 -0.291 1105 HG23 VAL 133 2HG2 VAL 133 0.659 6.070 -1.067 1106 H GLN 134 H GLN 134 -3.085 4.186 -1.552 1107 HA GLN 134 HA GLN 134 -3.371 6.965 -1.001 1108 HB2 GLN 134 2HB GLN 134 -5.483 4.909 -1.697 1109 HB3 GLN 134 3HB GLN 134 -5.755 6.644 -1.654 1110 HG2 GLN 134 2HG GLN 134 -3.991 5.108 -3.549 1111 HG3 GLN 134 3HG GLN 134 -5.466 5.990 -3.927 1112 HE21 GLN 134 1HE2 GLN 134 -2.088 6.224 -3.271 1113 HE22 GLN 134 2HE2 GLN 134 -1.904 7.882 -3.704 1114 H GLN 135 H GLN 135 -4.447 4.044 0.691 1115 HA GLN 135 HA GLN 135 -5.977 5.276 2.714 1116 HB2 GLN 135 2HB GLN 135 -4.241 2.801 2.959 1117 HB3 GLN 135 3HB GLN 135 -5.546 3.256 4.044 1118 HG2 GLN 135 2HG GLN 135 -5.942 2.651 1.122 1119 HG3 GLN 135 3HG GLN 135 -6.089 1.449 2.399 1120 HE21 GLN 135 1HE2 GLN 135 -8.246 1.074 1.921 1121 HE22 GLN 135 2HE2 GLN 135 -9.493 2.198 2.314 1122 H ILE 136 H ILE 136 -2.529 4.389 2.652 1123 HA ILE 136 HA ILE 136 -1.752 5.409 5.131 1124 HB ILE 136 HB ILE 136 -0.110 5.338 2.584 1125 HG12 ILE 136 2HG1 ILE 136 -0.382 3.270 4.786 1126 HG13 ILE 136 3HG1 ILE 136 -1.070 3.138 3.171 1127 HG21 ILE 136 1HG2 ILE 136 1.843 5.297 4.047 1128 HG22 ILE 136 2HG2 ILE 136 0.800 5.408 5.467 1129 HG23 ILE 136 3HG2 ILE 136 0.888 6.754 4.328 1130 HD11 ILE 136 3HD1 ILE 136 0.961 1.815 3.422 1131 HD12 ILE 136 1HD1 ILE 136 1.870 3.274 3.810 1132 HD13 ILE 136 2HD1 ILE 136 1.155 3.080 2.209 1133 H LEU 137 H LEU 137 -1.717 7.018 1.949 1134 HA LEU 137 HA LEU 137 -0.678 9.483 2.548 1135 HG LEU 137 HG LEU 137 -2.887 11.269 1.135 1136 HB2 LEU 137 2HB LEU 137 -1.268 8.852 0.297 1137 HB3 LEU 137 3HB LEU 137 -2.970 8.788 0.708 1138 HD11 LEU 137 1HD1 LEU 137 -0.485 11.486 1.511 1139 HD12 LEU 137 2HD1 LEU 137 -1.026 12.543 0.208 1140 HD13 LEU 137 3HD1 LEU 137 -0.173 11.045 -0.169 1141 HD21 LEU 137 3HD2 LEU 137 -2.181 10.331 -1.647 1142 HD22 LEU 137 1HD2 LEU 137 -2.928 11.874 -1.237 1143 HD23 LEU 137 2HD2 LEU 137 -3.793 10.371 -0.934 1144 H ARG 138 H ARG 138 -4.100 8.545 2.885 1145 HA ARG 138 HA ARG 138 -4.957 11.130 3.723 1146 HE ARG 138 HE ARG 138 -9.783 11.540 3.992 1147 HB2 ARG 138 2HB ARG 138 -6.360 9.348 2.595 1148 HB3 ARG 138 3HB ARG 138 -6.417 8.518 4.145 1149 HG2 ARG 138 2HG ARG 138 -7.531 10.447 5.148 1150 HG3 ARG 138 3HG ARG 138 -7.445 11.307 3.610 1151 HD2 ARG 138 2HD ARG 138 -8.785 9.432 2.600 1152 HD3 ARG 138 3HD ARG 138 -9.005 8.797 4.231 1153 HH11 ARG 138 1HH1 ARG 138 -10.844 8.300 3.483 1154 HH12 ARG 138 2HH1 ARG 138 -12.518 8.724 3.582 1155 HH21 ARG 138 1HH2 ARG 138 -11.941 12.052 4.118 1156 HH22 ARG 138 2HH2 ARG 138 -13.124 10.804 3.954 1157 H GLN 139 H GLN 139 -4.224 8.129 5.491 1158 HA GLN 139 HA GLN 139 -5.129 9.164 8.007 1159 HB2 GLN 139 2HB GLN 139 -3.531 6.695 7.314 1160 HB3 GLN 139 3HB GLN 139 -4.095 7.074 8.937 1161 HG2 GLN 139 2HG GLN 139 -5.882 6.701 6.538 1162 HG3 GLN 139 3HG GLN 139 -5.539 5.464 7.746 1163 HE21 GLN 139 1HE2 GLN 139 -8.081 6.746 6.981 1164 HE22 GLN 139 2HE2 GLN 139 -8.723 7.415 8.435 1165 H VAL 140 H VAL 140 -1.924 8.844 6.498 1166 HA VAL 140 HA VAL 140 -0.426 9.518 8.811 1167 HB VAL 140 HB VAL 140 0.299 9.752 5.882 1168 HG11 VAL 140 1HG1 VAL 140 1.680 11.311 7.163 1169 HG12 VAL 140 2HG1 VAL 140 2.640 9.940 6.609 1170 HG13 VAL 140 3HG1 VAL 140 2.112 10.024 8.290 1171 HG21 VAL 140 3HG2 VAL 140 -0.099 7.474 6.641 1172 HG22 VAL 140 1HG2 VAL 140 1.023 7.705 7.984 1173 HG23 VAL 140 2HG2 VAL 140 1.617 7.724 6.322 1174 H SER 141 H SER 141 -2.194 11.457 6.565 1175 HA SER 141 HA SER 141 -0.947 13.937 7.496 1176 HG SER 141 HG SER 141 -2.954 12.511 4.677 1177 HB2 SER 141 2HB SER 141 -2.478 15.014 5.809 1178 HB3 SER 141 3HB SER 141 -1.346 13.851 5.123 1179 H ALA 142 H ALA 142 -4.183 12.428 7.425 1180 HA ALA 142 HA ALA 142 -5.284 14.587 9.040 1181 HB1 ALA 142 3HB ALA 142 -6.534 13.741 7.107 1182 HB2 ALA 142 1HB ALA 142 -7.445 13.559 8.608 1183 HB3 ALA 142 2HB ALA 142 -6.653 12.161 7.878 1184 H PHE 143 H PHE 143 -3.503 12.072 10.033 1185 HA PHE 143 HA PHE 143 -5.026 10.624 11.860 1186 HD1 PHE 143 HD2 PHE 143 -1.335 12.042 10.392 1187 HD2 PHE 143 HD1 PHE 143 -1.958 11.559 14.578 1188 HE1 PHE 143 HE2 PHE 143 0.496 13.618 10.846 1189 HE2 PHE 143 HE1 PHE 143 -0.125 13.133 15.035 1190 HZ PHE 143 HZ PHE 143 1.102 14.167 13.167 1191 HB2 PHE 143 2HB PHE 143 -2.990 10.063 13.013 1192 HB3 PHE 143 3HB PHE 143 -2.632 10.147 11.294 1193 H THR 144 H THR 144 -3.594 13.823 12.225 1194 HA THR 144 HA THR 144 -4.058 14.204 14.973 1195 HB THR 144 HB THR 144 -2.595 15.716 13.787 1196 HG1 THR 144 HG1 THR 144 -4.147 16.477 15.577 1197 HG21 THR 144 3HG2 THR 144 -3.434 17.371 12.181 1198 HG22 THR 144 1HG2 THR 144 -5.046 16.658 12.285 1199 HG23 THR 144 2HG2 THR 144 -3.710 15.728 11.605 1200 H SER 145 H SER 145 -6.227 14.408 12.249 1201 HA SER 145 HA SER 145 -8.352 15.680 13.787 1202 HG SER 145 HG SER 145 -10.475 14.793 12.038 1203 HB2 SER 145 2HB SER 145 -8.101 16.222 11.390 1204 HB3 SER 145 3HB SER 145 -8.382 14.534 10.974 1205 H ALA 146 H ALA 146 -7.509 13.355 15.007 1206 HA ALA 146 HA ALA 146 -8.265 11.460 15.993 1207 HB1 ALA 146 3HB ALA 146 -10.324 12.755 16.303 1208 HB2 ALA 146 1HB ALA 146 -10.657 11.036 16.080 1209 HB3 ALA 146 2HB ALA 146 -10.922 12.168 14.752 1210 H GLY 147 H GLY 147 -7.002 11.177 13.455 1211 HA2 GLY 147 2HA GLY 147 -8.409 9.141 11.956 1212 HA3 GLY 147 3HA GLY 147 -6.744 9.650 11.719 1213 H LEU 148 H LEU 148 -6.262 9.165 14.672 1214 HA LEU 148 HA LEU 148 -5.255 6.511 14.407 1215 HG LEU 148 HG LEU 148 -6.181 7.650 17.858 1216 HB2 LEU 148 2HB LEU 148 -4.249 6.799 16.524 1217 HB3 LEU 148 3HB LEU 148 -4.157 8.346 15.711 1218 HD11 LEU 148 1HD1 LEU 148 -4.847 9.093 19.318 1219 HD12 LEU 148 2HD1 LEU 148 -3.641 9.269 18.043 1220 HD13 LEU 148 3HD1 LEU 148 -3.931 7.689 18.772 1221 HD21 LEU 148 3HD2 LEU 148 -6.587 10.078 17.929 1222 HD22 LEU 148 1HD2 LEU 148 -7.010 9.379 16.366 1223 HD23 LEU 148 2HD2 LEU 148 -5.510 10.291 16.546 1224 H GLU 149 H GLU 149 -8.356 7.327 14.893 1225 HA GLU 149 HA GLU 149 -9.348 5.871 17.027 1226 HB2 GLU 149 2HB GLU 149 -10.510 6.220 14.255 1227 HB3 GLU 149 3HB GLU 149 -11.413 5.594 15.627 1228 HG2 GLU 149 2HG GLU 149 -10.104 8.301 15.647 1229 HG3 GLU 149 3HG GLU 149 -11.741 8.037 15.047 1230 H HIS 150 H HIS 150 -8.137 4.710 13.967 1231 HA HIS 150 HA HIS 150 -9.249 2.116 13.981 1232 HD1 HIS 150 HD1 HIS 150 -7.392 5.234 11.612 1233 HD2 HIS 150 HD2 HIS 150 -10.100 2.141 10.971 1234 HE1 HIS 150 HE1 HIS 150 -9.017 6.102 9.920 1235 HE2 HIS 150 HE2 HIS 150 -10.717 4.275 9.645 1236 HB2 HIS 150 2HB HIS 150 -6.674 3.066 12.699 1237 HB3 HIS 150 3HB HIS 150 -7.570 1.609 12.271 1238 H HIS 151 H HIS 151 -8.783 0.371 15.199 1239 HA HIS 151 HA HIS 151 -6.648 0.561 17.138 1240 HD1 HIS 151 HD1 HIS 151 -10.697 -0.509 16.300 1241 HD2 HIS 151 HD2 HIS 151 -8.172 -3.797 16.474 1242 HE1 HIS 151 HE1 HIS 151 -11.923 -2.353 15.135 1243 HE2 HIS 151 HE2 HIS 151 -10.477 -4.380 15.466 1244 HB2 HIS 151 2HB HIS 151 -7.574 -1.567 18.053 1245 HB3 HIS 151 3HB HIS 151 -8.736 -0.253 17.970 1246 H HIS 152 H HIS 152 -4.831 0.467 15.833 1247 HA HIS 152 HA HIS 152 -4.099 -1.558 14.059 1248 HD1 HIS 152 HD1 HIS 152 -1.305 -0.709 17.367 1249 HD2 HIS 152 HD2 HIS 152 -3.313 2.513 15.675 1250 HE1 HIS 152 HE1 HIS 152 -1.246 1.109 19.099 1251 HE2 HIS 152 HE2 HIS 152 -2.642 2.964 18.126 1252 HB2 HIS 152 2HB HIS 152 -1.708 -0.859 14.737 1253 HB3 HIS 152 3HB HIS 152 -2.762 0.369 14.047 1254 H HIS 153 H HIS 153 -3.522 -3.635 14.285 1255 HA HIS 153 HA HIS 153 -2.722 -4.591 16.966 1256 HD1 HIS 153 HD1 HIS 153 -4.266 -7.602 13.816 1257 HD2 HIS 153 HD2 HIS 153 -6.333 -4.141 14.799 1258 HE1 HIS 153 HE1 HIS 153 -5.877 -7.230 11.939 1259 HE2 HIS 153 HE2 HIS 153 -6.918 -4.996 12.434 1260 HB2 HIS 153 2HB HIS 153 -3.810 -6.825 16.174 1261 HB3 HIS 153 3HB HIS 153 -4.825 -5.539 16.810 1262 H HIS 154 H HIS 154 -1.583 -6.790 16.863 1263 HA HIS 154 HA HIS 154 0.700 -6.295 15.102 1264 HD1 HIS 154 HD1 HIS 154 -0.546 -6.048 18.904 1265 HD2 HIS 154 HD2 HIS 154 3.232 -5.445 17.281 1266 HE1 HIS 154 HE1 HIS 154 0.375 -4.037 20.080 1267 HE2 HIS 154 HE2 HIS 154 2.610 -3.620 19.006 1268 HB2 HIS 154 2HB HIS 154 0.409 -8.083 17.526 1269 HB3 HIS 154 3HB HIS 154 1.911 -7.809 16.649 1270 H HIS 155 H HIS 155 -1.958 -8.173 14.747 1271 HA HIS 155 HA HIS 155 -0.473 -10.141 13.130 1272 HD1 HIS 155 HD1 HIS 155 0.208 -12.798 13.885 1273 HD2 HIS 155 HD2 HIS 155 -1.277 -10.961 17.307 1274 HE1 HIS 155 HE1 HIS 155 1.689 -13.568 15.760 1275 HE2 HIS 155 HE2 HIS 155 0.674 -12.576 17.830 1276 HB2 HIS 155 2HB HIS 155 -2.761 -10.741 15.011 1277 HB3 HIS 155 3HB HIS 155 -2.284 -11.834 13.717 Start of MODEL 4 1 HA MET 1 HA MET 1 -10.767 32.743 -8.500 2 H1 MET 1 1H MET 1 -12.546 34.355 -8.411 3 H2 MET 1 2H MET 1 -12.172 33.963 -10.009 4 H3 MET 1 3H MET 1 -11.656 35.436 -9.364 5 HB2 MET 1 2HB MET 1 -9.877 33.388 -10.698 6 HB3 MET 1 3HB MET 1 -9.313 34.915 -10.037 7 HG2 MET 1 2HG MET 1 -7.775 33.692 -8.557 8 HG3 MET 1 3HG MET 1 -8.328 32.173 -9.261 9 HE1 MET 1 3HE MET 1 -5.783 31.538 -9.799 10 HE2 MET 1 1HE MET 1 -5.248 33.077 -9.113 11 HE3 MET 1 2HE MET 1 -4.695 32.581 -10.713 12 H GLY 2 H GLY 2 -10.316 32.743 -6.382 13 HA2 GLY 2 2HA GLY 2 -9.866 35.173 -4.904 14 HA3 GLY 2 3HA GLY 2 -9.821 33.538 -4.268 15 H PHE 3 H PHE 3 -7.884 32.833 -3.597 16 HA PHE 3 HA PHE 3 -5.443 33.953 -4.809 17 HD1 PHE 3 HD1 PHE 3 -4.273 36.393 -3.713 18 HD2 PHE 3 HD2 PHE 3 -7.809 35.225 -1.644 19 HE1 PHE 3 HE1 PHE 3 -5.047 38.729 -3.719 20 HE2 PHE 3 HE2 PHE 3 -8.586 37.557 -1.647 21 HZ PHE 3 HZ PHE 3 -7.207 39.311 -2.689 22 HB2 PHE 3 2HB PHE 3 -5.955 33.714 -1.829 23 HB3 PHE 3 3HB PHE 3 -4.439 34.217 -2.568 24 H LYS 4 H LYS 4 -3.911 32.467 -5.254 25 HA LYS 4 HA LYS 4 -4.490 29.675 -4.553 26 HB2 LYS 4 2HB LYS 4 -4.043 30.643 -6.947 27 HB3 LYS 4 3HB LYS 4 -2.354 30.572 -6.482 28 HG2 LYS 4 2HG LYS 4 -4.231 28.208 -6.533 29 HG3 LYS 4 3HG LYS 4 -3.103 28.635 -7.817 30 HD2 LYS 4 2HD LYS 4 -1.247 28.400 -6.139 31 HD3 LYS 4 3HD LYS 4 -2.437 27.772 -4.998 32 HE2 LYS 4 2HE LYS 4 -1.755 26.573 -7.689 33 HE3 LYS 4 3HE LYS 4 -1.216 25.965 -6.125 34 HZ1 LYS 4 3HZ LYS 4 -4.057 26.153 -6.983 35 HZ2 LYS 4 1HZ LYS 4 -3.490 25.483 -5.539 36 HZ3 LYS 4 2HZ LYS 4 -3.128 24.744 -7.018 37 H LEU 5 H LEU 5 -3.692 29.769 -2.353 38 HA LEU 5 HA LEU 5 -0.752 29.967 -2.120 39 HG LEU 5 HG LEU 5 -1.754 32.376 0.511 40 HB2 LEU 5 2HB LEU 5 -2.918 30.215 -0.028 41 HB3 LEU 5 3HB LEU 5 -1.219 30.079 0.372 42 HD11 LEU 5 1HD1 LEU 5 -0.347 33.408 -1.184 43 HD12 LEU 5 2HD1 LEU 5 -0.422 31.941 -2.162 44 HD13 LEU 5 3HD1 LEU 5 0.379 31.915 -0.589 45 HD21 LEU 5 3HD2 LEU 5 -2.826 33.643 -1.270 46 HD22 LEU 5 1HD2 LEU 5 -3.861 32.328 -0.716 47 HD23 LEU 5 2HD2 LEU 5 -2.981 32.175 -2.236 48 H ARG 6 H ARG 6 -2.886 27.585 -2.658 49 HA ARG 6 HA ARG 6 -1.148 25.570 -1.488 50 HE ARG 6 HE ARG 6 -5.549 23.682 1.013 51 HB2 ARG 6 2HB ARG 6 -2.881 24.403 -0.255 52 HB3 ARG 6 3HB ARG 6 -2.794 26.064 0.316 53 HG2 ARG 6 2HG ARG 6 -4.716 26.498 -1.365 54 HG3 ARG 6 3HG ARG 6 -4.919 24.747 -1.342 55 HD2 ARG 6 2HD ARG 6 -5.033 26.590 1.048 56 HD3 ARG 6 3HD ARG 6 -6.412 25.857 0.240 57 HH11 ARG 6 1HH1 ARG 6 -4.379 26.512 2.592 58 HH12 ARG 6 2HH1 ARG 6 -4.181 25.723 4.114 59 HH21 ARG 6 1HH2 ARG 6 -5.306 22.678 3.008 60 HH22 ARG 6 2HH2 ARG 6 -4.703 23.592 4.345 61 H GLY 7 H GLY 7 -1.407 23.478 -2.441 62 HA2 GLY 7 2HA GLY 7 -3.429 23.144 -4.524 63 HA3 GLY 7 3HA GLY 7 -1.764 23.212 -5.075 64 H GLN 8 H GLN 8 -3.697 21.527 -2.566 65 HA GLN 8 HA GLN 8 -2.558 18.980 -3.500 66 HB2 GLN 8 2HB GLN 8 -2.027 18.252 -1.210 67 HB3 GLN 8 3HB GLN 8 -1.069 19.644 -1.688 68 HG2 GLN 8 2HG GLN 8 -3.558 20.338 -0.295 69 HG3 GLN 8 3HG GLN 8 -2.434 19.385 0.670 70 HE21 GLN 8 1HE2 GLN 8 -1.251 21.532 -1.795 71 HE22 GLN 8 2HE2 GLN 8 -0.593 22.708 -0.718 72 H VAL 9 H VAL 9 -3.841 17.161 -3.132 73 HA VAL 9 HA VAL 9 -6.607 17.624 -2.389 74 HB VAL 9 HB VAL 9 -6.010 16.071 -4.239 75 HG11 VAL 9 1HG1 VAL 9 -5.147 13.831 -3.739 76 HG12 VAL 9 2HG1 VAL 9 -4.949 14.282 -2.045 77 HG13 VAL 9 3HG1 VAL 9 -3.990 15.085 -3.290 78 HG21 VAL 9 3HG2 VAL 9 -7.487 14.739 -1.963 79 HG22 VAL 9 1HG2 VAL 9 -7.605 14.313 -3.671 80 HG23 VAL 9 2HG2 VAL 9 -8.182 15.883 -3.111 81 H SER 10 H SER 10 -3.748 16.187 -0.984 82 HA SER 10 HA SER 10 -5.215 15.710 1.542 83 HG SER 10 HG SER 10 -2.087 14.974 0.206 84 HB2 SER 10 2HB SER 10 -3.473 13.967 2.035 85 HB3 SER 10 3HB SER 10 -4.480 13.577 0.641 86 H GLU 11 H GLU 11 -4.635 17.112 3.095 87 HA GLU 11 HA GLU 11 -2.073 18.538 2.807 88 HB2 GLU 11 2HB GLU 11 -3.132 20.279 4.240 89 HB3 GLU 11 3HB GLU 11 -3.951 20.017 2.705 90 HG2 GLU 11 2HG GLU 11 -5.666 18.699 3.813 91 HG3 GLU 11 3HG GLU 11 -4.831 18.881 5.358 92 H LEU 12 H LEU 12 -0.856 19.100 4.682 93 HA LEU 12 HA LEU 12 -1.382 17.776 7.196 94 HG LEU 12 HG LEU 12 0.092 16.615 4.156 95 HB2 LEU 12 2HB LEU 12 1.121 16.847 6.996 96 HB3 LEU 12 3HB LEU 12 -0.283 15.910 6.529 97 HD11 LEU 12 1HD1 LEU 12 2.279 17.543 3.537 98 HD12 LEU 12 2HD1 LEU 12 2.657 17.763 5.247 99 HD13 LEU 12 3HD1 LEU 12 1.328 18.662 4.514 100 HD21 LEU 12 3HD2 LEU 12 1.975 15.108 3.762 101 HD22 LEU 12 1HD2 LEU 12 0.869 14.449 4.967 102 HD23 LEU 12 2HD2 LEU 12 2.395 15.172 5.473 103 HA PRO 13 HA PRO 13 0.586 21.475 8.573 104 HB2 PRO 13 2HB PRO 13 0.957 20.934 11.177 105 HB3 PRO 13 3HB PRO 13 -0.661 21.067 10.478 106 HG2 PRO 13 2HG PRO 13 0.934 18.597 11.091 107 HG3 PRO 13 3HG PRO 13 -0.772 18.936 11.439 108 HD2 PRO 13 2HD PRO 13 0.049 17.466 9.289 109 HD3 PRO 13 3HD PRO 13 -1.441 18.431 9.295 110 H PHE 14 H PHE 14 2.495 19.520 7.370 111 HA PHE 14 HA PHE 14 4.923 20.644 8.435 112 HD1 PHE 14 HD2 PHE 14 5.098 16.645 7.054 113 HD2 PHE 14 HD1 PHE 14 2.959 17.674 10.590 114 HE1 PHE 14 HE2 PHE 14 3.771 14.584 6.850 115 HE2 PHE 14 HE1 PHE 14 1.634 15.613 10.388 116 HZ PHE 14 HZ PHE 14 2.040 14.065 8.516 117 HB2 PHE 14 2HB PHE 14 5.969 18.322 8.744 118 HB3 PHE 14 3HB PHE 14 4.884 18.892 10.003 119 H GLU 15 H GLU 15 6.885 19.879 7.149 120 HA GLU 15 HA GLU 15 6.059 19.188 4.393 121 HB2 GLU 15 2HB GLU 15 7.706 20.793 3.516 122 HB3 GLU 15 3HB GLU 15 6.450 21.580 4.461 123 HG2 GLU 15 2HG GLU 15 7.928 21.898 6.306 124 HG3 GLU 15 3HG GLU 15 9.159 20.875 5.568 125 H ARG 16 H ARG 16 8.243 18.523 6.957 126 HA ARG 16 HA ARG 16 9.962 16.998 5.090 127 HE ARG 16 HE ARG 16 12.573 20.765 4.122 128 HB2 ARG 16 2HB ARG 16 10.695 18.118 7.805 129 HB3 ARG 16 3HB ARG 16 11.757 17.168 6.772 130 HG2 ARG 16 2HG ARG 16 10.605 19.883 6.139 131 HG3 ARG 16 3HG ARG 16 12.277 19.528 6.579 132 HD2 ARG 16 2HD ARG 16 12.659 18.356 4.552 133 HD3 ARG 16 3HD ARG 16 10.939 18.305 4.167 134 HH11 ARG 16 1HH1 ARG 16 9.950 18.855 2.948 135 HH12 ARG 16 2HH1 ARG 16 9.571 19.958 1.674 136 HH21 ARG 16 1HH2 ARG 16 12.055 22.185 2.502 137 HH22 ARG 16 2HH2 ARG 16 10.747 21.828 1.428 138 H VAL 17 H VAL 17 9.565 14.907 5.104 139 HA VAL 17 HA VAL 17 8.980 13.573 7.674 140 HB VAL 17 HB VAL 17 7.533 11.959 6.443 141 HG11 VAL 17 1HG1 VAL 17 6.654 14.846 6.291 142 HG12 VAL 17 2HG1 VAL 17 6.534 13.795 7.702 143 HG13 VAL 17 3HG1 VAL 17 5.585 13.443 6.257 144 HG21 VAL 17 3HG2 VAL 17 8.407 12.261 4.187 145 HG22 VAL 17 1HG2 VAL 17 7.818 13.924 4.158 146 HG23 VAL 17 2HG2 VAL 17 6.673 12.582 4.215 147 H TYR 18 H TYR 18 10.182 11.820 8.131 148 HA TYR 18 HA TYR 18 12.079 10.857 6.089 149 HD1 TYR 18 HD1 TYR 18 14.657 10.356 6.413 150 HD2 TYR 18 HD2 TYR 18 12.823 8.500 9.774 151 HE1 TYR 18 HE1 TYR 18 16.291 8.530 6.293 152 HE2 TYR 18 HE2 TYR 18 14.454 6.669 9.659 153 HH TYR 18 HH TYR 18 17.241 6.822 7.603 154 HB2 TYR 18 2HB TYR 18 13.149 11.623 8.126 155 HB3 TYR 18 3HB TYR 18 12.091 10.620 9.112 156 H ILE 19 H ILE 19 11.742 8.908 5.163 157 HA ILE 19 HA ILE 19 9.920 7.023 6.528 158 HB ILE 19 HB ILE 19 9.183 7.850 4.274 159 HG12 ILE 19 2HG1 ILE 19 9.750 4.872 4.466 160 HG13 ILE 19 3HG1 ILE 19 8.381 5.703 5.199 161 HG21 ILE 19 1HG2 ILE 19 11.405 7.986 3.225 162 HG22 ILE 19 2HG2 ILE 19 10.290 7.011 2.269 163 HG23 ILE 19 3HG2 ILE 19 11.522 6.225 3.257 164 HD11 ILE 19 3HD1 ILE 19 7.563 6.299 2.973 165 HD12 ILE 19 1HD1 ILE 19 7.724 4.554 3.174 166 HD13 ILE 19 2HD1 ILE 19 8.930 5.448 2.249 167 H THR 20 H THR 20 10.490 4.865 6.764 168 HA THR 20 HA THR 20 13.091 3.991 5.709 169 HB THR 20 HB THR 20 13.605 4.684 7.983 170 HG1 THR 20 HG1 THR 20 14.778 2.915 7.452 171 HG21 THR 20 3HG2 THR 20 11.445 2.754 8.854 172 HG22 THR 20 1HG2 THR 20 11.383 4.511 8.988 173 HG23 THR 20 2HG2 THR 20 12.563 3.596 9.926 174 H ALA 21 H ALA 21 13.305 1.752 5.402 175 HA ALA 21 HA ALA 21 10.898 0.107 5.785 176 HB1 ALA 21 3HB ALA 21 10.982 -0.692 3.482 177 HB2 ALA 21 1HB ALA 21 12.350 0.371 3.148 178 HB3 ALA 21 2HB ALA 21 10.770 1.058 3.524 179 HA PRO 22 HA PRO 22 13.779 -2.890 7.291 180 HB2 PRO 22 2HB PRO 22 12.415 -5.196 6.555 181 HB3 PRO 22 3HB PRO 22 12.096 -4.247 8.010 182 HG2 PRO 22 2HG PRO 22 10.692 -4.199 5.368 183 HG3 PRO 22 3HG PRO 22 10.009 -4.119 7.004 184 HD2 PRO 22 2HD PRO 22 10.253 -1.921 5.499 185 HD3 PRO 22 3HD PRO 22 10.548 -1.865 7.250 186 H ALA 23 H ALA 23 12.419 -4.443 4.359 187 HA ALA 23 HA ALA 23 15.150 -4.984 3.429 188 HB1 ALA 23 3HB ALA 23 13.582 -6.859 3.547 189 HB2 ALA 23 1HB ALA 23 14.104 -6.567 1.890 190 HB3 ALA 23 2HB ALA 23 12.505 -6.037 2.417 191 H GLY 24 H GLY 24 13.419 -2.379 3.163 192 HA2 GLY 24 2HA GLY 24 13.243 -0.661 1.642 193 HA3 GLY 24 3HA GLY 24 14.474 -1.486 0.701 194 H LEU 25 H LEU 25 11.082 -2.237 1.544 195 HA LEU 25 HA LEU 25 10.562 -3.442 -0.990 196 HG LEU 25 HG LEU 25 9.864 -5.243 0.668 197 HB2 LEU 25 2HB LEU 25 8.622 -2.533 1.147 198 HB3 LEU 25 3HB LEU 25 8.200 -3.513 -0.241 199 HD11 LEU 25 1HD1 LEU 25 11.068 -3.898 2.254 200 HD12 LEU 25 2HD1 LEU 25 10.200 -5.162 3.122 201 HD13 LEU 25 3HD1 LEU 25 9.580 -3.510 3.119 202 HD21 LEU 25 3HD2 LEU 25 8.202 -6.160 2.232 203 HD22 LEU 25 1HD2 LEU 25 7.467 -5.583 0.737 204 HD23 LEU 25 2HD2 LEU 25 7.344 -4.619 2.209 205 H THR 26 H THR 26 9.091 -2.727 -2.631 206 HA THR 26 HA THR 26 9.489 -0.122 -3.546 207 HB THR 26 HB THR 26 7.802 -0.520 -5.223 208 HG1 THR 26 HG1 THR 26 6.040 -1.456 -4.523 209 HG21 THR 26 3HG2 THR 26 9.174 -3.133 -4.553 210 HG22 THR 26 1HG2 THR 26 9.883 -1.810 -5.480 211 HG23 THR 26 2HG2 THR 26 8.497 -2.692 -6.121 212 H ILE 27 H ILE 27 6.920 -1.430 -1.547 213 HA ILE 27 HA ILE 27 4.942 0.447 -1.619 214 HB ILE 27 HB ILE 27 4.883 -1.611 -0.244 215 HG12 ILE 27 2HG1 ILE 27 3.687 -0.624 1.742 216 HG13 ILE 27 3HG1 ILE 27 4.249 0.965 1.234 217 HG21 ILE 27 1HG2 ILE 27 7.115 -1.475 0.733 218 HG22 ILE 27 2HG2 ILE 27 5.889 -1.655 1.985 219 HG23 ILE 27 3HG2 ILE 27 6.623 -0.078 1.692 220 HD11 ILE 27 3HD1 ILE 27 3.011 0.743 -0.848 221 HD12 ILE 27 1HD1 ILE 27 1.952 0.547 0.547 222 HD13 ILE 27 2HD1 ILE 27 2.475 -0.867 -0.366 223 H GLY 28 H GLY 28 8.070 0.770 0.008 224 HA2 GLY 28 2HA GLY 28 7.435 3.195 1.392 225 HA3 GLY 28 3HA GLY 28 9.043 2.537 1.131 226 H SER 29 H SER 29 9.045 2.488 -1.697 227 HA SER 29 HA SER 29 9.755 5.228 -2.171 228 HG SER 29 HG SER 29 11.261 5.362 -3.892 229 HB2 SER 29 2HB SER 29 10.940 3.180 -3.141 230 HB3 SER 29 3HB SER 29 9.608 3.079 -4.293 231 H ASP 30 H ASP 30 7.099 3.120 -3.221 232 HA ASP 30 HA ASP 30 5.756 4.896 -4.911 233 HB2 ASP 30 2HB ASP 30 4.754 2.748 -3.036 234 HB3 ASP 30 3HB ASP 30 3.649 3.695 -4.028 235 H LEU 31 H LEU 31 5.750 4.646 -1.379 236 HA LEU 31 HA LEU 31 3.773 6.593 -0.882 237 HG LEU 31 HG LEU 31 4.967 7.775 1.810 238 HB2 LEU 31 2HB LEU 31 4.602 4.949 0.782 239 HB3 LEU 31 3HB LEU 31 6.113 5.835 0.873 240 HD11 LEU 31 1HD1 LEU 31 2.843 7.603 0.659 241 HD12 LEU 31 2HD1 LEU 31 2.581 7.662 2.402 242 HD13 LEU 31 3HD1 LEU 31 2.451 6.127 1.542 243 HD21 LEU 31 3HD2 LEU 31 4.234 5.205 3.222 244 HD22 LEU 31 1HD2 LEU 31 4.262 6.808 3.959 245 HD23 LEU 31 2HD2 LEU 31 5.756 6.081 3.372 246 H GLU 32 H GLU 32 7.313 6.891 -1.234 247 HA GLU 32 HA GLU 32 7.654 9.582 -0.662 248 HB2 GLU 32 2HB GLU 32 8.958 8.045 -2.929 249 HB3 GLU 32 3HB GLU 32 9.534 9.570 -2.277 250 HG2 GLU 32 2HG GLU 32 9.906 8.443 -0.095 251 HG3 GLU 32 3HG GLU 32 9.440 6.917 -0.849 252 H ARG 33 H ARG 33 6.711 8.125 -3.757 253 HA ARG 33 HA ARG 33 6.435 10.496 -5.248 254 HE ARG 33 HE ARG 33 8.109 5.559 -6.962 255 HB2 ARG 33 2HB ARG 33 4.831 7.959 -5.635 256 HB3 ARG 33 3HB ARG 33 5.222 9.165 -6.854 257 HG2 ARG 33 2HG ARG 33 7.592 8.544 -6.707 258 HG3 ARG 33 3HG ARG 33 7.194 7.333 -5.482 259 HD2 ARG 33 2HD ARG 33 5.674 6.259 -7.152 260 HD3 ARG 33 3HD ARG 33 6.277 7.393 -8.358 261 HH11 ARG 33 1HH1 ARG 33 6.847 6.915 -9.867 262 HH12 ARG 33 2HH1 ARG 33 7.829 5.920 -10.889 263 HH21 ARG 33 1HH2 ARG 33 9.350 4.265 -8.291 264 HH22 ARG 33 2HH2 ARG 33 9.226 4.437 -10.008 265 H VAL 34 H VAL 34 3.942 8.526 -3.629 266 HA VAL 34 HA VAL 34 1.719 10.066 -4.287 267 HB VAL 34 HB VAL 34 2.165 8.359 -1.829 268 HG11 VAL 34 1HG1 VAL 34 -0.288 8.230 -1.679 269 HG12 VAL 34 2HG1 VAL 34 -0.428 9.393 -2.998 270 HG13 VAL 34 3HG1 VAL 34 0.289 9.882 -1.462 271 HG21 VAL 34 3HG2 VAL 34 0.861 7.729 -4.485 272 HG22 VAL 34 1HG2 VAL 34 0.965 6.636 -3.103 273 HG23 VAL 34 2HG2 VAL 34 2.434 7.146 -3.936 274 H ILE 35 H ILE 35 3.758 10.305 -1.361 275 HA ILE 35 HA ILE 35 2.304 12.371 -0.108 276 HB ILE 35 HB ILE 35 5.246 11.687 0.114 277 HG12 ILE 35 2HG1 ILE 35 2.876 10.991 1.876 278 HG13 ILE 35 3HG1 ILE 35 3.732 9.878 0.813 279 HG21 ILE 35 1HG2 ILE 35 3.567 13.493 1.865 280 HG22 ILE 35 2HG2 ILE 35 4.905 13.984 0.825 281 HG23 ILE 35 3HG2 ILE 35 5.210 12.962 2.228 282 HD11 ILE 35 3HD1 ILE 35 5.749 10.144 2.157 283 HD12 ILE 35 1HD1 ILE 35 4.392 9.579 3.128 284 HD13 ILE 35 2HD1 ILE 35 4.897 11.266 3.220 285 H SER 36 H SER 36 5.318 12.632 -2.048 286 HA SER 36 HA SER 36 5.519 15.430 -1.901 287 HG SER 36 HG SER 36 6.968 16.298 -3.566 288 HB2 SER 36 2HB SER 36 7.415 14.055 -2.570 289 HB3 SER 36 3HB SER 36 6.572 13.551 -4.032 290 H THR 37 H THR 37 3.619 13.435 -4.061 291 HA THR 37 HA THR 37 3.133 15.621 -5.927 292 HB THR 37 HB THR 37 1.772 13.992 -7.185 293 HG1 THR 37 HG1 THR 37 2.534 11.798 -5.729 294 HG21 THR 37 3HG2 THR 37 4.199 14.106 -7.597 295 HG22 THR 37 1HG2 THR 37 3.579 12.470 -7.823 296 HG23 THR 37 2HG2 THR 37 4.463 12.882 -6.354 297 H HIS 38 H HIS 38 1.385 13.941 -3.355 298 HA HIS 38 HA HIS 38 -1.058 15.434 -4.054 299 HD1 HIS 38 HD1 HIS 38 -3.053 13.904 -5.128 300 HD2 HIS 38 HD2 HIS 38 -0.173 11.066 -4.164 301 HE1 HIS 38 HE1 HIS 38 -3.133 12.210 -6.977 302 HE2 HIS 38 HE2 HIS 38 -1.274 10.597 -6.456 303 HB2 HIS 38 2HB HIS 38 -0.677 12.999 -2.305 304 HB3 HIS 38 3HB HIS 38 -2.215 13.827 -2.534 305 H THR 39 H THR 39 1.501 15.733 -1.922 306 HA THR 39 HA THR 39 -0.135 17.489 -0.193 307 HB THR 39 HB THR 39 0.899 16.844 1.802 308 HG1 THR 39 HG1 THR 39 2.868 15.387 0.339 309 HG21 THR 39 3HG2 THR 39 0.762 14.397 1.966 310 HG22 THR 39 1HG2 THR 39 0.749 14.278 0.207 311 HG23 THR 39 2HG2 THR 39 -0.594 15.055 1.048 312 H ARG 40 H ARG 40 1.637 18.811 1.242 313 HA ARG 40 HA ARG 40 3.414 20.093 -0.709 314 HE ARG 40 HE ARG 40 5.236 24.280 0.063 315 HB2 ARG 40 2HB ARG 40 1.811 21.494 0.582 316 HB3 ARG 40 3HB ARG 40 2.608 21.007 2.070 317 HG2 ARG 40 2HG ARG 40 3.299 23.240 1.333 318 HG3 ARG 40 3HG ARG 40 4.654 22.110 1.381 319 HD2 ARG 40 2HD ARG 40 4.433 21.785 -1.058 320 HD3 ARG 40 3HD ARG 40 3.124 22.968 -1.083 321 HH11 ARG 40 1HH1 ARG 40 4.818 22.531 -2.881 322 HH12 ARG 40 2HH1 ARG 40 5.853 23.584 -3.780 323 HH21 ARG 40 1HH2 ARG 40 6.606 25.599 -1.109 324 HH22 ARG 40 2HH2 ARG 40 6.856 25.285 -2.793 325 H ALA 41 H ALA 41 3.658 17.632 1.425 326 HA ALA 41 HA ALA 41 6.150 18.342 2.716 327 HB1 ALA 41 3HB ALA 41 4.670 15.712 2.672 328 HB2 ALA 41 1HB ALA 41 4.486 16.979 3.884 329 HB3 ALA 41 2HB ALA 41 6.022 16.127 3.727 330 H LYS 42 H LYS 42 8.016 16.819 2.613 331 HA LYS 42 HA LYS 42 8.363 15.384 0.085 332 HB2 LYS 42 2HB LYS 42 9.206 17.831 -0.062 333 HB3 LYS 42 3HB LYS 42 10.485 17.325 1.027 334 HG2 LYS 42 2HG LYS 42 9.960 16.016 -1.641 335 HG3 LYS 42 3HG LYS 42 11.078 17.360 -1.421 336 HD2 LYS 42 2HD LYS 42 12.414 16.012 0.121 337 HD3 LYS 42 3HD LYS 42 11.273 14.680 -0.036 338 HE2 LYS 42 2HE LYS 42 11.801 14.560 -2.456 339 HE3 LYS 42 3HE LYS 42 13.015 15.819 -2.224 340 HZ1 LYS 42 3HZ LYS 42 13.026 13.163 -0.878 341 HZ2 LYS 42 1HZ LYS 42 14.209 14.362 -0.730 342 HZ3 LYS 42 2HZ LYS 42 13.975 13.583 -2.213 343 H VAL 43 H VAL 43 9.545 13.546 0.342 344 HA VAL 43 HA VAL 43 10.189 12.673 2.991 345 HB VAL 43 HB VAL 43 10.692 11.354 0.313 346 HG11 VAL 43 1HG1 VAL 43 10.861 10.195 3.099 347 HG12 VAL 43 2HG1 VAL 43 12.214 10.477 2.003 348 HG13 VAL 43 3HG1 VAL 43 10.986 9.279 1.596 349 HG21 VAL 43 3HG2 VAL 43 8.715 10.002 0.873 350 HG22 VAL 43 1HG2 VAL 43 8.318 11.719 0.783 351 HG23 VAL 43 2HG2 VAL 43 8.496 10.935 2.353 352 H VAL 44 H VAL 44 12.076 12.836 4.049 353 HA VAL 44 HA VAL 44 14.500 13.580 2.539 354 HB VAL 44 HB VAL 44 15.392 14.442 4.683 355 HG11 VAL 44 1HG1 VAL 44 13.965 16.431 4.818 356 HG12 VAL 44 2HG1 VAL 44 12.705 15.595 3.910 357 HG13 VAL 44 3HG1 VAL 44 14.252 15.959 3.144 358 HG21 VAL 44 3HG2 VAL 44 14.141 13.004 6.222 359 HG22 VAL 44 1HG2 VAL 44 12.639 13.815 5.774 360 HG23 VAL 44 2HG2 VAL 44 13.908 14.706 6.617 361 H ASN 45 H ASN 45 16.545 12.672 3.199 362 HA ASN 45 HA ASN 45 16.309 9.845 3.859 363 HB2 ASN 45 2HB ASN 45 17.632 10.582 1.899 364 HB3 ASN 45 3HB ASN 45 18.719 11.458 2.968 365 HD21 ASN 45 1HD2 ASN 45 20.228 10.323 4.152 366 HD22 ASN 45 2HD2 ASN 45 20.563 8.651 3.886 367 H LYS 46 H LYS 46 16.791 12.616 5.645 368 HA LYS 46 HA LYS 46 18.254 11.139 7.736 369 HB2 LYS 46 2HB LYS 46 19.422 13.199 8.395 370 HB3 LYS 46 3HB LYS 46 19.828 12.718 6.758 371 HG2 LYS 46 2HG LYS 46 17.712 14.779 7.296 372 HG3 LYS 46 3HG LYS 46 19.422 15.205 7.249 373 HD2 LYS 46 2HD LYS 46 19.555 14.263 4.957 374 HD3 LYS 46 3HD LYS 46 17.820 13.946 5.012 375 HE2 LYS 46 2HE LYS 46 17.341 16.300 5.191 376 HE3 LYS 46 3HE LYS 46 19.058 16.681 5.350 377 HZ1 LYS 46 3HZ LYS 46 17.747 15.530 2.945 378 HZ2 LYS 46 1HZ LYS 46 19.401 15.848 3.099 379 HZ3 LYS 46 2HZ LYS 46 18.288 17.120 3.118 380 H ALA 47 H ALA 47 17.547 11.391 9.823 381 HA ALA 47 HA ALA 47 14.890 12.543 10.140 382 HB1 ALA 47 3HB ALA 47 16.552 10.957 12.103 383 HB2 ALA 47 1HB ALA 47 15.363 10.285 10.984 384 HB3 ALA 47 2HB ALA 47 14.846 11.371 12.274 385 H GLU 48 H GLU 48 18.006 13.708 10.555 386 HA GLU 48 HA GLU 48 17.967 15.088 12.973 387 HB2 GLU 48 2HB GLU 48 19.675 16.536 12.048 388 HB3 GLU 48 3HB GLU 48 19.949 14.892 11.491 389 HG2 GLU 48 2HG GLU 48 18.929 15.454 9.333 390 HG3 GLU 48 3HG GLU 48 18.672 17.106 9.892 391 H LYS 49 H LYS 49 16.525 15.980 9.884 392 HA LYS 49 HA LYS 49 14.984 18.062 11.272 393 HB2 LYS 49 2HB LYS 49 16.725 19.232 10.021 394 HB3 LYS 49 3HB LYS 49 16.284 18.374 8.551 395 HG2 LYS 49 2HG LYS 49 14.137 19.481 8.494 396 HG3 LYS 49 3HG LYS 49 14.460 20.260 10.042 397 HD2 LYS 49 2HD LYS 49 16.247 20.679 7.651 398 HD3 LYS 49 3HD LYS 49 14.795 21.646 7.900 399 HE2 LYS 49 2HE LYS 49 16.750 22.808 8.764 400 HE3 LYS 49 3HE LYS 49 15.659 22.381 10.079 401 HZ1 LYS 49 3HZ LYS 49 18.025 21.984 10.572 402 HZ2 LYS 49 1HZ LYS 49 18.083 20.828 9.343 403 HZ3 LYS 49 2HZ LYS 49 17.093 20.583 10.692 404 H SER 50 H SER 50 13.220 16.726 11.383 405 HA SER 50 HA SER 50 11.519 16.620 9.083 406 HG SER 50 HG SER 50 12.285 12.856 10.333 407 HB2 SER 50 2HB SER 50 11.215 14.161 9.031 408 HB3 SER 50 3HB SER 50 12.872 14.606 8.620 409 H GLU 51 H GLU 51 9.500 16.925 9.810 410 HA GLU 51 HA GLU 51 8.973 17.041 12.609 411 HB2 GLU 51 2HB GLU 51 7.064 17.243 10.269 412 HB3 GLU 51 3HB GLU 51 6.653 17.616 11.935 413 HG2 GLU 51 2HG GLU 51 7.036 19.689 10.927 414 HG3 GLU 51 3HG GLU 51 8.498 19.361 11.851 415 H ALA 52 H ALA 52 8.282 14.664 10.121 416 HA ALA 52 HA ALA 52 7.222 12.862 12.200 417 HB1 ALA 52 3HB ALA 52 5.308 13.803 10.985 418 HB2 ALA 52 1HB ALA 52 5.466 12.067 10.713 419 HB3 ALA 52 2HB ALA 52 5.979 13.206 9.467 420 H ILE 53 H ILE 53 7.526 10.639 11.828 421 HA ILE 53 HA ILE 53 9.343 9.911 9.619 422 HB ILE 53 HB ILE 53 9.498 8.974 12.496 423 HG12 ILE 53 2HG1 ILE 53 11.429 10.557 10.767 424 HG13 ILE 53 3HG1 ILE 53 10.509 11.172 12.135 425 HG21 ILE 53 1HG2 ILE 53 11.417 7.603 11.772 426 HG22 ILE 53 2HG2 ILE 53 11.086 8.043 10.097 427 HG23 ILE 53 3HG2 ILE 53 9.910 7.095 11.006 428 HD11 ILE 53 3HD1 ILE 53 12.656 9.069 12.272 429 HD12 ILE 53 1HD1 ILE 53 11.751 9.721 13.638 430 HD13 ILE 53 2HD1 ILE 53 12.834 10.766 12.717 431 H ILE 54 H ILE 54 8.457 8.426 8.342 432 HA ILE 54 HA ILE 54 6.251 6.766 9.349 433 HB ILE 54 HB ILE 54 7.151 7.198 6.485 434 HG12 ILE 54 2HG1 ILE 54 4.803 8.388 8.006 435 HG13 ILE 54 3HG1 ILE 54 6.254 9.260 7.522 436 HG21 ILE 54 1HG2 ILE 54 5.025 6.141 5.880 437 HG22 ILE 54 2HG2 ILE 54 4.665 5.870 7.586 438 HG23 ILE 54 3HG2 ILE 54 6.028 5.045 6.830 439 HD11 ILE 54 3HD1 ILE 54 4.381 9.739 6.049 440 HD12 ILE 54 1HD1 ILE 54 4.237 8.027 5.654 441 HD13 ILE 54 2HD1 ILE 54 5.679 8.925 5.179 442 H GLN 55 H GLN 55 6.844 4.854 10.137 443 HA GLN 55 HA GLN 55 9.101 3.417 8.899 444 HB2 GLN 55 2HB GLN 55 9.322 3.967 11.302 445 HB3 GLN 55 3HB GLN 55 7.861 3.055 11.642 446 HG2 GLN 55 2HG GLN 55 10.118 1.658 10.283 447 HG3 GLN 55 3HG GLN 55 10.267 2.027 11.997 448 HE21 GLN 55 1HE2 GLN 55 10.080 -0.542 10.641 449 HE22 GLN 55 2HE2 GLN 55 8.726 -1.349 11.342 450 H ILE 56 H ILE 56 8.314 2.104 7.332 451 HA ILE 56 HA ILE 56 5.774 0.746 7.669 452 HB ILE 56 HB ILE 56 6.439 1.651 5.463 453 HG12 ILE 56 2HG1 ILE 56 4.866 -0.368 5.783 454 HG13 ILE 56 3HG1 ILE 56 5.483 -0.055 4.168 455 HG21 ILE 56 1HG2 ILE 56 8.813 1.234 5.499 456 HG22 ILE 56 2HG2 ILE 56 8.091 0.478 4.078 457 HG23 ILE 56 3HG2 ILE 56 8.540 -0.508 5.469 458 HD11 ILE 56 3HD1 ILE 56 7.131 -1.836 4.460 459 HD12 ILE 56 1HD1 ILE 56 5.483 -2.424 4.675 460 HD13 ILE 56 2HD1 ILE 56 6.509 -2.143 6.082 461 H VAL 57 H VAL 57 5.544 -1.139 8.650 462 HA VAL 57 HA VAL 57 7.821 -2.505 9.726 463 HB VAL 57 HB VAL 57 4.913 -3.349 9.804 464 HG11 VAL 57 1HG1 VAL 57 7.247 -4.132 11.564 465 HG12 VAL 57 2HG1 VAL 57 6.441 -5.166 10.383 466 HG13 VAL 57 3HG1 VAL 57 5.567 -4.612 11.811 467 HG21 VAL 57 3HG2 VAL 57 6.484 -1.655 11.752 468 HG22 VAL 57 1HG2 VAL 57 4.841 -2.248 12.001 469 HG23 VAL 57 2HG2 VAL 57 5.180 -1.102 10.703 470 H HIS 58 H HIS 58 5.174 -3.620 7.579 471 HA HIS 58 HA HIS 58 6.889 -5.185 5.940 472 HD1 HIS 58 HD1 HIS 58 5.122 -9.224 7.411 473 HD2 HIS 58 HD2 HIS 58 7.954 -7.266 5.086 474 HE1 HIS 58 HE1 HIS 58 5.967 -10.942 5.790 475 HE2 HIS 58 HE2 HIS 58 7.852 -9.800 4.580 476 HB2 HIS 58 2HB HIS 58 6.919 -6.509 8.088 477 HB3 HIS 58 3HB HIS 58 5.193 -6.777 7.882 478 H ALA 59 H ALA 59 5.872 -5.687 4.056 479 HA ALA 59 HA ALA 59 2.944 -5.311 3.913 480 HB1 ALA 59 3HB ALA 59 4.267 -3.740 2.557 481 HB2 ALA 59 1HB ALA 59 3.253 -4.779 1.555 482 HB3 ALA 59 2HB ALA 59 4.982 -5.099 1.690 483 H ILE 60 H ILE 60 1.809 -7.162 3.789 484 HA ILE 60 HA ILE 60 3.067 -9.541 2.546 485 HB ILE 60 HB ILE 60 0.772 -9.572 4.526 486 HG12 ILE 60 2HG1 ILE 60 2.586 -10.544 6.101 487 HG13 ILE 60 3HG1 ILE 60 3.745 -9.793 5.010 488 HG21 ILE 60 1HG2 ILE 60 2.568 -11.779 3.511 489 HG22 ILE 60 2HG2 ILE 60 0.878 -11.521 3.074 490 HG23 ILE 60 3HG2 ILE 60 1.303 -11.962 4.728 491 HD11 ILE 60 3HD1 ILE 60 2.771 -7.609 5.466 492 HD12 ILE 60 1HD1 ILE 60 3.294 -8.402 6.950 493 HD13 ILE 60 2HD1 ILE 60 1.582 -8.357 6.533 494 H ARG 61 H ARG 61 2.095 -10.389 0.740 495 HA ARG 61 HA ARG 61 -0.780 -10.027 0.399 496 HE ARG 61 HE ARG 61 3.124 -8.588 -4.069 497 HB2 ARG 61 2HB ARG 61 -0.562 -9.228 -1.927 498 HB3 ARG 61 3HB ARG 61 0.054 -8.086 -0.747 499 HG2 ARG 61 2HG ARG 61 2.361 -8.890 -1.268 500 HG3 ARG 61 3HG ARG 61 1.668 -9.871 -2.561 501 HD2 ARG 61 2HD ARG 61 0.723 -7.806 -3.564 502 HD3 ARG 61 3HD ARG 61 1.534 -6.860 -2.315 503 HH11 ARG 61 1HH1 ARG 61 2.289 -5.407 -3.016 504 HH12 ARG 61 2HH1 ARG 61 3.592 -4.666 -3.872 505 HH21 ARG 61 1HH2 ARG 61 4.766 -7.625 -5.169 506 HH22 ARG 61 2HH2 ARG 61 4.989 -5.909 -5.061 507 H GLU 62 H GLU 62 -1.741 -11.794 -0.333 508 HA GLU 62 HA GLU 62 -0.150 -13.818 -1.779 509 HB2 GLU 62 2HB GLU 62 -2.083 -14.331 0.498 510 HB3 GLU 62 3HB GLU 62 -1.377 -15.587 -0.510 511 HG2 GLU 62 2HG GLU 62 0.866 -14.916 0.282 512 HG3 GLU 62 3HG GLU 62 0.110 -13.720 1.335 513 H LYS 63 H LYS 63 -1.117 -14.680 -3.528 514 HA LYS 63 HA LYS 63 -3.846 -13.868 -4.160 515 HB2 LYS 63 2HB LYS 63 -3.352 -14.769 -6.415 516 HB3 LYS 63 3HB LYS 63 -2.198 -13.548 -5.902 517 HG2 LYS 63 2HG LYS 63 -0.658 -15.437 -5.241 518 HG3 LYS 63 3HG LYS 63 -1.785 -16.526 -6.052 519 HD2 LYS 63 2HD LYS 63 -0.257 -14.238 -7.306 520 HD3 LYS 63 3HD LYS 63 0.030 -15.959 -7.553 521 HE2 LYS 63 2HE LYS 63 -2.220 -16.160 -8.563 522 HE3 LYS 63 3HE LYS 63 -2.441 -14.421 -8.370 523 HZ1 LYS 63 3HZ LYS 63 -0.475 -14.101 -9.799 524 HZ2 LYS 63 1HZ LYS 63 -1.739 -14.894 -10.596 525 HZ3 LYS 63 2HZ LYS 63 -0.401 -15.773 -10.050 526 H ARG 64 H ARG 64 -5.437 -15.124 -3.389 527 HA ARG 64 HA ARG 64 -5.069 -18.055 -3.387 528 HE ARG 64 HE ARG 64 -4.290 -15.832 0.601 529 HB2 ARG 64 2HB ARG 64 -6.195 -18.151 -1.183 530 HB3 ARG 64 3HB ARG 64 -4.670 -17.278 -1.127 531 HG2 ARG 64 2HG ARG 64 -5.895 -15.144 -1.169 532 HG3 ARG 64 3HG ARG 64 -7.421 -16.030 -1.191 533 HD2 ARG 64 2HD ARG 64 -6.953 -15.296 1.063 534 HD3 ARG 64 3HD ARG 64 -6.818 -17.051 0.984 535 HH11 ARG 64 1HH1 ARG 64 -6.590 -16.622 3.049 536 HH12 ARG 64 2HH1 ARG 64 -5.402 -16.630 4.308 537 HH21 ARG 64 1HH2 ARG 64 -2.769 -15.863 2.255 538 HH22 ARG 64 2HH2 ARG 64 -3.289 -16.219 3.863 539 H ILE 65 H ILE 65 -7.296 -19.134 -2.781 540 HA ILE 65 HA ILE 65 -9.199 -18.239 -4.774 541 HB ILE 65 HB ILE 65 -8.830 -20.718 -3.153 542 HG12 ILE 65 2HG1 ILE 65 -7.866 -20.502 -5.412 543 HG13 ILE 65 3HG1 ILE 65 -9.063 -21.793 -5.344 544 HG21 ILE 65 1HG2 ILE 65 -11.158 -20.271 -2.699 545 HG22 ILE 65 2HG2 ILE 65 -11.035 -21.596 -3.857 546 HG23 ILE 65 3HG2 ILE 65 -11.476 -19.979 -4.409 547 HD11 ILE 65 3HD1 ILE 65 -9.278 -20.504 -7.384 548 HD12 ILE 65 1HD1 ILE 65 -9.504 -19.025 -6.450 549 HD13 ILE 65 2HD1 ILE 65 -10.713 -20.309 -6.377 550 H LEU 66 H LEU 66 -11.208 -17.426 -4.465 551 HA LEU 66 HA LEU 66 -12.099 -16.945 -1.691 552 HG LEU 66 HG LEU 66 -14.586 -15.230 -2.463 553 HB2 LEU 66 2HB LEU 66 -11.630 -14.926 -3.058 554 HB3 LEU 66 3HB LEU 66 -12.851 -15.443 -4.203 555 HD11 LEU 66 1HD1 LEU 66 -14.065 -14.143 -0.331 556 HD12 LEU 66 2HD1 LEU 66 -12.347 -14.177 -0.731 557 HD13 LEU 66 3HD1 LEU 66 -13.228 -15.686 -0.495 558 HD21 LEU 66 3HD2 LEU 66 -14.122 -13.340 -3.938 559 HD22 LEU 66 1HD2 LEU 66 -12.903 -12.746 -2.809 560 HD23 LEU 66 2HD2 LEU 66 -14.601 -12.790 -2.332 561 H SER 67 H SER 67 -13.338 -17.667 -4.974 562 HA SER 67 HA SER 67 -15.527 -19.213 -3.732 563 HG SER 67 HG SER 67 -16.670 -17.218 -3.320 564 HB2 SER 67 2HB SER 67 -15.858 -17.268 -6.036 565 HB3 SER 67 3HB SER 67 -17.118 -18.329 -5.405 566 H LEU 68 H LEU 68 -16.085 -21.097 -4.727 567 HA LEU 68 HA LEU 68 -14.646 -21.820 -7.215 568 HG LEU 68 HG LEU 68 -13.132 -22.090 -4.540 569 HB2 LEU 68 2HB LEU 68 -15.136 -23.534 -4.771 570 HB3 LEU 68 3HB LEU 68 -14.507 -24.143 -6.289 571 HD11 LEU 68 1HD1 LEU 68 -11.557 -23.872 -4.008 572 HD12 LEU 68 2HD1 LEU 68 -12.504 -25.015 -4.961 573 HD13 LEU 68 3HD1 LEU 68 -13.189 -24.306 -3.499 574 HD21 LEU 68 3HD2 LEU 68 -12.602 -21.812 -6.909 575 HD22 LEU 68 1HD2 LEU 68 -12.184 -23.523 -7.028 576 HD23 LEU 68 2HD2 LEU 68 -11.214 -22.443 -6.025 577 H SER 69 H SER 69 -15.575 -23.881 -8.199 578 HA SER 69 HA SER 69 -18.404 -24.403 -7.690 579 HG SER 69 HG SER 69 -20.009 -23.849 -10.365 580 HB2 SER 69 2HB SER 69 -18.569 -22.686 -9.397 581 HB3 SER 69 3HB SER 69 -17.374 -23.508 -10.400 582 H GLU 70 H GLU 70 -19.123 -26.283 -9.268 583 HA GLU 70 HA GLU 70 -18.874 -28.495 -9.809 584 HB2 GLU 70 2HB GLU 70 -16.276 -27.401 -10.905 585 HB3 GLU 70 3HB GLU 70 -16.918 -28.992 -11.288 586 HG2 GLU 70 2HG GLU 70 -18.832 -28.017 -12.374 587 HG3 GLU 70 3HG GLU 70 -18.345 -26.399 -11.867 588 H SER 71 H SER 71 -17.719 -27.615 -7.150 589 HA SER 71 HA SER 71 -16.703 -28.579 -5.356 590 HG SER 71 HG SER 71 -18.294 -31.660 -6.413 591 HB2 SER 71 2HB SER 71 -16.380 -31.012 -7.142 592 HB3 SER 71 3HB SER 71 -16.128 -30.982 -5.399 593 H GLY 72 H GLY 72 -15.135 -26.970 -7.197 594 HA2 GLY 72 2HA GLY 72 -12.707 -26.886 -6.104 595 HA3 GLY 72 3HA GLY 72 -12.491 -28.246 -7.189 596 H ARG 73 H ARG 73 -14.366 -26.771 -9.147 597 HA ARG 73 HA ARG 73 -12.433 -25.701 -10.836 598 HE ARG 73 HE ARG 73 -15.031 -26.525 -13.979 599 HB2 ARG 73 2HB ARG 73 -14.711 -26.389 -11.548 600 HB3 ARG 73 3HB ARG 73 -15.370 -24.966 -10.753 601 HG2 ARG 73 2HG ARG 73 -15.253 -24.366 -13.006 602 HG3 ARG 73 3HG ARG 73 -13.832 -23.608 -12.283 603 HD2 ARG 73 2HD ARG 73 -13.147 -24.612 -14.341 604 HD3 ARG 73 3HD ARG 73 -12.495 -25.595 -13.029 605 HH11 ARG 73 1HH1 ARG 73 -11.623 -26.690 -14.474 606 HH12 ARG 73 2HH1 ARG 73 -11.723 -28.167 -15.367 607 HH21 ARG 73 1HH2 ARG 73 -15.149 -28.421 -15.066 608 HH22 ARG 73 2HH2 ARG 73 -13.709 -29.141 -15.708 609 H VAL 74 H VAL 74 -11.324 -23.857 -10.854 610 HA VAL 74 HA VAL 74 -11.614 -21.837 -8.895 611 HB VAL 74 HB VAL 74 -10.092 -21.739 -11.516 612 HG11 VAL 74 1HG1 VAL 74 -10.425 -19.498 -10.653 613 HG12 VAL 74 2HG1 VAL 74 -8.744 -19.979 -10.423 614 HG13 VAL 74 3HG1 VAL 74 -9.860 -19.995 -9.058 615 HG21 VAL 74 3HG2 VAL 74 -9.380 -23.598 -10.108 616 HG22 VAL 74 1HG2 VAL 74 -9.171 -22.503 -8.739 617 HG23 VAL 74 2HG2 VAL 74 -8.135 -22.349 -10.159 618 H ARG 75 H ARG 75 -12.778 -20.000 -8.858 619 HA ARG 75 HA ARG 75 -13.940 -18.961 -11.374 620 HE ARG 75 HE ARG 75 -17.749 -18.273 -10.361 621 HB2 ARG 75 2HB ARG 75 -15.229 -19.139 -8.644 622 HB3 ARG 75 3HB ARG 75 -15.862 -18.135 -9.941 623 HG2 ARG 75 2HG ARG 75 -16.154 -20.154 -11.328 624 HG3 ARG 75 3HG ARG 75 -15.586 -21.138 -9.975 625 HD2 ARG 75 2HD ARG 75 -18.049 -21.068 -10.131 626 HD3 ARG 75 3HD ARG 75 -17.450 -20.407 -8.611 627 HH11 ARG 75 1HH1 ARG 75 -19.780 -20.631 -8.875 628 HH12 ARG 75 2HH1 ARG 75 -21.151 -19.582 -8.848 629 HH21 ARG 75 1HH2 ARG 75 -19.519 -16.952 -10.325 630 HH22 ARG 75 2HH2 ARG 75 -21.016 -17.545 -9.684 631 H GLU 76 H GLU 76 -13.886 -17.812 -8.013 632 HA GLU 76 HA GLU 76 -12.882 -15.214 -8.974 633 HB2 GLU 76 2HB GLU 76 -14.545 -15.891 -6.532 634 HB3 GLU 76 3HB GLU 76 -13.992 -14.275 -6.959 635 HG2 GLU 76 2HG GLU 76 -15.346 -14.242 -8.925 636 HG3 GLU 76 3HG GLU 76 -15.734 -15.952 -8.760 637 H PHE 77 H PHE 77 -10.829 -14.845 -8.538 638 HA PHE 77 HA PHE 77 -9.466 -16.290 -6.388 639 HD1 PHE 77 HD1 PHE 77 -8.412 -18.164 -8.166 640 HD2 PHE 77 HD2 PHE 77 -5.832 -14.927 -7.163 641 HE1 PHE 77 HE1 PHE 77 -6.613 -19.761 -7.654 642 HE2 PHE 77 HE2 PHE 77 -4.034 -16.522 -6.650 643 HZ PHE 77 HZ PHE 77 -4.418 -18.939 -6.893 644 HB2 PHE 77 2HB PHE 77 -8.766 -15.761 -8.988 645 HB3 PHE 77 3HB PHE 77 -7.908 -14.481 -8.143 646 H GLU 78 H GLU 78 -9.055 -15.322 -4.477 647 HA GLU 78 HA GLU 78 -9.509 -12.463 -4.165 648 HB2 GLU 78 2HB GLU 78 -10.504 -13.933 -2.503 649 HB3 GLU 78 3HB GLU 78 -8.931 -14.622 -2.121 650 HG2 GLU 78 2HG GLU 78 -8.181 -12.445 -1.276 651 HG3 GLU 78 3HG GLU 78 -9.757 -11.755 -1.659 652 H LEU 79 H LEU 79 -7.822 -11.220 -4.754 653 HA LEU 79 HA LEU 79 -5.099 -11.922 -3.993 654 HG LEU 79 HG LEU 79 -6.658 -11.179 -6.802 655 HB2 LEU 79 2HB LEU 79 -6.109 -9.369 -5.261 656 HB3 LEU 79 3HB LEU 79 -4.443 -9.909 -5.177 657 HD11 LEU 79 1HD1 LEU 79 -5.874 -9.084 -7.743 658 HD12 LEU 79 2HD1 LEU 79 -5.342 -10.444 -8.731 659 HD13 LEU 79 3HD1 LEU 79 -4.204 -9.641 -7.647 660 HD21 LEU 79 3HD2 LEU 79 -4.929 -12.649 -7.706 661 HD22 LEU 79 1HD2 LEU 79 -5.124 -12.883 -5.969 662 HD23 LEU 79 2HD2 LEU 79 -3.750 -11.964 -6.588 663 H VAL 80 H VAL 80 -5.010 -11.818 -1.739 664 HA VAL 80 HA VAL 80 -6.105 -9.487 -0.368 665 HB VAL 80 HB VAL 80 -6.494 -11.702 0.603 666 HG11 VAL 80 1HG1 VAL 80 -4.679 -12.967 1.662 667 HG12 VAL 80 2HG1 VAL 80 -3.504 -11.827 1.006 668 HG13 VAL 80 3HG1 VAL 80 -4.458 -12.836 -0.081 669 HG21 VAL 80 3HG2 VAL 80 -6.486 -9.777 2.090 670 HG22 VAL 80 1HG2 VAL 80 -4.744 -9.938 2.327 671 HG23 VAL 80 2HG2 VAL 80 -5.835 -11.191 2.920 672 H TYR 81 H TYR 81 -4.952 -7.934 0.702 673 HA TYR 81 HA TYR 81 -2.015 -8.052 0.705 674 HD1 TYR 81 HD2 TYR 81 -0.518 -6.743 1.137 675 HD2 TYR 81 HD1 TYR 81 -1.942 -4.424 -2.141 676 HE1 TYR 81 HE2 TYR 81 1.664 -5.631 0.983 677 HE2 TYR 81 HE1 TYR 81 0.242 -3.309 -2.300 678 HH TYR 81 HH TYR 81 2.182 -2.836 -0.895 679 HB2 TYR 81 2HB TYR 81 -2.919 -6.843 -1.367 680 HB3 TYR 81 3HB TYR 81 -3.504 -5.601 -0.273 681 H ARG 82 H ARG 82 -1.248 -7.441 2.647 682 HA ARG 82 HA ARG 82 -2.804 -5.558 4.297 683 HE ARG 82 HE ARG 82 -3.498 -7.685 7.896 684 HB2 ARG 82 2HB ARG 82 -1.357 -8.052 5.227 685 HB3 ARG 82 3HB ARG 82 -2.020 -6.830 6.306 686 HG2 ARG 82 2HG ARG 82 -4.262 -7.297 5.523 687 HG3 ARG 82 3HG ARG 82 -3.638 -8.446 4.338 688 HD2 ARG 82 2HD ARG 82 -4.540 -9.587 6.308 689 HD3 ARG 82 3HD ARG 82 -2.809 -9.873 6.128 690 HH11 ARG 82 1HH1 ARG 82 -2.891 -11.065 7.651 691 HH12 ARG 82 2HH1 ARG 82 -2.454 -11.216 9.318 692 HH21 ARG 82 1HH2 ARG 82 -2.938 -7.892 10.039 693 HH22 ARG 82 2HH2 ARG 82 -2.498 -9.455 10.656 694 H VAL 83 H VAL 83 -1.667 -3.730 4.434 695 HA VAL 83 HA VAL 83 1.278 -3.842 4.514 696 HB VAL 83 HB VAL 83 -0.507 -1.433 4.064 697 HG11 VAL 83 1HG1 VAL 83 2.480 -1.769 3.735 698 HG12 VAL 83 2HG1 VAL 83 1.665 -0.843 4.997 699 HG13 VAL 83 3HG1 VAL 83 1.552 -0.329 3.314 700 HG21 VAL 83 3HG2 VAL 83 0.151 -1.594 1.705 701 HG22 VAL 83 1HG2 VAL 83 -0.725 -3.034 2.227 702 HG23 VAL 83 2HG2 VAL 83 1.029 -3.085 2.048 703 H ALA 84 H ALA 84 2.136 -3.835 6.503 704 HA ALA 84 HA ALA 84 0.740 -2.432 8.685 705 HB1 ALA 84 3HB ALA 84 2.165 -3.733 10.194 706 HB2 ALA 84 1HB ALA 84 2.995 -4.440 8.807 707 HB3 ALA 84 2HB ALA 84 1.286 -4.781 9.079 708 H ALA 85 H ALA 85 1.522 -0.568 9.516 709 HA ALA 85 HA ALA 85 4.345 0.092 9.442 710 HB1 ALA 85 3HB ALA 85 2.360 1.784 7.910 711 HB2 ALA 85 1HB ALA 85 3.641 0.798 7.207 712 HB3 ALA 85 2HB ALA 85 4.050 2.195 8.204 713 H ARG 86 H ARG 86 4.772 2.223 10.553 714 HA ARG 86 HA ARG 86 2.589 3.036 12.370 715 HE ARG 86 HE ARG 86 3.969 -0.997 15.125 716 HB2 ARG 86 2HB ARG 86 5.485 2.573 13.115 717 HB3 ARG 86 3HB ARG 86 4.313 3.372 14.156 718 HG2 ARG 86 2HG ARG 86 2.939 1.287 14.093 719 HG3 ARG 86 3HG ARG 86 4.256 0.509 13.212 720 HD2 ARG 86 2HD ARG 86 5.771 0.981 15.095 721 HD3 ARG 86 3HD ARG 86 4.431 1.717 15.977 722 HH11 ARG 86 1HH1 ARG 86 5.061 1.055 17.666 723 HH12 ARG 86 2HH1 ARG 86 4.938 -0.187 18.857 724 HH21 ARG 86 1HH2 ARG 86 3.793 -2.565 16.669 725 HH22 ARG 86 2HH2 ARG 86 4.239 -2.216 18.302 726 H LEU 87 H LEU 87 2.626 5.199 13.097 727 HA LEU 87 HA LEU 87 4.154 7.026 11.359 728 HG LEU 87 HG LEU 87 3.024 9.620 12.091 729 HB2 LEU 87 2HB LEU 87 1.619 7.054 11.327 730 HB3 LEU 87 3HB LEU 87 1.679 7.666 12.970 731 HD11 LEU 87 1HD1 LEU 87 2.196 8.449 9.437 732 HD12 LEU 87 2HD1 LEU 87 3.843 8.654 10.039 733 HD13 LEU 87 3HD1 LEU 87 2.857 10.069 9.669 734 HD21 LEU 87 3HD2 LEU 87 1.073 10.786 11.152 735 HD22 LEU 87 1HD2 LEU 87 0.659 9.856 12.591 736 HD23 LEU 87 2HD2 LEU 87 0.233 9.242 10.995 737 H LEU 88 H LEU 88 6.027 7.412 12.480 738 HA LEU 88 HA LEU 88 5.877 8.042 15.341 739 HG LEU 88 HG LEU 88 6.873 5.740 15.575 740 HB2 LEU 88 2HB LEU 88 8.287 7.524 13.589 741 HB3 LEU 88 3HB LEU 88 8.338 7.838 15.314 742 HD11 LEU 88 1HD1 LEU 88 6.180 5.513 13.251 743 HD12 LEU 88 2HD1 LEU 88 7.053 4.081 13.792 744 HD13 LEU 88 3HD1 LEU 88 7.858 5.265 12.761 745 HD21 LEU 88 3HD2 LEU 88 9.225 5.830 16.216 746 HD22 LEU 88 1HD2 LEU 88 9.704 5.447 14.561 747 HD23 LEU 88 2HD2 LEU 88 8.815 4.263 15.521 748 H ASP 89 H ASP 89 7.531 9.753 16.071 749 HA ASP 89 HA ASP 89 7.137 12.165 14.424 750 HB2 ASP 89 2HB ASP 89 7.332 13.417 16.488 751 HB3 ASP 89 3HB ASP 89 6.158 12.125 16.720 752 H ALA 90 H ALA 90 8.968 13.870 15.356 753 HA ALA 90 HA ALA 90 11.315 13.287 13.983 754 HB1 ALA 90 3HB ALA 90 10.530 15.550 14.569 755 HB2 ALA 90 1HB ALA 90 12.224 15.291 14.998 756 HB3 ALA 90 2HB ALA 90 10.981 15.255 16.248 757 H HIS 91 H HIS 91 10.443 12.442 17.242 758 HA HIS 91 HA HIS 91 13.232 11.865 17.977 759 HD1 HIS 91 HD1 HIS 91 9.728 14.073 19.247 760 HD2 HIS 91 HD2 HIS 91 13.814 14.318 19.964 761 HE1 HIS 91 HE1 HIS 91 10.238 16.526 19.394 762 HE2 HIS 91 HE2 HIS 91 12.714 16.656 19.819 763 HB2 HIS 91 2HB HIS 91 10.775 11.826 19.748 764 HB3 HIS 91 3HB HIS 91 12.460 11.805 20.265 765 H ASN 92 H ASN 92 11.091 10.202 16.324 766 HA ASN 92 HA ASN 92 10.627 8.002 15.939 767 HB2 ASN 92 2HB ASN 92 13.076 7.563 17.669 768 HB3 ASN 92 3HB ASN 92 12.330 6.342 16.643 769 HD21 ASN 92 1HD2 ASN 92 12.689 6.395 14.451 770 HD22 ASN 92 2HD2 ASN 92 13.818 7.471 13.713 771 H ALA 93 H ALA 93 9.625 9.348 18.511 772 HA ALA 93 HA ALA 93 9.392 7.080 20.351 773 HB1 ALA 93 3HB ALA 93 8.553 9.959 20.702 774 HB2 ALA 93 1HB ALA 93 10.086 9.266 21.229 775 HB3 ALA 93 2HB ALA 93 8.574 8.717 21.955 776 H GLU 94 H GLU 94 7.824 7.512 17.728 777 HA GLU 94 HA GLU 94 5.792 6.942 16.902 778 HB2 GLU 94 2HB GLU 94 5.236 6.031 19.735 779 HB3 GLU 94 3HB GLU 94 4.233 5.660 18.337 780 HG2 GLU 94 2HG GLU 94 6.047 4.412 17.320 781 HG3 GLU 94 3HG GLU 94 7.123 4.848 18.646 782 H LEU 95 H LEU 95 4.389 8.423 16.239 783 HA LEU 95 HA LEU 95 3.585 10.555 18.087 784 HG LEU 95 HG LEU 95 3.503 12.965 15.236 785 HB2 LEU 95 2HB LEU 95 4.697 10.994 15.830 786 HB3 LEU 95 3HB LEU 95 3.197 10.479 15.090 787 HD11 LEU 95 1HD1 LEU 95 1.263 12.003 14.989 788 HD12 LEU 95 2HD1 LEU 95 1.239 13.483 15.946 789 HD13 LEU 95 3HD1 LEU 95 1.107 11.915 16.744 790 HD21 LEU 95 3HD2 LEU 95 4.619 13.063 17.405 791 HD22 LEU 95 1HD2 LEU 95 3.140 12.517 18.199 792 HD23 LEU 95 2HD2 LEU 95 3.179 14.080 17.382 793 H ALA 96 H ALA 96 1.948 8.896 15.351 794 HA ALA 96 HA ALA 96 -0.537 8.930 16.956 795 HB1 ALA 96 3HB ALA 96 -0.377 9.384 13.979 796 HB2 ALA 96 1HB ALA 96 -0.539 10.660 15.186 797 HB3 ALA 96 2HB ALA 96 -1.818 9.463 14.989 798 H SER 97 H SER 97 -2.257 7.459 15.980 799 HA SER 97 HA SER 97 -1.127 4.799 15.915 800 HG SER 97 HG SER 97 -4.156 3.710 15.192 801 HB2 SER 97 2HB SER 97 -3.078 5.208 17.308 802 HB3 SER 97 3HB SER 97 -4.007 5.745 15.910 803 H LEU 98 H LEU 98 -0.106 4.785 13.832 804 HA LEU 98 HA LEU 98 -1.847 4.677 11.493 805 HG LEU 98 HG LEU 98 0.140 3.148 9.637 806 HB2 LEU 98 2HB LEU 98 0.465 5.625 11.355 807 HB3 LEU 98 3HB LEU 98 1.105 4.035 11.735 808 HD11 LEU 98 1HD1 LEU 98 -1.752 4.666 9.414 809 HD12 LEU 98 2HD1 LEU 98 -0.756 4.688 7.960 810 HD13 LEU 98 3HD1 LEU 98 -0.653 6.014 9.118 811 HD21 LEU 98 3HD2 LEU 98 1.893 5.583 9.278 812 HD22 LEU 98 1HD2 LEU 98 1.670 4.293 8.095 813 HD23 LEU 98 2HD2 LEU 98 2.439 3.945 9.643 814 H GLN 99 H GLN 99 -3.008 2.867 11.114 815 HA GLN 99 HA GLN 99 -2.076 0.342 12.324 816 HB2 GLN 99 2HB GLN 99 -4.855 1.182 11.470 817 HB3 GLN 99 3HB GLN 99 -4.443 -0.392 12.139 818 HG2 GLN 99 2HG GLN 99 -3.675 0.715 14.207 819 HG3 GLN 99 3HG GLN 99 -4.181 2.266 13.537 820 HE21 GLN 99 1HE2 GLN 99 -5.251 -0.780 14.820 821 HE22 GLN 99 2HE2 GLN 99 -6.894 -0.320 15.076 822 H GLU 100 H GLU 100 -2.573 -1.681 11.193 823 HA GLU 100 HA GLU 100 -1.511 -1.695 8.579 824 HB2 GLU 100 2HB GLU 100 -1.992 -4.094 8.565 825 HB3 GLU 100 3HB GLU 100 -1.256 -3.604 10.086 826 HG2 GLU 100 2HG GLU 100 -3.300 -3.805 11.259 827 HG3 GLU 100 3HG GLU 100 -4.235 -3.893 9.767 828 H ILE 101 H ILE 101 -2.432 -2.082 6.589 829 HA ILE 101 HA ILE 101 -5.338 -1.568 6.402 830 HB ILE 101 HB ILE 101 -3.213 -0.998 4.321 831 HG12 ILE 101 2HG1 ILE 101 -4.626 0.973 6.145 832 HG13 ILE 101 3HG1 ILE 101 -2.993 0.374 6.418 833 HG21 ILE 101 1HG2 ILE 101 -5.413 -1.359 3.349 834 HG22 ILE 101 2HG2 ILE 101 -4.984 0.348 3.245 835 HG23 ILE 101 3HG2 ILE 101 -6.127 -0.200 4.472 836 HD11 ILE 101 3HD1 ILE 101 -2.281 1.366 4.304 837 HD12 ILE 101 1HD1 ILE 101 -2.962 2.568 5.401 838 HD13 ILE 101 2HD1 ILE 101 -3.916 1.972 4.044 839 H ARG 102 H ARG 102 -6.461 -3.363 5.894 840 HA ARG 102 HA ARG 102 -5.215 -5.407 4.195 841 HE ARG 102 HE ARG 102 -6.846 -6.134 8.143 842 HB2 ARG 102 2HB ARG 102 -6.995 -6.920 4.893 843 HB3 ARG 102 3HB ARG 102 -6.173 -6.242 6.286 844 HG2 ARG 102 2HG ARG 102 -8.749 -5.075 5.275 845 HG3 ARG 102 3HG ARG 102 -8.725 -6.465 6.360 846 HD2 ARG 102 2HD ARG 102 -7.516 -3.751 6.913 847 HD3 ARG 102 3HD ARG 102 -9.010 -4.385 7.606 848 HH11 ARG 102 1HH1 ARG 102 -8.175 -3.107 9.090 849 HH12 ARG 102 2HH1 ARG 102 -7.518 -3.183 10.683 850 HH21 ARG 102 1HH2 ARG 102 -5.995 -6.232 10.185 851 HH22 ARG 102 2HH2 ARG 102 -6.307 -4.952 11.304 852 H LEU 103 H LEU 103 -5.750 -5.665 2.160 853 HA LEU 103 HA LEU 103 -8.270 -4.552 1.110 854 HG LEU 103 HG LEU 103 -5.824 -2.688 1.636 855 HB2 LEU 103 2HB LEU 103 -5.543 -4.376 -0.202 856 HB3 LEU 103 3HB LEU 103 -7.053 -3.806 -0.895 857 HD11 LEU 103 1HD1 LEU 103 -4.385 -2.267 -0.300 858 HD12 LEU 103 2HD1 LEU 103 -5.135 -0.784 0.290 859 HD13 LEU 103 3HD1 LEU 103 -5.753 -1.566 -1.167 860 HD21 LEU 103 3HD2 LEU 103 -8.081 -1.687 -0.109 861 HD22 LEU 103 1HD2 LEU 103 -7.413 -0.853 1.295 862 HD23 LEU 103 2HD2 LEU 103 -8.244 -2.393 1.499 863 H THR 104 H THR 104 -9.156 -5.689 -0.674 864 HA THR 104 HA THR 104 -7.767 -8.158 -1.501 865 HB THR 104 HB THR 104 -9.899 -9.400 -1.519 866 HG1 THR 104 HG1 THR 104 -11.602 -8.300 -0.120 867 HG21 THR 104 3HG2 THR 104 -9.242 -8.209 1.184 868 HG22 THR 104 1HG2 THR 104 -8.453 -9.602 0.444 869 HG23 THR 104 2HG2 THR 104 -10.150 -9.694 0.910 870 H ARG 105 H ARG 105 -7.858 -8.603 -3.651 871 HA ARG 105 HA ARG 105 -9.590 -6.887 -5.324 872 HE ARG 105 HE ARG 105 -8.701 -5.104 -9.329 873 HB2 ARG 105 2HB ARG 105 -7.101 -6.371 -5.380 874 HB3 ARG 105 3HB ARG 105 -6.875 -7.942 -6.136 875 HG2 ARG 105 2HG ARG 105 -6.916 -6.221 -7.823 876 HG3 ARG 105 3HG ARG 105 -8.351 -7.235 -7.986 877 HD2 ARG 105 2HD ARG 105 -9.652 -5.549 -6.735 878 HD3 ARG 105 3HD ARG 105 -8.216 -4.531 -6.646 879 HH11 ARG 105 1HH1 ARG 105 -10.165 -3.393 -6.730 880 HH12 ARG 105 2HH1 ARG 105 -10.936 -2.250 -7.772 881 HH21 ARG 105 1HH2 ARG 105 -9.704 -3.644 -10.667 882 HH22 ARG 105 2HH2 ARG 105 -10.667 -2.385 -9.978 883 H ILE 106 H ILE 106 -10.844 -7.892 -6.828 884 HA ILE 106 HA ILE 106 -10.936 -10.789 -6.787 885 HB ILE 106 HB ILE 106 -12.686 -8.808 -8.260 886 HG12 ILE 106 2HG1 ILE 106 -12.859 -8.601 -5.816 887 HG13 ILE 106 3HG1 ILE 106 -14.338 -9.279 -6.488 888 HG21 ILE 106 1HG2 ILE 106 -12.730 -10.970 -9.369 889 HG22 ILE 106 2HG2 ILE 106 -14.257 -10.692 -8.531 890 HG23 ILE 106 3HG2 ILE 106 -13.054 -11.778 -7.835 891 HD11 ILE 106 3HD1 ILE 106 -13.593 -11.520 -5.808 892 HD12 ILE 106 1HD1 ILE 106 -13.738 -10.411 -4.444 893 HD13 ILE 106 2HD1 ILE 106 -12.147 -10.805 -5.093 894 H LEU 107 H LEU 107 -9.684 -11.947 -8.086 895 HA LEU 107 HA LEU 107 -9.114 -11.014 -10.821 896 HG LEU 107 HG LEU 107 -5.887 -12.930 -10.798 897 HB2 LEU 107 2HB LEU 107 -7.219 -11.672 -9.316 898 HB3 LEU 107 3HB LEU 107 -7.864 -13.295 -9.267 899 HD11 LEU 107 1HD1 LEU 107 -8.377 -13.975 -12.145 900 HD12 LEU 107 2HD1 LEU 107 -7.351 -14.886 -11.038 901 HD13 LEU 107 3HD1 LEU 107 -6.708 -14.341 -12.587 902 HD21 LEU 107 3HD2 LEU 107 -7.926 -11.462 -12.466 903 HD22 LEU 107 1HD2 LEU 107 -6.308 -11.929 -12.988 904 HD23 LEU 107 2HD2 LEU 107 -6.509 -10.758 -11.687 905 HA PRO 108 HA PRO 108 -12.320 -14.051 -11.865 906 HB2 PRO 108 2HB PRO 108 -12.800 -13.210 -14.369 907 HB3 PRO 108 3HB PRO 108 -13.328 -12.276 -12.964 908 HG2 PRO 108 2HG PRO 108 -10.924 -11.868 -14.713 909 HG3 PRO 108 3HG PRO 108 -12.074 -10.667 -14.095 910 HD2 PRO 108 2HD PRO 108 -9.632 -11.151 -12.952 911 HD3 PRO 108 3HD PRO 108 -11.032 -10.532 -12.053 912 H PHE 109 H PHE 109 -12.184 -16.072 -12.732 913 HA PHE 109 HA PHE 109 -9.713 -16.867 -14.010 914 HD1 PHE 109 HD1 PHE 109 -8.453 -19.070 -13.276 915 HD2 PHE 109 HD2 PHE 109 -12.272 -20.332 -14.687 916 HE1 PHE 109 HE1 PHE 109 -7.418 -21.052 -14.307 917 HE2 PHE 109 HE2 PHE 109 -11.240 -22.313 -15.717 918 HZ PHE 109 HZ PHE 109 -8.811 -22.674 -15.530 919 HB2 PHE 109 2HB PHE 109 -10.701 -18.272 -12.259 920 HB3 PHE 109 3HB PHE 109 -12.143 -18.506 -13.243 921 H LEU 110 H LEU 110 -9.795 -15.904 -16.076 922 HA LEU 110 HA LEU 110 -11.720 -17.111 -17.962 923 HG LEU 110 HG LEU 110 -12.949 -14.937 -18.419 924 HB2 LEU 110 2HB LEU 110 -9.937 -14.685 -18.228 925 HB3 LEU 110 3HB LEU 110 -10.782 -15.401 -19.584 926 HD11 LEU 110 1HD1 LEU 110 -12.969 -13.325 -16.578 927 HD12 LEU 110 2HD1 LEU 110 -11.206 -13.383 -16.507 928 HD13 LEU 110 3HD1 LEU 110 -12.152 -14.820 -16.126 929 HD21 LEU 110 3HD2 LEU 110 -12.947 -12.541 -18.915 930 HD22 LEU 110 1HD2 LEU 110 -12.100 -13.454 -20.160 931 HD23 LEU 110 2HD2 LEU 110 -11.185 -12.544 -18.958 932 H ASP 111 H ASP 111 -10.672 -19.160 -18.082 933 HA ASP 111 HA ASP 111 -7.915 -19.518 -18.548 934 HB2 ASP 111 2HB ASP 111 -9.410 -21.297 -17.708 935 HB3 ASP 111 3HB ASP 111 -10.202 -21.368 -19.279 936 H ALA 112 H ALA 112 -10.645 -19.263 -20.786 937 HA ALA 112 HA ALA 112 -9.037 -19.764 -23.127 938 HB1 ALA 112 3HB ALA 112 -11.092 -19.382 -24.371 939 HB2 ALA 112 1HB ALA 112 -11.882 -18.778 -22.914 940 HB3 ALA 112 2HB ALA 112 -11.379 -20.466 -23.012 941 H GLN 113 H GLN 113 -9.090 -17.123 -21.200 942 HA GLN 113 HA GLN 113 -8.381 -15.357 -23.458 943 HB2 GLN 113 2HB GLN 113 -9.958 -14.672 -20.985 944 HB3 GLN 113 3HB GLN 113 -9.110 -13.438 -21.897 945 HG2 GLN 113 2HG GLN 113 -11.217 -15.263 -23.039 946 HG3 GLN 113 3HG GLN 113 -11.507 -13.622 -22.464 947 HE21 GLN 113 1HE2 GLN 113 -11.853 -14.747 -25.129 948 HE22 GLN 113 2HE2 GLN 113 -10.875 -13.790 -26.181 949 H GLU 114 H GLU 114 -6.296 -16.493 -22.877 950 HA GLU 114 HA GLU 114 -4.862 -15.943 -20.537 951 HB2 GLU 114 2HB GLU 114 -2.842 -16.522 -21.803 952 HB3 GLU 114 3HB GLU 114 -4.143 -17.660 -22.112 953 HG2 GLU 114 2HG GLU 114 -3.344 -15.404 -23.949 954 HG3 GLU 114 3HG GLU 114 -2.853 -17.085 -24.131 955 H LEU 115 H LEU 115 -5.044 -14.082 -23.573 956 HA LEU 115 HA LEU 115 -3.192 -12.079 -22.874 957 HG LEU 115 HG LEU 115 -3.809 -11.634 -26.489 958 HB2 LEU 115 2HB LEU 115 -5.461 -12.240 -24.808 959 HB3 LEU 115 3HB LEU 115 -4.792 -10.660 -24.460 960 HD11 LEU 115 1HD1 LEU 115 -2.478 -10.084 -25.135 961 HD12 LEU 115 2HD1 LEU 115 -1.459 -11.284 -25.930 962 HD13 LEU 115 3HD1 LEU 115 -1.830 -11.441 -24.212 963 HD21 LEU 115 3HD2 LEU 115 -2.731 -13.786 -24.663 964 HD22 LEU 115 1HD2 LEU 115 -2.357 -13.585 -26.376 965 HD23 LEU 115 2HD2 LEU 115 -3.994 -14.001 -25.875 966 H ALA 116 H ALA 116 -6.662 -12.347 -22.199 967 HA ALA 116 HA ALA 116 -6.964 -9.770 -21.039 968 HB1 ALA 116 3HB ALA 116 -8.600 -12.256 -20.514 969 HB2 ALA 116 1HB ALA 116 -8.868 -11.116 -21.832 970 HB3 ALA 116 2HB ALA 116 -9.075 -10.594 -20.160 971 H LYS 117 H LYS 117 -6.435 -12.987 -19.580 972 HA LYS 117 HA LYS 117 -6.294 -12.156 -16.897 973 HB2 LYS 117 2HB LYS 117 -5.064 -14.517 -18.312 974 HB3 LYS 117 3HB LYS 117 -4.933 -14.267 -16.575 975 HG2 LYS 117 2HG LYS 117 -7.539 -14.068 -16.693 976 HG3 LYS 117 3HG LYS 117 -7.339 -14.932 -18.217 977 HD2 LYS 117 2HD LYS 117 -7.784 -16.446 -16.318 978 HD3 LYS 117 3HD LYS 117 -6.224 -16.763 -17.079 979 HE2 LYS 117 2HE LYS 117 -6.333 -14.896 -14.745 980 HE3 LYS 117 3HE LYS 117 -6.460 -16.621 -14.452 981 HZ1 LYS 117 3HZ LYS 117 -4.247 -15.360 -15.971 982 HZ2 LYS 117 1HZ LYS 117 -4.349 -16.973 -15.483 983 HZ3 LYS 117 2HZ LYS 117 -4.165 -15.745 -14.333 984 H ALA 118 H ALA 118 -3.736 -12.438 -19.351 985 HA ALA 118 HA ALA 118 -1.519 -11.826 -17.786 986 HB1 ALA 118 3HB ALA 118 -0.449 -11.078 -19.856 987 HB2 ALA 118 1HB ALA 118 -2.019 -11.026 -20.657 988 HB3 ALA 118 2HB ALA 118 -1.357 -12.568 -20.113 989 H ALA 119 H ALA 119 -3.538 -9.555 -19.666 990 HA ALA 119 HA ALA 119 -2.321 -7.193 -18.709 991 HB1 ALA 119 3HB ALA 119 -4.275 -6.036 -19.621 992 HB2 ALA 119 1HB ALA 119 -5.121 -7.576 -19.781 993 HB3 ALA 119 2HB ALA 119 -3.678 -7.258 -20.744 994 H GLU 120 H GLU 120 -5.131 -9.030 -17.543 995 HA GLU 120 HA GLU 120 -6.052 -7.166 -15.644 996 HB2 GLU 120 2HB GLU 120 -7.343 -9.123 -16.486 997 HB3 GLU 120 3HB GLU 120 -6.302 -10.180 -15.547 998 HG2 GLU 120 2HG GLU 120 -8.358 -9.880 -14.369 999 HG3 GLU 120 3HG GLU 120 -7.079 -9.057 -13.482 1000 H GLU 121 H GLU 121 -4.049 -10.105 -15.086 1001 HA GLU 121 HA GLU 121 -3.659 -9.616 -12.334 1002 HB2 GLU 121 2HB GLU 121 -2.055 -11.294 -14.272 1003 HB3 GLU 121 3HB GLU 121 -1.763 -11.266 -12.536 1004 HG2 GLU 121 2HG GLU 121 -4.107 -12.025 -12.188 1005 HG3 GLU 121 3HG GLU 121 -4.273 -12.180 -13.936 1006 H GLU 122 H GLU 122 -1.787 -8.580 -15.157 1007 HA GLU 122 HA GLU 122 0.372 -7.480 -13.640 1008 HB2 GLU 122 2HB GLU 122 -0.566 -7.004 -16.471 1009 HB3 GLU 122 3HB GLU 122 0.846 -6.203 -15.792 1010 HG2 GLU 122 2HG GLU 122 0.503 -9.194 -15.974 1011 HG3 GLU 122 3HG GLU 122 1.376 -8.214 -17.149 1012 H MET 123 H MET 123 -2.648 -6.101 -14.918 1013 HA MET 123 HA MET 123 -2.251 -3.466 -13.991 1014 HB2 MET 123 2HB MET 123 -4.735 -5.091 -14.521 1015 HB3 MET 123 3HB MET 123 -4.836 -3.454 -13.888 1016 HG2 MET 123 2HG MET 123 -3.486 -4.226 -16.470 1017 HG3 MET 123 3HG MET 123 -5.112 -3.561 -16.330 1018 HE1 MET 123 3HE MET 123 -4.365 0.025 -14.872 1019 HE2 MET 123 1HE MET 123 -4.711 -1.444 -13.957 1020 HE3 MET 123 2HE MET 123 -5.624 -1.078 -15.423 1021 H LEU 124 H LEU 124 -3.876 -6.230 -12.421 1022 HA LEU 124 HA LEU 124 -4.459 -4.903 -10.004 1023 HG LEU 124 HG LEU 124 -5.783 -7.208 -11.958 1024 HB2 LEU 124 2HB LEU 124 -4.044 -7.862 -10.443 1025 HB3 LEU 124 3HB LEU 124 -4.871 -7.128 -9.081 1026 HD11 LEU 124 1HD1 LEU 124 -6.218 -9.226 -10.661 1027 HD12 LEU 124 2HD1 LEU 124 -7.713 -8.380 -11.057 1028 HD13 LEU 124 3HD1 LEU 124 -7.041 -8.266 -9.430 1029 HD21 LEU 124 3HD2 LEU 124 -6.275 -4.996 -11.143 1030 HD22 LEU 124 1HD2 LEU 124 -6.957 -5.654 -9.656 1031 HD23 LEU 124 2HD2 LEU 124 -7.764 -5.937 -11.198 1032 H TYR 125 H TYR 125 -1.616 -6.615 -11.105 1033 HA TYR 125 HA TYR 125 -0.123 -6.940 -8.802 1034 HD1 TYR 125 HD2 TYR 125 2.865 -5.077 -9.743 1035 HD2 TYR 125 HD1 TYR 125 1.954 -9.165 -10.539 1036 HE1 TYR 125 HE2 TYR 125 5.110 -5.726 -8.979 1037 HE2 TYR 125 HE1 TYR 125 4.198 -9.817 -9.780 1038 HH TYR 125 HH TYR 125 6.491 -8.645 -9.652 1039 HB2 TYR 125 2HB TYR 125 0.452 -7.538 -11.220 1040 HB3 TYR 125 3HB TYR 125 0.985 -5.878 -11.413 1041 H LYS 126 H LYS 126 -0.371 -4.034 -10.837 1042 HA LYS 126 HA LYS 126 1.095 -2.427 -8.890 1043 HB2 LYS 126 2HB LYS 126 0.919 -0.639 -10.617 1044 HB3 LYS 126 3HB LYS 126 1.687 -2.108 -11.210 1045 HG2 LYS 126 2HG LYS 126 -0.447 -2.772 -12.260 1046 HG3 LYS 126 3HG LYS 126 -1.167 -1.257 -11.714 1047 HD2 LYS 126 2HD LYS 126 1.212 -1.495 -13.567 1048 HD3 LYS 126 3HD LYS 126 -0.445 -1.176 -14.076 1049 HE2 LYS 126 2HE LYS 126 -0.422 0.888 -12.700 1050 HE3 LYS 126 3HE LYS 126 1.274 0.584 -12.326 1051 HZ1 LYS 126 3HZ LYS 126 1.795 0.754 -14.665 1052 HZ2 LYS 126 1HZ LYS 126 1.006 2.156 -14.150 1053 HZ3 LYS 126 2HZ LYS 126 0.168 0.996 -15.050 1054 H ASP 127 H ASP 127 -2.180 -3.089 -9.760 1055 HA ASP 127 HA ASP 127 -3.355 -0.644 -8.877 1056 HB2 ASP 127 2HB ASP 127 -4.470 -2.232 -10.431 1057 HB3 ASP 127 3HB ASP 127 -4.629 -3.381 -9.109 1058 H MET 128 H MET 128 -2.963 -3.840 -7.340 1059 HA MET 128 HA MET 128 -3.997 -3.182 -4.805 1060 HB2 MET 128 2HB MET 128 -1.783 -5.129 -5.518 1061 HB3 MET 128 3HB MET 128 -2.631 -5.085 -3.978 1062 HG2 MET 128 2HG MET 128 -4.696 -5.719 -5.029 1063 HG3 MET 128 3HG MET 128 -3.969 -5.587 -6.630 1064 HE1 MET 128 3HE MET 128 -3.997 -7.593 -3.241 1065 HE2 MET 128 1HE MET 128 -2.306 -7.118 -3.395 1066 HE3 MET 128 2HE MET 128 -2.761 -8.815 -3.549 1067 H GLN 129 H GLN 129 -0.729 -2.922 -6.133 1068 HA GLN 129 HA GLN 129 0.608 -1.849 -3.911 1069 HB2 GLN 129 2HB GLN 129 1.632 -2.706 -6.044 1070 HB3 GLN 129 3HB GLN 129 1.098 -1.237 -6.841 1071 HG2 GLN 129 2HG GLN 129 3.422 -1.044 -6.308 1072 HG3 GLN 129 3HG GLN 129 2.511 0.077 -5.300 1073 HE21 GLN 129 1HE2 GLN 129 4.303 0.129 -3.873 1074 HE22 GLN 129 2HE2 GLN 129 4.580 -1.161 -2.758 1075 H LYS 130 H LYS 130 -1.245 -0.315 -6.491 1076 HA LYS 130 HA LYS 130 -0.848 2.388 -5.837 1077 HB2 LYS 130 2HB LYS 130 -1.785 1.722 -7.971 1078 HB3 LYS 130 3HB LYS 130 -3.165 0.974 -7.181 1079 HG2 LYS 130 2HG LYS 130 -3.549 3.434 -6.277 1080 HG3 LYS 130 3HG LYS 130 -2.591 3.853 -7.699 1081 HD2 LYS 130 2HD LYS 130 -4.934 3.913 -8.284 1082 HD3 LYS 130 3HD LYS 130 -4.177 2.541 -9.098 1083 HE2 LYS 130 2HE LYS 130 -5.028 1.050 -7.310 1084 HE3 LYS 130 3HE LYS 130 -5.830 2.431 -6.565 1085 HZ1 LYS 130 3HZ LYS 130 -7.085 2.687 -8.680 1086 HZ2 LYS 130 1HZ LYS 130 -7.412 1.246 -7.852 1087 HZ3 LYS 130 2HZ LYS 130 -6.409 1.228 -9.208 1088 H ASP 131 H ASP 131 -3.735 0.392 -5.154 1089 HA ASP 131 HA ASP 131 -5.115 2.325 -3.699 1090 HB2 ASP 131 2HB ASP 131 -5.971 0.128 -4.712 1091 HB3 ASP 131 3HB ASP 131 -5.408 -0.647 -3.234 1092 H ALA 132 H ALA 132 -2.933 -0.229 -2.557 1093 HA ALA 132 HA ALA 132 -3.246 0.028 0.189 1094 HB1 ALA 132 3HB ALA 132 -1.027 -0.966 0.393 1095 HB2 ALA 132 1HB ALA 132 -0.699 -0.609 -1.303 1096 HB3 ALA 132 2HB ALA 132 -1.961 -1.764 -0.873 1097 H VAL 133 H VAL 133 -0.802 1.702 -1.843 1098 HA VAL 133 HA VAL 133 0.243 3.213 0.320 1099 HB VAL 133 HB VAL 133 1.534 2.742 -1.731 1100 HG11 VAL 133 1HG1 VAL 133 1.184 4.109 -3.748 1101 HG12 VAL 133 2HG1 VAL 133 -0.293 4.763 -3.037 1102 HG13 VAL 133 3HG1 VAL 133 -0.181 3.043 -3.415 1103 HG21 VAL 133 3HG2 VAL 133 2.597 4.951 -1.919 1104 HG22 VAL 133 1HG2 VAL 133 2.253 4.518 -0.244 1105 HG23 VAL 133 2HG2 VAL 133 1.221 5.676 -1.086 1106 H GLN 134 H GLN 134 -2.381 3.827 -1.953 1107 HA GLN 134 HA GLN 134 -2.768 6.577 -1.391 1108 HB2 GLN 134 2HB GLN 134 -4.820 4.485 -2.169 1109 HB3 GLN 134 3HB GLN 134 -5.094 6.221 -2.188 1110 HG2 GLN 134 2HG GLN 134 -3.109 4.719 -3.893 1111 HG3 GLN 134 3HG GLN 134 -4.664 5.353 -4.423 1112 HE21 GLN 134 1HE2 GLN 134 -1.399 6.132 -3.571 1113 HE22 GLN 134 2HE2 GLN 134 -1.427 7.761 -4.133 1114 H GLN 135 H GLN 135 -4.065 3.641 0.117 1115 HA GLN 135 HA GLN 135 -5.712 4.945 2.015 1116 HB2 GLN 135 2HB GLN 135 -4.457 2.192 2.106 1117 HB3 GLN 135 3HB GLN 135 -5.736 2.752 3.174 1118 HG2 GLN 135 2HG GLN 135 -6.002 2.588 0.176 1119 HG3 GLN 135 3HG GLN 135 -6.498 1.311 1.283 1120 HE21 GLN 135 1HE2 GLN 135 -8.637 1.491 0.563 1121 HE22 GLN 135 2HE2 GLN 135 -9.651 2.798 1.051 1122 H ILE 136 H ILE 136 -2.307 3.982 2.089 1123 HA ILE 136 HA ILE 136 -1.760 4.502 4.798 1124 HB ILE 136 HB ILE 136 0.065 4.946 2.414 1125 HG12 ILE 136 2HG1 ILE 136 -0.221 2.557 4.268 1126 HG13 ILE 136 3HG1 ILE 136 -0.762 2.627 2.595 1127 HG21 ILE 136 1HG2 ILE 136 1.916 4.797 4.009 1128 HG22 ILE 136 2HG2 ILE 136 0.769 4.662 5.343 1129 HG23 ILE 136 3HG2 ILE 136 0.854 6.149 4.397 1130 HD11 ILE 136 3HD1 ILE 136 1.545 2.877 1.852 1131 HD12 ILE 136 1HD1 ILE 136 1.327 1.410 2.805 1132 HD13 ILE 136 2HD1 ILE 136 2.094 2.824 3.528 1133 H LEU 137 H LEU 137 -1.464 6.672 1.982 1134 HA LEU 137 HA LEU 137 -0.794 9.039 3.249 1135 HG LEU 137 HG LEU 137 -2.917 10.868 1.672 1136 HB2 LEU 137 2HB LEU 137 -0.799 8.865 0.852 1137 HB3 LEU 137 3HB LEU 137 -2.524 8.554 0.823 1138 HD11 LEU 137 1HD1 LEU 137 -0.779 11.249 2.773 1139 HD12 LEU 137 2HD1 LEU 137 -1.076 12.492 1.558 1140 HD13 LEU 137 3HD1 LEU 137 0.055 11.182 1.219 1141 HD21 LEU 137 3HD2 LEU 137 -3.061 10.356 -0.721 1142 HD22 LEU 137 1HD2 LEU 137 -1.342 10.705 -0.903 1143 HD23 LEU 137 2HD2 LEU 137 -2.459 11.991 -0.448 1144 H ARG 138 H ARG 138 -4.012 7.657 2.745 1145 HA ARG 138 HA ARG 138 -5.635 9.717 3.595 1146 HE ARG 138 HE ARG 138 -8.149 7.817 1.642 1147 HB2 ARG 138 2HB ARG 138 -6.367 7.518 2.636 1148 HB3 ARG 138 3HB ARG 138 -6.075 6.783 4.206 1149 HG2 ARG 138 2HG ARG 138 -8.401 7.184 4.084 1150 HG3 ARG 138 3HG ARG 138 -7.749 8.424 5.160 1151 HD2 ARG 138 2HD ARG 138 -9.381 9.359 3.585 1152 HD3 ARG 138 3HD ARG 138 -7.775 10.045 3.335 1153 HH11 ARG 138 1HH1 ARG 138 -9.198 11.090 1.988 1154 HH12 ARG 138 2HH1 ARG 138 -9.437 11.292 0.287 1155 HH21 ARG 138 1HH2 ARG 138 -8.473 8.092 -0.510 1156 HH22 ARG 138 2HH2 ARG 138 -9.046 9.610 -1.117 1157 H GLN 139 H GLN 139 -4.171 7.177 5.652 1158 HA GLN 139 HA GLN 139 -5.196 8.210 8.099 1159 HB2 GLN 139 2HB GLN 139 -2.869 6.353 7.554 1160 HB3 GLN 139 3HB GLN 139 -3.461 6.732 9.166 1161 HG2 GLN 139 2HG GLN 139 -5.665 5.789 8.531 1162 HG3 GLN 139 3HG GLN 139 -4.982 5.329 6.971 1163 HE21 GLN 139 1HE2 GLN 139 -3.491 3.620 6.889 1164 HE22 GLN 139 2HE2 GLN 139 -3.277 2.522 8.205 1165 H VAL 140 H VAL 140 -2.023 8.550 6.514 1166 HA VAL 140 HA VAL 140 -0.716 9.979 8.545 1167 HB VAL 140 HB VAL 140 -0.224 10.117 5.556 1168 HG11 VAL 140 1HG1 VAL 140 1.589 10.889 7.851 1169 HG12 VAL 140 2HG1 VAL 140 0.833 11.996 6.703 1170 HG13 VAL 140 3HG1 VAL 140 2.050 10.844 6.149 1171 HG21 VAL 140 3HG2 VAL 140 -0.081 7.834 6.415 1172 HG22 VAL 140 1HG2 VAL 140 1.035 8.362 7.676 1173 HG23 VAL 140 2HG2 VAL 140 1.520 8.434 5.982 1174 H SER 141 H SER 141 -2.963 11.106 6.090 1175 HA SER 141 HA SER 141 -2.432 13.909 6.824 1176 HG SER 141 HG SER 141 -3.725 11.823 3.981 1177 HB2 SER 141 2HB SER 141 -3.852 14.465 4.854 1178 HB3 SER 141 3HB SER 141 -2.454 13.475 4.436 1179 H ALA 142 H ALA 142 -4.261 11.613 8.153 1180 HA ALA 142 HA ALA 142 -6.500 13.472 8.695 1181 HB1 ALA 142 3HB ALA 142 -7.260 11.710 7.197 1182 HB2 ALA 142 1HB ALA 142 -8.046 11.588 8.770 1183 HB3 ALA 142 2HB ALA 142 -6.733 10.485 8.350 1184 H PHE 143 H PHE 143 -3.979 11.763 10.117 1185 HA PHE 143 HA PHE 143 -5.050 10.586 12.383 1186 HD1 PHE 143 HD1 PHE 143 -2.204 12.896 14.327 1187 HD2 PHE 143 HD2 PHE 143 -1.667 12.017 10.194 1188 HE1 PHE 143 HE1 PHE 143 -0.670 14.807 14.123 1189 HE2 PHE 143 HE2 PHE 143 -0.135 13.931 9.985 1190 HZ PHE 143 HZ PHE 143 0.364 15.329 11.952 1191 HB2 PHE 143 2HB PHE 143 -2.863 10.737 13.397 1192 HB3 PHE 143 3HB PHE 143 -2.677 10.394 11.684 1193 H THR 144 H THR 144 -4.499 14.006 11.823 1194 HA THR 144 HA THR 144 -4.969 14.749 14.590 1195 HB THR 144 HB THR 144 -3.431 16.140 13.371 1196 HG1 THR 144 HG1 THR 144 -4.326 18.126 13.854 1197 HG21 THR 144 3HG2 THR 144 -5.694 16.675 11.434 1198 HG22 THR 144 1HG2 THR 144 -4.228 15.754 11.095 1199 HG23 THR 144 2HG2 THR 144 -4.127 17.484 11.423 1200 H SER 145 H SER 145 -6.826 14.619 11.612 1201 HA SER 145 HA SER 145 -9.022 16.201 12.649 1202 HG SER 145 HG SER 145 -8.685 13.568 10.389 1203 HB2 SER 145 2HB SER 145 -10.114 15.597 10.467 1204 HB3 SER 145 3HB SER 145 -8.543 16.378 10.287 1205 H ALA 146 H ALA 146 -10.601 15.438 13.881 1206 HA ALA 146 HA ALA 146 -12.121 14.083 14.886 1207 HB1 ALA 146 3HB ALA 146 -12.813 13.511 12.606 1208 HB2 ALA 146 1HB ALA 146 -12.990 12.140 13.702 1209 HB3 ALA 146 2HB ALA 146 -11.632 12.200 12.576 1210 H GLY 147 H GLY 147 -9.083 13.735 15.207 1211 HA2 GLY 147 2HA GLY 147 -9.192 11.117 16.597 1212 HA3 GLY 147 3HA GLY 147 -7.761 11.675 15.743 1213 H LEU 148 H LEU 148 -9.486 11.689 18.694 1214 HA LEU 148 HA LEU 148 -9.142 12.613 20.757 1215 HG LEU 148 HG LEU 148 -6.240 10.358 21.367 1216 HB2 LEU 148 2HB LEU 148 -6.284 12.335 19.808 1217 HB3 LEU 148 3HB LEU 148 -6.736 12.675 21.466 1218 HD11 LEU 148 1HD1 LEU 148 -9.242 10.659 21.290 1219 HD12 LEU 148 2HD1 LEU 148 -8.204 10.893 22.698 1220 HD13 LEU 148 3HD1 LEU 148 -8.352 9.295 21.968 1221 HD21 LEU 148 3HD2 LEU 148 -8.118 10.123 19.011 1222 HD22 LEU 148 1HD2 LEU 148 -7.244 8.801 19.785 1223 HD23 LEU 148 2HD2 LEU 148 -6.356 10.067 18.939 1224 H GLU 149 H GLU 149 -9.817 14.589 18.935 1225 HA GLU 149 HA GLU 149 -8.003 16.732 18.710 1226 HB2 GLU 149 2HB GLU 149 -11.026 16.838 18.611 1227 HB3 GLU 149 3HB GLU 149 -9.921 18.048 17.967 1228 HG2 GLU 149 2HG GLU 149 -9.074 16.453 16.345 1229 HG3 GLU 149 3HG GLU 149 -10.102 15.190 17.021 1230 H HIS 150 H HIS 150 -10.662 16.205 21.046 1231 HA HIS 150 HA HIS 150 -10.048 18.648 22.465 1232 HD1 HIS 150 HD1 HIS 150 -11.772 16.471 25.772 1233 HD2 HIS 150 HD2 HIS 150 -12.221 20.211 24.020 1234 HE1 HIS 150 HE1 HIS 150 -12.149 18.062 27.672 1235 HE2 HIS 150 HE2 HIS 150 -12.222 20.332 26.604 1236 HB2 HIS 150 2HB HIS 150 -12.361 17.820 22.399 1237 HB3 HIS 150 3HB HIS 150 -11.873 16.355 23.251 1238 H HIS 151 H HIS 151 -8.237 18.786 23.621 1239 HA HIS 151 HA HIS 151 -7.685 16.792 25.667 1240 HD1 HIS 151 HD1 HIS 151 -6.271 16.232 21.541 1241 HD2 HIS 151 HD2 HIS 151 -4.517 19.331 23.684 1242 HE1 HIS 151 HE1 HIS 151 -5.266 17.755 19.821 1243 HE2 HIS 151 HE2 HIS 151 -4.122 19.559 21.141 1244 HB2 HIS 151 2HB HIS 151 -5.214 16.768 24.972 1245 HB3 HIS 151 3HB HIS 151 -6.332 15.820 24.001 1246 H HIS 152 H HIS 152 -6.929 17.674 27.493 1247 HA HIS 152 HA HIS 152 -7.198 20.399 27.938 1248 HD1 HIS 152 HD1 HIS 152 -5.231 16.842 28.383 1249 HD2 HIS 152 HD2 HIS 152 -4.307 19.279 31.617 1250 HE1 HIS 152 HE1 HIS 152 -3.159 15.859 29.392 1251 HE2 HIS 152 HE2 HIS 152 -2.629 17.332 31.361 1252 HB2 HIS 152 2HB HIS 152 -6.453 20.003 30.162 1253 HB3 HIS 152 3HB HIS 152 -7.287 18.541 29.654 1254 H HIS 153 H HIS 153 -5.975 22.076 27.360 1255 HA HIS 153 HA HIS 153 -3.181 21.814 26.693 1256 HD1 HIS 153 HD1 HIS 153 -6.870 23.346 25.703 1257 HD2 HIS 153 HD2 HIS 153 -3.248 23.319 23.667 1258 HE1 HIS 153 HE1 HIS 153 -7.450 22.862 23.315 1259 HE2 HIS 153 HE2 HIS 153 -5.271 23.038 22.077 1260 HB2 HIS 153 2HB HIS 153 -4.855 24.320 27.063 1261 HB3 HIS 153 3HB HIS 153 -3.267 24.238 26.303 1262 H HIS 154 H HIS 154 -4.760 23.948 29.104 1263 HA HIS 154 HA HIS 154 -2.917 22.815 31.121 1264 HD1 HIS 154 HD1 HIS 154 -4.912 25.943 33.279 1265 HD2 HIS 154 HD2 HIS 154 -4.327 26.839 29.268 1266 HE1 HIS 154 HE1 HIS 154 -6.539 27.772 32.758 1267 HE2 HIS 154 HE2 HIS 154 -6.016 28.443 30.395 1268 HB2 HIS 154 2HB HIS 154 -2.790 24.901 32.295 1269 HB3 HIS 154 3HB HIS 154 -2.414 25.240 30.611 1270 H HIS 155 H HIS 155 -6.083 23.681 30.160 1271 HA HIS 155 HA HIS 155 -7.253 21.983 32.165 1272 HD1 HIS 155 HD1 HIS 155 -10.501 24.970 32.076 1273 HD2 HIS 155 HD2 HIS 155 -8.969 22.095 34.653 1274 HE1 HIS 155 HE1 HIS 155 -12.478 24.063 33.320 1275 HE2 HIS 155 HE2 HIS 155 -11.553 22.149 34.664 1276 HB2 HIS 155 2HB HIS 155 -7.222 24.087 33.408 1277 HB3 HIS 155 3HB HIS 155 -7.997 24.926 32.067 Start of MODEL 5 1 HA MET 1 HA MET 1 2.715 26.176 -14.227 2 H1 MET 1 1H MET 1 3.163 25.392 -11.403 3 H2 MET 1 2H MET 1 1.768 26.113 -12.036 4 H3 MET 1 3H MET 1 3.223 26.972 -12.006 5 HB2 MET 1 2HB MET 1 5.101 24.870 -12.897 6 HB3 MET 1 3HB MET 1 4.877 24.972 -14.639 7 HG2 MET 1 2HG MET 1 4.942 27.392 -14.538 8 HG3 MET 1 3HG MET 1 5.078 27.335 -12.780 9 HE1 MET 1 3HE MET 1 7.213 28.847 -12.760 10 HE2 MET 1 1HE MET 1 7.107 29.012 -14.513 11 HE3 MET 1 2HE MET 1 8.637 28.560 -13.763 12 H GLY 2 H GLY 2 2.693 24.311 -15.704 13 HA2 GLY 2 2HA GLY 2 2.222 22.086 -16.253 14 HA3 GLY 2 3HA GLY 2 2.082 21.708 -14.544 15 H PHE 3 H PHE 3 0.097 22.584 -13.441 16 HA PHE 3 HA PHE 3 -2.211 22.621 -15.283 17 HD1 PHE 3 HD1 PHE 3 -3.626 20.295 -15.846 18 HD2 PHE 3 HD2 PHE 3 -0.389 19.498 -13.190 19 HE1 PHE 3 HE1 PHE 3 -3.049 18.291 -17.150 20 HE2 PHE 3 HE2 PHE 3 0.188 17.492 -14.492 21 HZ PHE 3 HZ PHE 3 -1.142 16.887 -16.473 22 HB2 PHE 3 2HB PHE 3 -1.994 21.163 -12.639 23 HB3 PHE 3 3HB PHE 3 -3.481 21.332 -13.569 24 H LYS 4 H LYS 4 -4.053 23.767 -14.616 25 HA LYS 4 HA LYS 4 -3.455 26.214 -13.258 26 HB2 LYS 4 2HB LYS 4 -4.934 26.003 -15.255 27 HB3 LYS 4 3HB LYS 4 -6.117 25.172 -14.255 28 HG2 LYS 4 2HG LYS 4 -6.302 27.204 -12.853 29 HG3 LYS 4 3HG LYS 4 -5.187 28.025 -13.948 30 HD2 LYS 4 2HD LYS 4 -7.908 26.899 -14.650 31 HD3 LYS 4 3HD LYS 4 -7.483 28.605 -14.502 32 HE2 LYS 4 2HE LYS 4 -6.410 26.662 -16.557 33 HE3 LYS 4 3HE LYS 4 -7.579 27.949 -16.846 34 HZ1 LYS 4 3HZ LYS 4 -5.777 29.504 -16.034 35 HZ2 LYS 4 1HZ LYS 4 -5.528 28.790 -17.546 36 HZ3 LYS 4 2HZ LYS 4 -4.705 28.205 -16.192 37 H LEU 5 H LEU 5 -5.006 23.239 -12.333 38 HA LEU 5 HA LEU 5 -6.382 24.395 -10.053 39 HG LEU 5 HG LEU 5 -8.621 21.731 -11.389 40 HB2 LEU 5 2HB LEU 5 -6.157 21.552 -11.051 41 HB3 LEU 5 3HB LEU 5 -7.052 22.003 -9.614 42 HD11 LEU 5 1HD1 LEU 5 -9.050 23.601 -9.876 43 HD12 LEU 5 2HD1 LEU 5 -9.681 23.912 -11.493 44 HD13 LEU 5 3HD1 LEU 5 -8.185 24.686 -10.967 45 HD21 LEU 5 3HD2 LEU 5 -8.518 22.997 -13.490 46 HD22 LEU 5 1HD2 LEU 5 -7.127 21.929 -13.300 47 HD23 LEU 5 2HD2 LEU 5 -6.956 23.660 -13.012 48 H ARG 6 H ARG 6 -6.203 22.560 -8.084 49 HA ARG 6 HA ARG 6 -3.980 23.336 -6.628 50 HE ARG 6 HE ARG 6 -7.539 21.476 -4.045 51 HB2 ARG 6 2HB ARG 6 -4.588 21.550 -5.036 52 HB3 ARG 6 3HB ARG 6 -5.985 22.481 -5.561 53 HG2 ARG 6 2HG ARG 6 -6.599 20.691 -7.113 54 HG3 ARG 6 3HG ARG 6 -5.185 19.766 -6.604 55 HD2 ARG 6 2HD ARG 6 -7.191 18.951 -5.488 56 HD3 ARG 6 3HD ARG 6 -6.072 19.658 -4.326 57 HH11 ARG 6 1HH1 ARG 6 -8.787 19.151 -6.264 58 HH12 ARG 6 2HH1 ARG 6 -10.410 19.723 -6.105 59 HH21 ARG 6 1HH2 ARG 6 -9.623 22.197 -3.865 60 HH22 ARG 6 2HH2 ARG 6 -10.877 21.415 -4.766 61 H GLY 7 H GLY 7 -1.882 22.865 -6.835 62 HA2 GLY 7 2HA GLY 7 -0.849 20.651 -8.293 63 HA3 GLY 7 3HA GLY 7 0.069 21.699 -7.221 64 H GLN 8 H GLN 8 -1.840 21.027 -4.988 65 HA GLN 8 HA GLN 8 -0.919 18.282 -4.394 66 HB2 GLN 8 2HB GLN 8 -0.907 18.953 -1.980 67 HB3 GLN 8 3HB GLN 8 0.303 19.771 -2.957 68 HG2 GLN 8 2HG GLN 8 -2.289 21.169 -2.632 69 HG3 GLN 8 3HG GLN 8 -1.288 21.024 -1.192 70 HE21 GLN 8 1HE2 GLN 8 0.171 21.257 -4.351 71 HE22 GLN 8 2HE2 GLN 8 0.770 22.862 -4.159 72 H VAL 9 H VAL 9 -2.461 16.829 -3.938 73 HA VAL 9 HA VAL 9 -5.218 17.511 -4.158 74 HB VAL 9 HB VAL 9 -4.309 15.336 -4.910 75 HG11 VAL 9 1HG1 VAL 9 -3.826 13.559 -3.311 76 HG12 VAL 9 2HG1 VAL 9 -4.103 14.669 -1.968 77 HG13 VAL 9 3HG1 VAL 9 -2.747 14.931 -3.063 78 HG21 VAL 9 3HG2 VAL 9 -6.164 13.938 -4.095 79 HG22 VAL 9 1HG2 VAL 9 -6.703 15.560 -4.529 80 HG23 VAL 9 2HG2 VAL 9 -6.497 15.124 -2.832 81 H SER 10 H SER 10 -3.154 16.722 -1.392 82 HA SER 10 HA SER 10 -5.100 17.913 0.416 83 HG SER 10 HG SER 10 -4.784 15.240 2.791 84 HB2 SER 10 2HB SER 10 -5.812 15.562 0.412 85 HB3 SER 10 3HB SER 10 -4.169 15.046 0.790 86 H GLU 11 H GLU 11 -4.110 18.976 2.058 87 HA GLU 11 HA GLU 11 -1.187 18.786 2.164 88 HB2 GLU 11 2HB GLU 11 -3.036 20.942 3.203 89 HB3 GLU 11 3HB GLU 11 -1.279 20.983 3.285 90 HG2 GLU 11 2HG GLU 11 -1.236 20.843 0.787 91 HG3 GLU 11 3HG GLU 11 -2.990 21.027 0.806 92 H LEU 12 H LEU 12 -0.114 19.048 4.254 93 HA LEU 12 HA LEU 12 -1.573 17.912 6.526 94 HG LEU 12 HG LEU 12 0.208 16.639 3.771 95 HB2 LEU 12 2HB LEU 12 0.736 16.514 6.748 96 HB3 LEU 12 3HB LEU 12 -0.712 15.897 5.980 97 HD11 LEU 12 1HD1 LEU 12 2.595 17.129 3.592 98 HD12 LEU 12 2HD1 LEU 12 2.727 17.133 5.352 99 HD13 LEU 12 3HD1 LEU 12 1.746 18.353 4.538 100 HD21 LEU 12 3HD2 LEU 12 1.885 14.661 5.318 101 HD22 LEU 12 1HD2 LEU 12 1.798 14.788 3.560 102 HD23 LEU 12 2HD2 LEU 12 0.370 14.317 4.483 103 HA PRO 13 HA PRO 13 0.529 20.926 8.868 104 HB2 PRO 13 2HB PRO 13 0.660 19.832 11.334 105 HB3 PRO 13 3HB PRO 13 -0.872 20.274 10.572 106 HG2 PRO 13 2HG PRO 13 0.438 17.579 10.757 107 HG3 PRO 13 3HG PRO 13 -1.257 18.018 11.046 108 HD2 PRO 13 2HD PRO 13 -0.399 16.926 8.708 109 HD3 PRO 13 3HD PRO 13 -1.760 18.063 8.794 110 H PHE 14 H PHE 14 2.462 19.099 7.466 111 HA PHE 14 HA PHE 14 4.811 19.986 8.872 112 HD1 PHE 14 HD2 PHE 14 5.165 16.178 6.895 113 HD2 PHE 14 HD1 PHE 14 2.642 16.827 10.266 114 HE1 PHE 14 HE2 PHE 14 3.829 14.212 6.273 115 HE2 PHE 14 HE1 PHE 14 1.307 14.857 9.643 116 HZ PHE 14 HZ PHE 14 1.895 13.549 7.647 117 HB2 PHE 14 2HB PHE 14 5.851 17.629 8.792 118 HB3 PHE 14 3HB PHE 14 4.717 17.982 10.086 119 H GLU 15 H GLU 15 6.707 19.983 7.585 120 HA GLU 15 HA GLU 15 6.098 19.828 4.703 121 HB2 GLU 15 2HB GLU 15 7.960 21.553 4.508 122 HB3 GLU 15 3HB GLU 15 6.471 22.082 5.281 123 HG2 GLU 15 2HG GLU 15 7.477 21.849 7.469 124 HG3 GLU 15 3HG GLU 15 8.947 21.198 6.749 125 H ARG 16 H ARG 16 8.196 18.440 7.085 126 HA ARG 16 HA ARG 16 9.714 17.198 4.868 127 HE ARG 16 HE ARG 16 12.968 20.891 7.124 128 HB2 ARG 16 2HB ARG 16 10.817 18.168 7.504 129 HB3 ARG 16 3HB ARG 16 11.638 16.935 6.556 130 HG2 ARG 16 2HG ARG 16 12.718 18.777 5.771 131 HG3 ARG 16 3HG ARG 16 11.379 18.730 4.626 132 HD2 ARG 16 2HD ARG 16 11.419 20.959 5.263 133 HD3 ARG 16 3HD ARG 16 10.190 20.286 6.332 134 HH11 ARG 16 1HH1 ARG 16 9.650 20.464 7.945 135 HH12 ARG 16 2HH1 ARG 16 9.854 21.073 9.544 136 HH21 ARG 16 1HH2 ARG 16 13.217 21.665 9.188 137 HH22 ARG 16 2HH2 ARG 16 11.847 21.738 10.243 138 H VAL 17 H VAL 17 9.559 15.057 4.742 139 HA VAL 17 HA VAL 17 8.815 13.545 7.175 140 HB VAL 17 HB VAL 17 7.688 11.892 5.724 141 HG11 VAL 17 1HG1 VAL 17 6.655 14.709 5.374 142 HG12 VAL 17 2HG1 VAL 17 6.385 13.672 6.775 143 HG13 VAL 17 3HG1 VAL 17 5.710 13.228 5.208 144 HG21 VAL 17 3HG2 VAL 17 8.922 12.270 3.646 145 HG22 VAL 17 1HG2 VAL 17 8.202 13.875 3.497 146 HG23 VAL 17 2HG2 VAL 17 7.185 12.437 3.383 147 H TYR 18 H TYR 18 9.520 11.287 7.226 148 HA TYR 18 HA TYR 18 11.819 10.584 5.558 149 HD1 TYR 18 HD1 TYR 18 14.317 10.070 5.788 150 HD2 TYR 18 HD2 TYR 18 12.941 9.089 9.696 151 HE1 TYR 18 HE1 TYR 18 16.073 8.364 5.974 152 HE2 TYR 18 HE2 TYR 18 14.697 7.377 9.887 153 HH TYR 18 HH TYR 18 17.285 7.141 7.628 154 HB2 TYR 18 2HB TYR 18 12.902 11.710 7.394 155 HB3 TYR 18 3HB TYR 18 11.925 10.846 8.575 156 H ILE 19 H ILE 19 11.624 8.523 4.945 157 HA ILE 19 HA ILE 19 9.751 6.779 6.388 158 HB ILE 19 HB ILE 19 9.317 7.141 4.003 159 HG12 ILE 19 2HG1 ILE 19 10.215 4.300 4.598 160 HG13 ILE 19 3HG1 ILE 19 8.656 4.989 5.037 161 HG21 ILE 19 1HG2 ILE 19 12.014 5.850 3.554 162 HG22 ILE 19 2HG2 ILE 19 11.589 7.532 3.233 163 HG23 ILE 19 3HG2 ILE 19 10.844 6.242 2.292 164 HD11 ILE 19 3HD1 ILE 19 8.115 5.262 2.676 165 HD12 ILE 19 1HD1 ILE 19 8.483 3.583 3.069 166 HD13 ILE 19 2HD1 ILE 19 9.680 4.577 2.236 167 H THR 20 H THR 20 10.267 4.688 7.025 168 HA THR 20 HA THR 20 12.929 3.616 6.457 169 HB THR 20 HB THR 20 13.406 4.614 8.556 170 HG1 THR 20 HG1 THR 20 13.972 2.814 9.717 171 HG21 THR 20 3HG2 THR 20 12.050 4.286 10.567 172 HG22 THR 20 1HG2 THR 20 10.882 3.348 9.636 173 HG23 THR 20 2HG2 THR 20 11.112 5.062 9.291 174 H ALA 21 H ALA 21 13.038 1.396 6.412 175 HA ALA 21 HA ALA 21 10.653 -0.169 7.066 176 HB1 ALA 21 3HB ALA 21 10.562 -1.197 4.844 177 HB2 ALA 21 1HB ALA 21 11.869 -0.148 4.297 178 HB3 ALA 21 2HB ALA 21 10.310 0.546 4.746 179 HA PRO 22 HA PRO 22 13.784 -2.838 8.720 180 HB2 PRO 22 2HB PRO 22 12.344 -5.217 8.600 181 HB3 PRO 22 3HB PRO 22 12.236 -4.023 9.899 182 HG2 PRO 22 2HG PRO 22 10.464 -4.391 7.509 183 HG3 PRO 22 3HG PRO 22 10.015 -4.031 9.187 184 HD2 PRO 22 2HD PRO 22 10.026 -2.107 7.342 185 HD3 PRO 22 3HD PRO 22 10.610 -1.776 8.988 186 H ALA 23 H ALA 23 12.008 -4.407 6.017 187 HA ALA 23 HA ALA 23 14.573 -5.549 5.094 188 HB1 ALA 23 3HB ALA 23 12.907 -7.206 5.755 189 HB2 ALA 23 1HB ALA 23 13.234 -7.298 4.022 190 HB3 ALA 23 2HB ALA 23 11.759 -6.525 4.604 191 H GLY 24 H GLY 24 13.470 -2.832 4.405 192 HA2 GLY 24 2HA GLY 24 13.144 -1.478 2.567 193 HA3 GLY 24 3HA GLY 24 14.139 -2.647 1.711 194 H LEU 25 H LEU 25 10.805 -2.210 2.865 195 HA LEU 25 HA LEU 25 9.782 -4.169 1.021 196 HG LEU 25 HG LEU 25 9.857 -3.830 4.114 197 HB2 LEU 25 2HB LEU 25 8.333 -2.284 2.884 198 HB3 LEU 25 3HB LEU 25 7.626 -3.671 2.070 199 HD11 LEU 25 1HD1 LEU 25 6.910 -4.404 4.429 200 HD12 LEU 25 2HD1 LEU 25 7.804 -3.069 5.159 201 HD13 LEU 25 3HD1 LEU 25 8.160 -4.729 5.633 202 HD21 LEU 25 3HD2 LEU 25 8.198 -5.992 2.806 203 HD22 LEU 25 1HD2 LEU 25 9.353 -6.240 4.116 204 HD23 LEU 25 2HD2 LEU 25 9.915 -5.680 2.542 205 H THR 26 H THR 26 8.866 -3.860 -0.904 206 HA THR 26 HA THR 26 9.242 -1.621 -2.463 207 HB THR 26 HB THR 26 7.565 -2.567 -4.032 208 HG1 THR 26 HG1 THR 26 6.497 -4.504 -3.394 209 HG21 THR 26 3HG2 THR 26 9.855 -3.444 -4.049 210 HG22 THR 26 1HG2 THR 26 8.691 -4.721 -4.406 211 HG23 THR 26 2HG2 THR 26 9.422 -4.617 -2.804 212 H ILE 27 H ILE 27 6.577 -2.222 -0.284 213 HA ILE 27 HA ILE 27 4.606 -0.525 -1.224 214 HB ILE 27 HB ILE 27 4.262 -1.995 0.687 215 HG12 ILE 27 2HG1 ILE 27 3.103 -0.385 2.253 216 HG13 ILE 27 3HG1 ILE 27 3.816 0.938 1.336 217 HG21 ILE 27 1HG2 ILE 27 6.433 -1.810 1.752 218 HG22 ILE 27 2HG2 ILE 27 5.157 -1.452 2.915 219 HG23 ILE 27 3HG2 ILE 27 6.098 -0.140 2.207 220 HD11 ILE 27 3HD1 ILE 27 1.516 0.525 0.684 221 HD12 ILE 27 1HD1 ILE 27 1.921 -1.138 0.259 222 HD13 ILE 27 2HD1 ILE 27 2.619 0.202 -0.653 223 H GLY 28 H GLY 28 7.587 0.314 0.456 224 HA2 GLY 28 2HA GLY 28 6.845 3.008 1.099 225 HA3 GLY 28 3HA GLY 28 8.452 2.318 1.196 226 H SER 29 H SER 29 7.950 1.553 -1.798 227 HA SER 29 HA SER 29 9.506 3.662 -2.868 228 HG SER 29 HG SER 29 8.651 2.513 -6.069 229 HB2 SER 29 2HB SER 29 9.579 1.389 -3.805 230 HB3 SER 29 3HB SER 29 7.911 1.552 -4.358 231 H ASP 30 H ASP 30 6.094 2.808 -3.500 232 HA ASP 30 HA ASP 30 5.573 5.099 -5.112 233 HB2 ASP 30 2HB ASP 30 3.666 3.229 -3.676 234 HB3 ASP 30 3HB ASP 30 3.193 4.421 -4.886 235 H LEU 31 H LEU 31 5.226 4.418 -1.683 236 HA LEU 31 HA LEU 31 3.447 6.363 -0.877 237 HG LEU 31 HG LEU 31 4.992 7.337 1.758 238 HB2 LEU 31 2HB LEU 31 4.301 4.620 0.600 239 HB3 LEU 31 3HB LEU 31 5.892 5.359 0.587 240 HD11 LEU 31 1HD1 LEU 31 2.395 5.794 1.788 241 HD12 LEU 31 2HD1 LEU 31 2.711 7.299 0.924 242 HD13 LEU 31 3HD1 LEU 31 2.716 7.278 2.687 243 HD21 LEU 31 3HD2 LEU 31 5.928 5.489 3.059 244 HD22 LEU 31 1HD2 LEU 31 4.341 4.720 3.125 245 HD23 LEU 31 2HD2 LEU 31 4.606 6.269 3.928 246 H GLU 32 H GLU 32 6.990 6.758 -0.615 247 HA GLU 32 HA GLU 32 6.980 9.456 0.032 248 HB2 GLU 32 2HB GLU 32 9.112 7.964 -1.507 249 HB3 GLU 32 3HB GLU 32 9.338 9.458 -0.606 250 HG2 GLU 32 2HG GLU 32 8.656 6.743 0.506 251 HG3 GLU 32 3HG GLU 32 10.169 7.626 0.698 252 H ARG 33 H ARG 33 6.868 7.957 -3.160 253 HA ARG 33 HA ARG 33 7.263 10.324 -4.669 254 HE ARG 33 HE ARG 33 9.936 6.895 -7.173 255 HB2 ARG 33 2HB ARG 33 5.822 7.758 -5.370 256 HB3 ARG 33 3HB ARG 33 6.166 9.043 -6.523 257 HG2 ARG 33 2HG ARG 33 8.575 8.740 -6.130 258 HG3 ARG 33 3HG ARG 33 8.218 7.435 -4.996 259 HD2 ARG 33 2HD ARG 33 7.126 6.179 -6.807 260 HD3 ARG 33 3HD ARG 33 7.513 7.479 -7.935 261 HH11 ARG 33 1HH1 ARG 33 7.367 4.643 -7.695 262 HH12 ARG 33 2HH1 ARG 33 8.443 3.380 -8.196 263 HH21 ARG 33 1HH2 ARG 33 11.279 5.275 -7.851 264 HH22 ARG 33 2HH2 ARG 33 10.617 3.746 -8.317 265 H VAL 34 H VAL 34 4.303 8.718 -3.492 266 HA VAL 34 HA VAL 34 2.470 10.562 -4.612 267 HB VAL 34 HB VAL 34 2.207 8.761 -2.191 268 HG11 VAL 34 1HG1 VAL 34 0.628 10.602 -1.952 269 HG12 VAL 34 2HG1 VAL 34 -0.233 9.121 -2.371 270 HG13 VAL 34 3HG1 VAL 34 0.053 10.354 -3.601 271 HG21 VAL 34 3HG2 VAL 34 1.194 8.500 -5.030 272 HG22 VAL 34 1HG2 VAL 34 0.869 7.367 -3.719 273 HG23 VAL 34 2HG2 VAL 34 2.517 7.583 -4.308 274 H ILE 35 H ILE 35 4.077 10.475 -1.437 275 HA ILE 35 HA ILE 35 2.791 12.714 -0.312 276 HB ILE 35 HB ILE 35 5.576 11.657 0.252 277 HG12 ILE 35 2HG1 ILE 35 2.935 11.124 1.655 278 HG13 ILE 35 3HG1 ILE 35 3.785 9.991 0.610 279 HG21 ILE 35 1HG2 ILE 35 5.349 13.944 1.058 280 HG22 ILE 35 2HG2 ILE 35 5.380 12.820 2.417 281 HG23 ILE 35 3HG2 ILE 35 3.851 13.526 1.892 282 HD11 ILE 35 3HD1 ILE 35 5.640 9.918 2.188 283 HD12 ILE 35 1HD1 ILE 35 4.118 9.464 2.956 284 HD13 ILE 35 2HD1 ILE 35 4.801 11.067 3.231 285 H SER 36 H SER 36 6.070 12.562 -1.764 286 HA SER 36 HA SER 36 6.544 15.340 -1.475 287 HG SER 36 HG SER 36 8.281 15.998 -2.992 288 HB2 SER 36 2HB SER 36 8.349 13.653 -1.618 289 HB3 SER 36 3HB SER 36 7.957 13.394 -3.318 290 H THR 37 H THR 37 4.525 13.851 -3.706 291 HA THR 37 HA THR 37 4.883 16.042 -5.666 292 HB THR 37 HB THR 37 3.671 14.654 -7.296 293 HG1 THR 37 HG1 THR 37 3.814 12.276 -6.035 294 HG21 THR 37 3HG2 THR 37 5.982 13.174 -6.014 295 HG22 THR 37 1HG2 THR 37 6.118 14.464 -7.208 296 HG23 THR 37 2HG2 THR 37 5.380 12.924 -7.652 297 H HIS 38 H HIS 38 2.396 14.221 -3.859 298 HA HIS 38 HA HIS 38 0.337 16.040 -4.885 299 HD1 HIS 38 HD1 HIS 38 -1.461 14.638 -6.649 300 HD2 HIS 38 HD2 HIS 38 1.169 11.722 -5.284 301 HE1 HIS 38 HE1 HIS 38 -1.026 13.147 -8.617 302 HE2 HIS 38 HE2 HIS 38 0.697 11.504 -7.818 303 HB2 HIS 38 2HB HIS 38 0.068 13.413 -3.411 304 HB3 HIS 38 3HB HIS 38 -1.280 14.383 -3.994 305 H THR 39 H THR 39 2.291 16.143 -2.254 306 HA THR 39 HA THR 39 0.193 17.500 -0.656 307 HB THR 39 HB THR 39 0.999 16.719 1.404 308 HG1 THR 39 HG1 THR 39 3.284 15.602 0.105 309 HG21 THR 39 3HG2 THR 39 -0.220 14.959 0.225 310 HG22 THR 39 1HG2 THR 39 1.037 14.269 1.251 311 HG23 THR 39 2HG2 THR 39 1.286 14.381 -0.492 312 H ARG 40 H ARG 40 1.807 18.522 1.349 313 HA ARG 40 HA ARG 40 3.314 20.590 -0.081 314 HE ARG 40 HE ARG 40 1.123 23.121 0.853 315 HB2 ARG 40 2HB ARG 40 1.529 21.252 1.517 316 HB3 ARG 40 3HB ARG 40 2.399 20.443 2.810 317 HG2 ARG 40 2HG ARG 40 2.845 22.745 3.045 318 HG3 ARG 40 3HG ARG 40 4.309 22.029 2.372 319 HD2 ARG 40 2HD ARG 40 3.867 24.097 1.229 320 HD3 ARG 40 3HD ARG 40 3.568 22.767 0.114 321 HH11 ARG 40 1HH1 ARG 40 3.441 25.657 0.548 322 HH12 ARG 40 2HH1 ARG 40 2.239 26.844 0.179 323 HH21 ARG 40 1HH2 ARG 40 -0.385 24.636 0.351 324 HH22 ARG 40 2HH2 ARG 40 0.102 26.265 0.022 325 H ALA 41 H ALA 41 3.953 17.693 1.482 326 HA ALA 41 HA ALA 41 6.368 18.594 2.876 327 HB1 ALA 41 3HB ALA 41 5.078 15.867 2.882 328 HB2 ALA 41 1HB ALA 41 4.777 17.142 4.063 329 HB3 ALA 41 2HB ALA 41 6.380 16.421 3.937 330 H LYS 42 H LYS 42 8.418 17.856 2.481 331 HA LYS 42 HA LYS 42 8.861 16.260 0.032 332 HB2 LYS 42 2HB LYS 42 9.569 18.708 -0.016 333 HB3 LYS 42 3HB LYS 42 10.761 18.312 1.209 334 HG2 LYS 42 2HG LYS 42 10.698 16.859 -1.419 335 HG3 LYS 42 3HG LYS 42 11.494 18.424 -1.257 336 HD2 LYS 42 2HD LYS 42 12.946 17.513 0.486 337 HD3 LYS 42 3HD LYS 42 12.136 15.951 0.361 338 HE2 LYS 42 2HE LYS 42 12.883 15.775 -1.984 339 HE3 LYS 42 3HE LYS 42 13.722 17.319 -1.819 340 HZ1 LYS 42 3HZ LYS 42 15.226 15.453 -1.541 341 HZ2 LYS 42 1HZ LYS 42 14.306 14.868 -0.248 342 HZ3 LYS 42 2HZ LYS 42 15.119 16.346 -0.117 343 H VAL 43 H VAL 43 10.334 14.560 0.145 344 HA VAL 43 HA VAL 43 10.721 13.456 2.787 345 HB VAL 43 HB VAL 43 11.529 12.306 0.109 346 HG11 VAL 43 1HG1 VAL 43 12.720 11.263 1.952 347 HG12 VAL 43 2HG1 VAL 43 11.528 10.149 1.282 348 HG13 VAL 43 3HG1 VAL 43 11.197 10.983 2.801 349 HG21 VAL 43 3HG2 VAL 43 9.448 11.023 0.229 350 HG22 VAL 43 1HG2 VAL 43 9.129 12.756 0.193 351 HG23 VAL 43 2HG2 VAL 43 9.008 11.866 1.711 352 H VAL 44 H VAL 44 12.529 13.461 3.974 353 HA VAL 44 HA VAL 44 15.103 14.160 2.706 354 HB VAL 44 HB VAL 44 15.936 14.645 4.973 355 HG11 VAL 44 1HG1 VAL 44 14.963 16.456 3.654 356 HG12 VAL 44 2HG1 VAL 44 14.641 16.689 5.372 357 HG13 VAL 44 3HG1 VAL 44 13.365 16.091 4.311 358 HG21 VAL 44 3HG2 VAL 44 14.550 13.099 6.259 359 HG22 VAL 44 1HG2 VAL 44 13.111 14.046 5.874 360 HG23 VAL 44 2HG2 VAL 44 14.382 14.740 6.881 361 H ASN 45 H ASN 45 17.022 12.904 3.314 362 HA ASN 45 HA ASN 45 16.317 10.069 3.466 363 HB2 ASN 45 2HB ASN 45 17.817 11.062 1.665 364 HB3 ASN 45 3HB ASN 45 19.051 11.232 2.909 365 HD21 ASN 45 1HD2 ASN 45 19.970 9.347 3.805 366 HD22 ASN 45 2HD2 ASN 45 19.860 7.824 2.999 367 H LYS 46 H LYS 46 16.963 12.234 5.805 368 HA LYS 46 HA LYS 46 18.265 10.240 7.511 369 HB2 LYS 46 2HB LYS 46 19.944 11.731 8.347 370 HB3 LYS 46 3HB LYS 46 20.065 11.702 6.595 371 HG2 LYS 46 2HG LYS 46 18.660 13.874 8.147 372 HG3 LYS 46 3HG LYS 46 20.349 13.953 7.651 373 HD2 LYS 46 2HD LYS 46 19.647 13.775 5.293 374 HD3 LYS 46 3HD LYS 46 17.959 13.727 5.809 375 HE2 LYS 46 2HE LYS 46 18.589 15.971 5.075 376 HE3 LYS 46 3HE LYS 46 18.189 15.953 6.791 377 HZ1 LYS 46 3HZ LYS 46 20.617 15.815 7.241 378 HZ2 LYS 46 1HZ LYS 46 20.141 17.251 6.483 379 HZ3 LYS 46 2HZ LYS 46 20.897 16.036 5.587 380 H ALA 47 H ALA 47 18.108 10.679 9.813 381 HA ALA 47 HA ALA 47 15.605 12.108 10.429 382 HB1 ALA 47 3HB ALA 47 16.969 9.935 12.019 383 HB2 ALA 47 1HB ALA 47 15.666 9.680 10.859 384 HB3 ALA 47 2HB ALA 47 15.372 10.621 12.321 385 H GLU 48 H GLU 48 18.737 12.930 10.574 386 HA GLU 48 HA GLU 48 19.256 13.709 13.211 387 HB2 GLU 48 2HB GLU 48 20.862 15.277 12.314 388 HB3 GLU 48 3HB GLU 48 20.908 13.812 11.345 389 HG2 GLU 48 2HG GLU 48 19.608 14.880 9.599 390 HG3 GLU 48 3HG GLU 48 19.437 16.331 10.584 391 H LYS 49 H LYS 49 17.515 15.418 10.653 392 HA LYS 49 HA LYS 49 16.055 16.939 12.658 393 HB2 LYS 49 2HB LYS 49 18.157 18.234 11.724 394 HB3 LYS 49 3HB LYS 49 17.147 18.476 10.309 395 HG2 LYS 49 2HG LYS 49 16.408 19.305 13.118 396 HG3 LYS 49 3HG LYS 49 17.097 20.374 11.898 397 HD2 LYS 49 2HD LYS 49 15.139 20.031 10.474 398 HD3 LYS 49 3HD LYS 49 14.461 18.909 11.657 399 HE2 LYS 49 2HE LYS 49 13.428 21.108 11.855 400 HE3 LYS 49 3HE LYS 49 14.345 20.715 13.308 401 HZ1 LYS 49 3HZ LYS 49 14.732 22.985 12.640 402 HZ2 LYS 49 1HZ LYS 49 15.242 22.492 11.105 403 HZ3 LYS 49 2HZ LYS 49 16.156 22.095 12.470 404 H SER 50 H SER 50 14.688 15.126 11.743 405 HA SER 50 HA SER 50 13.363 15.853 9.231 406 HG SER 50 HG SER 50 13.112 12.329 11.243 407 HB2 SER 50 2HB SER 50 12.165 13.702 9.486 408 HB3 SER 50 3HB SER 50 13.912 13.474 9.561 409 H GLU 51 H GLU 51 10.772 14.749 10.067 410 HA GLU 51 HA GLU 51 9.894 16.500 12.212 411 HB2 GLU 51 2HB GLU 51 9.993 17.833 10.048 412 HB3 GLU 51 3HB GLU 51 8.691 16.816 9.462 413 HG2 GLU 51 2HG GLU 51 7.151 17.703 10.968 414 HG3 GLU 51 3HG GLU 51 8.415 18.350 12.019 415 H ALA 52 H ALA 52 8.483 14.680 9.465 416 HA ALA 52 HA ALA 52 7.015 13.019 11.431 417 HB1 ALA 52 3HB ALA 52 5.521 14.383 10.032 418 HB2 ALA 52 1HB ALA 52 5.308 12.659 9.727 419 HB3 ALA 52 2HB ALA 52 6.214 13.652 8.585 420 H ILE 53 H ILE 53 7.642 10.932 11.518 421 HA ILE 53 HA ILE 53 9.223 9.860 9.262 422 HB ILE 53 HB ILE 53 9.454 9.225 12.211 423 HG12 ILE 53 2HG1 ILE 53 11.351 10.554 10.249 424 HG13 ILE 53 3HG1 ILE 53 10.493 11.347 11.566 425 HG21 ILE 53 1HG2 ILE 53 11.310 7.734 11.583 426 HG22 ILE 53 2HG2 ILE 53 10.944 8.004 9.879 427 HG23 ILE 53 3HG2 ILE 53 9.774 7.185 10.914 428 HD11 ILE 53 3HD1 ILE 53 12.631 9.253 11.842 429 HD12 ILE 53 1HD1 ILE 53 11.759 10.004 13.178 430 HD13 ILE 53 2HD1 ILE 53 12.805 10.981 12.146 431 H ILE 54 H ILE 54 8.370 8.224 8.175 432 HA ILE 54 HA ILE 54 6.135 6.713 9.348 433 HB ILE 54 HB ILE 54 7.040 6.905 6.460 434 HG12 ILE 54 2HG1 ILE 54 4.741 7.991 6.195 435 HG13 ILE 54 3HG1 ILE 54 4.691 8.109 7.949 436 HG21 ILE 54 1HG2 ILE 54 4.989 5.648 5.918 437 HG22 ILE 54 2HG2 ILE 54 4.688 5.420 7.641 438 HG23 ILE 54 3HG2 ILE 54 6.115 4.702 6.894 439 HD11 ILE 54 3HD1 ILE 54 5.373 10.202 6.939 440 HD12 ILE 54 1HD1 ILE 54 6.728 9.400 6.144 441 HD13 ILE 54 2HD1 ILE 54 6.685 9.525 7.903 442 H GLN 55 H GLN 55 6.736 4.902 10.361 443 HA GLN 55 HA GLN 55 8.926 3.262 9.258 444 HB2 GLN 55 2HB GLN 55 8.936 4.070 11.702 445 HB3 GLN 55 3HB GLN 55 7.636 2.925 11.976 446 HG2 GLN 55 2HG GLN 55 10.320 2.119 10.872 447 HG3 GLN 55 3HG GLN 55 9.969 2.171 12.595 448 HE21 GLN 55 1HE2 GLN 55 7.227 1.207 12.252 449 HE22 GLN 55 2HE2 GLN 55 7.361 -0.469 11.878 450 H ILE 56 H ILE 56 8.022 1.926 7.748 451 HA ILE 56 HA ILE 56 5.415 0.732 8.224 452 HB ILE 56 HB ILE 56 6.137 1.586 5.969 453 HG12 ILE 56 2HG1 ILE 56 4.261 -0.102 6.370 454 HG13 ILE 56 3HG1 ILE 56 4.905 -0.012 4.737 455 HG21 ILE 56 1HG2 ILE 56 8.416 0.779 5.933 456 HG22 ILE 56 2HG2 ILE 56 7.523 0.157 4.545 457 HG23 ILE 56 3HG2 ILE 56 7.851 -0.892 5.924 458 HD11 ILE 56 3HD1 ILE 56 6.207 -2.033 5.142 459 HD12 ILE 56 1HD1 ILE 56 4.486 -2.303 5.414 460 HD13 ILE 56 2HD1 ILE 56 5.576 -2.114 6.787 461 H VAL 57 H VAL 57 5.044 -1.282 8.977 462 HA VAL 57 HA VAL 57 7.304 -2.673 10.134 463 HB VAL 57 HB VAL 57 4.360 -3.359 10.300 464 HG11 VAL 57 1HG1 VAL 57 6.709 -4.282 11.965 465 HG12 VAL 57 2HG1 VAL 57 5.767 -5.263 10.842 466 HG13 VAL 57 3HG1 VAL 57 5.015 -4.636 12.308 467 HG21 VAL 57 3HG2 VAL 57 4.778 -1.129 11.185 468 HG22 VAL 57 1HG2 VAL 57 6.082 -1.751 12.196 469 HG23 VAL 57 2HG2 VAL 57 4.418 -2.252 12.496 470 H HIS 58 H HIS 58 4.535 -3.795 8.125 471 HA HIS 58 HA HIS 58 6.278 -5.449 6.536 472 HD1 HIS 58 HD1 HIS 58 4.955 -7.501 10.537 473 HD2 HIS 58 HD2 HIS 58 2.256 -6.448 7.556 474 HE1 HIS 58 HE1 HIS 58 2.686 -7.626 11.603 475 HE2 HIS 58 HE2 HIS 58 1.063 -7.092 9.753 476 HB2 HIS 58 2HB HIS 58 5.176 -7.610 7.108 477 HB3 HIS 58 3HB HIS 58 6.115 -6.933 8.431 478 H ALA 59 H ALA 59 5.249 -6.446 4.739 479 HA ALA 59 HA ALA 59 2.457 -5.656 4.219 480 HB1 ALA 59 3HB ALA 59 3.943 -4.024 3.125 481 HB2 ALA 59 1HB ALA 59 3.025 -4.971 1.952 482 HB3 ALA 59 2HB ALA 59 4.725 -5.338 2.247 483 H ILE 60 H ILE 60 1.482 -7.623 4.185 484 HA ILE 60 HA ILE 60 2.812 -9.909 2.925 485 HB ILE 60 HB ILE 60 0.204 -9.777 4.469 486 HG12 ILE 60 2HG1 ILE 60 1.558 -11.204 6.117 487 HG13 ILE 60 3HG1 ILE 60 2.986 -10.701 5.223 488 HG21 ILE 60 1HG2 ILE 60 1.667 -12.188 3.381 489 HG22 ILE 60 2HG2 ILE 60 0.122 -11.556 2.810 490 HG23 ILE 60 3HG2 ILE 60 0.251 -12.234 4.433 491 HD11 ILE 60 3HD1 ILE 60 2.512 -8.377 5.764 492 HD12 ILE 60 1HD1 ILE 60 2.649 -9.364 7.218 493 HD13 ILE 60 2HD1 ILE 60 1.060 -8.871 6.636 494 H ARG 61 H ARG 61 2.257 -10.728 0.971 495 HA ARG 61 HA ARG 61 -0.224 -9.752 -0.316 496 HE ARG 61 HE ARG 61 2.553 -11.136 -4.404 497 HB2 ARG 61 2HB ARG 61 1.864 -8.876 -1.362 498 HB3 ARG 61 3HB ARG 61 2.361 -10.530 -1.693 499 HG2 ARG 61 2HG ARG 61 0.440 -10.842 -3.152 500 HG3 ARG 61 3HG ARG 61 -0.122 -9.211 -2.787 501 HD2 ARG 61 2HD ARG 61 0.988 -9.163 -4.912 502 HD3 ARG 61 3HD ARG 61 2.004 -8.326 -3.743 503 HH11 ARG 61 1HH1 ARG 61 3.555 -7.839 -4.311 504 HH12 ARG 61 2HH1 ARG 61 5.156 -8.201 -4.854 505 HH21 ARG 61 1HH2 ARG 61 4.610 -11.578 -5.112 506 HH22 ARG 61 2HH2 ARG 61 5.741 -10.284 -5.303 507 H GLU 62 H GLU 62 -1.627 -11.421 -0.015 508 HA GLU 62 HA GLU 62 -0.691 -14.167 -0.569 509 HB2 GLU 62 2HB GLU 62 -3.069 -13.179 1.014 510 HB3 GLU 62 3HB GLU 62 -2.771 -14.871 0.653 511 HG2 GLU 62 2HG GLU 62 -0.947 -13.079 2.243 512 HG3 GLU 62 3HG GLU 62 -2.084 -14.242 2.918 513 H LYS 63 H LYS 63 -1.070 -14.708 -2.642 514 HA LYS 63 HA LYS 63 -3.623 -14.000 -3.891 515 HB2 LYS 63 2HB LYS 63 -1.227 -15.469 -5.033 516 HB3 LYS 63 3HB LYS 63 -2.655 -14.984 -5.941 517 HG2 LYS 63 2HG LYS 63 -2.143 -12.619 -5.428 518 HG3 LYS 63 3HG LYS 63 -0.676 -13.137 -4.600 519 HD2 LYS 63 2HD LYS 63 -0.140 -12.385 -6.847 520 HD3 LYS 63 3HD LYS 63 0.144 -14.122 -6.712 521 HE2 LYS 63 2HE LYS 63 -1.972 -14.577 -7.831 522 HE3 LYS 63 3HE LYS 63 -2.329 -12.851 -7.897 523 HZ1 LYS 63 3HZ LYS 63 0.019 -14.108 -9.206 524 HZ2 LYS 63 1HZ LYS 63 -0.516 -12.509 -9.384 525 HZ3 LYS 63 2HZ LYS 63 -1.444 -13.788 -9.992 526 H ARG 64 H ARG 64 -5.189 -15.239 -3.002 527 HA ARG 64 HA ARG 64 -4.701 -18.120 -2.566 528 HE ARG 64 HE ARG 64 -7.275 -15.448 0.739 529 HB2 ARG 64 2HB ARG 64 -6.494 -16.113 -1.200 530 HB3 ARG 64 3HB ARG 64 -6.662 -17.845 -0.944 531 HG2 ARG 64 2HG ARG 64 -4.737 -17.994 0.279 532 HG3 ARG 64 3HG ARG 64 -3.971 -16.635 -0.540 533 HD2 ARG 64 2HD ARG 64 -4.794 -16.416 1.950 534 HD3 ARG 64 3HD ARG 64 -4.961 -15.074 0.822 535 HH11 ARG 64 1HH1 ARG 64 -5.729 -17.694 2.855 536 HH12 ARG 64 2HH1 ARG 64 -7.205 -18.088 3.664 537 HH21 ARG 64 1HH2 ARG 64 -9.133 -15.951 1.802 538 HH22 ARG 64 2HH2 ARG 64 -9.102 -17.124 3.079 539 H ILE 65 H ILE 65 -6.447 -19.630 -2.935 540 HA ILE 65 HA ILE 65 -8.279 -18.921 -5.064 541 HB ILE 65 HB ILE 65 -7.493 -21.462 -3.720 542 HG12 ILE 65 2HG1 ILE 65 -6.552 -20.693 -5.897 543 HG13 ILE 65 3HG1 ILE 65 -7.345 -22.262 -6.010 544 HG21 ILE 65 1HG2 ILE 65 -9.896 -21.571 -3.383 545 HG22 ILE 65 2HG2 ILE 65 -9.419 -22.702 -4.648 546 HG23 ILE 65 3HG2 ILE 65 -10.179 -21.170 -5.078 547 HD11 ILE 65 3HD1 ILE 65 -7.847 -20.809 -7.921 548 HD12 ILE 65 1HD1 ILE 65 -8.581 -19.635 -6.828 549 HD13 ILE 65 2HD1 ILE 65 -9.300 -21.236 -7.016 550 H LEU 66 H LEU 66 -10.240 -18.122 -4.785 551 HA LEU 66 HA LEU 66 -11.464 -18.145 -2.126 552 HG LEU 66 HG LEU 66 -14.129 -16.807 -2.992 553 HB2 LEU 66 2HB LEU 66 -11.230 -16.016 -3.376 554 HB3 LEU 66 3HB LEU 66 -12.272 -16.658 -4.630 555 HD11 LEU 66 1HD1 LEU 66 -12.842 -17.070 -0.952 556 HD12 LEU 66 2HD1 LEU 66 -13.914 -15.675 -0.825 557 HD13 LEU 66 3HD1 LEU 66 -12.191 -15.440 -1.126 558 HD21 LEU 66 3HD2 LEU 66 -13.944 -14.842 -4.411 559 HD22 LEU 66 1HD2 LEU 66 -12.862 -14.076 -3.247 560 HD23 LEU 66 2HD2 LEU 66 -14.543 -14.391 -2.815 561 H SER 67 H SER 67 -12.200 -19.072 -5.476 562 HA SER 67 HA SER 67 -14.335 -20.843 -4.482 563 HG SER 67 HG SER 67 -15.718 -17.680 -5.747 564 HB2 SER 67 2HB SER 67 -14.674 -19.091 -6.930 565 HB3 SER 67 3HB SER 67 -15.880 -20.152 -6.207 566 H LEU 68 H LEU 68 -14.639 -22.729 -5.644 567 HA LEU 68 HA LEU 68 -12.977 -23.130 -8.059 568 HG LEU 68 HG LEU 68 -11.665 -23.859 -5.338 569 HB2 LEU 68 2HB LEU 68 -13.690 -25.120 -5.900 570 HB3 LEU 68 3HB LEU 68 -12.997 -25.579 -7.444 571 HD11 LEU 68 1HD1 LEU 68 -11.809 -26.215 -4.715 572 HD12 LEU 68 2HD1 LEU 68 -10.146 -25.758 -5.085 573 HD13 LEU 68 3HD1 LEU 68 -11.089 -26.681 -6.257 574 HD21 LEU 68 3HD2 LEU 68 -10.996 -23.172 -7.587 575 HD22 LEU 68 1HD2 LEU 68 -10.609 -24.844 -7.996 576 HD23 LEU 68 2HD2 LEU 68 -9.674 -23.998 -6.763 577 H SER 69 H SER 69 -14.107 -23.569 -9.867 578 HA SER 69 HA SER 69 -16.913 -23.686 -9.946 579 HG SER 69 HG SER 69 -16.662 -24.558 -13.435 580 HB2 SER 69 2HB SER 69 -15.546 -23.032 -11.901 581 HB3 SER 69 3HB SER 69 -14.977 -24.693 -12.052 582 H GLU 70 H GLU 70 -18.119 -25.213 -9.101 583 HA GLU 70 HA GLU 70 -18.967 -27.206 -8.444 584 HB2 GLU 70 2HB GLU 70 -17.404 -28.368 -10.762 585 HB3 GLU 70 3HB GLU 70 -18.797 -29.090 -9.968 586 HG2 GLU 70 2HG GLU 70 -18.702 -26.700 -11.782 587 HG3 GLU 70 3HG GLU 70 -19.633 -28.185 -11.963 588 H SER 71 H SER 71 -16.409 -26.313 -7.341 589 HA SER 71 HA SER 71 -14.829 -27.005 -5.856 590 HG SER 71 HG SER 71 -14.462 -29.914 -4.770 591 HB2 SER 71 2HB SER 71 -16.732 -28.227 -4.836 592 HB3 SER 71 3HB SER 71 -16.368 -29.620 -5.852 593 H GLY 72 H GLY 72 -14.596 -27.619 -8.825 594 HA2 GLY 72 2HA GLY 72 -12.343 -29.527 -8.587 595 HA3 GLY 72 3HA GLY 72 -13.495 -29.648 -9.906 596 H ARG 73 H ARG 73 -13.788 -27.202 -10.896 597 HA ARG 73 HA ARG 73 -11.137 -26.604 -11.970 598 HE ARG 73 HE ARG 73 -13.077 -29.848 -14.155 599 HB2 ARG 73 2HB ARG 73 -13.816 -25.444 -12.770 600 HB3 ARG 73 3HB ARG 73 -12.315 -25.353 -13.683 601 HG2 ARG 73 2HG ARG 73 -13.827 -27.892 -13.061 602 HG3 ARG 73 3HG ARG 73 -13.876 -27.020 -14.595 603 HD2 ARG 73 2HD ARG 73 -11.588 -27.491 -15.037 604 HD3 ARG 73 3HD ARG 73 -11.316 -28.067 -13.393 605 HH11 ARG 73 1HH1 ARG 73 -10.594 -28.492 -16.121 606 HH12 ARG 73 2HH1 ARG 73 -10.308 -29.972 -16.970 607 HH21 ARG 73 1HH2 ARG 73 -12.730 -31.722 -15.259 608 HH22 ARG 73 2HH2 ARG 73 -11.529 -31.781 -16.502 609 H VAL 74 H VAL 74 -10.721 -24.162 -12.442 610 HA VAL 74 HA VAL 74 -10.713 -22.823 -9.870 611 HB VAL 74 HB VAL 74 -9.585 -21.898 -12.526 612 HG11 VAL 74 1HG1 VAL 74 -9.926 -20.042 -10.957 613 HG12 VAL 74 2HG1 VAL 74 -8.212 -20.368 -11.199 614 HG13 VAL 74 3HG1 VAL 74 -9.010 -20.912 -9.725 615 HG21 VAL 74 3HG2 VAL 74 -8.229 -23.310 -10.224 616 HG22 VAL 74 1HG2 VAL 74 -7.423 -22.674 -11.658 617 HG23 VAL 74 2HG2 VAL 74 -8.577 -23.998 -11.810 618 H ARG 75 H ARG 75 -11.638 -20.795 -9.377 619 HA ARG 75 HA ARG 75 -13.342 -19.554 -11.432 620 HE ARG 75 HE ARG 75 -16.508 -18.674 -9.093 621 HB2 ARG 75 2HB ARG 75 -14.163 -20.513 -8.743 622 HB3 ARG 75 3HB ARG 75 -14.826 -18.975 -9.272 623 HG2 ARG 75 2HG ARG 75 -15.596 -20.141 -11.367 624 HG3 ARG 75 3HG ARG 75 -15.134 -21.661 -10.594 625 HD2 ARG 75 2HD ARG 75 -17.552 -21.082 -10.348 626 HD3 ARG 75 3HD ARG 75 -16.706 -21.315 -8.816 627 HH11 ARG 75 1HH1 ARG 75 -19.244 -20.709 -9.602 628 HH12 ARG 75 2HH1 ARG 75 -20.365 -19.492 -9.104 629 HH21 ARG 75 1HH2 ARG 75 -17.940 -17.152 -8.448 630 HH22 ARG 75 2HH2 ARG 75 -19.636 -17.492 -8.467 631 H GLU 76 H GLU 76 -13.230 -18.471 -8.089 632 HA GLU 76 HA GLU 76 -12.061 -15.960 -9.058 633 HB2 GLU 76 2HB GLU 76 -13.689 -16.576 -6.586 634 HB3 GLU 76 3HB GLU 76 -12.899 -15.030 -6.858 635 HG2 GLU 76 2HG GLU 76 -15.098 -14.680 -7.535 636 HG3 GLU 76 3HG GLU 76 -14.213 -14.922 -9.038 637 H PHE 77 H PHE 77 -10.117 -15.298 -8.473 638 HA PHE 77 HA PHE 77 -8.642 -16.758 -6.386 639 HD1 PHE 77 HD1 PHE 77 -7.323 -18.419 -8.453 640 HD2 PHE 77 HD2 PHE 77 -5.195 -15.141 -6.763 641 HE1 PHE 77 HE1 PHE 77 -5.432 -19.908 -7.958 642 HE2 PHE 77 HE2 PHE 77 -3.303 -16.633 -6.261 643 HZ PHE 77 HZ PHE 77 -3.421 -19.016 -6.860 644 HB2 PHE 77 2HB PHE 77 -7.912 -16.041 -8.952 645 HB3 PHE 77 3HB PHE 77 -7.186 -14.754 -8.002 646 H GLU 78 H GLU 78 -8.646 -15.820 -4.416 647 HA GLU 78 HA GLU 78 -9.421 -13.062 -4.065 648 HB2 GLU 78 2HB GLU 78 -10.215 -14.823 -2.532 649 HB3 GLU 78 3HB GLU 78 -8.559 -15.123 -2.020 650 HG2 GLU 78 2HG GLU 78 -8.432 -12.828 -1.134 651 HG3 GLU 78 3HG GLU 78 -10.109 -12.566 -1.611 652 H LEU 79 H LEU 79 -7.918 -11.576 -4.569 653 HA LEU 79 HA LEU 79 -5.130 -11.933 -3.760 654 HG LEU 79 HG LEU 79 -6.738 -11.560 -6.648 655 HB2 LEU 79 2HB LEU 79 -6.360 -9.605 -5.244 656 HB3 LEU 79 3HB LEU 79 -4.655 -9.993 -5.109 657 HD11 LEU 79 1HD1 LEU 79 -4.375 -9.934 -7.590 658 HD12 LEU 79 2HD1 LEU 79 -6.075 -9.488 -7.742 659 HD13 LEU 79 3HD1 LEU 79 -5.450 -10.885 -8.616 660 HD21 LEU 79 3HD2 LEU 79 -4.866 -12.964 -7.402 661 HD22 LEU 79 1HD2 LEU 79 -5.118 -13.084 -5.660 662 HD23 LEU 79 2HD2 LEU 79 -3.789 -12.115 -6.293 663 H VAL 80 H VAL 80 -4.978 -11.572 -1.565 664 HA VAL 80 HA VAL 80 -6.128 -9.058 -0.528 665 HB VAL 80 HB VAL 80 -7.052 -10.975 0.618 666 HG11 VAL 80 1HG1 VAL 80 -5.664 -12.509 1.938 667 HG12 VAL 80 2HG1 VAL 80 -4.212 -11.732 1.304 668 HG13 VAL 80 3HG1 VAL 80 -5.294 -12.603 0.215 669 HG21 VAL 80 3HG2 VAL 80 -6.514 -10.387 2.929 670 HG22 VAL 80 1HG2 VAL 80 -6.657 -8.940 1.932 671 HG23 VAL 80 2HG2 VAL 80 -5.063 -9.542 2.391 672 H TYR 81 H TYR 81 -4.890 -7.538 0.358 673 HA TYR 81 HA TYR 81 -1.996 -8.044 0.688 674 HD1 TYR 81 HD2 TYR 81 -0.222 -7.709 -0.446 675 HD2 TYR 81 HD1 TYR 81 -1.640 -3.692 -0.484 676 HE1 TYR 81 HE2 TYR 81 2.092 -6.898 -0.565 677 HE2 TYR 81 HE1 TYR 81 0.676 -2.877 -0.611 678 HH TYR 81 HH TYR 81 2.914 -3.602 -0.126 679 HB2 TYR 81 2HB TYR 81 -2.754 -6.691 -1.371 680 HB3 TYR 81 3HB TYR 81 -3.177 -5.418 -0.238 681 H ARG 82 H ARG 82 -1.165 -7.446 2.626 682 HA ARG 82 HA ARG 82 -2.821 -5.759 4.412 683 HE ARG 82 HE ARG 82 -3.255 -8.369 7.802 684 HB2 ARG 82 2HB ARG 82 -1.227 -8.238 5.113 685 HB3 ARG 82 3HB ARG 82 -1.971 -7.170 6.297 686 HG2 ARG 82 2HG ARG 82 -4.175 -7.717 5.489 687 HG3 ARG 82 3HG ARG 82 -3.493 -8.665 4.162 688 HD2 ARG 82 2HD ARG 82 -4.308 -10.042 6.076 689 HD3 ARG 82 3HD ARG 82 -2.602 -10.284 5.697 690 HH11 ARG 82 1HH1 ARG 82 -2.136 -11.525 6.974 691 HH12 ARG 82 2HH1 ARG 82 -1.405 -11.779 8.516 692 HH21 ARG 82 1HH2 ARG 82 -2.315 -8.702 9.749 693 HH22 ARG 82 2HH2 ARG 82 -1.520 -10.208 10.082 694 H VAL 83 H VAL 83 -1.780 -3.877 4.702 695 HA VAL 83 HA VAL 83 1.165 -3.907 5.011 696 HB VAL 83 HB VAL 83 -0.573 -1.593 4.108 697 HG11 VAL 83 1HG1 VAL 83 2.436 -1.847 4.289 698 HG12 VAL 83 2HG1 VAL 83 1.407 -0.828 5.298 699 HG13 VAL 83 3HG1 VAL 83 1.565 -0.489 3.574 700 HG21 VAL 83 3HG2 VAL 83 0.467 -1.930 1.906 701 HG22 VAL 83 1HG2 VAL 83 -0.474 -3.334 2.408 702 HG23 VAL 83 2HG2 VAL 83 1.286 -3.368 2.517 703 H ALA 84 H ALA 84 1.556 -3.943 7.160 704 HA ALA 84 HA ALA 84 0.062 -2.149 8.947 705 HB1 ALA 84 3HB ALA 84 2.040 -4.335 9.607 706 HB2 ALA 84 1HB ALA 84 0.283 -4.474 9.666 707 HB3 ALA 84 2HB ALA 84 1.119 -3.390 10.778 708 H ALA 85 H ALA 85 0.978 -0.370 9.903 709 HA ALA 85 HA ALA 85 3.868 0.039 9.747 710 HB1 ALA 85 3HB ALA 85 3.667 2.199 8.619 711 HB2 ALA 85 1HB ALA 85 1.925 1.955 8.455 712 HB3 ALA 85 2HB ALA 85 3.050 0.892 7.609 713 H ARG 86 H ARG 86 4.467 2.225 10.718 714 HA ARG 86 HA ARG 86 2.592 3.173 12.765 715 HE ARG 86 HE ARG 86 3.327 1.749 16.441 716 HB2 ARG 86 2HB ARG 86 5.488 2.515 13.375 717 HB3 ARG 86 3HB ARG 86 4.301 3.158 14.501 718 HG2 ARG 86 2HG ARG 86 2.978 1.055 14.185 719 HG3 ARG 86 3HG ARG 86 4.329 0.418 13.246 720 HD2 ARG 86 2HD ARG 86 4.550 -0.401 15.479 721 HD3 ARG 86 3HD ARG 86 5.798 0.822 15.234 722 HH11 ARG 86 1HH1 ARG 86 6.559 0.669 16.951 723 HH12 ARG 86 2HH1 ARG 86 6.623 1.284 18.565 724 HH21 ARG 86 1HH2 ARG 86 3.408 2.524 18.495 725 HH22 ARG 86 2HH2 ARG 86 4.849 2.326 19.433 726 H LEU 87 H LEU 87 2.950 5.370 13.396 727 HA LEU 87 HA LEU 87 4.697 6.850 11.525 728 HG LEU 87 HG LEU 87 3.712 8.540 10.119 729 HB2 LEU 87 2HB LEU 87 2.111 6.880 11.240 730 HB3 LEU 87 3HB LEU 87 2.123 7.957 12.621 731 HD11 LEU 87 1HD1 LEU 87 1.866 9.951 9.381 732 HD12 LEU 87 2HD1 LEU 87 0.892 9.417 10.752 733 HD13 LEU 87 3HD1 LEU 87 1.362 8.262 9.499 734 HD21 LEU 87 3HD2 LEU 87 3.567 10.861 10.927 735 HD22 LEU 87 1HD2 LEU 87 4.379 9.808 12.084 736 HD23 LEU 87 2HD2 LEU 87 2.708 10.299 12.364 737 H LEU 88 H LEU 88 6.375 7.572 12.679 738 HA LEU 88 HA LEU 88 5.959 8.542 15.431 739 HG LEU 88 HG LEU 88 6.846 6.274 16.182 740 HB2 LEU 88 2HB LEU 88 8.506 7.642 14.057 741 HB3 LEU 88 3HB LEU 88 8.410 8.237 15.703 742 HD11 LEU 88 1HD1 LEU 88 6.264 5.701 13.890 743 HD12 LEU 88 2HD1 LEU 88 7.017 4.335 14.708 744 HD13 LEU 88 3HD1 LEU 88 7.945 5.289 13.550 745 HD21 LEU 88 3HD2 LEU 88 8.704 4.689 16.452 746 HD22 LEU 88 1HD2 LEU 88 9.144 6.317 16.969 747 HD23 LEU 88 2HD2 LEU 88 9.710 5.702 15.416 748 H ASP 89 H ASP 89 7.684 10.315 16.038 749 HA ASP 89 HA ASP 89 7.465 12.428 14.004 750 HB2 ASP 89 2HB ASP 89 7.662 14.001 15.750 751 HB3 ASP 89 3HB ASP 89 6.679 12.715 16.441 752 H ALA 90 H ALA 90 9.429 14.131 14.497 753 HA ALA 90 HA ALA 90 11.700 13.221 13.224 754 HB1 ALA 90 3HB ALA 90 11.141 15.586 13.513 755 HB2 ALA 90 1HB ALA 90 12.799 15.252 14.011 756 HB3 ALA 90 2HB ALA 90 11.539 15.475 15.227 757 H HIS 91 H HIS 91 11.043 13.243 16.704 758 HA HIS 91 HA HIS 91 13.751 12.394 17.359 759 HD1 HIS 91 HD1 HIS 91 14.801 14.401 19.196 760 HD2 HIS 91 HD2 HIS 91 10.868 15.514 18.442 761 HE1 HIS 91 HE1 HIS 91 14.838 16.903 18.980 762 HE2 HIS 91 HE2 HIS 91 12.485 17.528 18.347 763 HB2 HIS 91 2HB HIS 91 11.349 12.890 19.127 764 HB3 HIS 91 3HB HIS 91 12.979 12.549 19.700 765 H ASN 92 H ASN 92 11.486 10.664 16.009 766 HA ASN 92 HA ASN 92 11.028 8.440 15.859 767 HB2 ASN 92 2HB ASN 92 13.435 8.213 17.678 768 HB3 ASN 92 3HB ASN 92 12.663 6.847 16.888 769 HD21 ASN 92 1HD2 ASN 92 12.125 8.182 14.415 770 HD22 ASN 92 2HD2 ASN 92 13.641 8.401 13.626 771 H ALA 93 H ALA 93 9.830 10.071 18.083 772 HA ALA 93 HA ALA 93 9.326 8.093 20.158 773 HB1 ALA 93 3HB ALA 93 8.113 10.832 19.752 774 HB2 ALA 93 1HB ALA 93 9.493 10.452 20.783 775 HB3 ALA 93 2HB ALA 93 7.899 9.804 21.170 776 H GLU 94 H GLU 94 7.395 7.015 20.493 777 HA GLU 94 HA GLU 94 5.911 6.322 18.168 778 HB2 GLU 94 2HB GLU 94 5.353 5.707 21.082 779 HB3 GLU 94 3HB GLU 94 4.609 4.901 19.706 780 HG2 GLU 94 2HG GLU 94 6.697 3.936 19.046 781 HG3 GLU 94 3HG GLU 94 7.579 4.900 20.232 782 H LEU 95 H LEU 95 4.791 8.032 17.315 783 HA LEU 95 HA LEU 95 3.089 9.675 19.039 784 HG LEU 95 HG LEU 95 3.473 12.470 16.611 785 HB2 LEU 95 2HB LEU 95 4.745 10.478 17.166 786 HB3 LEU 95 3HB LEU 95 3.429 10.082 16.081 787 HD11 LEU 95 1HD1 LEU 95 1.305 11.458 16.137 788 HD12 LEU 95 2HD1 LEU 95 1.157 12.778 17.297 789 HD13 LEU 95 3HD1 LEU 95 1.087 11.106 17.852 790 HD21 LEU 95 3HD2 LEU 95 4.506 12.351 18.808 791 HD22 LEU 95 1HD2 LEU 95 3.050 11.608 19.473 792 HD23 LEU 95 2HD2 LEU 95 3.002 13.268 18.877 793 H ALA 96 H ALA 96 2.584 8.424 15.728 794 HA ALA 96 HA ALA 96 -0.216 7.837 16.472 795 HB1 ALA 96 3HB ALA 96 0.012 9.686 14.884 796 HB2 ALA 96 1HB ALA 96 -0.815 8.309 14.155 797 HB3 ALA 96 2HB ALA 96 0.878 8.626 13.773 798 H SER 97 H SER 97 -1.072 5.869 16.046 799 HA SER 97 HA SER 97 0.681 3.798 14.932 800 HG SER 97 HG SER 97 -0.635 4.006 17.918 801 HB2 SER 97 2HB SER 97 -2.007 3.565 16.322 802 HB3 SER 97 3HB SER 97 -1.006 2.209 15.800 803 H LEU 98 H LEU 98 0.555 3.347 12.826 804 HA LEU 98 HA LEU 98 -1.829 4.096 11.312 805 HG LEU 98 HG LEU 98 -0.748 2.877 8.515 806 HB2 LEU 98 2HB LEU 98 0.443 4.772 10.548 807 HB3 LEU 98 3HB LEU 98 0.841 3.080 10.320 808 HD11 LEU 98 1HD1 LEU 98 -2.103 4.771 7.752 809 HD12 LEU 98 2HD1 LEU 98 -1.521 5.740 9.108 810 HD13 LEU 98 3HD1 LEU 98 -2.520 4.316 9.403 811 HD21 LEU 98 3HD2 LEU 98 1.458 3.787 7.962 812 HD22 LEU 98 1HD2 LEU 98 0.858 5.425 8.235 813 HD23 LEU 98 2HD2 LEU 98 0.212 4.454 6.908 814 H GLN 99 H GLN 99 -3.372 2.591 11.527 815 HA GLN 99 HA GLN 99 -3.018 -0.083 12.185 816 HB2 GLN 99 2HB GLN 99 -5.394 1.122 10.757 817 HB3 GLN 99 3HB GLN 99 -5.387 -0.372 11.684 818 HG2 GLN 99 2HG GLN 99 -4.980 2.421 12.745 819 HG3 GLN 99 3HG GLN 99 -6.383 1.384 12.992 820 HE21 GLN 99 1HE2 GLN 99 -6.195 -0.389 14.398 821 HE22 GLN 99 2HE2 GLN 99 -4.929 -0.488 15.565 822 H GLU 100 H GLU 100 -3.292 -2.032 11.060 823 HA GLU 100 HA GLU 100 -1.861 -2.188 8.645 824 HB2 GLU 100 2HB GLU 100 -1.918 -3.997 10.301 825 HB3 GLU 100 3HB GLU 100 -3.619 -4.277 9.949 826 HG2 GLU 100 2HG GLU 100 -3.081 -4.988 7.700 827 HG3 GLU 100 3HG GLU 100 -1.381 -4.590 7.950 828 H ILE 101 H ILE 101 -2.562 -1.459 6.767 829 HA ILE 101 HA ILE 101 -5.304 -1.255 6.007 830 HB ILE 101 HB ILE 101 -2.816 -1.024 4.293 831 HG12 ILE 101 2HG1 ILE 101 -4.438 1.153 5.652 832 HG13 ILE 101 3HG1 ILE 101 -2.893 0.541 6.239 833 HG21 ILE 101 1HG2 ILE 101 -4.782 -1.377 2.919 834 HG22 ILE 101 2HG2 ILE 101 -4.266 0.304 2.784 835 HG23 ILE 101 3HG2 ILE 101 -5.656 -0.113 3.788 836 HD11 ILE 101 3HD1 ILE 101 -1.814 1.320 4.195 837 HD12 ILE 101 1HD1 ILE 101 -2.620 2.632 5.052 838 HD13 ILE 101 2HD1 ILE 101 -3.362 1.934 3.613 839 H ARG 102 H ARG 102 -6.542 -2.896 5.391 840 HA ARG 102 HA ARG 102 -5.345 -5.230 4.029 841 HE ARG 102 HE ARG 102 -8.601 -4.645 7.224 842 HB2 ARG 102 2HB ARG 102 -7.962 -5.013 5.537 843 HB3 ARG 102 3HB ARG 102 -7.275 -6.488 4.862 844 HG2 ARG 102 2HG ARG 102 -5.577 -6.579 6.467 845 HG3 ARG 102 3HG ARG 102 -5.764 -4.876 6.895 846 HD2 ARG 102 2HD ARG 102 -7.752 -7.077 7.471 847 HD3 ARG 102 3HD ARG 102 -6.664 -6.331 8.640 848 HH11 ARG 102 1HH1 ARG 102 -7.443 -6.017 10.160 849 HH12 ARG 102 2HH1 ARG 102 -8.522 -5.087 11.142 850 HH21 ARG 102 1HH2 ARG 102 -9.970 -3.454 8.485 851 HH22 ARG 102 2HH2 ARG 102 -9.925 -3.639 10.207 852 H LEU 103 H LEU 103 -5.721 -5.370 1.905 853 HA LEU 103 HA LEU 103 -8.261 -4.303 0.818 854 HG LEU 103 HG LEU 103 -5.699 -2.494 1.110 855 HB2 LEU 103 2HB LEU 103 -5.550 -4.341 -0.527 856 HB3 LEU 103 3HB LEU 103 -7.043 -3.795 -1.268 857 HD11 LEU 103 1HD1 LEU 103 -5.868 -1.606 -1.768 858 HD12 LEU 103 2HD1 LEU 103 -4.423 -2.195 -0.947 859 HD13 LEU 103 3HD1 LEU 103 -5.172 -0.683 -0.438 860 HD21 LEU 103 3HD2 LEU 103 -8.125 -1.664 -0.492 861 HD22 LEU 103 1HD2 LEU 103 -7.336 -0.688 0.746 862 HD23 LEU 103 2HD2 LEU 103 -8.113 -2.207 1.187 863 H THR 104 H THR 104 -9.407 -5.614 -0.578 864 HA THR 104 HA THR 104 -8.149 -8.158 -1.413 865 HB THR 104 HB THR 104 -10.366 -9.294 -1.120 866 HG1 THR 104 HG1 THR 104 -12.037 -8.244 -0.278 867 HG21 THR 104 3HG2 THR 104 -10.195 -9.571 1.295 868 HG22 THR 104 1HG2 THR 104 -9.227 -8.101 1.412 869 HG23 THR 104 2HG2 THR 104 -8.587 -9.513 0.570 870 H ARG 105 H ARG 105 -8.042 -8.242 -3.552 871 HA ARG 105 HA ARG 105 -10.345 -7.273 -5.135 872 HE ARG 105 HE ARG 105 -9.749 -3.453 -4.180 873 HB2 ARG 105 2HB ARG 105 -7.402 -7.188 -5.714 874 HB3 ARG 105 3HB ARG 105 -8.529 -7.315 -7.055 875 HG2 ARG 105 2HG ARG 105 -8.028 -5.012 -6.770 876 HG3 ARG 105 3HG ARG 105 -9.675 -5.262 -6.195 877 HD2 ARG 105 2HD ARG 105 -8.623 -5.480 -3.859 878 HD3 ARG 105 3HD ARG 105 -7.176 -4.781 -4.587 879 HH11 ARG 105 1HH1 ARG 105 -6.525 -3.264 -5.367 880 HH12 ARG 105 2HH1 ARG 105 -6.510 -1.539 -5.369 881 HH21 ARG 105 1HH2 ARG 105 -9.712 -1.236 -4.176 882 HH22 ARG 105 2HH2 ARG 105 -8.286 -0.403 -4.674 883 H ILE 106 H ILE 106 -10.952 -8.536 -7.005 884 HA ILE 106 HA ILE 106 -10.437 -11.406 -6.524 885 HB ILE 106 HB ILE 106 -12.880 -10.094 -7.737 886 HG12 ILE 106 2HG1 ILE 106 -12.731 -9.671 -5.335 887 HG13 ILE 106 3HG1 ILE 106 -14.019 -10.825 -5.662 888 HG21 ILE 106 1HG2 ILE 106 -12.543 -12.288 -8.703 889 HG22 ILE 106 2HG2 ILE 106 -13.897 -12.345 -7.576 890 HG23 ILE 106 3HG2 ILE 106 -12.328 -12.997 -7.102 891 HD11 ILE 106 3HD1 ILE 106 -12.557 -12.652 -4.957 892 HD12 ILE 106 1HD1 ILE 106 -12.751 -11.443 -3.689 893 HD13 ILE 106 2HD1 ILE 106 -11.266 -11.494 -4.636 894 H LEU 107 H LEU 107 -9.340 -12.469 -8.016 895 HA LEU 107 HA LEU 107 -9.195 -11.504 -10.778 896 HG LEU 107 HG LEU 107 -5.956 -13.370 -11.143 897 HB2 LEU 107 2HB LEU 107 -7.168 -12.250 -9.446 898 HB3 LEU 107 3HB LEU 107 -7.797 -13.878 -9.520 899 HD11 LEU 107 1HD1 LEU 107 -6.950 -14.514 -13.042 900 HD12 LEU 107 2HD1 LEU 107 -8.566 -14.196 -12.412 901 HD13 LEU 107 3HD1 LEU 107 -7.467 -15.253 -11.525 902 HD21 LEU 107 3HD2 LEU 107 -6.563 -11.091 -11.705 903 HD22 LEU 107 1HD2 LEU 107 -8.053 -11.652 -12.467 904 HD23 LEU 107 2HD2 LEU 107 -6.489 -12.089 -13.157 905 HA PRO 108 HA PRO 108 -12.533 -14.455 -11.578 906 HB2 PRO 108 2HB PRO 108 -13.246 -13.561 -14.007 907 HB3 PRO 108 3HB PRO 108 -13.589 -12.635 -12.540 908 HG2 PRO 108 2HG PRO 108 -11.388 -12.268 -14.543 909 HG3 PRO 108 3HG PRO 108 -12.402 -11.044 -13.759 910 HD2 PRO 108 2HD PRO 108 -9.850 -11.687 -12.945 911 HD3 PRO 108 3HD PRO 108 -11.084 -10.984 -11.881 912 H PHE 109 H PHE 109 -12.904 -16.294 -12.856 913 HA PHE 109 HA PHE 109 -10.592 -17.541 -13.968 914 HD1 PHE 109 HD1 PHE 109 -10.193 -20.144 -13.872 915 HD2 PHE 109 HD2 PHE 109 -14.002 -19.740 -15.744 916 HE1 PHE 109 HE1 PHE 109 -9.696 -22.085 -15.299 917 HE2 PHE 109 HE2 PHE 109 -13.507 -21.681 -17.171 918 HZ PHE 109 HZ PHE 109 -11.354 -22.855 -16.948 919 HB2 PHE 109 2HB PHE 109 -12.216 -18.895 -12.805 920 HB3 PHE 109 3HB PHE 109 -13.493 -18.397 -13.910 921 H LEU 110 H LEU 110 -9.821 -17.334 -15.945 922 HA LEU 110 HA LEU 110 -11.675 -17.153 -18.226 923 HG LEU 110 HG LEU 110 -11.197 -14.496 -16.863 924 HB2 LEU 110 2HB LEU 110 -9.143 -15.545 -17.830 925 HB3 LEU 110 3HB LEU 110 -9.976 -15.681 -19.369 926 HD11 LEU 110 1HD1 LEU 110 -10.910 -12.329 -17.955 927 HD12 LEU 110 2HD1 LEU 110 -10.068 -13.107 -19.297 928 HD13 LEU 110 3HD1 LEU 110 -9.353 -13.114 -17.685 929 HD21 LEU 110 3HD2 LEU 110 -12.855 -15.445 -18.379 930 HD22 LEU 110 1HD2 LEU 110 -12.164 -14.542 -19.727 931 HD23 LEU 110 2HD2 LEU 110 -12.936 -13.682 -18.392 932 H ASP 111 H ASP 111 -10.867 -18.115 -20.181 933 HA ASP 111 HA ASP 111 -8.515 -19.858 -19.813 934 HB2 ASP 111 2HB ASP 111 -10.473 -21.232 -19.481 935 HB3 ASP 111 3HB ASP 111 -11.213 -20.619 -20.955 936 H ALA 112 H ALA 112 -7.147 -20.055 -21.507 937 HA ALA 112 HA ALA 112 -6.209 -19.897 -23.569 938 HB1 ALA 112 3HB ALA 112 -8.295 -20.770 -24.491 939 HB2 ALA 112 1HB ALA 112 -7.566 -19.580 -25.570 940 HB3 ALA 112 2HB ALA 112 -8.953 -19.136 -24.572 941 H GLN 113 H GLN 113 -8.507 -17.194 -23.108 942 HA GLN 113 HA GLN 113 -7.268 -15.255 -24.628 943 HB2 GLN 113 2HB GLN 113 -8.757 -14.896 -22.015 944 HB3 GLN 113 3HB GLN 113 -8.410 -13.608 -23.157 945 HG2 GLN 113 2HG GLN 113 -10.021 -16.039 -23.891 946 HG3 GLN 113 3HG GLN 113 -10.740 -14.586 -23.202 947 HE21 GLN 113 1HE2 GLN 113 -11.952 -14.157 -25.000 948 HE22 GLN 113 2HE2 GLN 113 -11.266 -13.605 -26.488 949 H GLU 114 H GLU 114 -4.969 -15.305 -24.422 950 HA GLU 114 HA GLU 114 -3.604 -15.107 -21.962 951 HB2 GLU 114 2HB GLU 114 -1.617 -14.485 -23.294 952 HB3 GLU 114 3HB GLU 114 -2.439 -15.903 -23.926 953 HG2 GLU 114 2HG GLU 114 -3.311 -14.710 -25.764 954 HG3 GLU 114 3HG GLU 114 -2.907 -13.155 -25.046 955 H LEU 115 H LEU 115 -4.531 -12.550 -24.294 956 HA LEU 115 HA LEU 115 -3.345 -10.385 -22.964 957 HG LEU 115 HG LEU 115 -4.428 -9.014 -26.222 958 HB2 LEU 115 2HB LEU 115 -5.679 -10.614 -24.828 959 HB3 LEU 115 3HB LEU 115 -5.393 -9.089 -24.017 960 HD11 LEU 115 1HD1 LEU 115 -2.116 -8.437 -25.683 961 HD12 LEU 115 2HD1 LEU 115 -2.266 -9.263 -24.132 962 HD13 LEU 115 3HD1 LEU 115 -3.235 -7.828 -24.464 963 HD21 LEU 115 3HD2 LEU 115 -2.762 -11.406 -25.446 964 HD22 LEU 115 1HD2 LEU 115 -2.668 -10.509 -26.962 965 HD23 LEU 115 2HD2 LEU 115 -4.122 -11.427 -26.569 966 H ALA 116 H ALA 116 -6.660 -11.664 -22.628 967 HA ALA 116 HA ALA 116 -7.497 -9.861 -20.632 968 HB1 ALA 116 3HB ALA 116 -8.496 -12.675 -21.093 969 HB2 ALA 116 1HB ALA 116 -9.033 -11.246 -21.980 970 HB3 ALA 116 2HB ALA 116 -9.343 -11.379 -20.248 971 H LYS 117 H LYS 117 -6.440 -13.272 -20.246 972 HA LYS 117 HA LYS 117 -6.550 -13.442 -17.478 973 HB2 LYS 117 2HB LYS 117 -4.650 -14.811 -19.380 974 HB3 LYS 117 3HB LYS 117 -4.844 -15.246 -17.686 975 HG2 LYS 117 2HG LYS 117 -7.360 -15.482 -18.295 976 HG3 LYS 117 3HG LYS 117 -6.768 -15.573 -19.953 977 HD2 LYS 117 2HD LYS 117 -7.021 -17.803 -19.071 978 HD3 LYS 117 3HD LYS 117 -5.303 -17.458 -19.288 979 HE2 LYS 117 2HE LYS 117 -6.614 -16.956 -16.640 980 HE3 LYS 117 3HE LYS 117 -6.138 -18.581 -17.089 981 HZ1 LYS 117 3HZ LYS 117 -4.345 -17.681 -15.900 982 HZ2 LYS 117 1HZ LYS 117 -4.402 -16.215 -16.741 983 HZ3 LYS 117 2HZ LYS 117 -3.869 -17.617 -17.520 984 H ALA 118 H ALA 118 -3.909 -12.188 -19.486 985 HA ALA 118 HA ALA 118 -2.119 -11.750 -17.288 986 HB1 ALA 118 3HB ALA 118 -0.770 -10.501 -18.909 987 HB2 ALA 118 1HB ALA 118 -2.093 -10.579 -20.074 988 HB3 ALA 118 2HB ALA 118 -1.281 -12.058 -19.557 989 H ALA 119 H ALA 119 -4.213 -9.593 -19.219 990 HA ALA 119 HA ALA 119 -3.478 -7.166 -18.047 991 HB1 ALA 119 3HB ALA 119 -5.508 -6.259 -19.009 992 HB2 ALA 119 1HB ALA 119 -6.169 -7.884 -19.208 993 HB3 ALA 119 2HB ALA 119 -4.757 -7.385 -20.138 994 H GLU 120 H GLU 120 -6.066 -9.417 -17.091 995 HA GLU 120 HA GLU 120 -7.322 -7.879 -15.138 996 HB2 GLU 120 2HB GLU 120 -6.885 -10.879 -15.128 997 HB3 GLU 120 3HB GLU 120 -8.065 -10.023 -14.150 998 HG2 GLU 120 2HG GLU 120 -8.042 -10.141 -17.160 999 HG3 GLU 120 3HG GLU 120 -9.067 -11.106 -16.105 1000 H GLU 121 H GLU 121 -4.809 -10.359 -14.559 1001 HA GLU 121 HA GLU 121 -4.409 -9.793 -11.829 1002 HB2 GLU 121 2HB GLU 121 -3.638 -11.803 -13.344 1003 HB3 GLU 121 3HB GLU 121 -2.200 -10.830 -13.598 1004 HG2 GLU 121 2HG GLU 121 -3.184 -11.580 -10.857 1005 HG3 GLU 121 3HG GLU 121 -2.110 -12.609 -11.794 1006 H GLU 122 H GLU 122 -2.666 -8.699 -14.714 1007 HA GLU 122 HA GLU 122 -0.653 -7.150 -13.664 1008 HB2 GLU 122 2HB GLU 122 -0.796 -7.579 -16.015 1009 HB3 GLU 122 3HB GLU 122 -2.351 -6.776 -16.132 1010 HG2 GLU 122 2HG GLU 122 -0.761 -5.338 -17.109 1011 HG3 GLU 122 3HG GLU 122 -1.196 -4.632 -15.558 1012 H MET 123 H MET 123 -3.967 -5.995 -14.449 1013 HA MET 123 HA MET 123 -3.445 -3.351 -13.509 1014 HB2 MET 123 2HB MET 123 -5.810 -2.912 -13.847 1015 HB3 MET 123 3HB MET 123 -5.159 -3.800 -15.215 1016 HG2 MET 123 2HG MET 123 -6.180 -5.835 -14.450 1017 HG3 MET 123 3HG MET 123 -6.709 -5.057 -12.960 1018 HE1 MET 123 3HE MET 123 -9.347 -2.473 -14.310 1019 HE2 MET 123 1HE MET 123 -7.625 -2.200 -14.049 1020 HE3 MET 123 2HE MET 123 -8.557 -3.126 -12.872 1021 H LEU 124 H LEU 124 -4.960 -6.194 -12.015 1022 HA LEU 124 HA LEU 124 -6.022 -4.856 -9.755 1023 HG LEU 124 HG LEU 124 -7.143 -7.058 -11.560 1024 HB2 LEU 124 2HB LEU 124 -5.239 -7.745 -10.147 1025 HB3 LEU 124 3HB LEU 124 -6.081 -7.149 -8.729 1026 HD11 LEU 124 1HD1 LEU 124 -7.078 -9.330 -10.698 1027 HD12 LEU 124 2HD1 LEU 124 -8.741 -8.751 -10.787 1028 HD13 LEU 124 3HD1 LEU 124 -7.913 -8.818 -9.231 1029 HD21 LEU 124 3HD2 LEU 124 -7.967 -5.181 -10.256 1030 HD22 LEU 124 1HD2 LEU 124 -8.438 -6.265 -8.946 1031 HD23 LEU 124 2HD2 LEU 124 -9.256 -6.358 -10.506 1032 H TYR 125 H TYR 125 -2.927 -6.540 -10.243 1033 HA TYR 125 HA TYR 125 -1.931 -6.426 -7.650 1034 HD1 TYR 125 HD2 TYR 125 0.225 -7.407 -6.798 1035 HD2 TYR 125 HD1 TYR 125 1.646 -5.438 -10.298 1036 HE1 TYR 125 HE2 TYR 125 2.409 -7.064 -5.718 1037 HE2 TYR 125 HE1 TYR 125 3.828 -5.091 -9.223 1038 HH TYR 125 HH TYR 125 4.848 -5.019 -7.120 1039 HB2 TYR 125 2HB TYR 125 -0.780 -7.715 -9.307 1040 HB3 TYR 125 3HB TYR 125 -0.505 -6.296 -10.312 1041 H LYS 126 H LYS 126 -1.392 -4.018 -10.250 1042 HA LYS 126 HA LYS 126 -0.036 -2.235 -8.452 1043 HB2 LYS 126 2HB LYS 126 0.011 -0.667 -10.355 1044 HB3 LYS 126 3HB LYS 126 0.620 -2.263 -10.765 1045 HG2 LYS 126 2HG LYS 126 -1.623 -2.771 -11.762 1046 HG3 LYS 126 3HG LYS 126 -2.048 -1.077 -11.501 1047 HD2 LYS 126 2HD LYS 126 -1.278 -1.382 -13.783 1048 HD3 LYS 126 3HD LYS 126 -0.112 -0.404 -12.891 1049 HE2 LYS 126 2HE LYS 126 1.238 -2.469 -12.512 1050 HE3 LYS 126 3HE LYS 126 0.111 -3.346 -13.546 1051 HZ1 LYS 126 3HZ LYS 126 1.966 -1.167 -14.303 1052 HZ2 LYS 126 1HZ LYS 126 0.684 -1.649 -15.298 1053 HZ3 LYS 126 2HZ LYS 126 1.903 -2.748 -14.903 1054 H ASP 127 H ASP 127 -3.369 -2.499 -9.593 1055 HA ASP 127 HA ASP 127 -4.291 -0.003 -8.603 1056 HB2 ASP 127 2HB ASP 127 -5.596 -1.448 -10.152 1057 HB3 ASP 127 3HB ASP 127 -5.818 -2.615 -8.854 1058 H MET 128 H MET 128 -3.628 -3.085 -7.126 1059 HA MET 128 HA MET 128 -4.837 -2.628 -4.600 1060 HB2 MET 128 2HB MET 128 -4.188 -4.847 -5.504 1061 HB3 MET 128 3HB MET 128 -2.496 -4.411 -5.316 1062 HG2 MET 128 2HG MET 128 -2.724 -4.339 -2.927 1063 HG3 MET 128 3HG MET 128 -4.470 -4.572 -3.048 1064 HE1 MET 128 3HE MET 128 -0.929 -6.262 -3.606 1065 HE2 MET 128 1HE MET 128 -1.689 -6.294 -5.198 1066 HE3 MET 128 2HE MET 128 -1.417 -7.798 -4.320 1067 H GLN 129 H GLN 129 -1.430 -2.347 -5.665 1068 HA GLN 129 HA GLN 129 -0.397 -1.161 -3.335 1069 HB2 GLN 129 2HB GLN 129 1.104 -2.031 -5.003 1070 HB3 GLN 129 3HB GLN 129 0.460 -0.950 -6.230 1071 HG2 GLN 129 2HG GLN 129 2.633 -0.188 -5.500 1072 HG3 GLN 129 3HG GLN 129 1.395 0.971 -5.026 1073 HE21 GLN 129 1HE2 GLN 129 2.662 1.847 -3.412 1074 HE22 GLN 129 2HE2 GLN 129 3.013 1.013 -1.946 1075 H LYS 130 H LYS 130 -1.725 0.334 -6.265 1076 HA LYS 130 HA LYS 130 -1.357 3.026 -5.646 1077 HB2 LYS 130 2HB LYS 130 -2.041 2.248 -7.854 1078 HB3 LYS 130 3HB LYS 130 -3.577 1.688 -7.208 1079 HG2 LYS 130 2HG LYS 130 -4.117 4.062 -6.628 1080 HG3 LYS 130 3HG LYS 130 -2.643 4.541 -7.475 1081 HD2 LYS 130 2HD LYS 130 -4.606 4.766 -8.923 1082 HD3 LYS 130 3HD LYS 130 -3.497 3.539 -9.544 1083 HE2 LYS 130 2HE LYS 130 -4.901 1.786 -8.517 1084 HE3 LYS 130 3HE LYS 130 -6.021 3.027 -7.956 1085 HZ1 LYS 130 3HZ LYS 130 -6.761 1.947 -9.998 1086 HZ2 LYS 130 1HZ LYS 130 -5.371 2.479 -10.799 1087 HZ3 LYS 130 2HZ LYS 130 -6.500 3.601 -10.232 1088 H ASP 131 H ASP 131 -4.158 0.931 -4.922 1089 HA ASP 131 HA ASP 131 -5.704 2.879 -3.599 1090 HB2 ASP 131 2HB ASP 131 -6.335 0.487 -4.432 1091 HB3 ASP 131 3HB ASP 131 -5.767 -0.045 -2.856 1092 H ALA 132 H ALA 132 -3.432 0.445 -2.334 1093 HA ALA 132 HA ALA 132 -3.713 0.896 0.390 1094 HB1 ALA 132 3HB ALA 132 -2.502 -1.004 -0.525 1095 HB2 ALA 132 1HB ALA 132 -1.498 -0.129 0.631 1096 HB3 ALA 132 2HB ALA 132 -1.224 0.066 -1.102 1097 H VAL 133 H VAL 133 -1.347 2.458 -1.818 1098 HA VAL 133 HA VAL 133 -0.090 3.992 0.184 1099 HB VAL 133 HB VAL 133 0.939 3.612 -2.011 1100 HG11 VAL 133 1HG1 VAL 133 0.250 4.925 -3.972 1101 HG12 VAL 133 2HG1 VAL 133 -1.137 5.533 -3.070 1102 HG13 VAL 133 3HG1 VAL 133 -1.015 3.815 -3.443 1103 HG21 VAL 133 3HG2 VAL 133 1.868 5.856 -2.333 1104 HG22 VAL 133 1HG2 VAL 133 1.729 5.460 -0.619 1105 HG23 VAL 133 2HG2 VAL 133 0.557 6.542 -1.373 1106 H GLN 134 H GLN 134 -2.922 4.693 -1.825 1107 HA GLN 134 HA GLN 134 -3.239 7.392 -0.971 1108 HB2 GLN 134 2HB GLN 134 -5.191 5.412 -2.169 1109 HB3 GLN 134 3HB GLN 134 -5.624 7.077 -1.795 1110 HG2 GLN 134 2HG GLN 134 -3.407 6.258 -3.672 1111 HG3 GLN 134 3HG GLN 134 -5.034 6.717 -4.172 1112 HE21 GLN 134 1HE2 GLN 134 -2.434 7.950 -4.772 1113 HE22 GLN 134 2HE2 GLN 134 -2.575 9.591 -4.262 1114 H GLN 135 H GLN 135 -4.385 4.305 0.291 1115 HA GLN 135 HA GLN 135 -6.074 5.279 2.329 1116 HB2 GLN 135 2HB GLN 135 -4.356 2.779 2.354 1117 HB3 GLN 135 3HB GLN 135 -5.743 3.085 3.391 1118 HG2 GLN 135 2HG GLN 135 -5.957 2.999 0.393 1119 HG3 GLN 135 3HG GLN 135 -6.093 1.557 1.394 1120 HE21 GLN 135 1HE2 GLN 135 -8.195 1.308 0.554 1121 HE22 GLN 135 2HE2 GLN 135 -9.514 2.240 1.165 1122 H ILE 136 H ILE 136 -2.592 4.552 2.316 1123 HA ILE 136 HA ILE 136 -1.979 5.287 4.952 1124 HB ILE 136 HB ILE 136 -0.237 5.653 2.493 1125 HG12 ILE 136 2HG1 ILE 136 -0.393 3.321 4.426 1126 HG13 ILE 136 3HG1 ILE 136 -1.027 3.321 2.784 1127 HG21 ILE 136 1HG2 ILE 136 1.649 5.548 4.073 1128 HG22 ILE 136 2HG2 ILE 136 0.509 5.497 5.418 1129 HG23 ILE 136 3HG2 ILE 136 0.596 6.929 4.390 1130 HD11 ILE 136 3HD1 ILE 136 1.235 3.605 1.912 1131 HD12 ILE 136 1HD1 ILE 136 1.098 2.158 2.909 1132 HD13 ILE 136 2HD1 ILE 136 1.871 3.604 3.558 1133 H LEU 137 H LEU 137 -1.637 7.269 1.995 1134 HA LEU 137 HA LEU 137 -1.040 9.715 3.125 1135 HG LEU 137 HG LEU 137 -3.114 11.416 1.281 1136 HB2 LEU 137 2HB LEU 137 -0.924 9.391 0.749 1137 HB3 LEU 137 3HB LEU 137 -2.643 9.059 0.652 1138 HD11 LEU 137 1HD1 LEU 137 -1.079 11.884 2.538 1139 HD12 LEU 137 2HD1 LEU 137 -1.310 13.063 1.248 1140 HD13 LEU 137 3HD1 LEU 137 -0.123 11.771 1.059 1141 HD21 LEU 137 3HD2 LEU 137 -1.313 11.107 -1.130 1142 HD22 LEU 137 1HD2 LEU 137 -2.475 12.407 -0.860 1143 HD23 LEU 137 2HD2 LEU 137 -3.039 10.751 -1.079 1144 H ARG 138 H ARG 138 -4.245 8.315 2.569 1145 HA ARG 138 HA ARG 138 -5.887 10.438 3.229 1146 HE ARG 138 HE ARG 138 -9.553 8.604 1.407 1147 HB2 ARG 138 2HB ARG 138 -6.601 8.185 2.383 1148 HB3 ARG 138 3HB ARG 138 -6.372 7.554 4.007 1149 HG2 ARG 138 2HG ARG 138 -8.684 7.965 3.788 1150 HG3 ARG 138 3HG ARG 138 -8.056 9.274 4.790 1151 HD2 ARG 138 2HD ARG 138 -9.570 10.221 3.200 1152 HD3 ARG 138 3HD ARG 138 -7.936 10.692 2.730 1153 HH11 ARG 138 1HH1 ARG 138 -6.993 10.911 1.319 1154 HH12 ARG 138 2HH1 ARG 138 -6.752 10.729 -0.382 1155 HH21 ARG 138 1HH2 ARG 138 -9.220 8.388 -0.767 1156 HH22 ARG 138 2HH2 ARG 138 -7.984 9.320 -1.542 1157 H GLN 139 H GLN 139 -4.260 8.175 5.431 1158 HA GLN 139 HA GLN 139 -5.448 9.400 7.784 1159 HB2 GLN 139 2HB GLN 139 -5.012 6.950 7.647 1160 HB3 GLN 139 3HB GLN 139 -3.287 7.285 7.598 1161 HG2 GLN 139 2HG GLN 139 -3.889 6.638 9.824 1162 HG3 GLN 139 3HG GLN 139 -3.470 8.349 9.829 1163 HE21 GLN 139 1HE2 GLN 139 -6.529 7.088 8.655 1164 HE22 GLN 139 2HE2 GLN 139 -7.495 7.772 9.909 1165 H VAL 140 H VAL 140 -2.217 9.204 6.296 1166 HA VAL 140 HA VAL 140 -0.730 10.494 8.262 1167 HB VAL 140 HB VAL 140 -0.299 10.546 5.264 1168 HG11 VAL 140 1HG1 VAL 140 0.984 12.334 6.344 1169 HG12 VAL 140 2HG1 VAL 140 2.053 11.055 5.769 1170 HG13 VAL 140 3HG1 VAL 140 1.660 11.172 7.486 1171 HG21 VAL 140 3HG2 VAL 140 1.262 8.699 5.693 1172 HG22 VAL 140 1HG2 VAL 140 -0.375 8.288 6.198 1173 HG23 VAL 140 2HG2 VAL 140 0.834 8.734 7.404 1174 H SER 141 H SER 141 -2.825 11.917 5.819 1175 HA SER 141 HA SER 141 -1.903 14.621 6.497 1176 HG SER 141 HG SER 141 -3.725 12.688 3.853 1177 HB2 SER 141 2HB SER 141 -3.315 15.360 4.597 1178 HB3 SER 141 3HB SER 141 -2.146 14.133 4.117 1179 H ALA 142 H ALA 142 -3.847 12.715 8.119 1180 HA ALA 142 HA ALA 142 -5.546 14.909 9.004 1181 HB1 ALA 142 3HB ALA 142 -6.834 13.934 7.169 1182 HB2 ALA 142 1HB ALA 142 -7.647 13.716 8.718 1183 HB3 ALA 142 2HB ALA 142 -6.792 12.365 7.973 1184 H PHE 143 H PHE 143 -3.676 12.320 9.880 1185 HA PHE 143 HA PHE 143 -5.150 10.874 11.739 1186 HD1 PHE 143 HD2 PHE 143 -1.641 12.145 9.918 1187 HD2 PHE 143 HD1 PHE 143 -1.629 11.385 14.108 1188 HE1 PHE 143 HE2 PHE 143 0.371 13.537 10.161 1189 HE2 PHE 143 HE1 PHE 143 0.388 12.776 14.356 1190 HZ PHE 143 HZ PHE 143 1.389 13.854 12.379 1191 HB2 PHE 143 2HB PHE 143 -3.047 10.129 12.681 1192 HB3 PHE 143 3HB PHE 143 -2.899 10.229 10.933 1193 H THR 144 H THR 144 -3.515 13.973 12.197 1194 HA THR 144 HA THR 144 -3.882 14.049 15.038 1195 HB THR 144 HB THR 144 -2.122 15.401 14.059 1196 HG1 THR 144 HG1 THR 144 -2.649 16.456 15.838 1197 HG21 THR 144 3HG2 THR 144 -2.620 17.393 12.699 1198 HG22 THR 144 1HG2 THR 144 -4.330 16.958 12.692 1199 HG23 THR 144 2HG2 THR 144 -3.151 15.914 11.895 1200 H SER 145 H SER 145 -5.849 14.946 12.306 1201 HA SER 145 HA SER 145 -7.795 16.326 14.014 1202 HG SER 145 HG SER 145 -7.042 18.118 12.732 1203 HB2 SER 145 2HB SER 145 -7.728 15.985 11.000 1204 HB3 SER 145 3HB SER 145 -8.948 16.894 11.889 1205 H ALA 146 H ALA 146 -8.752 14.691 15.172 1206 HA ALA 146 HA ALA 146 -9.433 12.156 14.079 1207 HB1 ALA 146 3HB ALA 146 -10.367 13.430 16.647 1208 HB2 ALA 146 1HB ALA 146 -8.910 12.458 16.440 1209 HB3 ALA 146 2HB ALA 146 -10.499 11.722 16.228 1210 H GLY 147 H GLY 147 -10.897 15.006 13.372 1211 HA2 GLY 147 2HA GLY 147 -13.638 14.461 13.427 1212 HA3 GLY 147 3HA GLY 147 -12.834 15.443 12.211 1213 H LEU 148 H LEU 148 -11.153 13.440 11.127 1214 HA LEU 148 HA LEU 148 -13.029 11.784 9.636 1215 HG LEU 148 HG LEU 148 -10.801 9.885 8.475 1216 HB2 LEU 148 2HB LEU 148 -11.171 12.892 8.460 1217 HB3 LEU 148 3HB LEU 148 -10.014 12.033 9.460 1218 HD11 LEU 148 1HD1 LEU 148 -13.065 10.563 7.865 1219 HD12 LEU 148 2HD1 LEU 148 -12.199 9.920 6.469 1220 HD13 LEU 148 3HD1 LEU 148 -12.418 11.662 6.646 1221 HD21 LEU 148 3HD2 LEU 148 -9.722 10.179 6.304 1222 HD22 LEU 148 1HD2 LEU 148 -8.833 11.024 7.572 1223 HD23 LEU 148 2HD2 LEU 148 -9.859 11.931 6.461 1224 H GLU 149 H GLU 149 -13.789 10.276 11.115 1225 HA GLU 149 HA GLU 149 -11.892 8.742 12.724 1226 HB2 GLU 149 2HB GLU 149 -14.265 9.755 13.404 1227 HB3 GLU 149 3HB GLU 149 -14.850 8.231 12.763 1228 HG2 GLU 149 2HG GLU 149 -12.851 8.552 14.997 1229 HG3 GLU 149 3HG GLU 149 -14.558 8.170 15.188 1230 H HIS 150 H HIS 150 -14.828 7.215 11.615 1231 HA HIS 150 HA HIS 150 -13.569 5.836 9.383 1232 HD1 HIS 150 HD1 HIS 150 -12.662 4.609 13.380 1233 HD2 HIS 150 HD2 HIS 150 -11.472 3.583 9.532 1234 HE1 HIS 150 HE1 HIS 150 -10.220 4.071 13.552 1235 HE2 HIS 150 HE2 HIS 150 -9.487 3.592 11.196 1236 HB2 HIS 150 2HB HIS 150 -14.600 4.348 11.819 1237 HB3 HIS 150 3HB HIS 150 -14.289 3.582 10.266 1238 H HIS 151 H HIS 151 -15.032 5.629 7.779 1239 HA HIS 151 HA HIS 151 -17.689 6.467 8.008 1240 HD1 HIS 151 HD1 HIS 151 -14.423 5.962 5.221 1241 HD2 HIS 151 HD2 HIS 151 -16.839 2.610 5.680 1242 HE1 HIS 151 HE1 HIS 151 -13.047 4.026 4.419 1243 HE2 HIS 151 HE2 HIS 151 -14.469 1.995 4.835 1244 HB2 HIS 151 2HB HIS 151 -17.979 5.293 5.745 1245 HB3 HIS 151 3HB HIS 151 -16.766 6.562 5.848 1246 H HIS 152 H HIS 152 -18.780 5.450 9.667 1247 HA HIS 152 HA HIS 152 -18.997 2.607 9.893 1248 HD1 HIS 152 HD1 HIS 152 -19.567 1.691 12.835 1249 HD2 HIS 152 HD2 HIS 152 -23.065 3.241 11.213 1250 HE1 HIS 152 HE1 HIS 152 -21.396 0.173 13.620 1251 HE2 HIS 152 HE2 HIS 152 -23.464 1.007 12.461 1252 HB2 HIS 152 2HB HIS 152 -19.311 4.065 11.847 1253 HB3 HIS 152 3HB HIS 152 -20.728 4.791 11.096 1254 H HIS 153 H HIS 153 -19.740 1.684 8.026 1255 HA HIS 153 HA HIS 153 -22.338 2.620 6.968 1256 HD1 HIS 153 HD1 HIS 153 -22.438 3.917 4.475 1257 HD2 HIS 153 HD2 HIS 153 -21.972 -0.118 3.592 1258 HE1 HIS 153 HE1 HIS 153 -23.923 3.482 2.497 1259 HE2 HIS 153 HE2 HIS 153 -23.527 1.069 1.905 1260 HB2 HIS 153 2HB HIS 153 -20.257 2.717 5.489 1261 HB3 HIS 153 3HB HIS 153 -20.298 0.957 5.476 1262 H HIS 154 H HIS 154 -23.991 1.148 6.594 1263 HA HIS 154 HA HIS 154 -23.821 -1.403 7.973 1264 HD1 HIS 154 HD1 HIS 154 -25.865 2.110 7.867 1265 HD2 HIS 154 HD2 HIS 154 -26.426 -1.331 10.129 1266 HE1 HIS 154 HE1 HIS 154 -26.469 2.906 10.163 1267 HE2 HIS 154 HE2 HIS 154 -27.015 0.815 11.445 1268 HB2 HIS 154 2HB HIS 154 -26.094 -0.076 6.471 1269 HB3 HIS 154 3HB HIS 154 -26.236 -1.590 7.359 1270 H HIS 155 H HIS 155 -25.199 -3.219 6.660 1271 HA HIS 155 HA HIS 155 -24.443 -3.281 3.839 1272 HD1 HIS 155 HD1 HIS 155 -24.687 -7.186 3.835 1273 HD2 HIS 155 HD2 HIS 155 -21.544 -4.776 2.577 1274 HE1 HIS 155 HE1 HIS 155 -23.880 -8.201 1.688 1275 HE2 HIS 155 HE2 HIS 155 -22.060 -6.665 0.886 1276 HB2 HIS 155 2HB HIS 155 -22.551 -4.332 5.100 1277 HB3 HIS 155 3HB HIS 155 -23.670 -5.556 5.690 Start of MODEL 6 1 HA MET 1 HA MET 1 0.068 37.820 0.025 2 H1 MET 1 1H MET 1 -0.959 37.668 2.200 3 H2 MET 1 2H MET 1 0.331 36.590 2.066 4 H3 MET 1 3H MET 1 -1.256 36.015 1.979 5 HB2 MET 1 2HB MET 1 -0.802 34.931 -0.273 6 HB3 MET 1 3HB MET 1 -0.069 35.919 -1.530 7 HG2 MET 1 2HG MET 1 1.571 34.427 -0.593 8 HG3 MET 1 3HG MET 1 1.974 36.092 -0.169 9 HE1 MET 1 3HE MET 1 3.624 35.381 1.728 10 HE2 MET 1 1HE MET 1 3.353 33.686 1.321 11 HE3 MET 1 2HE MET 1 3.229 34.221 2.999 12 H GLY 2 H GLY 2 -2.768 35.644 0.380 13 HA2 GLY 2 2HA GLY 2 -4.655 37.705 -0.149 14 HA3 GLY 2 3HA GLY 2 -4.354 36.768 -1.605 15 H PHE 3 H PHE 3 -6.772 36.465 -1.177 16 HA PHE 3 HA PHE 3 -7.562 34.700 0.942 17 HD1 PHE 3 HD2 PHE 3 -8.380 37.842 -1.466 18 HD2 PHE 3 HD1 PHE 3 -10.266 35.907 1.832 19 HE1 PHE 3 HE2 PHE 3 -8.853 40.031 -0.453 20 HE2 PHE 3 HE1 PHE 3 -10.738 38.099 2.843 21 HZ PHE 3 HZ PHE 3 -10.031 40.160 1.703 22 HB2 PHE 3 2HB PHE 3 -9.058 35.483 -1.580 23 HB3 PHE 3 3HB PHE 3 -9.758 34.684 -0.175 24 H LYS 4 H LYS 4 -6.524 32.744 0.863 25 HA LYS 4 HA LYS 4 -6.455 31.226 -1.624 26 HB2 LYS 4 2HB LYS 4 -5.121 29.595 -0.371 27 HB3 LYS 4 3HB LYS 4 -4.465 31.216 -0.206 28 HG2 LYS 4 2HG LYS 4 -5.491 31.408 2.017 29 HG3 LYS 4 3HG LYS 4 -6.136 29.774 1.854 30 HD2 LYS 4 2HD LYS 4 -4.130 29.696 3.194 31 HD3 LYS 4 3HD LYS 4 -3.811 28.921 1.642 32 HE2 LYS 4 2HE LYS 4 -2.745 31.004 0.851 33 HE3 LYS 4 3HE LYS 4 -3.036 31.738 2.427 34 HZ1 LYS 4 3HZ LYS 4 -0.796 30.942 2.322 35 HZ2 LYS 4 1HZ LYS 4 -1.302 29.398 1.850 36 HZ3 LYS 4 2HZ LYS 4 -1.653 29.963 3.401 37 H LEU 5 H LEU 5 -7.791 29.613 -2.160 38 HA LEU 5 HA LEU 5 -9.861 28.790 -0.222 39 HG LEU 5 HG LEU 5 -11.887 30.102 -3.091 40 HB2 LEU 5 2HB LEU 5 -9.842 28.665 -3.249 41 HB3 LEU 5 3HB LEU 5 -11.120 28.016 -2.242 42 HD11 LEU 5 1HD1 LEU 5 -12.466 29.690 -0.768 43 HD12 LEU 5 2HD1 LEU 5 -12.272 31.414 -1.072 44 HD13 LEU 5 3HD1 LEU 5 -11.002 30.516 -0.238 45 HD21 LEU 5 3HD2 LEU 5 -10.705 32.209 -2.840 46 HD22 LEU 5 1HD2 LEU 5 -9.717 31.052 -3.732 47 HD23 LEU 5 2HD2 LEU 5 -9.367 31.387 -2.038 48 H ARG 6 H ARG 6 -10.329 26.558 0.090 49 HA ARG 6 HA ARG 6 -8.014 24.861 -0.271 50 HE ARG 6 HE ARG 6 -11.632 22.969 2.205 51 HB2 ARG 6 2HB ARG 6 -9.295 24.825 1.838 52 HB3 ARG 6 3HB ARG 6 -10.696 24.204 0.970 53 HG2 ARG 6 2HG ARG 6 -9.393 22.191 0.368 54 HG3 ARG 6 3HG ARG 6 -8.039 22.814 1.313 55 HD2 ARG 6 2HD ARG 6 -9.333 21.164 2.576 56 HD3 ARG 6 3HD ARG 6 -9.401 22.755 3.335 57 HH11 ARG 6 1HH1 ARG 6 -10.351 19.889 3.054 58 HH12 ARG 6 2HH1 ARG 6 -11.907 19.146 3.132 59 HH21 ARG 6 1HH2 ARG 6 -13.623 22.007 2.293 60 HH22 ARG 6 2HH2 ARG 6 -13.743 20.328 2.689 61 H GLY 7 H GLY 7 -8.135 24.917 -2.645 62 HA2 GLY 7 2HA GLY 7 -10.115 23.061 -3.789 63 HA3 GLY 7 3HA GLY 7 -9.024 24.097 -4.697 64 H GLN 8 H GLN 8 -7.071 22.881 -2.430 65 HA GLN 8 HA GLN 8 -5.801 21.043 -4.223 66 HB2 GLN 8 2HB GLN 8 -5.235 21.667 -1.315 67 HB3 GLN 8 3HB GLN 8 -4.195 20.702 -2.355 68 HG2 GLN 8 2HG GLN 8 -3.842 22.640 -3.806 69 HG3 GLN 8 3HG GLN 8 -4.891 23.609 -2.772 70 HE21 GLN 8 1HE2 GLN 8 -3.871 22.386 -0.319 71 HE22 GLN 8 2HE2 GLN 8 -2.302 23.049 -0.071 72 H VAL 9 H VAL 9 -5.262 18.799 -3.711 73 HA VAL 9 HA VAL 9 -7.526 17.250 -3.108 74 HB VAL 9 HB VAL 9 -5.778 16.378 -4.541 75 HG11 VAL 9 1HG1 VAL 9 -4.006 16.273 -2.098 76 HG12 VAL 9 2HG1 VAL 9 -3.836 17.400 -3.445 77 HG13 VAL 9 3HG1 VAL 9 -3.600 15.670 -3.707 78 HG21 VAL 9 3HG2 VAL 9 -5.558 14.117 -3.623 79 HG22 VAL 9 1HG2 VAL 9 -7.186 14.755 -3.384 80 HG23 VAL 9 2HG2 VAL 9 -6.049 14.710 -2.037 81 H SER 10 H SER 10 -4.605 17.830 -1.121 82 HA SER 10 HA SER 10 -6.000 17.941 1.318 83 HG SER 10 HG SER 10 -4.908 14.908 2.936 84 HB2 SER 10 2HB SER 10 -6.336 15.518 0.974 85 HB3 SER 10 3HB SER 10 -4.593 15.292 0.849 86 H GLU 11 H GLU 11 -4.696 18.588 3.008 87 HA GLU 11 HA GLU 11 -1.779 18.426 2.611 88 HB2 GLU 11 2HB GLU 11 -3.397 20.784 3.536 89 HB3 GLU 11 3HB GLU 11 -1.746 20.578 4.099 90 HG2 GLU 11 2HG GLU 11 -1.152 20.375 1.590 91 HG3 GLU 11 3HG GLU 11 -2.735 21.104 1.320 92 H LEU 12 H LEU 12 -0.629 18.881 4.763 93 HA LEU 12 HA LEU 12 -1.999 17.719 7.057 94 HG LEU 12 HG LEU 12 -0.328 16.294 4.281 95 HB2 LEU 12 2HB LEU 12 0.318 16.325 7.240 96 HB3 LEU 12 3HB LEU 12 -1.157 15.686 6.544 97 HD11 LEU 12 1HD1 LEU 12 2.022 16.877 3.969 98 HD12 LEU 12 2HD1 LEU 12 2.223 17.015 5.717 99 HD13 LEU 12 3HD1 LEU 12 1.151 18.126 4.863 100 HD21 LEU 12 3HD2 LEU 12 1.517 14.514 5.874 101 HD22 LEU 12 1HD2 LEU 12 1.339 14.515 4.119 102 HD23 LEU 12 2HD2 LEU 12 -0.015 14.038 5.140 103 HA PRO 13 HA PRO 13 0.229 20.824 9.168 104 HB2 PRO 13 2HB PRO 13 0.253 19.907 11.702 105 HB3 PRO 13 3HB PRO 13 -1.244 20.373 10.884 106 HG2 PRO 13 2HG PRO 13 -0.079 17.633 11.281 107 HG3 PRO 13 3HG PRO 13 -1.753 18.177 11.514 108 HD2 PRO 13 2HD PRO 13 -0.924 16.882 9.272 109 HD3 PRO 13 3HD PRO 13 -2.229 18.084 9.259 110 H PHE 14 H PHE 14 2.051 18.860 7.896 111 HA PHE 14 HA PHE 14 4.429 19.677 9.273 112 HD1 PHE 14 HD1 PHE 14 1.950 16.820 10.625 113 HD2 PHE 14 HD2 PHE 14 4.810 15.615 7.708 114 HE1 PHE 14 HE1 PHE 14 0.570 14.859 10.084 115 HE2 PHE 14 HE2 PHE 14 3.429 13.654 7.160 116 HZ PHE 14 HZ PHE 14 1.308 13.276 8.351 117 HB2 PHE 14 2HB PHE 14 5.354 17.289 9.368 118 HB3 PHE 14 3HB PHE 14 4.196 17.754 10.603 119 H GLU 15 H GLU 15 5.787 20.318 7.757 120 HA GLU 15 HA GLU 15 5.270 19.624 4.987 121 HB2 GLU 15 2HB GLU 15 6.894 21.444 4.496 122 HB3 GLU 15 3HB GLU 15 5.551 21.955 5.510 123 HG2 GLU 15 2HG GLU 15 6.985 21.796 7.492 124 HG3 GLU 15 3HG GLU 15 8.330 21.277 6.479 125 H ARG 16 H ARG 16 7.108 18.048 7.191 126 HA ARG 16 HA ARG 16 8.987 17.121 5.129 127 HE ARG 16 HE ARG 16 11.653 21.329 5.585 128 HB2 ARG 16 2HB ARG 16 9.846 17.953 7.915 129 HB3 ARG 16 3HB ARG 16 10.877 17.161 6.733 130 HG2 ARG 16 2HG ARG 16 10.684 19.080 5.245 131 HG3 ARG 16 3HG ARG 16 9.598 19.868 6.388 132 HD2 ARG 16 2HD ARG 16 11.387 19.900 8.066 133 HD3 ARG 16 3HD ARG 16 12.476 19.121 6.914 134 HH11 ARG 16 1HH1 ARG 16 12.965 20.863 8.731 135 HH12 ARG 16 2HH1 ARG 16 13.745 22.403 8.749 136 HH21 ARG 16 1HH2 ARG 16 12.643 23.293 5.619 137 HH22 ARG 16 2HH2 ARG 16 13.572 23.770 6.999 138 H VAL 17 H VAL 17 9.117 14.961 5.050 139 HA VAL 17 HA VAL 17 8.515 13.391 7.474 140 HB VAL 17 HB VAL 17 7.329 11.703 6.064 141 HG11 VAL 17 1HG1 VAL 17 6.093 14.457 6.129 142 HG12 VAL 17 2HG1 VAL 17 6.061 13.264 7.428 143 HG13 VAL 17 3HG1 VAL 17 5.212 12.943 5.916 144 HG21 VAL 17 3HG2 VAL 17 8.241 12.332 3.883 145 HG22 VAL 17 1HG2 VAL 17 7.388 13.873 3.957 146 HG23 VAL 17 2HG2 VAL 17 6.480 12.365 3.859 147 H TYR 18 H TYR 18 9.405 11.276 7.517 148 HA TYR 18 HA TYR 18 11.579 10.769 5.582 149 HD1 TYR 18 HD1 TYR 18 14.187 10.795 5.912 150 HD2 TYR 18 HD2 TYR 18 12.691 8.186 8.929 151 HE1 TYR 18 HE1 TYR 18 16.107 9.304 5.571 152 HE2 TYR 18 HE2 TYR 18 14.616 6.691 8.593 153 HH TYR 18 HH TYR 18 17.372 7.583 6.939 154 HB2 TYR 18 2HB TYR 18 12.497 11.533 7.741 155 HB3 TYR 18 3HB TYR 18 11.628 10.248 8.570 156 H ILE 19 H ILE 19 12.043 8.536 5.159 157 HA ILE 19 HA ILE 19 9.850 6.693 5.891 158 HB ILE 19 HB ILE 19 9.527 7.407 3.597 159 HG12 ILE 19 2HG1 ILE 19 10.644 4.586 3.717 160 HG13 ILE 19 3HG1 ILE 19 9.000 5.057 4.138 161 HG21 ILE 19 1HG2 ILE 19 12.325 6.404 3.044 162 HG22 ILE 19 2HG2 ILE 19 11.832 8.096 3.112 163 HG23 ILE 19 3HG2 ILE 19 11.191 7.043 1.851 164 HD11 ILE 19 3HD1 ILE 19 9.067 4.048 1.952 165 HD12 ILE 19 1HD1 ILE 19 10.266 5.221 1.413 166 HD13 ILE 19 2HD1 ILE 19 8.631 5.749 1.812 167 H THR 20 H THR 20 10.379 4.593 6.388 168 HA THR 20 HA THR 20 13.050 3.577 5.779 169 HB THR 20 HB THR 20 13.480 4.475 7.961 170 HG1 THR 20 HG1 THR 20 14.232 2.284 7.508 171 HG21 THR 20 3HG2 THR 20 11.052 2.956 8.926 172 HG22 THR 20 1HG2 THR 20 11.177 4.708 8.757 173 HG23 THR 20 2HG2 THR 20 12.174 3.862 9.940 174 H ALA 21 H ALA 21 13.052 1.473 5.267 175 HA ALA 21 HA ALA 21 10.691 -0.173 5.927 176 HB1 ALA 21 3HB ALA 21 10.789 -1.151 3.665 177 HB2 ALA 21 1HB ALA 21 12.081 -0.024 3.246 178 HB3 ALA 21 2HB ALA 21 10.469 0.583 3.623 179 HA PRO 22 HA PRO 22 13.832 -3.029 7.369 180 HB2 PRO 22 2HB PRO 22 12.233 -5.193 7.752 181 HB3 PRO 22 3HB PRO 22 12.235 -3.798 8.837 182 HG2 PRO 22 2HG PRO 22 10.345 -4.442 6.593 183 HG3 PRO 22 3HG PRO 22 9.976 -3.881 8.236 184 HD2 PRO 22 2HD PRO 22 10.005 -2.198 6.130 185 HD3 PRO 22 3HD PRO 22 10.525 -1.684 7.747 186 H ALA 23 H ALA 23 11.772 -3.684 4.612 187 HA ALA 23 HA ALA 23 13.861 -5.420 3.466 188 HB1 ALA 23 3HB ALA 23 12.076 -6.862 4.349 189 HB2 ALA 23 1HB ALA 23 12.174 -6.950 2.589 190 HB3 ALA 23 2HB ALA 23 10.897 -6.008 3.356 191 H GLY 24 H GLY 24 13.413 -5.766 1.026 192 HA2 GLY 24 2HA GLY 24 13.221 -3.152 -0.175 193 HA3 GLY 24 3HA GLY 24 13.542 -4.663 -1.013 194 H LEU 25 H LEU 25 10.925 -2.901 0.606 195 HA LEU 25 HA LEU 25 8.930 -4.279 -1.044 196 HG LEU 25 HG LEU 25 9.682 -4.636 1.922 197 HB2 LEU 25 2HB LEU 25 8.586 -2.444 1.335 198 HB3 LEU 25 3HB LEU 25 7.309 -3.357 0.547 199 HD11 LEU 25 1HD1 LEU 25 8.353 -3.420 3.553 200 HD12 LEU 25 2HD1 LEU 25 8.159 -5.161 3.754 201 HD13 LEU 25 3HD1 LEU 25 6.886 -4.215 2.977 202 HD21 LEU 25 3HD2 LEU 25 7.072 -5.792 0.928 203 HD22 LEU 25 1HD2 LEU 25 8.326 -6.674 1.805 204 HD23 LEU 25 2HD2 LEU 25 8.663 -6.029 0.200 205 H THR 26 H THR 26 8.224 -3.335 -2.851 206 HA THR 26 HA THR 26 8.948 -0.810 -3.776 207 HB THR 26 HB THR 26 7.249 -1.059 -5.517 208 HG1 THR 26 HG1 THR 26 5.559 -2.350 -5.298 209 HG21 THR 26 3HG2 THR 26 8.549 -3.710 -4.866 210 HG22 THR 26 1HG2 THR 26 9.330 -2.365 -5.700 211 HG23 THR 26 2HG2 THR 26 7.966 -3.194 -6.447 212 H ILE 27 H ILE 27 6.227 -1.725 -1.785 213 HA ILE 27 HA ILE 27 4.461 0.355 -2.053 214 HB ILE 27 HB ILE 27 4.130 -1.578 -0.541 215 HG12 ILE 27 2HG1 ILE 27 3.043 -0.310 1.351 216 HG13 ILE 27 3HG1 ILE 27 3.784 1.159 0.722 217 HG21 ILE 27 1HG2 ILE 27 6.022 -0.139 1.322 218 HG22 ILE 27 2HG2 ILE 27 6.342 -1.655 0.481 219 HG23 ILE 27 3HG2 ILE 27 5.084 -1.579 1.715 220 HD11 ILE 27 3HD1 ILE 27 1.460 0.947 0.036 221 HD12 ILE 27 1HD1 ILE 27 1.823 -0.590 -0.751 222 HD13 ILE 27 2HD1 ILE 27 2.541 0.906 -1.357 223 H GLY 28 H GLY 28 7.573 0.388 -0.378 224 HA2 GLY 28 2HA GLY 28 7.264 3.003 0.764 225 HA3 GLY 28 3HA GLY 28 8.756 2.084 0.647 226 H SER 29 H SER 29 8.881 1.754 -2.144 227 HA SER 29 HA SER 29 10.149 4.124 -2.944 228 HG SER 29 HG SER 29 11.383 2.205 -3.121 229 HB2 SER 29 2HB SER 29 9.090 1.879 -4.685 230 HB3 SER 29 3HB SER 29 10.253 3.102 -5.193 231 H ASP 30 H ASP 30 6.890 2.914 -3.660 232 HA ASP 30 HA ASP 30 6.177 5.205 -5.244 233 HB2 ASP 30 2HB ASP 30 4.466 3.043 -3.989 234 HB3 ASP 30 3HB ASP 30 3.870 4.272 -5.102 235 H LEU 31 H LEU 31 5.861 4.280 -1.871 236 HA LEU 31 HA LEU 31 4.106 6.203 -0.904 237 HG LEU 31 HG LEU 31 5.621 7.026 1.699 238 HB2 LEU 31 2HB LEU 31 5.040 4.344 0.424 239 HB3 LEU 31 3HB LEU 31 6.608 5.125 0.419 240 HD11 LEU 31 1HD1 LEU 31 3.306 6.773 1.002 241 HD12 LEU 31 2HD1 LEU 31 3.444 6.739 2.758 242 HD13 LEU 31 3HD1 LEU 31 3.197 5.237 1.864 243 HD21 LEU 31 3HD2 LEU 31 5.483 5.841 3.840 244 HD22 LEU 31 1HD2 LEU 31 6.822 5.246 2.859 245 HD23 LEU 31 2HD2 LEU 31 5.334 4.305 2.984 246 H GLU 32 H GLU 32 7.636 6.461 -1.328 247 HA GLU 32 HA GLU 32 8.099 9.013 -0.373 248 HB2 GLU 32 2HB GLU 32 9.373 7.728 -2.806 249 HB3 GLU 32 3HB GLU 32 10.032 9.090 -1.913 250 HG2 GLU 32 2HG GLU 32 10.349 7.691 0.044 251 HG3 GLU 32 3HG GLU 32 9.602 6.327 -0.786 252 H ARG 33 H ARG 33 6.908 8.061 -3.565 253 HA ARG 33 HA ARG 33 7.185 10.665 -4.725 254 HE ARG 33 HE ARG 33 8.239 5.569 -7.144 255 HB2 ARG 33 2HB ARG 33 5.473 8.414 -5.785 256 HB3 ARG 33 3HB ARG 33 6.213 9.724 -6.694 257 HG2 ARG 33 2HG ARG 33 8.446 8.774 -6.145 258 HG3 ARG 33 3HG ARG 33 7.629 7.412 -5.376 259 HD2 ARG 33 2HD ARG 33 6.434 7.064 -7.594 260 HD3 ARG 33 3HD ARG 33 7.588 8.204 -8.284 261 HH11 ARG 33 1HH1 ARG 33 9.151 8.296 -9.033 262 HH12 ARG 33 2HH1 ARG 33 10.495 7.480 -9.751 263 HH21 ARG 33 1HH2 ARG 33 9.952 4.532 -8.061 264 HH22 ARG 33 2HH2 ARG 33 10.960 5.374 -9.188 265 H VAL 34 H VAL 34 4.303 8.717 -3.893 266 HA VAL 34 HA VAL 34 2.365 10.543 -4.677 267 HB VAL 34 HB VAL 34 2.175 8.509 -2.443 268 HG11 VAL 34 1HG1 VAL 34 0.365 10.136 -2.278 269 HG12 VAL 34 2HG1 VAL 34 -0.254 8.580 -2.834 270 HG13 VAL 34 3HG1 VAL 34 -0.026 9.900 -3.983 271 HG21 VAL 34 3HG2 VAL 34 2.834 7.525 -4.588 272 HG22 VAL 34 1HG2 VAL 34 1.454 8.294 -5.373 273 HG23 VAL 34 2HG2 VAL 34 1.192 7.049 -4.152 274 H ILE 35 H ILE 35 3.771 10.192 -1.407 275 HA ILE 35 HA ILE 35 2.187 12.197 -0.182 276 HB ILE 35 HB ILE 35 4.820 10.917 0.547 277 HG12 ILE 35 2HG1 ILE 35 3.526 9.958 2.394 278 HG13 ILE 35 3HG1 ILE 35 2.120 10.906 1.935 279 HG21 ILE 35 1HG2 ILE 35 3.418 13.086 2.117 280 HG22 ILE 35 2HG2 ILE 35 5.008 13.194 1.356 281 HG23 ILE 35 3HG2 ILE 35 4.752 12.097 2.712 282 HD11 ILE 35 3HD1 ILE 35 3.368 8.734 0.268 283 HD12 ILE 35 1HD1 ILE 35 1.909 9.643 -0.121 284 HD13 ILE 35 2HD1 ILE 35 1.928 8.563 1.272 285 H SER 36 H SER 36 5.532 12.370 -1.452 286 HA SER 36 HA SER 36 5.935 15.072 -0.730 287 HG SER 36 HG SER 36 7.599 16.028 -2.200 288 HB2 SER 36 2HB SER 36 7.812 13.573 -1.148 289 HB3 SER 36 3HB SER 36 7.347 13.425 -2.842 290 H THR 37 H THR 37 4.383 13.691 -3.532 291 HA THR 37 HA THR 37 4.550 16.236 -4.991 292 HB THR 37 HB THR 37 3.544 15.004 -6.891 293 HG1 THR 37 HG1 THR 37 3.954 12.496 -5.961 294 HG21 THR 37 3HG2 THR 37 5.970 13.657 -5.685 295 HG22 THR 37 1HG2 THR 37 5.985 15.120 -6.668 296 HG23 THR 37 2HG2 THR 37 5.486 13.585 -7.377 297 H HIS 38 H HIS 38 2.099 14.113 -3.540 298 HA HIS 38 HA HIS 38 -0.077 15.743 -4.541 299 HD1 HIS 38 HD1 HIS 38 -2.690 12.935 -4.884 300 HD2 HIS 38 HD2 HIS 38 1.435 12.613 -5.279 301 HE1 HIS 38 HE1 HIS 38 -2.317 11.494 -6.901 302 HE2 HIS 38 HE2 HIS 38 0.173 11.173 -7.015 303 HB2 HIS 38 2HB HIS 38 -0.036 13.380 -2.654 304 HB3 HIS 38 3HB HIS 38 -1.509 14.217 -3.133 305 H THR 39 H THR 39 1.505 15.237 -1.393 306 HA THR 39 HA THR 39 -0.116 17.452 -0.280 307 HB THR 39 HB THR 39 0.548 16.592 1.968 308 HG1 THR 39 HG1 THR 39 2.261 15.129 0.619 309 HG21 THR 39 3HG2 THR 39 -1.621 16.001 1.004 310 HG22 THR 39 1HG2 THR 39 -0.975 14.683 1.983 311 HG23 THR 39 2HG2 THR 39 -0.894 14.598 0.221 312 H ARG 40 H ARG 40 1.107 18.572 1.611 313 HA ARG 40 HA ARG 40 3.263 20.037 0.553 314 HE ARG 40 HE ARG 40 1.522 22.706 2.187 315 HB2 ARG 40 2HB ARG 40 1.672 20.831 2.313 316 HB3 ARG 40 3HB ARG 40 2.463 19.762 3.463 317 HG2 ARG 40 2HG ARG 40 3.392 21.873 3.873 318 HG3 ARG 40 3HG ARG 40 4.616 21.029 2.923 319 HD2 ARG 40 2HD ARG 40 4.318 23.335 2.147 320 HD3 ARG 40 3HD ARG 40 3.846 22.178 0.900 321 HH11 ARG 40 1HH1 ARG 40 3.898 24.728 0.706 322 HH12 ARG 40 2HH1 ARG 40 2.750 25.961 0.329 323 HH21 ARG 40 1HH2 ARG 40 0.081 24.288 1.688 324 HH22 ARG 40 2HH2 ARG 40 0.622 25.720 0.873 325 H ALA 41 H ALA 41 3.171 17.206 2.622 326 HA ALA 41 HA ALA 41 5.571 17.370 3.968 327 HB1 ALA 41 3HB ALA 41 4.200 14.868 3.000 328 HB2 ALA 41 1HB ALA 41 3.825 15.751 4.479 329 HB3 ALA 41 2HB ALA 41 5.392 14.965 4.298 330 H LYS 42 H LYS 42 7.433 17.873 2.986 331 HA LYS 42 HA LYS 42 8.329 16.569 0.561 332 HB2 LYS 42 2HB LYS 42 8.860 18.934 0.985 333 HB3 LYS 42 3HB LYS 42 9.746 18.487 2.433 334 HG2 LYS 42 2HG LYS 42 11.274 18.965 0.614 335 HG3 LYS 42 3HG LYS 42 11.371 17.263 1.067 336 HD2 LYS 42 2HD LYS 42 11.397 17.580 -1.379 337 HD3 LYS 42 3HD LYS 42 9.998 16.644 -0.849 338 HE2 LYS 42 2HE LYS 42 9.407 18.309 -2.563 339 HE3 LYS 42 3HE LYS 42 8.582 18.612 -1.037 340 HZ1 LYS 42 3HZ LYS 42 9.428 20.645 -2.019 341 HZ2 LYS 42 1HZ LYS 42 11.008 20.039 -1.997 342 HZ3 LYS 42 2HZ LYS 42 10.193 20.340 -0.544 343 H VAL 43 H VAL 43 9.422 14.703 0.498 344 HA VAL 43 HA VAL 43 10.127 13.317 2.908 345 HB VAL 43 HB VAL 43 10.710 12.552 0.032 346 HG11 VAL 43 1HG1 VAL 43 12.147 11.355 1.615 347 HG12 VAL 43 2HG1 VAL 43 10.964 10.266 0.887 348 HG13 VAL 43 3HG1 VAL 43 10.728 10.850 2.535 349 HG21 VAL 43 3HG2 VAL 43 8.309 12.827 0.449 350 HG22 VAL 43 1HG2 VAL 43 8.418 11.734 1.830 351 HG23 VAL 43 2HG2 VAL 43 8.723 11.132 0.201 352 H VAL 44 H VAL 44 11.993 13.380 3.975 353 HA VAL 44 HA VAL 44 14.382 14.521 2.697 354 HB VAL 44 HB VAL 44 15.309 14.701 4.969 355 HG11 VAL 44 1HG1 VAL 44 14.005 16.565 4.087 356 HG12 VAL 44 2HG1 VAL 44 13.775 16.419 5.830 357 HG13 VAL 44 3HG1 VAL 44 12.521 15.853 4.724 358 HG21 VAL 44 3HG2 VAL 44 14.248 12.756 5.992 359 HG22 VAL 44 1HG2 VAL 44 12.666 13.531 5.873 360 HG23 VAL 44 2HG2 VAL 44 13.906 14.206 6.934 361 H ASN 45 H ASN 45 16.461 13.470 2.935 362 HA ASN 45 HA ASN 45 16.240 10.575 2.676 363 HB2 ASN 45 2HB ASN 45 17.537 11.985 1.053 364 HB3 ASN 45 3HB ASN 45 18.690 12.327 2.338 365 HD21 ASN 45 1HD2 ASN 45 20.070 10.681 3.041 366 HD22 ASN 45 2HD2 ASN 45 20.300 9.230 2.135 367 H LYS 46 H LYS 46 16.818 12.664 5.225 368 HA LYS 46 HA LYS 46 18.069 10.528 6.790 369 HB2 LYS 46 2HB LYS 46 19.733 11.991 7.775 370 HB3 LYS 46 3HB LYS 46 19.930 11.952 6.031 371 HG2 LYS 46 2HG LYS 46 18.504 14.164 7.499 372 HG3 LYS 46 3HG LYS 46 20.222 14.196 7.110 373 HD2 LYS 46 2HD LYS 46 19.645 14.011 4.708 374 HD3 LYS 46 3HD LYS 46 17.935 14.059 5.136 375 HE2 LYS 46 2HE LYS 46 18.666 16.260 4.436 376 HE3 LYS 46 3HE LYS 46 18.274 16.279 6.155 377 HZ1 LYS 46 3HZ LYS 46 20.670 16.064 6.622 378 HZ2 LYS 46 1HZ LYS 46 20.301 17.474 5.765 379 HZ3 LYS 46 2HZ LYS 46 20.991 16.159 4.964 380 H ALA 47 H ALA 47 17.483 10.470 8.953 381 HA ALA 47 HA ALA 47 14.979 11.775 9.521 382 HB1 ALA 47 3HB ALA 47 15.390 9.420 10.073 383 HB2 ALA 47 1HB ALA 47 14.903 10.358 11.484 384 HB3 ALA 47 2HB ALA 47 16.596 9.915 11.260 385 H GLU 48 H GLU 48 18.161 12.745 10.082 386 HA GLU 48 HA GLU 48 18.108 13.838 12.648 387 HB2 GLU 48 2HB GLU 48 19.922 15.283 11.950 388 HB3 GLU 48 3HB GLU 48 20.138 13.695 11.229 389 HG2 GLU 48 2HG GLU 48 19.187 14.551 9.126 390 HG3 GLU 48 3HG GLU 48 19.049 16.145 9.854 391 H LYS 49 H LYS 49 16.716 15.091 9.663 392 HA LYS 49 HA LYS 49 15.381 17.173 11.250 393 HB2 LYS 49 2HB LYS 49 17.298 18.200 10.032 394 HB3 LYS 49 3HB LYS 49 16.578 17.675 8.514 395 HG2 LYS 49 2HG LYS 49 14.628 19.080 8.930 396 HG3 LYS 49 3HG LYS 49 15.301 19.576 10.484 397 HD2 LYS 49 2HD LYS 49 15.694 21.306 8.832 398 HD3 LYS 49 3HD LYS 49 17.232 20.574 9.294 399 HE2 LYS 49 2HE LYS 49 17.124 19.162 7.264 400 HE3 LYS 49 3HE LYS 49 15.635 19.985 6.798 401 HZ1 LYS 49 3HZ LYS 49 18.303 21.249 7.127 402 HZ2 LYS 49 1HZ LYS 49 16.879 22.072 6.731 403 HZ3 LYS 49 2HZ LYS 49 17.522 20.934 5.665 404 H SER 50 H SER 50 13.507 15.984 11.253 405 HA SER 50 HA SER 50 11.856 16.273 8.885 406 HG SER 50 HG SER 50 10.597 12.858 9.072 407 HB2 SER 50 2HB SER 50 12.742 14.033 8.491 408 HB3 SER 50 3HB SER 50 12.328 13.543 10.133 409 H GLU 51 H GLU 51 9.558 16.006 9.385 410 HA GLU 51 HA GLU 51 9.051 16.726 12.180 411 HB2 GLU 51 2HB GLU 51 7.044 16.810 9.922 412 HB3 GLU 51 3HB GLU 51 6.988 17.670 11.454 413 HG2 GLU 51 2HG GLU 51 8.780 18.200 9.098 414 HG3 GLU 51 3HG GLU 51 7.531 19.245 9.767 415 H ALA 52 H ALA 52 8.349 14.223 9.849 416 HA ALA 52 HA ALA 52 7.285 12.542 12.003 417 HB1 ALA 52 3HB ALA 52 5.311 13.525 10.906 418 HB2 ALA 52 1HB ALA 52 5.397 11.780 10.665 419 HB3 ALA 52 2HB ALA 52 5.854 12.874 9.359 420 H ILE 53 H ILE 53 7.640 10.317 11.701 421 HA ILE 53 HA ILE 53 9.244 9.562 9.332 422 HB ILE 53 HB ILE 53 9.629 8.630 12.188 423 HG12 ILE 53 2HG1 ILE 53 11.376 10.256 10.320 424 HG13 ILE 53 3HG1 ILE 53 10.589 10.828 11.786 425 HG21 ILE 53 1HG2 ILE 53 11.080 7.736 9.689 426 HG22 ILE 53 2HG2 ILE 53 9.945 6.767 10.632 427 HG23 ILE 53 3HG2 ILE 53 11.480 7.264 11.342 428 HD11 ILE 53 3HD1 ILE 53 12.953 10.473 12.146 429 HD12 ILE 53 1HD1 ILE 53 12.802 8.791 11.637 430 HD13 ILE 53 2HD1 ILE 53 12.009 9.341 13.114 431 H ILE 54 H ILE 54 8.324 8.008 8.147 432 HA ILE 54 HA ILE 54 6.173 6.389 9.321 433 HB ILE 54 HB ILE 54 6.902 6.849 6.413 434 HG12 ILE 54 2HG1 ILE 54 4.570 7.901 6.388 435 HG13 ILE 54 3HG1 ILE 54 4.624 7.847 8.145 436 HG21 ILE 54 1HG2 ILE 54 6.046 4.599 6.681 437 HG22 ILE 54 2HG2 ILE 54 4.834 5.601 5.882 438 HG23 ILE 54 3HG2 ILE 54 4.662 5.201 7.592 439 HD11 ILE 54 3HD1 ILE 54 5.205 10.044 7.303 440 HD12 ILE 54 1HD1 ILE 54 6.532 9.353 6.368 441 HD13 ILE 54 2HD1 ILE 54 6.577 9.308 8.131 442 H GLN 55 H GLN 55 6.853 4.518 10.154 443 HA GLN 55 HA GLN 55 8.957 2.973 8.785 444 HB2 GLN 55 2HB GLN 55 9.145 3.475 11.263 445 HB3 GLN 55 3HB GLN 55 7.744 2.445 11.516 446 HG2 GLN 55 2HG GLN 55 10.182 1.395 10.117 447 HG3 GLN 55 3HG GLN 55 10.122 1.483 11.873 448 HE21 GLN 55 1HE2 GLN 55 10.298 -0.832 10.093 449 HE22 GLN 55 2HE2 GLN 55 8.952 -1.838 10.488 450 H ILE 56 H ILE 56 8.151 1.641 7.263 451 HA ILE 56 HA ILE 56 5.477 0.537 7.548 452 HB ILE 56 HB ILE 56 6.261 1.433 5.373 453 HG12 ILE 56 2HG1 ILE 56 4.469 -0.399 5.611 454 HG13 ILE 56 3HG1 ILE 56 5.155 -0.134 4.016 455 HG21 ILE 56 1HG2 ILE 56 8.571 0.770 5.407 456 HG22 ILE 56 2HG2 ILE 56 7.789 0.118 3.968 457 HG23 ILE 56 3HG2 ILE 56 8.124 -0.935 5.343 458 HD11 ILE 56 3HD1 ILE 56 6.591 -2.093 4.317 459 HD12 ILE 56 1HD1 ILE 56 4.879 -2.490 4.471 460 HD13 ILE 56 2HD1 ILE 56 5.883 -2.356 5.913 461 H VAL 57 H VAL 57 5.115 -1.275 8.605 462 HA VAL 57 HA VAL 57 7.235 -2.830 9.686 463 HB VAL 57 HB VAL 57 4.261 -3.393 9.751 464 HG11 VAL 57 1HG1 VAL 57 6.493 -4.395 11.524 465 HG12 VAL 57 2HG1 VAL 57 5.577 -5.346 10.355 466 HG13 VAL 57 3HG1 VAL 57 4.770 -4.685 11.777 467 HG21 VAL 57 3HG2 VAL 57 5.978 -1.888 11.732 468 HG22 VAL 57 1HG2 VAL 57 4.261 -2.256 11.913 469 HG23 VAL 57 2HG2 VAL 57 4.799 -1.168 10.634 470 H HIS 58 H HIS 58 4.630 -3.652 7.368 471 HA HIS 58 HA HIS 58 6.330 -5.385 5.880 472 HD1 HIS 58 HD1 HIS 58 4.662 -6.833 9.833 473 HD2 HIS 58 HD2 HIS 58 2.239 -7.007 6.462 474 HE1 HIS 58 HE1 HIS 58 2.317 -7.046 10.702 475 HE2 HIS 58 HE2 HIS 58 0.915 -7.405 8.645 476 HB2 HIS 58 2HB HIS 58 5.153 -7.525 6.317 477 HB3 HIS 58 3HB HIS 58 5.998 -6.918 7.736 478 H ALA 59 H ALA 59 5.510 -5.874 3.884 479 HA ALA 59 HA ALA 59 2.705 -5.112 3.324 480 HB1 ALA 59 3HB ALA 59 4.332 -3.626 2.238 481 HB2 ALA 59 1HB ALA 59 3.398 -4.547 1.059 482 HB3 ALA 59 2HB ALA 59 5.060 -5.015 1.428 483 H ILE 60 H ILE 60 1.808 -7.151 3.645 484 HA ILE 60 HA ILE 60 2.982 -9.502 2.399 485 HB ILE 60 HB ILE 60 0.440 -9.246 4.025 486 HG12 ILE 60 2HG1 ILE 60 2.451 -8.667 5.324 487 HG13 ILE 60 3HG1 ILE 60 1.767 -10.194 5.873 488 HG21 ILE 60 1HG2 ILE 60 1.969 -11.704 3.157 489 HG22 ILE 60 2HG2 ILE 60 0.383 -11.199 2.572 490 HG23 ILE 60 3HG2 ILE 60 0.584 -11.691 4.253 491 HD11 ILE 60 3HD1 ILE 60 4.158 -9.878 4.069 492 HD12 ILE 60 1HD1 ILE 60 3.480 -11.407 4.626 493 HD13 ILE 60 2HD1 ILE 60 4.191 -10.284 5.784 494 H ARG 61 H ARG 61 2.678 -9.639 0.248 495 HA ARG 61 HA ARG 61 -0.026 -9.202 -0.851 496 HE ARG 61 HE ARG 61 5.459 -9.534 -3.366 497 HB2 ARG 61 2HB ARG 61 1.138 -9.009 -3.061 498 HB3 ARG 61 3HB ARG 61 1.582 -7.762 -1.903 499 HG2 ARG 61 2HG ARG 61 3.632 -9.092 -1.366 500 HG3 ARG 61 3HG ARG 61 3.205 -10.180 -2.686 501 HD2 ARG 61 2HD ARG 61 3.286 -8.267 -4.251 502 HD3 ARG 61 3HD ARG 61 3.786 -7.222 -2.918 503 HH11 ARG 61 1HH1 ARG 61 4.947 -6.187 -4.014 504 HH12 ARG 61 2HH1 ARG 61 6.566 -5.940 -4.574 505 HH21 ARG 61 1HH2 ARG 61 7.536 -9.194 -4.069 506 HH22 ARG 61 2HH2 ARG 61 8.024 -7.617 -4.572 507 H GLU 62 H GLU 62 -1.170 -11.009 -1.141 508 HA GLU 62 HA GLU 62 0.111 -13.393 -2.251 509 HB2 GLU 62 2HB GLU 62 -0.899 -14.840 -0.481 510 HB3 GLU 62 3HB GLU 62 0.370 -13.773 0.108 511 HG2 GLU 62 2HG GLU 62 -1.391 -12.211 0.910 512 HG3 GLU 62 3HG GLU 62 -2.604 -13.394 0.431 513 H LYS 63 H LYS 63 -1.235 -14.709 -3.437 514 HA LYS 63 HA LYS 63 -3.934 -13.641 -3.920 515 HB2 LYS 63 2HB LYS 63 -2.261 -15.445 -5.684 516 HB3 LYS 63 3HB LYS 63 -3.820 -14.745 -6.100 517 HG2 LYS 63 2HG LYS 63 -2.727 -12.472 -5.806 518 HG3 LYS 63 3HG LYS 63 -1.186 -13.331 -5.739 519 HD2 LYS 63 2HD LYS 63 -3.162 -13.353 -8.035 520 HD3 LYS 63 3HD LYS 63 -1.609 -12.521 -8.002 521 HE2 LYS 63 2HE LYS 63 -0.450 -14.660 -7.846 522 HE3 LYS 63 3HE LYS 63 -1.993 -15.509 -7.815 523 HZ1 LYS 63 3HZ LYS 63 -2.453 -14.719 -10.044 524 HZ2 LYS 63 1HZ LYS 63 -0.975 -15.542 -10.014 525 HZ3 LYS 63 2HZ LYS 63 -1.001 -13.851 -10.074 526 H ARG 64 H ARG 64 -5.381 -14.670 -2.694 527 HA ARG 64 HA ARG 64 -5.301 -17.559 -2.268 528 HE ARG 64 HE ARG 64 -6.075 -17.007 3.019 529 HB2 ARG 64 2HB ARG 64 -7.101 -15.351 -1.264 530 HB3 ARG 64 3HB ARG 64 -7.466 -17.045 -0.983 531 HG2 ARG 64 2HG ARG 64 -5.406 -17.318 0.266 532 HG3 ARG 64 3HG ARG 64 -4.955 -15.646 -0.072 533 HD2 ARG 64 2HD ARG 64 -6.720 -14.795 1.265 534 HD3 ARG 64 3HD ARG 64 -7.516 -16.366 1.342 535 HH11 ARG 64 1HH1 ARG 64 -5.067 -13.989 1.734 536 HH12 ARG 64 2HH1 ARG 64 -3.928 -13.700 3.001 537 HH21 ARG 64 1HH2 ARG 64 -4.662 -16.619 4.661 538 HH22 ARG 64 2HH2 ARG 64 -3.707 -15.178 4.654 539 H ILE 65 H ILE 65 -7.671 -18.574 -2.376 540 HA ILE 65 HA ILE 65 -8.870 -17.853 -4.980 541 HB ILE 65 HB ILE 65 -7.812 -20.195 -4.619 542 HG12 ILE 65 2HG1 ILE 65 -9.283 -19.538 -6.545 543 HG13 ILE 65 3HG1 ILE 65 -9.356 -21.243 -6.128 544 HG21 ILE 65 1HG2 ILE 65 -8.784 -20.710 -2.460 545 HG22 ILE 65 2HG2 ILE 65 -9.293 -21.899 -3.659 546 HG23 ILE 65 3HG2 ILE 65 -10.410 -20.634 -3.147 547 HD11 ILE 65 3HD1 ILE 65 -11.544 -20.376 -6.681 548 HD12 ILE 65 1HD1 ILE 65 -11.406 -19.158 -5.415 549 HD13 ILE 65 2HD1 ILE 65 -11.483 -20.866 -4.988 550 H LEU 66 H LEU 66 -11.001 -17.243 -5.022 551 HA LEU 66 HA LEU 66 -12.238 -16.677 -2.465 552 HG LEU 66 HG LEU 66 -15.016 -16.000 -3.507 553 HB2 LEU 66 2HB LEU 66 -12.259 -15.009 -4.262 554 HB3 LEU 66 3HB LEU 66 -13.200 -16.094 -5.270 555 HD11 LEU 66 1HD1 LEU 66 -14.981 -14.130 -1.937 556 HD12 LEU 66 2HD1 LEU 66 -13.352 -13.710 -2.465 557 HD13 LEU 66 3HD1 LEU 66 -13.645 -15.242 -1.641 558 HD21 LEU 66 3HD2 LEU 66 -15.204 -14.748 -5.579 559 HD22 LEU 66 1HD2 LEU 66 -14.260 -13.424 -4.894 560 HD23 LEU 66 2HD2 LEU 66 -15.854 -13.803 -4.238 561 H SER 67 H SER 67 -13.356 -18.402 -5.411 562 HA SER 67 HA SER 67 -15.049 -20.110 -3.726 563 HG SER 67 HG SER 67 -16.266 -18.159 -3.290 564 HB2 SER 67 2HB SER 67 -16.163 -18.535 -6.066 565 HB3 SER 67 3HB SER 67 -17.047 -19.707 -5.089 566 H LEU 68 H LEU 68 -15.197 -22.147 -4.439 567 HA LEU 68 HA LEU 68 -14.152 -22.817 -7.114 568 HG LEU 68 HG LEU 68 -12.601 -23.147 -4.435 569 HB2 LEU 68 2HB LEU 68 -14.629 -24.549 -4.677 570 HB3 LEU 68 3HB LEU 68 -14.027 -25.140 -6.215 571 HD11 LEU 68 1HD1 LEU 68 -12.650 -25.360 -3.429 572 HD12 LEU 68 2HD1 LEU 68 -11.028 -24.978 -4.005 573 HD13 LEU 68 3HD1 LEU 68 -12.055 -26.076 -4.928 574 HD21 LEU 68 3HD2 LEU 68 -12.070 -22.796 -6.784 575 HD22 LEU 68 1HD2 LEU 68 -11.713 -24.514 -6.981 576 HD23 LEU 68 2HD2 LEU 68 -10.694 -23.512 -5.945 577 H SER 69 H SER 69 -15.392 -23.981 -8.588 578 HA SER 69 HA SER 69 -18.260 -24.245 -7.976 579 HG SER 69 HG SER 69 -18.694 -24.938 -11.443 580 HB2 SER 69 2HB SER 69 -17.720 -22.970 -10.010 581 HB3 SER 69 3HB SER 69 -16.836 -24.356 -10.655 582 H GLU 70 H GLU 70 -19.339 -26.186 -8.115 583 HA GLU 70 HA GLU 70 -19.668 -28.440 -8.004 584 HB2 GLU 70 2HB GLU 70 -17.358 -28.562 -9.959 585 HB3 GLU 70 3HB GLU 70 -18.519 -29.846 -9.654 586 HG2 GLU 70 2HG GLU 70 -19.106 -27.155 -10.880 587 HG3 GLU 70 3HG GLU 70 -19.026 -28.700 -11.724 588 H SER 71 H SER 71 -17.577 -27.096 -6.266 589 HA SER 71 HA SER 71 -15.859 -27.538 -4.837 590 HG SER 71 HG SER 71 -15.640 -29.032 -2.767 591 HB2 SER 71 2HB SER 71 -17.605 -28.965 -3.837 592 HB3 SER 71 3HB SER 71 -17.090 -30.311 -4.849 593 H GLY 72 H GLY 72 -14.565 -27.280 -6.946 594 HA2 GLY 72 2HA GLY 72 -12.297 -28.832 -6.919 595 HA3 GLY 72 3HA GLY 72 -13.356 -29.628 -8.074 596 H ARG 73 H ARG 73 -14.543 -27.528 -9.371 597 HA ARG 73 HA ARG 73 -12.409 -26.482 -10.998 598 HE ARG 73 HE ARG 73 -14.767 -29.570 -13.695 599 HB2 ARG 73 2HB ARG 73 -15.407 -26.075 -11.049 600 HB3 ARG 73 3HB ARG 73 -14.326 -25.247 -12.156 601 HG2 ARG 73 2HG ARG 73 -15.202 -27.107 -13.317 602 HG3 ARG 73 3HG ARG 73 -13.528 -27.497 -12.928 603 HD2 ARG 73 2HD ARG 73 -14.256 -28.895 -11.075 604 HD3 ARG 73 3HD ARG 73 -15.940 -28.448 -11.370 605 HH11 ARG 73 1HH1 ARG 73 -15.938 -30.509 -10.592 606 HH12 ARG 73 2HH1 ARG 73 -16.449 -32.067 -11.139 607 HH21 ARG 73 1HH2 ARG 73 -15.398 -31.595 -14.369 608 HH22 ARG 73 2HH2 ARG 73 -16.134 -32.678 -13.234 609 H VAL 74 H VAL 74 -12.060 -24.176 -11.420 610 HA VAL 74 HA VAL 74 -12.314 -22.617 -8.937 611 HB VAL 74 HB VAL 74 -10.527 -22.126 -11.332 612 HG11 VAL 74 1HG1 VAL 74 -10.547 -20.812 -8.607 613 HG12 VAL 74 2HG1 VAL 74 -11.033 -20.065 -10.127 614 HG13 VAL 74 3HG1 VAL 74 -9.353 -20.531 -9.878 615 HG21 VAL 74 3HG2 VAL 74 -9.876 -23.325 -8.632 616 HG22 VAL 74 1HG2 VAL 74 -8.701 -22.930 -9.887 617 HG23 VAL 74 2HG2 VAL 74 -9.907 -24.183 -10.173 618 H ARG 75 H ARG 75 -13.568 -20.831 -8.805 619 HA ARG 75 HA ARG 75 -14.827 -19.778 -11.251 620 HE ARG 75 HE ARG 75 -17.682 -18.051 -8.604 621 HB2 ARG 75 2HB ARG 75 -15.566 -19.787 -8.361 622 HB3 ARG 75 3HB ARG 75 -16.118 -18.437 -9.338 623 HG2 ARG 75 2HG ARG 75 -17.211 -20.034 -10.872 624 HG3 ARG 75 3HG ARG 75 -16.723 -21.353 -9.801 625 HD2 ARG 75 2HD ARG 75 -19.078 -20.489 -9.471 626 HD3 ARG 75 3HD ARG 75 -18.071 -20.535 -8.025 627 HH11 ARG 75 1HH1 ARG 75 -20.614 -19.726 -9.262 628 HH12 ARG 75 2HH1 ARG 75 -21.593 -18.328 -8.993 629 HH21 ARG 75 1HH2 ARG 75 -18.938 -16.267 -8.263 630 HH22 ARG 75 2HH2 ARG 75 -20.657 -16.383 -8.455 631 H GLU 76 H GLU 76 -13.669 -18.382 -8.186 632 HA GLU 76 HA GLU 76 -12.656 -16.046 -9.669 633 HB2 GLU 76 2HB GLU 76 -14.356 -15.981 -7.160 634 HB3 GLU 76 3HB GLU 76 -13.643 -14.576 -7.942 635 HG2 GLU 76 2HG GLU 76 -15.034 -14.831 -9.859 636 HG3 GLU 76 3HG GLU 76 -15.594 -16.412 -9.320 637 H PHE 77 H PHE 77 -10.746 -15.238 -8.939 638 HA PHE 77 HA PHE 77 -9.429 -16.659 -6.733 639 HD1 PHE 77 HD1 PHE 77 -8.257 -18.426 -7.815 640 HD2 PHE 77 HD2 PHE 77 -5.673 -15.035 -7.757 641 HE1 PHE 77 HE1 PHE 77 -6.386 -19.865 -7.114 642 HE2 PHE 77 HE2 PHE 77 -3.806 -16.471 -7.056 643 HZ PHE 77 HZ PHE 77 -4.159 -18.886 -6.737 644 HB2 PHE 77 2HB PHE 77 -8.556 -16.107 -9.260 645 HB3 PHE 77 3HB PHE 77 -7.873 -14.744 -8.385 646 H GLU 78 H GLU 78 -8.741 -15.634 -4.898 647 HA GLU 78 HA GLU 78 -9.764 -12.910 -4.481 648 HB2 GLU 78 2HB GLU 78 -10.690 -14.544 -2.974 649 HB3 GLU 78 3HB GLU 78 -9.091 -15.137 -2.549 650 HG2 GLU 78 2HG GLU 78 -8.591 -12.969 -1.489 651 HG3 GLU 78 3HG GLU 78 -10.223 -12.423 -1.875 652 H LEU 79 H LEU 79 -8.172 -11.461 -4.974 653 HA LEU 79 HA LEU 79 -5.419 -11.959 -4.125 654 HG LEU 79 HG LEU 79 -7.150 -11.083 -7.049 655 HB2 LEU 79 2HB LEU 79 -6.421 -9.459 -5.482 656 HB3 LEU 79 3HB LEU 79 -4.788 -10.100 -5.456 657 HD11 LEU 79 1HD1 LEU 79 -5.882 -9.257 -8.030 658 HD12 LEU 79 2HD1 LEU 79 -5.658 -10.743 -8.950 659 HD13 LEU 79 3HD1 LEU 79 -4.387 -10.182 -7.861 660 HD21 LEU 79 3HD2 LEU 79 -6.095 -13.061 -6.121 661 HD22 LEU 79 1HD2 LEU 79 -4.513 -12.496 -6.660 662 HD23 LEU 79 2HD2 LEU 79 -5.745 -12.930 -7.845 663 H VAL 80 H VAL 80 -4.649 -11.231 -2.209 664 HA VAL 80 HA VAL 80 -6.038 -8.959 -0.926 665 HB VAL 80 HB VAL 80 -6.738 -11.005 0.188 666 HG11 VAL 80 1HG1 VAL 80 -5.148 -12.437 1.384 667 HG12 VAL 80 2HG1 VAL 80 -3.807 -11.502 0.719 668 HG13 VAL 80 3HG1 VAL 80 -4.848 -12.438 -0.355 669 HG21 VAL 80 3HG2 VAL 80 -6.505 -9.001 1.558 670 HG22 VAL 80 1HG2 VAL 80 -4.817 -9.396 1.883 671 HG23 VAL 80 2HG2 VAL 80 -6.101 -10.438 2.496 672 H TYR 81 H TYR 81 -4.820 -7.495 0.198 673 HA TYR 81 HA TYR 81 -1.891 -7.810 0.192 674 HD1 TYR 81 HD2 TYR 81 -0.137 -7.074 -0.146 675 HD2 TYR 81 HD1 TYR 81 -1.953 -3.539 -1.677 676 HE1 TYR 81 HE2 TYR 81 2.068 -5.995 -0.260 677 HE2 TYR 81 HE1 TYR 81 0.250 -2.456 -1.799 678 HH TYR 81 HH TYR 81 2.475 -2.675 -0.723 679 HB2 TYR 81 2HB TYR 81 -2.747 -6.509 -1.815 680 HB3 TYR 81 3HB TYR 81 -3.314 -5.284 -0.690 681 H ARG 82 H ARG 82 -1.152 -7.508 2.192 682 HA ARG 82 HA ARG 82 -2.681 -5.844 4.090 683 HE ARG 82 HE ARG 82 -2.902 -7.171 7.142 684 HB2 ARG 82 2HB ARG 82 -0.731 -8.111 4.563 685 HB3 ARG 82 3HB ARG 82 -1.448 -7.147 5.846 686 HG2 ARG 82 2HG ARG 82 -3.030 -8.791 3.873 687 HG3 ARG 82 3HG ARG 82 -2.550 -9.345 5.479 688 HD2 ARG 82 2HD ARG 82 -4.269 -6.928 4.894 689 HD3 ARG 82 3HD ARG 82 -4.857 -8.496 5.441 690 HH11 ARG 82 1HH1 ARG 82 -6.200 -7.950 6.550 691 HH12 ARG 82 2HH1 ARG 82 -6.705 -7.525 8.148 692 HH21 ARG 82 1HH2 ARG 82 -3.557 -6.666 9.207 693 HH22 ARG 82 2HH2 ARG 82 -5.225 -6.822 9.640 694 H VAL 83 H VAL 83 -1.829 -3.814 3.979 695 HA VAL 83 HA VAL 83 1.101 -3.500 4.120 696 HB VAL 83 HB VAL 83 -1.000 -1.391 3.544 697 HG11 VAL 83 1HG1 VAL 83 2.016 -1.287 3.351 698 HG12 VAL 83 2HG1 VAL 83 1.007 -0.424 4.514 699 HG13 VAL 83 3HG1 VAL 83 0.915 -0.024 2.799 700 HG21 VAL 83 3HG2 VAL 83 -0.259 -1.529 1.222 701 HG22 VAL 83 1HG2 VAL 83 -0.891 -3.082 1.771 702 HG23 VAL 83 2HG2 VAL 83 0.851 -2.833 1.640 703 H ALA 84 H ALA 84 1.779 -3.516 6.208 704 HA ALA 84 HA ALA 84 0.250 -1.947 8.201 705 HB1 ALA 84 3HB ALA 84 2.181 -4.220 8.662 706 HB2 ALA 84 1HB ALA 84 0.423 -4.314 8.756 707 HB3 ALA 84 2HB ALA 84 1.317 -3.331 9.916 708 H ALA 85 H ALA 85 1.240 -0.352 9.376 709 HA ALA 85 HA ALA 85 4.123 0.054 9.202 710 HB1 ALA 85 3HB ALA 85 2.183 2.132 8.184 711 HB2 ALA 85 1HB ALA 85 3.277 1.165 7.192 712 HB3 ALA 85 2HB ALA 85 3.928 2.335 8.342 713 H ARG 86 H ARG 86 4.550 2.395 10.317 714 HA ARG 86 HA ARG 86 2.671 2.936 12.494 715 HE ARG 86 HE ARG 86 3.716 1.747 16.039 716 HB2 ARG 86 2HB ARG 86 5.621 2.405 12.980 717 HB3 ARG 86 3HB ARG 86 4.482 2.990 14.185 718 HG2 ARG 86 2HG ARG 86 3.189 0.856 13.852 719 HG3 ARG 86 3HG ARG 86 4.532 0.285 12.861 720 HD2 ARG 86 2HD ARG 86 4.834 -0.574 15.075 721 HD3 ARG 86 3HD ARG 86 6.047 0.680 14.809 722 HH11 ARG 86 1HH1 ARG 86 6.528 -0.126 16.749 723 HH12 ARG 86 2HH1 ARG 86 6.545 0.352 18.412 724 HH21 ARG 86 1HH2 ARG 86 3.771 2.350 18.153 725 HH22 ARG 86 2HH2 ARG 86 5.023 1.756 19.191 726 H LEU 87 H LEU 87 2.834 5.091 13.327 727 HA LEU 87 HA LEU 87 4.391 6.909 11.601 728 HG LEU 87 HG LEU 87 3.516 9.509 12.512 729 HB2 LEU 87 2HB LEU 87 1.877 7.124 11.650 730 HB3 LEU 87 3HB LEU 87 2.014 7.616 13.328 731 HD11 LEU 87 1HD1 LEU 87 4.034 8.582 10.308 732 HD12 LEU 87 2HD1 LEU 87 3.301 10.182 10.187 733 HD13 LEU 87 3HD1 LEU 87 2.339 8.744 9.844 734 HD21 LEU 87 3HD2 LEU 87 1.226 9.897 13.233 735 HD22 LEU 87 1HD2 LEU 87 0.628 9.471 11.629 736 HD23 LEU 87 2HD2 LEU 87 1.615 10.917 11.849 737 H LEU 88 H LEU 88 6.266 7.430 12.549 738 HA LEU 88 HA LEU 88 6.363 7.870 15.459 739 HG LEU 88 HG LEU 88 7.271 5.480 15.436 740 HB2 LEU 88 2HB LEU 88 8.639 7.377 13.526 741 HB3 LEU 88 3HB LEU 88 8.789 7.549 15.265 742 HD11 LEU 88 1HD1 LEU 88 8.084 5.220 12.541 743 HD12 LEU 88 2HD1 LEU 88 6.445 5.437 13.156 744 HD13 LEU 88 3HD1 LEU 88 7.331 3.956 13.514 745 HD21 LEU 88 3HD2 LEU 88 9.161 3.942 15.109 746 HD22 LEU 88 1HD2 LEU 88 9.626 5.405 15.976 747 HD23 LEU 88 2HD2 LEU 88 10.044 5.221 14.271 748 H ASP 89 H ASP 89 8.109 9.542 16.125 749 HA ASP 89 HA ASP 89 7.621 12.005 14.604 750 HB2 ASP 89 2HB ASP 89 8.013 13.199 16.566 751 HB3 ASP 89 3HB ASP 89 7.304 11.716 17.192 752 H ALA 90 H ALA 90 9.731 13.581 15.128 753 HA ALA 90 HA ALA 90 11.704 12.910 13.303 754 HB1 ALA 90 3HB ALA 90 11.296 15.189 14.125 755 HB2 ALA 90 1HB ALA 90 13.001 14.751 14.239 756 HB3 ALA 90 2HB ALA 90 11.991 14.744 15.684 757 H HIS 91 H HIS 91 11.561 12.168 16.748 758 HA HIS 91 HA HIS 91 14.320 11.181 16.750 759 HD1 HIS 91 HD1 HIS 91 11.728 13.893 18.683 760 HD2 HIS 91 HD2 HIS 91 15.832 13.241 18.750 761 HE1 HIS 91 HE1 HIS 91 12.770 16.174 18.800 762 HE2 HIS 91 HE2 HIS 91 15.246 15.761 18.670 763 HB2 HIS 91 2HB HIS 91 12.355 11.453 19.038 764 HB3 HIS 91 3HB HIS 91 14.065 11.055 19.183 765 H ASN 92 H ASN 92 11.836 9.796 15.526 766 HA ASN 92 HA ASN 92 11.180 7.662 15.129 767 HB2 ASN 92 2HB ASN 92 13.774 6.987 16.537 768 HB3 ASN 92 3HB ASN 92 12.798 5.835 15.628 769 HD21 ASN 92 1HD2 ASN 92 14.921 8.564 15.429 770 HD22 ASN 92 2HD2 ASN 92 15.166 8.506 13.723 771 H ALA 93 H ALA 93 10.263 8.945 17.599 772 HA ALA 93 HA ALA 93 9.574 6.537 19.158 773 HB1 ALA 93 3HB ALA 93 8.752 8.048 20.880 774 HB2 ALA 93 1HB ALA 93 9.063 9.441 19.841 775 HB3 ALA 93 2HB ALA 93 10.407 8.474 20.447 776 H GLU 94 H GLU 94 7.434 5.835 19.288 777 HA GLU 94 HA GLU 94 5.811 6.252 17.058 778 HB2 GLU 94 2HB GLU 94 4.047 5.042 18.350 779 HB3 GLU 94 3HB GLU 94 5.603 4.228 18.312 780 HG2 GLU 94 2HG GLU 94 6.078 5.140 20.574 781 HG3 GLU 94 3HG GLU 94 4.443 5.799 20.606 782 H LEU 95 H LEU 95 4.923 8.125 16.501 783 HA LEU 95 HA LEU 95 4.110 10.095 18.459 784 HG LEU 95 HG LEU 95 4.319 12.661 15.760 785 HB2 LEU 95 2HB LEU 95 5.306 10.575 16.269 786 HB3 LEU 95 3HB LEU 95 3.804 10.210 15.451 787 HD11 LEU 95 1HD1 LEU 95 2.047 11.920 15.270 788 HD12 LEU 95 2HD1 LEU 95 2.047 13.312 16.351 789 HD13 LEU 95 3HD1 LEU 95 1.738 11.699 16.992 790 HD21 LEU 95 3HD2 LEU 95 5.259 12.540 18.007 791 HD22 LEU 95 1HD2 LEU 95 3.685 12.071 18.653 792 HD23 LEU 95 2HD2 LEU 95 3.907 13.671 17.943 793 H ALA 96 H ALA 96 2.472 8.285 15.839 794 HA ALA 96 HA ALA 96 -0.013 8.351 17.371 795 HB1 ALA 96 3HB ALA 96 -0.090 10.396 16.009 796 HB2 ALA 96 1HB ALA 96 -1.347 9.245 15.556 797 HB3 ALA 96 2HB ALA 96 0.092 9.418 14.553 798 H SER 97 H SER 97 -1.780 7.084 16.194 799 HA SER 97 HA SER 97 -0.604 4.514 15.595 800 HG SER 97 HG SER 97 -3.862 3.223 15.404 801 HB2 SER 97 2HB SER 97 -2.515 4.683 17.150 802 HB3 SER 97 3HB SER 97 -3.532 5.252 15.827 803 H LEU 98 H LEU 98 0.225 4.541 13.549 804 HA LEU 98 HA LEU 98 -1.633 4.863 11.292 805 HG LEU 98 HG LEU 98 0.455 3.453 9.270 806 HB2 LEU 98 2HB LEU 98 0.578 5.892 11.059 807 HB3 LEU 98 3HB LEU 98 1.353 4.354 11.386 808 HD11 LEU 98 1HD1 LEU 98 -1.564 4.802 9.083 809 HD12 LEU 98 2HD1 LEU 98 -0.575 4.947 7.632 810 HD13 LEU 98 3HD1 LEU 98 -0.589 6.249 8.821 811 HD21 LEU 98 3HD2 LEU 98 1.898 4.722 7.770 812 HD22 LEU 98 1HD2 LEU 98 2.680 4.478 9.331 813 HD23 LEU 98 2HD2 LEU 98 1.972 6.046 8.934 814 H GLN 99 H GLN 99 -2.921 3.044 11.227 815 HA GLN 99 HA GLN 99 -1.812 0.486 12.052 816 HB2 GLN 99 2HB GLN 99 -4.610 1.437 11.484 817 HB3 GLN 99 3HB GLN 99 -4.243 -0.266 11.750 818 HG2 GLN 99 2HG GLN 99 -3.330 0.276 13.955 819 HG3 GLN 99 3HG GLN 99 -3.701 1.981 13.690 820 HE21 GLN 99 1HE2 GLN 99 -5.044 -1.191 14.216 821 HE22 GLN 99 2HE2 GLN 99 -6.612 -0.656 14.699 822 H GLU 100 H GLU 100 -3.024 -1.429 10.827 823 HA GLU 100 HA GLU 100 -1.665 -1.587 8.313 824 HB2 GLU 100 2HB GLU 100 -2.555 -3.911 8.249 825 HB3 GLU 100 3HB GLU 100 -1.679 -3.534 9.725 826 HG2 GLU 100 2HG GLU 100 -4.606 -3.115 9.820 827 HG3 GLU 100 3HG GLU 100 -4.072 -4.784 9.659 828 H ILE 101 H ILE 101 -2.598 -2.250 6.312 829 HA ILE 101 HA ILE 101 -5.349 -1.266 5.858 830 HB ILE 101 HB ILE 101 -3.077 -1.347 3.854 831 HG12 ILE 101 2HG1 ILE 101 -4.177 1.063 5.329 832 HG13 ILE 101 3HG1 ILE 101 -2.668 0.251 5.738 833 HG21 ILE 101 1HG2 ILE 101 -5.293 -1.460 2.835 834 HG22 ILE 101 2HG2 ILE 101 -4.534 0.096 2.498 835 HG23 ILE 101 3HG2 ILE 101 -5.794 -0.023 3.725 836 HD11 ILE 101 3HD1 ILE 101 -2.286 2.258 4.431 837 HD12 ILE 101 1HD1 ILE 101 -3.278 1.612 3.124 838 HD13 ILE 101 2HD1 ILE 101 -1.763 0.821 3.556 839 H ARG 102 H ARG 102 -6.741 -2.885 5.421 840 HA ARG 102 HA ARG 102 -5.727 -5.365 4.197 841 HE ARG 102 HE ARG 102 -9.713 -6.992 5.607 842 HB2 ARG 102 2HB ARG 102 -7.894 -6.361 4.929 843 HB3 ARG 102 3HB ARG 102 -6.910 -5.750 6.251 844 HG2 ARG 102 2HG ARG 102 -8.318 -3.717 6.323 845 HG3 ARG 102 3HG ARG 102 -9.329 -4.404 5.050 846 HD2 ARG 102 2HD ARG 102 -8.869 -5.607 7.783 847 HD3 ARG 102 3HD ARG 102 -10.312 -4.730 7.277 848 HH11 ARG 102 1HH1 ARG 102 -11.231 -6.000 8.531 849 HH12 ARG 102 2HH1 ARG 102 -12.352 -7.315 8.525 850 HH21 ARG 102 1HH2 ARG 102 -11.116 -8.712 5.641 851 HH22 ARG 102 2HH2 ARG 102 -12.262 -8.855 6.930 852 H LEU 103 H LEU 103 -5.731 -5.162 2.020 853 HA LEU 103 HA LEU 103 -8.183 -4.148 0.704 854 HG LEU 103 HG LEU 103 -5.646 -2.409 1.285 855 HB2 LEU 103 2HB LEU 103 -5.351 -4.239 -0.346 856 HB3 LEU 103 3HB LEU 103 -6.741 -3.657 -1.244 857 HD11 LEU 103 1HD1 LEU 103 -4.139 -2.095 -0.587 858 HD12 LEU 103 2HD1 LEU 103 -4.944 -0.579 -0.187 859 HD13 LEU 103 3HD1 LEU 103 -5.467 -1.512 -1.589 860 HD21 LEU 103 3HD2 LEU 103 -7.198 -0.575 0.789 861 HD22 LEU 103 1HD2 LEU 103 -8.052 -2.090 1.084 862 HD23 LEU 103 2HD2 LEU 103 -7.853 -1.497 -0.565 863 H THR 104 H THR 104 -9.257 -5.420 -0.720 864 HA THR 104 HA THR 104 -7.983 -7.937 -1.620 865 HB THR 104 HB THR 104 -10.216 -9.018 -1.609 866 HG1 THR 104 HG1 THR 104 -11.852 -7.687 -1.494 867 HG21 THR 104 3HG2 THR 104 -9.379 -7.900 1.073 868 HG22 THR 104 1HG2 THR 104 -8.740 -9.354 0.307 869 HG23 THR 104 2HG2 THR 104 -10.424 -9.298 0.828 870 H ARG 105 H ARG 105 -8.719 -8.763 -3.682 871 HA ARG 105 HA ARG 105 -10.413 -7.098 -5.355 872 HE ARG 105 HE ARG 105 -8.870 -4.847 -4.702 873 HB2 ARG 105 2HB ARG 105 -7.818 -6.393 -5.398 874 HB3 ARG 105 3HB ARG 105 -7.745 -7.705 -6.562 875 HG2 ARG 105 2HG ARG 105 -8.026 -5.613 -7.713 876 HG3 ARG 105 3HG ARG 105 -9.490 -6.581 -7.900 877 HD2 ARG 105 2HD ARG 105 -9.845 -4.122 -7.391 878 HD3 ARG 105 3HD ARG 105 -10.684 -5.256 -6.332 879 HH11 ARG 105 1HH1 ARG 105 -9.482 -2.480 -7.130 880 HH12 ARG 105 2HH1 ARG 105 -8.760 -1.207 -6.216 881 HH21 ARG 105 1HH2 ARG 105 -7.986 -3.189 -3.528 882 HH22 ARG 105 2HH2 ARG 105 -7.933 -1.593 -4.199 883 H ILE 106 H ILE 106 -11.419 -8.327 -6.954 884 HA ILE 106 HA ILE 106 -10.893 -11.205 -6.767 885 HB ILE 106 HB ILE 106 -13.284 -9.747 -7.910 886 HG12 ILE 106 2HG1 ILE 106 -13.165 -9.477 -5.505 887 HG13 ILE 106 3HG1 ILE 106 -14.430 -10.641 -5.876 888 HG21 ILE 106 1HG2 ILE 106 -12.956 -11.909 -9.013 889 HG22 ILE 106 2HG2 ILE 106 -14.377 -11.940 -7.970 890 HG23 ILE 106 3HG2 ILE 106 -12.881 -12.710 -7.441 891 HD11 ILE 106 3HD1 ILE 106 -11.658 -11.273 -4.882 892 HD12 ILE 106 1HD1 ILE 106 -12.883 -12.466 -5.312 893 HD13 ILE 106 2HD1 ILE 106 -13.160 -11.366 -3.963 894 H LEU 107 H LEU 107 -9.607 -12.067 -8.236 895 HA LEU 107 HA LEU 107 -9.678 -11.122 -11.027 896 HG LEU 107 HG LEU 107 -6.111 -12.167 -11.454 897 HB2 LEU 107 2HB LEU 107 -7.497 -11.367 -9.703 898 HB3 LEU 107 3HB LEU 107 -7.744 -13.096 -9.789 899 HD11 LEU 107 1HD1 LEU 107 -6.869 -13.491 -13.335 900 HD12 LEU 107 2HD1 LEU 107 -8.503 -13.532 -12.679 901 HD13 LEU 107 3HD1 LEU 107 -7.189 -14.338 -11.822 902 HD21 LEU 107 3HD2 LEU 107 -8.577 -10.974 -12.724 903 HD22 LEU 107 1HD2 LEU 107 -6.957 -11.006 -13.424 904 HD23 LEU 107 2HD2 LEU 107 -7.267 -10.077 -11.957 905 HA PRO 108 HA PRO 108 -12.518 -14.642 -11.439 906 HB2 PRO 108 2HB PRO 108 -13.029 -14.298 -14.113 907 HB3 PRO 108 3HB PRO 108 -13.814 -13.366 -12.835 908 HG2 PRO 108 2HG PRO 108 -11.468 -12.621 -14.550 909 HG3 PRO 108 3HG PRO 108 -12.876 -11.641 -14.097 910 HD2 PRO 108 2HD PRO 108 -10.507 -11.356 -12.859 911 HD3 PRO 108 3HD PRO 108 -12.039 -11.196 -11.973 912 H PHE 109 H PHE 109 -12.609 -16.680 -12.641 913 HA PHE 109 HA PHE 109 -10.071 -17.816 -13.199 914 HD1 PHE 109 HD1 PHE 109 -9.573 -20.238 -12.697 915 HD2 PHE 109 HD2 PHE 109 -12.714 -20.454 -15.570 916 HE1 PHE 109 HE1 PHE 109 -8.533 -22.237 -13.682 917 HE2 PHE 109 HE2 PHE 109 -11.675 -22.454 -16.557 918 HZ PHE 109 HZ PHE 109 -9.583 -23.345 -15.614 919 HB2 PHE 109 2HB PHE 109 -11.964 -19.165 -12.391 920 HB3 PHE 109 3HB PHE 109 -12.834 -18.860 -13.891 921 H LEU 110 H LEU 110 -8.954 -16.882 -14.828 922 HA LEU 110 HA LEU 110 -10.263 -16.513 -17.435 923 HG LEU 110 HG LEU 110 -9.596 -14.307 -15.321 924 HB2 LEU 110 2HB LEU 110 -7.647 -15.409 -16.396 925 HB3 LEU 110 3HB LEU 110 -8.338 -15.064 -17.969 926 HD11 LEU 110 1HD1 LEU 110 -8.995 -12.013 -15.901 927 HD12 LEU 110 2HD1 LEU 110 -8.167 -12.588 -17.350 928 HD13 LEU 110 3HD1 LEU 110 -7.562 -13.028 -15.754 929 HD21 LEU 110 3HD2 LEU 110 -11.144 -12.985 -16.687 930 HD22 LEU 110 1HD2 LEU 110 -11.254 -14.704 -17.067 931 HD23 LEU 110 2HD2 LEU 110 -10.391 -13.615 -18.152 932 H ASP 111 H ASP 111 -10.156 -18.762 -18.004 933 HA ASP 111 HA ASP 111 -7.511 -19.871 -18.550 934 HB2 ASP 111 2HB ASP 111 -9.315 -21.322 -17.647 935 HB3 ASP 111 3HB ASP 111 -10.258 -21.027 -19.106 936 H ALA 112 H ALA 112 -6.844 -20.477 -20.720 937 HA ALA 112 HA ALA 112 -6.381 -19.931 -22.885 938 HB1 ALA 112 3HB ALA 112 -8.240 -19.677 -24.434 939 HB2 ALA 112 1HB ALA 112 -9.348 -19.382 -23.090 940 HB3 ALA 112 2HB ALA 112 -8.589 -20.964 -23.278 941 H GLN 113 H GLN 113 -6.462 -17.855 -20.743 942 HA GLN 113 HA GLN 113 -6.539 -15.447 -22.439 943 HB2 GLN 113 2HB GLN 113 -7.714 -15.814 -19.678 944 HB3 GLN 113 3HB GLN 113 -7.332 -14.225 -20.324 945 HG2 GLN 113 2HG GLN 113 -9.196 -16.169 -21.673 946 HG3 GLN 113 3HG GLN 113 -9.723 -14.925 -20.541 947 HE21 GLN 113 1HE2 GLN 113 -10.958 -13.858 -22.072 948 HE22 GLN 113 2HE2 GLN 113 -10.265 -12.966 -23.376 949 H GLU 114 H GLU 114 -4.238 -16.933 -21.923 950 HA GLU 114 HA GLU 114 -2.593 -16.284 -19.841 951 HB2 GLU 114 2HB GLU 114 -0.696 -16.492 -21.431 952 HB3 GLU 114 3HB GLU 114 -1.886 -17.773 -21.612 953 HG2 GLU 114 2HG GLU 114 -2.855 -16.539 -23.538 954 HG3 GLU 114 3HG GLU 114 -1.552 -15.363 -23.393 955 H LEU 115 H LEU 115 -3.376 -14.202 -22.589 956 HA LEU 115 HA LEU 115 -1.614 -12.080 -21.989 957 HG LEU 115 HG LEU 115 -3.111 -10.291 -24.912 958 HB2 LEU 115 2HB LEU 115 -2.917 -12.535 -24.142 959 HB3 LEU 115 3HB LEU 115 -4.304 -11.827 -23.346 960 HD11 LEU 115 1HD1 LEU 115 -4.507 -9.363 -23.147 961 HD12 LEU 115 2HD1 LEU 115 -3.114 -8.332 -23.461 962 HD13 LEU 115 3HD1 LEU 115 -3.135 -9.376 -22.039 963 HD21 LEU 115 3HD2 LEU 115 -0.907 -10.407 -22.856 964 HD22 LEU 115 1HD2 LEU 115 -0.981 -9.313 -24.238 965 HD23 LEU 115 2HD2 LEU 115 -0.834 -11.050 -24.496 966 H ALA 116 H ALA 116 -5.001 -12.675 -21.069 967 HA ALA 116 HA ALA 116 -5.466 -10.219 -19.771 968 HB1 ALA 116 3HB ALA 116 -6.792 -12.867 -19.193 969 HB2 ALA 116 1HB ALA 116 -7.241 -11.774 -20.505 970 HB3 ALA 116 2HB ALA 116 -7.423 -11.261 -18.826 971 H LYS 117 H LYS 117 -4.442 -13.374 -18.443 972 HA LYS 117 HA LYS 117 -4.286 -12.461 -15.746 973 HB2 LYS 117 2HB LYS 117 -3.020 -14.850 -17.085 974 HB3 LYS 117 3HB LYS 117 -2.984 -14.550 -15.352 975 HG2 LYS 117 2HG LYS 117 -5.616 -14.374 -15.713 976 HG3 LYS 117 3HG LYS 117 -5.235 -15.407 -17.092 977 HD2 LYS 117 2HD LYS 117 -5.781 -16.821 -15.238 978 HD3 LYS 117 3HD LYS 117 -4.043 -16.947 -15.514 979 HE2 LYS 117 2HE LYS 117 -5.234 -15.070 -13.477 980 HE3 LYS 117 3HE LYS 117 -4.815 -16.733 -13.098 981 HZ1 LYS 117 3HZ LYS 117 -2.949 -14.623 -14.016 982 HZ2 LYS 117 1HZ LYS 117 -2.520 -16.238 -13.765 983 HZ3 LYS 117 2HZ LYS 117 -3.036 -15.279 -12.466 984 H ALA 118 H ALA 118 -2.186 -12.044 -18.422 985 HA ALA 118 HA ALA 118 0.140 -11.424 -16.785 986 HB1 ALA 118 3HB ALA 118 1.246 -10.909 -18.897 987 HB2 ALA 118 1HB ALA 118 -0.289 -11.063 -19.756 988 HB3 ALA 118 2HB ALA 118 0.437 -12.474 -18.986 989 H ALA 119 H ALA 119 -2.266 -9.687 -18.725 990 HA ALA 119 HA ALA 119 -1.109 -7.097 -18.057 991 HB1 ALA 119 3HB ALA 119 -2.751 -6.183 -19.613 992 HB2 ALA 119 1HB ALA 119 -3.516 -7.768 -19.756 993 HB3 ALA 119 2HB ALA 119 -1.870 -7.524 -20.346 994 H GLU 120 H GLU 120 -4.436 -8.472 -17.835 995 HA GLU 120 HA GLU 120 -5.450 -6.350 -16.294 996 HB2 GLU 120 2HB GLU 120 -6.457 -9.183 -16.598 997 HB3 GLU 120 3HB GLU 120 -7.350 -7.910 -15.773 998 HG2 GLU 120 2HG GLU 120 -7.305 -6.591 -17.884 999 HG3 GLU 120 3HG GLU 120 -6.549 -7.971 -18.681 1000 H GLU 121 H GLU 121 -4.263 -9.556 -15.231 1001 HA GLU 121 HA GLU 121 -4.763 -9.224 -12.491 1002 HB2 GLU 121 2HB GLU 121 -4.070 -11.381 -13.486 1003 HB3 GLU 121 3HB GLU 121 -2.458 -10.732 -13.764 1004 HG2 GLU 121 2HG GLU 121 -2.170 -10.443 -11.334 1005 HG3 GLU 121 3HG GLU 121 -3.769 -11.136 -11.074 1006 H GLU 122 H GLU 122 -1.902 -8.319 -14.411 1007 HA GLU 122 HA GLU 122 -0.350 -7.269 -12.317 1008 HB2 GLU 122 2HB GLU 122 0.516 -7.715 -14.596 1009 HB3 GLU 122 3HB GLU 122 -0.423 -6.358 -15.208 1010 HG2 GLU 122 2HG GLU 122 0.868 -4.915 -13.555 1011 HG3 GLU 122 3HG GLU 122 1.934 -6.300 -13.343 1012 H MET 123 H MET 123 -2.711 -5.679 -14.457 1013 HA MET 123 HA MET 123 -2.354 -3.077 -13.445 1014 HB2 MET 123 2HB MET 123 -4.747 -4.315 -14.819 1015 HB3 MET 123 3HB MET 123 -4.584 -2.596 -14.479 1016 HG2 MET 123 2HG MET 123 -2.485 -2.609 -15.845 1017 HG3 MET 123 3HG MET 123 -2.871 -4.266 -16.305 1018 HE1 MET 123 3HE MET 123 -6.089 -4.086 -16.511 1019 HE2 MET 123 1HE MET 123 -5.087 -4.929 -17.694 1020 HE3 MET 123 2HE MET 123 -6.280 -3.746 -18.232 1021 H LEU 124 H LEU 124 -4.629 -5.644 -12.473 1022 HA LEU 124 HA LEU 124 -5.930 -4.114 -10.458 1023 HG LEU 124 HG LEU 124 -6.909 -6.263 -12.572 1024 HB2 LEU 124 2HB LEU 124 -5.590 -7.109 -10.709 1025 HB3 LEU 124 3HB LEU 124 -6.655 -6.320 -9.558 1026 HD11 LEU 124 1HD1 LEU 124 -7.596 -8.374 -11.570 1027 HD12 LEU 124 2HD1 LEU 124 -8.992 -7.483 -12.175 1028 HD13 LEU 124 3HD1 LEU 124 -8.649 -7.514 -10.444 1029 HD21 LEU 124 3HD2 LEU 124 -8.980 -5.009 -12.212 1030 HD22 LEU 124 1HD2 LEU 124 -7.582 -4.109 -11.627 1031 HD23 LEU 124 2HD2 LEU 124 -8.644 -4.933 -10.482 1032 H TYR 125 H TYR 125 -3.176 -6.334 -10.377 1033 HA TYR 125 HA TYR 125 -2.579 -6.389 -7.682 1034 HD1 TYR 125 HD2 TYR 125 -0.510 -8.067 -6.794 1035 HD2 TYR 125 HD1 TYR 125 1.285 -5.462 -9.645 1036 HE1 TYR 125 HE2 TYR 125 1.581 -8.090 -5.498 1037 HE2 TYR 125 HE1 TYR 125 3.374 -5.483 -8.357 1038 HH TYR 125 HH TYR 125 4.194 -5.924 -6.207 1039 HB2 TYR 125 2HB TYR 125 -1.383 -7.784 -9.205 1040 HB3 TYR 125 3HB TYR 125 -0.800 -6.404 -10.123 1041 H LYS 126 H LYS 126 -1.402 -3.999 -10.073 1042 HA LYS 126 HA LYS 126 -0.181 -2.370 -8.035 1043 HB2 LYS 126 2HB LYS 126 0.340 -0.809 -9.843 1044 HB3 LYS 126 3HB LYS 126 0.767 -2.455 -10.291 1045 HG2 LYS 126 2HG LYS 126 -1.370 -2.589 -11.574 1046 HG3 LYS 126 3HG LYS 126 -1.630 -0.880 -11.224 1047 HD2 LYS 126 2HD LYS 126 -0.660 -1.086 -13.425 1048 HD3 LYS 126 3HD LYS 126 0.536 -0.370 -12.342 1049 HE2 LYS 126 2HE LYS 126 1.624 -2.548 -12.098 1050 HE3 LYS 126 3HE LYS 126 0.410 -3.281 -13.145 1051 HZ1 LYS 126 3HZ LYS 126 1.175 -1.732 -14.910 1052 HZ2 LYS 126 1HZ LYS 126 2.342 -2.860 -14.434 1053 HZ3 LYS 126 2HZ LYS 126 2.445 -1.260 -13.899 1054 H ASP 127 H ASP 127 -3.309 -2.493 -9.563 1055 HA ASP 127 HA ASP 127 -4.255 0.085 -8.868 1056 HB2 ASP 127 2HB ASP 127 -5.370 -1.445 -10.481 1057 HB3 ASP 127 3HB ASP 127 -5.822 -2.499 -9.148 1058 H MET 128 H MET 128 -4.097 -2.967 -7.108 1059 HA MET 128 HA MET 128 -5.458 -2.096 -4.762 1060 HB2 MET 128 2HB MET 128 -3.403 -4.290 -5.133 1061 HB3 MET 128 3HB MET 128 -4.375 -4.058 -3.685 1062 HG2 MET 128 2HG MET 128 -6.405 -4.464 -4.956 1063 HG3 MET 128 3HG MET 128 -5.459 -4.646 -6.432 1064 HE1 MET 128 3HE MET 128 -4.556 -5.926 -2.817 1065 HE2 MET 128 1HE MET 128 -5.213 -7.564 -2.858 1066 HE3 MET 128 2HE MET 128 -6.301 -6.176 -2.904 1067 H GLN 129 H GLN 129 -2.020 -2.163 -5.688 1068 HA GLN 129 HA GLN 129 -0.974 -1.103 -3.297 1069 HB2 GLN 129 2HB GLN 129 0.391 -2.125 -5.116 1070 HB3 GLN 129 3HB GLN 129 0.080 -0.716 -6.115 1071 HG2 GLN 129 2HG GLN 129 1.403 -0.451 -3.431 1072 HG3 GLN 129 3HG GLN 129 2.326 -0.883 -4.866 1073 HE21 GLN 129 1HE2 GLN 129 2.448 1.513 -3.156 1074 HE22 GLN 129 2HE2 GLN 129 2.206 2.849 -4.218 1075 H LYS 130 H LYS 130 -2.343 0.460 -6.155 1076 HA LYS 130 HA LYS 130 -1.888 3.139 -5.589 1077 HB2 LYS 130 2HB LYS 130 -2.917 2.399 -7.674 1078 HB3 LYS 130 3HB LYS 130 -4.343 1.850 -6.805 1079 HG2 LYS 130 2HG LYS 130 -4.672 4.259 -6.079 1080 HG3 LYS 130 3HG LYS 130 -3.422 4.681 -7.253 1081 HD2 LYS 130 2HD LYS 130 -5.651 4.956 -8.215 1082 HD3 LYS 130 3HD LYS 130 -4.769 3.672 -9.044 1083 HE2 LYS 130 2HE LYS 130 -5.969 1.989 -7.738 1084 HE3 LYS 130 3HE LYS 130 -6.822 3.257 -6.864 1085 HZ1 LYS 130 3HZ LYS 130 -7.009 2.828 -9.793 1086 HZ2 LYS 130 1HZ LYS 130 -7.918 3.915 -8.867 1087 HZ3 LYS 130 2HZ LYS 130 -8.128 2.251 -8.668 1088 H ASP 131 H ASP 131 -4.806 1.246 -4.676 1089 HA ASP 131 HA ASP 131 -5.951 3.153 -2.985 1090 HB2 ASP 131 2HB ASP 131 -6.084 0.132 -2.858 1091 HB3 ASP 131 3HB ASP 131 -7.070 1.191 -1.856 1092 H ALA 132 H ALA 132 -3.506 0.686 -2.288 1093 HA ALA 132 HA ALA 132 -3.424 0.884 0.499 1094 HB1 ALA 132 3HB ALA 132 -2.317 -0.898 -0.764 1095 HB2 ALA 132 1HB ALA 132 -1.204 -0.115 0.358 1096 HB3 ALA 132 2HB ALA 132 -1.129 0.259 -1.364 1097 H VAL 133 H VAL 133 -1.207 2.506 -1.820 1098 HA VAL 133 HA VAL 133 0.124 4.026 0.142 1099 HB VAL 133 HB VAL 133 1.035 3.608 -2.119 1100 HG11 VAL 133 1HG1 VAL 133 0.333 4.977 -4.020 1101 HG12 VAL 133 2HG1 VAL 133 -0.959 5.681 -3.046 1102 HG13 VAL 133 3HG1 VAL 133 -0.990 3.961 -3.441 1103 HG21 VAL 133 3HG2 VAL 133 2.045 5.828 -2.439 1104 HG22 VAL 133 1HG2 VAL 133 2.006 5.359 -0.738 1105 HG23 VAL 133 2HG2 VAL 133 0.837 6.526 -1.359 1106 H GLN 134 H GLN 134 -2.786 4.705 -1.743 1107 HA GLN 134 HA GLN 134 -3.107 7.405 -0.921 1108 HB2 GLN 134 2HB GLN 134 -5.112 5.355 -1.885 1109 HB3 GLN 134 3HB GLN 134 -5.531 7.030 -1.552 1110 HG2 GLN 134 2HG GLN 134 -3.475 6.135 -3.572 1111 HG3 GLN 134 3HG GLN 134 -5.140 6.576 -3.947 1112 HE21 GLN 134 1HE2 GLN 134 -2.632 7.788 -4.858 1113 HE22 GLN 134 2HE2 GLN 134 -2.726 9.449 -4.400 1114 H GLN 135 H GLN 135 -4.242 4.332 0.465 1115 HA GLN 135 HA GLN 135 -5.748 5.435 2.591 1116 HB2 GLN 135 2HB GLN 135 -4.374 2.765 2.260 1117 HB3 GLN 135 3HB GLN 135 -5.306 3.165 3.693 1118 HG2 GLN 135 2HG GLN 135 -6.456 3.268 0.911 1119 HG3 GLN 135 3HG GLN 135 -6.494 1.820 1.916 1120 HE21 GLN 135 1HE2 GLN 135 -8.740 1.815 1.973 1121 HE22 GLN 135 2HE2 GLN 135 -9.645 2.959 2.895 1122 H ILE 136 H ILE 136 -2.329 4.519 2.339 1123 HA ILE 136 HA ILE 136 -1.550 5.097 4.978 1124 HB ILE 136 HB ILE 136 0.095 5.449 2.454 1125 HG12 ILE 136 2HG1 ILE 136 -0.091 3.079 4.341 1126 HG13 ILE 136 3HG1 ILE 136 -0.795 3.152 2.730 1127 HG21 ILE 136 1HG2 ILE 136 0.989 5.162 5.330 1128 HG22 ILE 136 2HG2 ILE 136 1.063 6.636 4.365 1129 HG23 ILE 136 3HG2 ILE 136 2.049 5.247 3.920 1130 HD11 ILE 136 3HD1 ILE 136 1.255 1.886 2.695 1131 HD12 ILE 136 1HD1 ILE 136 2.140 3.241 3.398 1132 HD13 ILE 136 2HD1 ILE 136 1.457 3.378 1.777 1133 H LEU 137 H LEU 137 -1.299 7.182 2.076 1134 HA LEU 137 HA LEU 137 -0.500 9.538 3.299 1135 HG LEU 137 HG LEU 137 -2.401 11.513 1.623 1136 HB2 LEU 137 2HB LEU 137 -0.544 9.239 0.882 1137 HB3 LEU 137 3HB LEU 137 -2.296 9.159 0.895 1138 HD11 LEU 137 1HD1 LEU 137 -0.278 11.616 2.830 1139 HD12 LEU 137 2HD1 LEU 137 -0.391 12.894 1.624 1140 HD13 LEU 137 3HD1 LEU 137 0.603 11.472 1.311 1141 HD21 LEU 137 3HD2 LEU 137 -2.515 11.029 -0.747 1142 HD22 LEU 137 1HD2 LEU 137 -0.757 11.027 -0.865 1143 HD23 LEU 137 2HD2 LEU 137 -1.615 12.522 -0.489 1144 H ARG 138 H ARG 138 -3.811 8.411 2.689 1145 HA ARG 138 HA ARG 138 -5.247 10.547 3.725 1146 HE ARG 138 HE ARG 138 -8.997 9.332 2.069 1147 HB2 ARG 138 2HB ARG 138 -6.318 8.769 2.501 1148 HB3 ARG 138 3HB ARG 138 -5.868 7.591 3.725 1149 HG2 ARG 138 2HG ARG 138 -7.388 8.589 5.315 1150 HG3 ARG 138 3HG ARG 138 -7.756 9.901 4.191 1151 HD2 ARG 138 2HD ARG 138 -8.331 6.971 3.706 1152 HD3 ARG 138 3HD ARG 138 -9.517 8.170 4.224 1153 HH11 ARG 138 1HH1 ARG 138 -8.527 5.927 2.365 1154 HH12 ARG 138 2HH1 ARG 138 -8.739 5.648 0.673 1155 HH21 ARG 138 1HH2 ARG 138 -9.270 8.962 -0.077 1156 HH22 ARG 138 2HH2 ARG 138 -9.171 7.352 -0.700 1157 H GLN 139 H GLN 139 -4.086 7.656 5.477 1158 HA GLN 139 HA GLN 139 -5.153 8.480 7.988 1159 HB2 GLN 139 2HB GLN 139 -4.673 6.123 7.432 1160 HB3 GLN 139 3HB GLN 139 -2.953 6.482 7.397 1161 HG2 GLN 139 2HG GLN 139 -3.604 5.387 9.476 1162 HG3 GLN 139 3HG GLN 139 -2.989 7.012 9.769 1163 HE21 GLN 139 1HE2 GLN 139 -4.047 7.044 11.785 1164 HE22 GLN 139 2HE2 GLN 139 -5.753 7.281 11.903 1165 H VAL 140 H VAL 140 -1.878 8.652 6.594 1166 HA VAL 140 HA VAL 140 -0.566 9.715 8.841 1167 HB VAL 140 HB VAL 140 0.111 10.015 5.903 1168 HG11 VAL 140 1HG1 VAL 140 2.399 10.560 6.643 1169 HG12 VAL 140 2HG1 VAL 140 1.844 10.589 8.316 1170 HG13 VAL 140 3HG1 VAL 140 1.229 11.772 7.165 1171 HG21 VAL 140 3HG2 VAL 140 1.159 8.108 8.001 1172 HG22 VAL 140 1HG2 VAL 140 1.717 8.210 6.330 1173 HG23 VAL 140 2HG2 VAL 140 0.065 7.701 6.679 1174 H SER 141 H SER 141 -2.575 11.283 6.440 1175 HA SER 141 HA SER 141 -1.778 13.947 7.348 1176 HG SER 141 HG SER 141 -3.646 12.162 4.647 1177 HB2 SER 141 2HB SER 141 -3.341 14.776 5.605 1178 HB3 SER 141 3HB SER 141 -2.135 13.668 4.954 1179 H ALA 142 H ALA 142 -4.719 11.930 7.329 1180 HA ALA 142 HA ALA 142 -6.153 13.981 8.849 1181 HB1 ALA 142 3HB ALA 142 -7.185 13.012 6.828 1182 HB2 ALA 142 1HB ALA 142 -8.166 12.781 8.277 1183 HB3 ALA 142 2HB ALA 142 -7.222 11.440 7.627 1184 H PHE 143 H PHE 143 -4.154 11.686 9.935 1185 HA PHE 143 HA PHE 143 -5.685 10.118 11.705 1186 HD1 PHE 143 HD1 PHE 143 -2.879 11.316 14.467 1187 HD2 PHE 143 HD2 PHE 143 -1.836 11.514 10.341 1188 HE1 PHE 143 HE1 PHE 143 -1.118 12.947 14.992 1189 HE2 PHE 143 HE2 PHE 143 -0.080 13.152 10.867 1190 HZ PHE 143 HZ PHE 143 0.285 13.868 13.194 1191 HB2 PHE 143 2HB PHE 143 -3.650 9.622 12.885 1192 HB3 PHE 143 3HB PHE 143 -3.257 9.734 11.176 1193 H THR 144 H THR 144 -4.604 13.420 11.948 1194 HA THR 144 HA THR 144 -5.154 13.623 14.799 1195 HB THR 144 HB THR 144 -3.218 14.802 13.854 1196 HG1 THR 144 HG1 THR 144 -3.707 15.969 15.556 1197 HG21 THR 144 3HG2 THR 144 -3.521 16.784 12.438 1198 HG22 THR 144 1HG2 THR 144 -5.257 16.472 12.367 1199 HG23 THR 144 2HG2 THR 144 -4.125 15.333 11.639 1200 H SER 145 H SER 145 -7.016 13.875 12.007 1201 HA SER 145 HA SER 145 -8.888 15.793 13.254 1202 HG SER 145 HG SER 145 -7.760 17.017 10.049 1203 HB2 SER 145 2HB SER 145 -8.650 15.020 10.326 1204 HB3 SER 145 3HB SER 145 -9.805 16.174 10.993 1205 H ALA 146 H ALA 146 -9.769 14.129 14.593 1206 HA ALA 146 HA ALA 146 -12.086 12.872 13.627 1207 HB1 ALA 146 3HB ALA 146 -9.822 10.924 14.096 1208 HB2 ALA 146 1HB ALA 146 -10.479 11.352 12.516 1209 HB3 ALA 146 2HB ALA 146 -11.491 10.519 13.696 1210 H GLY 147 H GLY 147 -9.514 12.838 16.035 1211 HA2 GLY 147 2HA GLY 147 -10.432 13.537 18.310 1212 HA3 GLY 147 3HA GLY 147 -11.470 12.129 18.138 1213 H LEU 148 H LEU 148 -8.379 13.274 19.083 1214 HA LEU 148 HA LEU 148 -7.017 10.726 18.944 1215 HG LEU 148 HG LEU 148 -4.726 11.308 20.903 1216 HB2 LEU 148 2HB LEU 148 -5.911 12.964 18.662 1217 HB3 LEU 148 3HB LEU 148 -6.173 13.257 20.370 1218 HD11 LEU 148 1HD1 LEU 148 -4.228 11.232 17.926 1219 HD12 LEU 148 2HD1 LEU 148 -5.063 10.005 18.878 1220 HD13 LEU 148 3HD1 LEU 148 -3.347 10.308 19.143 1221 HD21 LEU 148 3HD2 LEU 148 -2.594 12.364 20.264 1222 HD22 LEU 148 1HD2 LEU 148 -3.761 13.539 20.875 1223 HD23 LEU 148 2HD2 LEU 148 -3.461 13.413 19.141 1224 H GLU 149 H GLU 149 -9.417 10.591 20.502 1225 HA GLU 149 HA GLU 149 -8.832 10.756 23.298 1226 HB2 GLU 149 2HB GLU 149 -11.080 9.315 21.876 1227 HB3 GLU 149 3HB GLU 149 -10.996 9.607 23.607 1228 HG2 GLU 149 2HG GLU 149 -10.998 12.047 23.134 1229 HG3 GLU 149 3HG GLU 149 -11.260 11.669 21.429 1230 H HIS 150 H HIS 150 -8.208 8.327 20.925 1231 HA HIS 150 HA HIS 150 -7.534 6.139 21.005 1232 HD1 HIS 150 HD1 HIS 150 -4.236 5.730 21.507 1233 HD2 HIS 150 HD2 HIS 150 -5.657 9.266 23.158 1234 HE1 HIS 150 HE1 HIS 150 -2.480 7.452 21.016 1235 HE2 HIS 150 HE2 HIS 150 -3.260 9.519 22.218 1236 HB2 HIS 150 2HB HIS 150 -6.842 6.774 23.896 1237 HB3 HIS 150 3HB HIS 150 -6.262 5.388 22.985 1238 H HIS 151 H HIS 151 -10.254 6.563 21.311 1239 HA HIS 151 HA HIS 151 -11.196 5.240 23.730 1240 HD1 HIS 151 HD1 HIS 151 -13.940 8.081 24.343 1241 HD2 HIS 151 HD2 HIS 151 -14.341 4.115 23.172 1242 HE1 HIS 151 HE1 HIS 151 -15.907 7.203 25.617 1243 HE2 HIS 151 HE2 HIS 151 -16.253 4.878 24.735 1244 HB2 HIS 151 2HB HIS 151 -12.150 7.414 22.787 1245 HB3 HIS 151 3HB HIS 151 -12.893 6.437 21.531 1246 H HIS 152 H HIS 152 -10.100 3.216 22.678 1247 HA HIS 152 HA HIS 152 -12.093 1.322 22.406 1248 HD1 HIS 152 HD1 HIS 152 -10.752 4.016 19.257 1249 HD2 HIS 152 HD2 HIS 152 -9.663 0.046 18.714 1250 HE1 HIS 152 HE1 HIS 152 -8.917 4.050 17.550 1251 HE2 HIS 152 HE2 HIS 152 -8.477 1.624 17.051 1252 HB2 HIS 152 2HB HIS 152 -11.988 0.565 20.099 1253 HB3 HIS 152 3HB HIS 152 -12.491 2.246 20.142 1254 H HIS 153 H HIS 153 -11.250 -0.884 21.946 1255 HA HIS 153 HA HIS 153 -8.943 -1.388 23.422 1256 HD1 HIS 153 HD1 HIS 153 -12.552 -3.088 21.437 1257 HD2 HIS 153 HD2 HIS 153 -8.860 -3.973 19.747 1258 HE1 HIS 153 HE1 HIS 153 -13.049 -3.856 19.103 1259 HE2 HIS 153 HE2 HIS 153 -10.798 -4.266 18.062 1260 HB2 HIS 153 2HB HIS 153 -9.137 -3.716 22.625 1261 HB3 HIS 153 3HB HIS 153 -10.689 -3.060 23.128 1262 H HIS 154 H HIS 154 -6.833 -1.939 22.919 1263 HA HIS 154 HA HIS 154 -5.762 -0.717 20.548 1264 HD1 HIS 154 HD1 HIS 154 -5.140 -0.993 24.784 1265 HD2 HIS 154 HD2 HIS 154 -3.921 1.471 21.665 1266 HE1 HIS 154 HE1 HIS 154 -5.103 1.326 25.733 1267 HE2 HIS 154 HE2 HIS 154 -4.190 2.764 23.887 1268 HB2 HIS 154 2HB HIS 154 -4.408 -2.291 22.753 1269 HB3 HIS 154 3HB HIS 154 -3.563 -1.400 21.490 1270 H HIS 155 H HIS 155 -5.985 -4.066 21.738 1271 HA HIS 155 HA HIS 155 -5.767 -5.027 18.988 1272 HD1 HIS 155 HD1 HIS 155 -3.683 -5.917 17.377 1273 HD2 HIS 155 HD2 HIS 155 -3.700 -8.717 20.448 1274 HE1 HIS 155 HE1 HIS 155 -3.151 -8.114 16.287 1275 HE2 HIS 155 HE2 HIS 155 -3.007 -9.757 18.182 1276 HB2 HIS 155 2HB HIS 155 -3.443 -4.964 19.914 1277 HB3 HIS 155 3HB HIS 155 -3.947 -6.097 21.162 Start of MODEL 7 1 HA MET 1 HA MET 1 -7.610 28.131 20.220 2 H1 MET 1 1H MET 1 -8.211 25.240 20.467 3 H2 MET 1 2H MET 1 -9.167 26.382 19.674 4 H3 MET 1 3H MET 1 -8.948 26.484 21.345 5 HB2 MET 1 2HB MET 1 -6.030 25.856 21.449 6 HB3 MET 1 3HB MET 1 -5.394 27.473 21.175 7 HG2 MET 1 2HG MET 1 -7.705 26.764 22.975 8 HG3 MET 1 3HG MET 1 -6.065 27.155 23.493 9 HE1 MET 1 3HE MET 1 -8.659 28.643 24.646 10 HE2 MET 1 1HE MET 1 -8.067 30.304 24.661 11 HE3 MET 1 2HE MET 1 -7.002 28.985 25.148 12 H GLY 2 H GLY 2 -6.885 28.642 18.245 13 HA2 GLY 2 2HA GLY 2 -5.606 28.517 16.315 14 HA3 GLY 2 3HA GLY 2 -5.017 26.947 16.833 15 H PHE 3 H PHE 3 -6.546 28.347 14.387 16 HA PHE 3 HA PHE 3 -8.358 26.077 13.860 17 HD1 PHE 3 HD1 PHE 3 -10.927 26.554 13.855 18 HD2 PHE 3 HD2 PHE 3 -8.986 30.328 14.250 19 HE1 PHE 3 HE1 PHE 3 -12.623 27.254 15.494 20 HE2 PHE 3 HE2 PHE 3 -10.680 31.029 15.889 21 HZ PHE 3 HZ PHE 3 -12.500 29.492 16.514 22 HB2 PHE 3 2HB PHE 3 -8.260 28.838 12.612 23 HB3 PHE 3 3HB PHE 3 -9.327 27.547 12.073 24 H LYS 4 H LYS 4 -7.655 24.567 12.469 25 HA LYS 4 HA LYS 4 -5.386 25.112 10.718 26 HB2 LYS 4 2HB LYS 4 -6.964 22.565 11.175 27 HB3 LYS 4 3HB LYS 4 -5.508 22.692 10.196 28 HG2 LYS 4 2HG LYS 4 -4.206 23.291 12.161 29 HG3 LYS 4 3HG LYS 4 -5.664 23.255 13.157 30 HD2 LYS 4 2HD LYS 4 -4.402 21.192 13.437 31 HD3 LYS 4 3HD LYS 4 -5.941 20.859 12.640 32 HE2 LYS 4 2HE LYS 4 -4.201 19.602 11.544 33 HE3 LYS 4 3HE LYS 4 -4.758 20.872 10.456 34 HZ1 LYS 4 3HZ LYS 4 -2.826 22.211 11.218 35 HZ2 LYS 4 1HZ LYS 4 -2.397 20.808 10.381 36 HZ3 LYS 4 2HZ LYS 4 -2.268 20.864 12.067 37 H LEU 5 H LEU 5 -6.053 26.352 9.010 38 HA LEU 5 HA LEU 5 -8.571 26.017 7.706 39 HG LEU 5 HG LEU 5 -7.471 29.565 7.287 40 HB2 LEU 5 2HB LEU 5 -6.095 27.514 6.820 41 HB3 LEU 5 3HB LEU 5 -7.640 27.582 6.001 42 HD11 LEU 5 1HD1 LEU 5 -9.218 27.645 8.824 43 HD12 LEU 5 2HD1 LEU 5 -9.667 28.496 7.347 44 HD13 LEU 5 3HD1 LEU 5 -9.349 29.406 8.823 45 HD21 LEU 5 3HD2 LEU 5 -6.822 27.869 9.700 46 HD22 LEU 5 1HD2 LEU 5 -6.989 29.625 9.667 47 HD23 LEU 5 2HD2 LEU 5 -5.671 28.850 8.793 48 H ARG 6 H ARG 6 -9.036 24.257 6.533 49 HA ARG 6 HA ARG 6 -6.920 23.087 4.839 50 HE ARG 6 HE ARG 6 -8.095 18.039 3.698 51 HB2 ARG 6 2HB ARG 6 -8.070 21.643 6.563 52 HB3 ARG 6 3HB ARG 6 -9.550 21.813 5.626 53 HG2 ARG 6 2HG ARG 6 -8.555 20.678 3.746 54 HG3 ARG 6 3HG ARG 6 -6.983 20.646 4.547 55 HD2 ARG 6 2HD ARG 6 -8.035 19.284 6.372 56 HD3 ARG 6 3HD ARG 6 -9.496 19.199 5.392 57 HH11 ARG 6 1HH1 ARG 6 -7.089 18.064 6.995 58 HH12 ARG 6 2HH1 ARG 6 -6.232 16.568 6.855 59 HH21 ARG 6 1HH2 ARG 6 -6.996 16.105 3.545 60 HH22 ARG 6 2HH2 ARG 6 -6.189 15.475 4.940 61 H GLY 7 H GLY 7 -6.970 23.921 2.846 62 HA2 GLY 7 2HA GLY 7 -9.574 24.042 1.441 63 HA3 GLY 7 3HA GLY 7 -8.477 25.413 1.394 64 H GLN 8 H GLN 8 -6.762 22.502 1.413 65 HA GLN 8 HA GLN 8 -6.472 22.591 -1.531 66 HB2 GLN 8 2HB GLN 8 -4.558 21.412 0.503 67 HB3 GLN 8 3HB GLN 8 -4.270 21.600 -1.222 68 HG2 GLN 8 2HG GLN 8 -4.372 24.045 -0.956 69 HG3 GLN 8 3HG GLN 8 -4.621 23.829 0.777 70 HE21 GLN 8 1HE2 GLN 8 -2.323 23.579 -1.838 71 HE22 GLN 8 2HE2 GLN 8 -0.920 23.451 -0.845 72 H VAL 9 H VAL 9 -5.304 20.113 -1.961 73 HA VAL 9 HA VAL 9 -7.519 18.350 -1.938 74 HB VAL 9 HB VAL 9 -5.878 18.155 -3.694 75 HG11 VAL 9 1HG1 VAL 9 -3.883 17.309 -1.588 76 HG12 VAL 9 2HG1 VAL 9 -3.886 18.854 -2.439 77 HG13 VAL 9 3HG1 VAL 9 -3.605 17.356 -3.328 78 HG21 VAL 9 3HG2 VAL 9 -5.487 15.741 -3.684 79 HG22 VAL 9 1HG2 VAL 9 -7.103 16.121 -3.087 80 HG23 VAL 9 2HG2 VAL 9 -5.824 15.682 -1.954 81 H SER 10 H SER 10 -4.481 18.294 -0.048 82 HA SER 10 HA SER 10 -5.791 17.190 2.259 83 HG SER 10 HG SER 10 -6.493 15.452 0.850 84 HB2 SER 10 2HB SER 10 -3.898 15.438 0.666 85 HB3 SER 10 3HB SER 10 -4.225 15.165 2.375 86 H GLU 11 H GLU 11 -4.858 18.287 3.894 87 HA GLU 11 HA GLU 11 -1.989 18.946 3.681 88 HB2 GLU 11 2HB GLU 11 -4.145 20.410 5.220 89 HB3 GLU 11 3HB GLU 11 -2.442 20.843 5.192 90 HG2 GLU 11 2HG GLU 11 -3.116 22.269 3.587 91 HG3 GLU 11 3HG GLU 11 -2.931 20.856 2.554 92 H LEU 12 H LEU 12 -0.885 19.293 5.782 93 HA LEU 12 HA LEU 12 -1.796 17.826 8.087 94 HG LEU 12 HG LEU 12 -0.217 16.689 5.048 95 HB2 LEU 12 2HB LEU 12 0.504 16.491 7.980 96 HB3 LEU 12 3HB LEU 12 -0.965 15.870 7.259 97 HD11 LEU 12 1HD1 LEU 12 1.196 18.541 5.756 98 HD12 LEU 12 2HD1 LEU 12 2.082 17.427 4.715 99 HD13 LEU 12 3HD1 LEU 12 2.350 17.408 6.460 100 HD21 LEU 12 3HD2 LEU 12 1.747 14.879 6.455 101 HD22 LEU 12 1HD2 LEU 12 1.543 15.022 4.707 102 HD23 LEU 12 2HD2 LEU 12 0.228 14.393 5.700 103 HA PRO 13 HA PRO 13 0.712 20.836 10.115 104 HB2 PRO 13 2HB PRO 13 1.468 19.599 12.412 105 HB3 PRO 13 3HB PRO 13 -0.194 20.112 12.100 106 HG2 PRO 13 2HG PRO 13 1.033 17.389 11.816 107 HG3 PRO 13 3HG PRO 13 -0.531 17.844 12.522 108 HD2 PRO 13 2HD PRO 13 -0.290 16.853 10.003 109 HD3 PRO 13 3HD PRO 13 -1.553 18.016 10.456 110 H PHE 14 H PHE 14 2.293 17.643 10.028 111 HA PHE 14 HA PHE 14 4.935 18.800 10.252 112 HD1 PHE 14 HD2 PHE 14 4.212 15.059 8.097 113 HD2 PHE 14 HD1 PHE 14 2.771 15.957 12.003 114 HE1 PHE 14 HE2 PHE 14 2.445 13.369 7.836 115 HE2 PHE 14 HE1 PHE 14 1.006 14.265 11.744 116 HZ PHE 14 HZ PHE 14 0.840 12.971 9.659 117 HB2 PHE 14 2HB PHE 14 5.586 16.309 9.728 118 HB3 PHE 14 3HB PHE 14 4.925 16.743 11.298 119 H GLU 15 H GLU 15 5.638 19.937 8.561 120 HA GLU 15 HA GLU 15 4.882 19.237 5.847 121 HB2 GLU 15 2HB GLU 15 6.572 21.518 6.895 122 HB3 GLU 15 3HB GLU 15 6.030 21.338 5.231 123 HG2 GLU 15 2HG GLU 15 3.711 21.533 5.942 124 HG3 GLU 15 3HG GLU 15 4.222 21.661 7.624 125 H ARG 16 H ARG 16 7.598 18.672 7.893 126 HA ARG 16 HA ARG 16 9.143 17.720 5.553 127 HE ARG 16 HE ARG 16 9.676 22.177 5.141 128 HB2 ARG 16 2HB ARG 16 10.300 18.730 8.164 129 HB3 ARG 16 3HB ARG 16 11.204 18.217 6.743 130 HG2 ARG 16 2HG ARG 16 9.359 20.604 6.881 131 HG3 ARG 16 3HG ARG 16 11.121 20.657 6.955 132 HD2 ARG 16 2HD ARG 16 11.312 19.872 4.703 133 HD3 ARG 16 3HD ARG 16 9.587 19.503 4.621 134 HH11 ARG 16 1HH1 ARG 16 11.140 20.219 2.721 135 HH12 ARG 16 2HH1 ARG 16 10.996 21.434 1.501 136 HH21 ARG 16 1HH2 ARG 16 9.545 23.742 3.574 137 HH22 ARG 16 2HH2 ARG 16 10.109 23.394 1.975 138 H VAL 17 H VAL 17 9.006 15.570 5.481 139 HA VAL 17 HA VAL 17 9.048 14.041 8.015 140 HB VAL 17 HB VAL 17 7.654 12.327 6.928 141 HG11 VAL 17 1HG1 VAL 17 6.414 15.081 6.824 142 HG12 VAL 17 2HG1 VAL 17 6.598 14.088 8.270 143 HG13 VAL 17 3HG1 VAL 17 5.545 13.552 6.960 144 HG21 VAL 17 3HG2 VAL 17 8.290 12.712 4.602 145 HG22 VAL 17 1HG2 VAL 17 7.488 14.284 4.628 146 HG23 VAL 17 2HG2 VAL 17 6.539 12.806 4.788 147 H TYR 18 H TYR 18 9.595 11.658 7.614 148 HA TYR 18 HA TYR 18 11.583 11.219 5.512 149 HD1 TYR 18 HD1 TYR 18 14.094 10.936 5.258 150 HD2 TYR 18 HD2 TYR 18 13.408 9.078 9.030 151 HE1 TYR 18 HE1 TYR 18 15.919 9.354 4.807 152 HE2 TYR 18 HE2 TYR 18 15.231 7.489 8.584 153 HH TYR 18 HH TYR 18 17.463 7.928 6.051 154 HB2 TYR 18 2HB TYR 18 12.908 12.109 7.354 155 HB3 TYR 18 3HB TYR 18 12.174 10.971 8.477 156 H ILE 19 H ILE 19 12.010 8.968 5.115 157 HA ILE 19 HA ILE 19 10.053 7.133 6.360 158 HB ILE 19 HB ILE 19 9.575 7.559 3.979 159 HG12 ILE 19 2HG1 ILE 19 10.604 4.755 4.526 160 HG13 ILE 19 3HG1 ILE 19 9.005 5.362 4.937 161 HG21 ILE 19 1HG2 ILE 19 12.319 6.392 3.477 162 HG22 ILE 19 2HG2 ILE 19 11.834 8.068 3.216 163 HG23 ILE 19 3HG2 ILE 19 11.128 6.785 2.234 164 HD11 ILE 19 3HD1 ILE 19 8.507 5.639 2.558 165 HD12 ILE 19 1HD1 ILE 19 8.934 3.973 2.953 166 HD13 ILE 19 2HD1 ILE 19 10.109 5.020 2.156 167 H THR 20 H THR 20 10.715 5.064 6.927 168 HA THR 20 HA THR 20 13.457 4.237 6.302 169 HB THR 20 HB THR 20 13.776 5.181 8.481 170 HG1 THR 20 HG1 THR 20 13.590 2.560 9.341 171 HG21 THR 20 3HG2 THR 20 12.509 4.457 10.458 172 HG22 THR 20 1HG2 THR 20 11.465 3.475 9.429 173 HG23 THR 20 2HG2 THR 20 11.462 5.232 9.269 174 H ALA 21 H ALA 21 13.397 2.290 5.436 175 HA ALA 21 HA ALA 21 11.265 0.403 6.232 176 HB1 ALA 21 3HB ALA 21 11.218 -0.418 3.922 177 HB2 ALA 21 1HB ALA 21 12.426 0.787 3.468 178 HB3 ALA 21 2HB ALA 21 10.823 1.299 4.001 179 HA PRO 22 HA PRO 22 14.618 -2.352 7.177 180 HB2 PRO 22 2HB PRO 22 13.288 -4.700 7.311 181 HB3 PRO 22 3HB PRO 22 13.077 -3.427 8.519 182 HG2 PRO 22 2HG PRO 22 11.344 -4.099 6.159 183 HG3 PRO 22 3HG PRO 22 10.866 -3.736 7.828 184 HD2 PRO 22 2HD PRO 22 10.762 -1.890 5.835 185 HD3 PRO 22 3HD PRO 22 11.074 -1.456 7.528 186 H ALA 23 H ALA 23 12.811 -2.666 4.241 187 HA ALA 23 HA ALA 23 15.049 -3.947 2.918 188 HB1 ALA 23 3HB ALA 23 13.808 -5.873 3.822 189 HB2 ALA 23 1HB ALA 23 13.793 -5.849 2.059 190 HB3 ALA 23 2HB ALA 23 12.365 -5.340 2.961 191 H GLY 24 H GLY 24 14.652 -4.173 0.520 192 HA2 GLY 24 2HA GLY 24 13.574 -1.727 -0.503 193 HA3 GLY 24 3HA GLY 24 14.239 -3.045 -1.454 194 H LEU 25 H LEU 25 11.354 -1.912 0.221 195 HA LEU 25 HA LEU 25 9.684 -3.853 -1.227 196 HG LEU 25 HG LEU 25 10.546 -3.815 1.760 197 HB2 LEU 25 2HB LEU 25 8.986 -1.992 1.054 198 HB3 LEU 25 3HB LEU 25 7.927 -3.211 0.367 199 HD11 LEU 25 1HD1 LEU 25 8.951 -2.888 3.341 200 HD12 LEU 25 2HD1 LEU 25 9.171 -4.615 3.624 201 HD13 LEU 25 3HD1 LEU 25 7.721 -4.033 2.802 202 HD21 LEU 25 3HD2 LEU 25 8.315 -5.644 0.857 203 HD22 LEU 25 1HD2 LEU 25 9.755 -6.127 1.754 204 HD23 LEU 25 2HD2 LEU 25 9.909 -5.505 0.113 205 H THR 26 H THR 26 8.174 -3.271 -2.711 206 HA THR 26 HA THR 26 8.400 -0.966 -4.230 207 HB THR 26 HB THR 26 6.205 -1.545 -5.220 208 HG1 THR 26 HG1 THR 26 4.826 -2.818 -4.180 209 HG21 THR 26 3HG2 THR 26 7.936 -3.968 -4.666 210 HG22 THR 26 1HG2 THR 26 8.202 -2.785 -5.948 211 HG23 THR 26 2HG2 THR 26 6.766 -3.809 -5.977 212 H ILE 27 H ILE 27 6.236 -1.607 -1.522 213 HA ILE 27 HA ILE 27 4.403 0.406 -1.658 214 HB ILE 27 HB ILE 27 4.395 -1.344 0.062 215 HG12 ILE 27 2HG1 ILE 27 3.703 0.107 2.022 216 HG13 ILE 27 3HG1 ILE 27 4.261 1.502 1.103 217 HG21 ILE 27 1HG2 ILE 27 6.590 0.240 1.406 218 HG22 ILE 27 2HG2 ILE 27 6.772 -1.334 0.631 219 HG23 ILE 27 3HG2 ILE 27 5.771 -1.173 2.073 220 HD11 ILE 27 3HD1 ILE 27 1.869 1.248 0.911 221 HD12 ILE 27 1HD1 ILE 27 2.067 -0.399 0.311 222 HD13 ILE 27 2HD1 ILE 27 2.632 0.968 -0.654 223 H GLY 28 H GLY 28 7.708 0.724 -0.341 224 HA2 GLY 28 2HA GLY 28 7.342 3.397 0.603 225 HA3 GLY 28 3HA GLY 28 8.873 2.557 0.436 226 H SER 29 H SER 29 8.337 2.069 -2.472 227 HA SER 29 HA SER 29 9.700 4.354 -3.460 228 HG SER 29 HG SER 29 10.226 2.979 -6.443 229 HB2 SER 29 2HB SER 29 10.018 2.169 -4.489 230 HB3 SER 29 3HB SER 29 8.324 2.118 -4.973 231 H ASP 30 H ASP 30 6.336 3.246 -3.919 232 HA ASP 30 HA ASP 30 5.575 5.597 -5.386 233 HB2 ASP 30 2HB ASP 30 3.892 3.454 -4.062 234 HB3 ASP 30 3HB ASP 30 3.258 4.716 -5.113 235 H LEU 31 H LEU 31 5.592 4.647 -2.036 236 HA LEU 31 HA LEU 31 3.690 6.325 -0.920 237 HG LEU 31 HG LEU 31 5.253 7.146 1.707 238 HB2 LEU 31 2HB LEU 31 4.843 4.513 0.271 239 HB3 LEU 31 3HB LEU 31 6.323 5.450 0.273 240 HD11 LEU 31 1HD1 LEU 31 2.885 5.277 1.667 241 HD12 LEU 31 2HD1 LEU 31 2.951 6.905 0.997 242 HD13 LEU 31 3HD1 LEU 31 3.070 6.665 2.739 243 HD21 LEU 31 3HD2 LEU 31 6.505 5.324 2.737 244 HD22 LEU 31 1HD2 LEU 31 5.048 4.329 2.785 245 HD23 LEU 31 2HD2 LEU 31 5.145 5.803 3.751 246 H GLU 32 H GLU 32 7.207 7.007 -0.890 247 HA GLU 32 HA GLU 32 6.975 9.597 0.112 248 HB2 GLU 32 2HB GLU 32 9.182 8.469 -1.618 249 HB3 GLU 32 3HB GLU 32 9.299 9.918 -0.625 250 HG2 GLU 32 2HG GLU 32 8.959 7.078 0.307 251 HG3 GLU 32 3HG GLU 32 10.354 8.124 0.535 252 H ARG 33 H ARG 33 6.445 8.495 -3.122 253 HA ARG 33 HA ARG 33 6.714 11.026 -4.427 254 HE ARG 33 HE ARG 33 8.246 6.439 -6.455 255 HB2 ARG 33 2HB ARG 33 4.878 8.763 -5.248 256 HB3 ARG 33 3HB ARG 33 5.527 10.033 -6.276 257 HG2 ARG 33 2HG ARG 33 7.767 9.112 -6.027 258 HG3 ARG 33 3HG ARG 33 7.143 7.862 -4.947 259 HD2 ARG 33 2HD ARG 33 5.591 7.224 -6.893 260 HD3 ARG 33 3HD ARG 33 6.654 8.215 -7.896 261 HH11 ARG 33 1HH1 ARG 33 5.842 6.323 -8.926 262 HH12 ARG 33 2HH1 ARG 33 6.433 4.836 -9.578 263 HH21 ARG 33 1HH2 ARG 33 8.993 4.525 -7.309 264 HH22 ARG 33 2HH2 ARG 33 8.199 3.840 -8.683 265 H VAL 34 H VAL 34 3.819 9.173 -3.469 266 HA VAL 34 HA VAL 34 1.935 11.171 -3.986 267 HB VAL 34 HB VAL 34 1.759 8.902 -1.987 268 HG11 VAL 34 1HG1 VAL 34 -0.682 9.123 -2.242 269 HG12 VAL 34 2HG1 VAL 34 -0.441 10.553 -3.244 270 HG13 VAL 34 3HG1 VAL 34 0.042 10.574 -1.548 271 HG21 VAL 34 3HG2 VAL 34 2.257 8.133 -4.255 272 HG22 VAL 34 1HG2 VAL 34 0.886 9.049 -4.882 273 HG23 VAL 34 2HG2 VAL 34 0.616 7.691 -3.790 274 H ILE 35 H ILE 35 3.681 10.450 -0.962 275 HA ILE 35 HA ILE 35 2.343 12.323 0.671 276 HB ILE 35 HB ILE 35 5.175 11.278 0.872 277 HG12 ILE 35 2HG1 ILE 35 2.605 10.443 2.256 278 HG13 ILE 35 3HG1 ILE 35 3.483 9.519 1.042 279 HG21 ILE 35 1HG2 ILE 35 5.134 12.028 3.211 280 HG22 ILE 35 2HG2 ILE 35 3.555 12.766 2.947 281 HG23 ILE 35 3HG2 ILE 35 4.970 13.383 2.095 282 HD11 ILE 35 3HD1 ILE 35 4.476 10.210 3.799 283 HD12 ILE 35 1HD1 ILE 35 5.371 9.298 2.584 284 HD13 ILE 35 2HD1 ILE 35 3.881 8.640 3.262 285 H SER 36 H SER 36 5.202 12.681 -1.411 286 HA SER 36 HA SER 36 5.695 15.392 -0.537 287 HG SER 36 HG SER 36 7.217 16.423 -1.980 288 HB2 SER 36 2HB SER 36 7.563 13.947 -1.207 289 HB3 SER 36 3HB SER 36 6.905 13.835 -2.838 290 H THR 37 H THR 37 3.790 13.920 -3.013 291 HA THR 37 HA THR 37 3.650 16.388 -4.598 292 HB THR 37 HB THR 37 2.331 15.026 -6.212 293 HG1 THR 37 HG1 THR 37 2.637 12.610 -5.657 294 HG21 THR 37 3HG2 THR 37 4.975 13.777 -5.420 295 HG22 THR 37 1HG2 THR 37 4.780 15.203 -6.442 296 HG23 THR 37 2HG2 THR 37 4.189 13.635 -6.993 297 H HIS 38 H HIS 38 1.338 14.075 -3.128 298 HA HIS 38 HA HIS 38 -0.916 15.770 -3.628 299 HD1 HIS 38 HD1 HIS 38 -3.375 12.443 -3.630 300 HD2 HIS 38 HD2 HIS 38 0.475 13.182 -5.000 301 HE1 HIS 38 HE1 HIS 38 -3.195 11.236 -5.819 302 HE2 HIS 38 HE2 HIS 38 -0.798 11.523 -6.516 303 HB2 HIS 38 2HB HIS 38 -0.635 13.290 -1.920 304 HB3 HIS 38 3HB HIS 38 -2.162 14.116 -2.206 305 H THR 39 H THR 39 0.875 14.952 -0.625 306 HA THR 39 HA THR 39 -0.542 17.138 0.747 307 HB THR 39 HB THR 39 0.789 16.257 2.795 308 HG1 THR 39 HG1 THR 39 2.177 14.860 1.581 309 HG21 THR 39 3HG2 THR 39 -1.611 15.992 2.587 310 HG22 THR 39 1HG2 THR 39 -0.897 14.514 3.230 311 HG23 THR 39 2HG2 THR 39 -1.392 14.590 1.539 312 H ARG 40 H ARG 40 0.792 18.495 2.251 313 HA ARG 40 HA ARG 40 2.795 19.834 0.727 314 HE ARG 40 HE ARG 40 4.782 21.126 0.735 315 HB2 ARG 40 2HB ARG 40 1.192 20.988 2.227 316 HB3 ARG 40 3HB ARG 40 1.982 20.256 3.613 317 HG2 ARG 40 2HG ARG 40 2.710 22.538 3.378 318 HG3 ARG 40 3HG ARG 40 4.061 21.458 3.036 319 HD2 ARG 40 2HD ARG 40 2.324 22.713 0.908 320 HD3 ARG 40 3HD ARG 40 3.840 23.413 1.470 321 HH11 ARG 40 1HH1 ARG 40 2.251 22.852 -0.860 322 HH12 ARG 40 2HH1 ARG 40 2.605 22.149 -2.401 323 HH21 ARG 40 1HH2 ARG 40 5.194 20.215 -1.237 324 HH22 ARG 40 2HH2 ARG 40 4.222 20.645 -2.603 325 H ALA 41 H ALA 41 2.994 17.187 2.820 326 HA ALA 41 HA ALA 41 5.391 17.705 4.213 327 HB1 ALA 41 3HB ALA 41 4.196 15.040 3.461 328 HB2 ALA 41 1HB ALA 41 3.806 15.978 4.903 329 HB3 ALA 41 2HB ALA 41 5.428 15.315 4.693 330 H LYS 42 H LYS 42 7.109 18.376 2.996 331 HA LYS 42 HA LYS 42 8.039 16.859 0.705 332 HB2 LYS 42 2HB LYS 42 8.294 19.434 1.204 333 HB3 LYS 42 3HB LYS 42 9.692 18.933 2.139 334 HG2 LYS 42 2HG LYS 42 9.272 18.377 -0.803 335 HG3 LYS 42 3HG LYS 42 10.260 19.678 -0.143 336 HD2 LYS 42 2HD LYS 42 11.729 18.016 0.921 337 HD3 LYS 42 3HD LYS 42 10.735 16.714 0.263 338 HE2 LYS 42 2HE LYS 42 11.264 17.553 -2.026 339 HE3 LYS 42 3HE LYS 42 12.362 18.724 -1.298 340 HZ1 LYS 42 3HZ LYS 42 13.600 16.830 -2.025 341 HZ2 LYS 42 1HZ LYS 42 12.589 15.764 -1.185 342 HZ3 LYS 42 2HZ LYS 42 13.590 16.832 -0.336 343 H VAL 43 H VAL 43 9.448 15.192 0.777 344 HA VAL 43 HA VAL 43 10.214 14.169 3.381 345 HB VAL 43 HB VAL 43 10.625 12.975 0.629 346 HG11 VAL 43 1HG1 VAL 43 12.197 12.055 2.227 347 HG12 VAL 43 2HG1 VAL 43 10.961 10.856 1.841 348 HG13 VAL 43 3HG1 VAL 43 10.893 11.737 3.370 349 HG21 VAL 43 3HG2 VAL 43 8.477 12.433 2.689 350 HG22 VAL 43 1HG2 VAL 43 8.679 11.581 1.158 351 HG23 VAL 43 2HG2 VAL 43 8.257 13.292 1.165 352 H VAL 44 H VAL 44 12.213 14.111 4.249 353 HA VAL 44 HA VAL 44 14.429 15.345 2.765 354 HB VAL 44 HB VAL 44 15.589 15.401 4.988 355 HG11 VAL 44 1HG1 VAL 44 14.368 17.349 4.156 356 HG12 VAL 44 2HG1 VAL 44 14.254 17.228 5.911 357 HG13 VAL 44 3HG1 VAL 44 12.886 16.751 4.905 358 HG21 VAL 44 3HG2 VAL 44 14.413 13.524 6.043 359 HG22 VAL 44 1HG2 VAL 44 12.917 14.459 6.048 360 HG23 VAL 44 2HG2 VAL 44 14.292 14.987 7.021 361 H ASN 45 H ASN 45 16.660 14.429 3.389 362 HA ASN 45 HA ASN 45 16.724 11.695 2.448 363 HB2 ASN 45 2HB ASN 45 18.260 13.407 1.561 364 HB3 ASN 45 3HB ASN 45 18.976 13.596 3.156 365 HD21 ASN 45 1HD2 ASN 45 21.011 12.983 2.567 366 HD22 ASN 45 2HD2 ASN 45 21.416 11.375 2.089 367 H LYS 46 H LYS 46 16.941 13.216 5.542 368 HA LYS 46 HA LYS 46 17.810 10.714 6.787 369 HB2 LYS 46 2HB LYS 46 19.562 11.780 8.091 370 HB3 LYS 46 3HB LYS 46 19.881 11.986 6.376 371 HG2 LYS 46 2HG LYS 46 18.574 14.111 8.068 372 HG3 LYS 46 3HG LYS 46 20.318 13.990 7.845 373 HD2 LYS 46 2HD LYS 46 19.967 14.211 5.388 374 HD3 LYS 46 3HD LYS 46 18.243 14.448 5.691 375 HE2 LYS 46 2HE LYS 46 18.651 16.481 6.876 376 HE3 LYS 46 3HE LYS 46 20.392 16.196 6.895 377 HZ1 LYS 46 3HZ LYS 46 20.344 16.387 4.443 378 HZ2 LYS 46 1HZ LYS 46 19.883 17.810 5.232 379 HZ3 LYS 46 2HZ LYS 46 18.713 16.815 4.528 380 H ALA 47 H ALA 47 17.922 11.118 9.319 381 HA ALA 47 HA ALA 47 15.360 12.399 10.037 382 HB1 ALA 47 3HB ALA 47 16.794 10.123 11.404 383 HB2 ALA 47 1HB ALA 47 15.424 9.967 10.302 384 HB3 ALA 47 2HB ALA 47 15.221 10.781 11.854 385 H GLU 48 H GLU 48 18.427 13.332 10.163 386 HA GLU 48 HA GLU 48 19.014 13.664 12.901 387 HB2 GLU 48 2HB GLU 48 20.780 15.163 12.214 388 HB3 GLU 48 3HB GLU 48 20.719 13.785 11.126 389 HG2 GLU 48 2HG GLU 48 19.504 15.179 9.482 390 HG3 GLU 48 3HG GLU 48 19.674 16.558 10.566 391 H LYS 49 H LYS 49 16.841 15.407 10.884 392 HA LYS 49 HA LYS 49 15.861 16.868 13.136 393 HB2 LYS 49 2HB LYS 49 17.840 18.262 12.371 394 HB3 LYS 49 3HB LYS 49 16.963 18.559 10.878 395 HG2 LYS 49 2HG LYS 49 16.701 20.432 12.377 396 HG3 LYS 49 3HG LYS 49 15.151 19.615 12.169 397 HD2 LYS 49 2HD LYS 49 15.406 18.500 14.311 398 HD3 LYS 49 3HD LYS 49 17.019 19.186 14.509 399 HE2 LYS 49 2HE LYS 49 15.387 20.415 15.839 400 HE3 LYS 49 3HE LYS 49 16.060 21.435 14.571 401 HZ1 LYS 49 3HZ LYS 49 13.436 20.058 14.443 402 HZ2 LYS 49 1HZ LYS 49 14.070 21.090 13.264 403 HZ3 LYS 49 2HZ LYS 49 13.658 21.696 14.791 404 H SER 50 H SER 50 13.846 15.992 12.684 405 HA SER 50 HA SER 50 12.441 17.092 10.355 406 HG SER 50 HG SER 50 12.191 13.039 10.708 407 HB2 SER 50 2HB SER 50 11.498 14.931 9.712 408 HB3 SER 50 3HB SER 50 13.259 14.855 9.654 409 H GLU 51 H GLU 51 10.021 16.201 10.481 410 HA GLU 51 HA GLU 51 9.082 16.797 13.209 411 HB2 GLU 51 2HB GLU 51 8.186 17.537 10.526 412 HB3 GLU 51 3HB GLU 51 6.872 16.929 11.521 413 HG2 GLU 51 2HG GLU 51 8.739 19.101 12.445 414 HG3 GLU 51 3HG GLU 51 7.255 19.425 11.550 415 H ALA 52 H ALA 52 8.631 14.481 10.555 416 HA ALA 52 HA ALA 52 7.600 12.529 12.469 417 HB1 ALA 52 3HB ALA 52 5.585 13.640 11.650 418 HB2 ALA 52 1HB ALA 52 5.655 11.970 11.084 419 HB3 ALA 52 2HB ALA 52 6.055 13.293 9.987 420 H ILE 53 H ILE 53 7.728 10.351 11.748 421 HA ILE 53 HA ILE 53 9.245 9.889 9.262 422 HB ILE 53 HB ILE 53 9.893 8.746 11.988 423 HG12 ILE 53 2HG1 ILE 53 11.496 10.434 10.046 424 HG13 ILE 53 3HG1 ILE 53 10.847 10.958 11.596 425 HG21 ILE 53 1HG2 ILE 53 11.631 7.412 10.885 426 HG22 ILE 53 2HG2 ILE 53 11.063 7.969 9.311 427 HG23 ILE 53 3HG2 ILE 53 10.020 6.967 10.322 428 HD11 ILE 53 3HD1 ILE 53 12.328 9.386 12.739 429 HD12 ILE 53 1HD1 ILE 53 13.223 10.532 11.740 430 HD13 ILE 53 2HD1 ILE 53 12.981 8.877 11.180 431 H ILE 54 H ILE 54 8.242 8.442 8.004 432 HA ILE 54 HA ILE 54 6.239 6.647 9.140 433 HB ILE 54 HB ILE 54 6.988 7.234 6.266 434 HG12 ILE 54 2HG1 ILE 54 4.595 8.062 6.183 435 HG13 ILE 54 3HG1 ILE 54 4.532 7.872 7.930 436 HG21 ILE 54 1HG2 ILE 54 5.070 5.799 5.631 437 HG22 ILE 54 2HG2 ILE 54 4.920 5.295 7.315 438 HG23 ILE 54 3HG2 ILE 54 6.375 4.896 6.401 439 HD11 ILE 54 3HD1 ILE 54 6.407 9.693 6.436 440 HD12 ILE 54 1HD1 ILE 54 6.278 9.537 8.189 441 HD13 ILE 54 2HD1 ILE 54 4.925 10.182 7.259 442 H GLN 55 H GLN 55 6.820 4.700 9.830 443 HA GLN 55 HA GLN 55 9.090 3.328 8.526 444 HB2 GLN 55 2HB GLN 55 9.470 3.816 10.903 445 HB3 GLN 55 3HB GLN 55 7.991 2.962 11.324 446 HG2 GLN 55 2HG GLN 55 8.963 0.870 10.483 447 HG3 GLN 55 3HG GLN 55 10.446 1.732 10.067 448 HE21 GLN 55 1HE2 GLN 55 8.487 0.495 12.667 449 HE22 GLN 55 2HE2 GLN 55 9.677 0.656 13.905 450 H ILE 56 H ILE 56 8.221 2.029 6.995 451 HA ILE 56 HA ILE 56 5.786 0.539 7.494 452 HB ILE 56 HB ILE 56 6.257 1.485 5.262 453 HG12 ILE 56 2HG1 ILE 56 4.833 -0.626 5.652 454 HG13 ILE 56 3HG1 ILE 56 5.336 -0.268 4.007 455 HG21 ILE 56 1HG2 ILE 56 8.660 1.212 5.168 456 HG22 ILE 56 2HG2 ILE 56 7.902 0.461 3.766 457 HG23 ILE 56 3HG2 ILE 56 8.483 -0.542 5.094 458 HD11 ILE 56 3HD1 ILE 56 5.520 -2.623 4.452 459 HD12 ILE 56 1HD1 ILE 56 6.560 -2.314 5.842 460 HD13 ILE 56 2HD1 ILE 56 7.127 -1.936 4.215 461 H VAL 57 H VAL 57 5.814 -1.244 8.687 462 HA VAL 57 HA VAL 57 8.264 -2.440 9.524 463 HB VAL 57 HB VAL 57 5.460 -3.477 10.012 464 HG11 VAL 57 1HG1 VAL 57 8.032 -3.875 11.549 465 HG12 VAL 57 2HG1 VAL 57 7.217 -5.081 10.552 466 HG13 VAL 57 3HG1 VAL 57 6.444 -4.485 12.021 467 HG21 VAL 57 3HG2 VAL 57 7.064 -1.461 11.598 468 HG22 VAL 57 1HG2 VAL 57 5.541 -2.185 12.115 469 HG23 VAL 57 2HG2 VAL 57 5.584 -1.147 10.693 470 H HIS 58 H HIS 58 5.530 -3.698 7.579 471 HA HIS 58 HA HIS 58 7.225 -5.165 5.853 472 HD1 HIS 58 HD1 HIS 58 3.766 -6.867 7.452 473 HD2 HIS 58 HD2 HIS 58 6.914 -7.118 10.143 474 HE1 HIS 58 HE1 HIS 58 2.704 -7.275 9.685 475 HE2 HIS 58 HE2 HIS 58 4.616 -7.273 11.314 476 HB2 HIS 58 2HB HIS 58 6.388 -7.485 6.499 477 HB3 HIS 58 3HB HIS 58 7.583 -6.755 7.561 478 H ALA 59 H ALA 59 6.223 -5.631 3.979 479 HA ALA 59 HA ALA 59 3.299 -5.249 3.823 480 HB1 ALA 59 3HB ALA 59 5.361 -5.146 1.616 481 HB2 ALA 59 1HB ALA 59 4.681 -3.750 2.452 482 HB3 ALA 59 2HB ALA 59 3.642 -4.777 1.464 483 H ILE 60 H ILE 60 2.051 -7.023 3.554 484 HA ILE 60 HA ILE 60 3.316 -9.531 2.626 485 HB ILE 60 HB ILE 60 0.711 -9.243 4.148 486 HG12 ILE 60 2HG1 ILE 60 2.149 -10.325 6.029 487 HG13 ILE 60 3HG1 ILE 60 3.525 -9.701 5.128 488 HG21 ILE 60 1HG2 ILE 60 2.393 -11.672 3.523 489 HG22 ILE 60 2HG2 ILE 60 0.825 -11.270 2.819 490 HG23 ILE 60 3HG2 ILE 60 0.945 -11.660 4.535 491 HD11 ILE 60 3HD1 ILE 60 2.652 -7.435 5.363 492 HD12 ILE 60 1HD1 ILE 60 2.879 -8.208 6.931 493 HD13 ILE 60 2HD1 ILE 60 1.260 -8.061 6.248 494 H ARG 61 H ARG 61 2.536 -10.607 0.847 495 HA ARG 61 HA ARG 61 -0.027 -9.706 -0.301 496 HE ARG 61 HE ARG 61 5.551 -10.415 -2.056 497 HB2 ARG 61 2HB ARG 61 1.186 -10.286 -2.597 498 HB3 ARG 61 3HB ARG 61 1.268 -8.692 -1.872 499 HG2 ARG 61 2HG ARG 61 3.448 -9.242 -2.629 500 HG3 ARG 61 3HG ARG 61 3.469 -9.335 -0.869 501 HD2 ARG 61 2HD ARG 61 3.287 -11.768 -0.991 502 HD3 ARG 61 3HD ARG 61 3.224 -11.686 -2.752 503 HH11 ARG 61 1HH1 ARG 61 4.227 -13.549 -1.516 504 HH12 ARG 61 2HH1 ARG 61 5.775 -14.314 -1.467 505 HH21 ARG 61 1HH2 ARG 61 7.522 -11.398 -1.983 506 HH22 ARG 61 2HH2 ARG 61 7.625 -13.106 -1.739 507 H GLU 62 H GLU 62 -1.291 -11.384 0.214 508 HA GLU 62 HA GLU 62 -0.384 -14.117 -0.424 509 HB2 GLU 62 2HB GLU 62 -2.587 -13.172 1.424 510 HB3 GLU 62 3HB GLU 62 -2.180 -14.854 1.123 511 HG2 GLU 62 2HG GLU 62 -0.298 -12.826 2.321 512 HG3 GLU 62 3HG GLU 62 -1.279 -13.958 3.249 513 H LYS 63 H LYS 63 -1.958 -15.607 -1.372 514 HA LYS 63 HA LYS 63 -4.280 -14.403 -2.670 515 HB2 LYS 63 2HB LYS 63 -3.650 -15.211 -4.895 516 HB3 LYS 63 3HB LYS 63 -2.485 -14.048 -4.283 517 HG2 LYS 63 2HG LYS 63 -0.917 -15.813 -3.768 518 HG3 LYS 63 3HG LYS 63 -2.104 -17.039 -4.217 519 HD2 LYS 63 2HD LYS 63 -0.539 -16.755 -6.037 520 HD3 LYS 63 3HD LYS 63 -2.116 -16.135 -6.529 521 HE2 LYS 63 2HE LYS 63 -0.488 -14.571 -7.280 522 HE3 LYS 63 3HE LYS 63 -1.296 -13.837 -5.896 523 HZ1 LYS 63 3HZ LYS 63 1.096 -13.532 -5.789 524 HZ2 LYS 63 1HZ LYS 63 1.341 -15.204 -5.835 525 HZ3 LYS 63 2HZ LYS 63 0.572 -14.502 -4.507 526 H ARG 64 H ARG 64 -5.939 -15.814 -3.107 527 HA ARG 64 HA ARG 64 -5.631 -18.668 -3.112 528 HE ARG 64 HE ARG 64 -8.482 -14.827 0.119 529 HB2 ARG 64 2HB ARG 64 -6.863 -19.199 -1.097 530 HB3 ARG 64 3HB ARG 64 -5.471 -18.214 -0.671 531 HG2 ARG 64 2HG ARG 64 -8.230 -17.060 -1.032 532 HG3 ARG 64 3HG ARG 64 -7.653 -17.686 0.508 533 HD2 ARG 64 2HD ARG 64 -5.831 -16.056 0.497 534 HD3 ARG 64 3HD ARG 64 -6.369 -15.449 -1.068 535 HH11 ARG 64 1HH1 ARG 64 -5.519 -15.100 1.855 536 HH12 ARG 64 2HH1 ARG 64 -6.023 -13.996 3.089 537 HH21 ARG 64 1HH2 ARG 64 -9.117 -13.424 1.669 538 HH22 ARG 64 2HH2 ARG 64 -8.049 -13.033 2.978 539 H ILE 65 H ILE 65 -7.890 -19.762 -3.110 540 HA ILE 65 HA ILE 65 -9.555 -18.521 -5.028 541 HB ILE 65 HB ILE 65 -9.733 -21.016 -3.395 542 HG12 ILE 65 2HG1 ILE 65 -8.510 -20.941 -5.548 543 HG13 ILE 65 3HG1 ILE 65 -9.858 -22.072 -5.588 544 HG21 ILE 65 1HG2 ILE 65 -12.004 -20.211 -3.204 545 HG22 ILE 65 2HG2 ILE 65 -11.954 -21.552 -4.347 546 HG23 ILE 65 3HG2 ILE 65 -12.075 -19.895 -4.938 547 HD11 ILE 65 3HD1 ILE 65 -9.869 -19.290 -6.748 548 HD12 ILE 65 1HD1 ILE 65 -11.202 -20.447 -6.816 549 HD13 ILE 65 2HD1 ILE 65 -9.685 -20.792 -7.652 550 H LEU 66 H LEU 66 -11.434 -17.407 -4.912 551 HA LEU 66 HA LEU 66 -12.369 -16.492 -2.292 552 HG LEU 66 HG LEU 66 -14.990 -15.240 -3.452 553 HB2 LEU 66 2HB LEU 66 -12.049 -14.804 -4.029 554 HB3 LEU 66 3HB LEU 66 -13.143 -15.664 -5.097 555 HD11 LEU 66 1HD1 LEU 66 -13.620 -14.908 -1.461 556 HD12 LEU 66 2HD1 LEU 66 -14.682 -13.531 -1.747 557 HD13 LEU 66 3HD1 LEU 66 -12.968 -13.419 -2.148 558 HD21 LEU 66 3HD2 LEU 66 -14.717 -13.849 -5.442 559 HD22 LEU 66 1HD2 LEU 66 -13.620 -12.786 -4.557 560 HD23 LEU 66 2HD2 LEU 66 -15.315 -12.901 -4.080 561 H SER 67 H SER 67 -13.808 -17.865 -5.270 562 HA SER 67 HA SER 67 -15.722 -19.391 -3.673 563 HG SER 67 HG SER 67 -17.479 -17.638 -3.063 564 HB2 SER 67 2HB SER 67 -16.576 -17.334 -5.730 565 HB3 SER 67 3HB SER 67 -17.647 -18.568 -5.068 566 H LEU 68 H LEU 68 -16.692 -21.141 -4.763 567 HA LEU 68 HA LEU 68 -15.550 -21.780 -7.420 568 HG LEU 68 HG LEU 68 -13.955 -22.410 -4.768 569 HB2 LEU 68 2HB LEU 68 -16.039 -23.687 -5.121 570 HB3 LEU 68 3HB LEU 68 -15.484 -24.149 -6.719 571 HD11 LEU 68 1HD1 LEU 68 -13.516 -25.281 -5.600 572 HD12 LEU 68 2HD1 LEU 68 -14.090 -24.726 -4.027 573 HD13 LEU 68 3HD1 LEU 68 -12.456 -24.329 -4.556 574 HD21 LEU 68 3HD2 LEU 68 -13.468 -21.839 -7.095 575 HD22 LEU 68 1HD2 LEU 68 -13.139 -23.533 -7.452 576 HD23 LEU 68 2HD2 LEU 68 -12.096 -22.646 -6.340 577 H SER 69 H SER 69 -16.893 -22.814 -8.901 578 HA SER 69 HA SER 69 -19.732 -23.092 -8.153 579 HG SER 69 HG SER 69 -18.522 -23.129 -12.004 580 HB2 SER 69 2HB SER 69 -20.136 -23.209 -10.628 581 HB3 SER 69 3HB SER 69 -19.415 -21.692 -10.100 582 H GLU 70 H GLU 70 -20.903 -24.949 -9.170 583 HA GLU 70 HA GLU 70 -21.268 -27.187 -9.353 584 HB2 GLU 70 2HB GLU 70 -19.959 -26.639 -11.461 585 HB3 GLU 70 3HB GLU 70 -18.538 -27.287 -10.657 586 HG2 GLU 70 2HG GLU 70 -19.503 -28.940 -12.136 587 HG3 GLU 70 3HG GLU 70 -19.640 -29.467 -10.460 588 H SER 71 H SER 71 -19.604 -26.147 -7.014 589 HA SER 71 HA SER 71 -18.675 -26.947 -5.110 590 HG SER 71 HG SER 71 -18.141 -29.945 -4.399 591 HB2 SER 71 2HB SER 71 -20.501 -28.613 -5.218 592 HB3 SER 71 3HB SER 71 -19.464 -29.680 -6.161 593 H GLY 72 H GLY 72 -17.101 -26.925 -7.789 594 HA2 GLY 72 2HA GLY 72 -14.592 -27.502 -6.653 595 HA3 GLY 72 3HA GLY 72 -15.079 -28.902 -7.593 596 H ARG 73 H ARG 73 -15.940 -25.657 -8.599 597 HA ARG 73 HA ARG 73 -13.940 -25.820 -10.757 598 HE ARG 73 HE ARG 73 -14.665 -22.767 -14.217 599 HB2 ARG 73 2HB ARG 73 -16.053 -26.262 -11.752 600 HB3 ARG 73 3HB ARG 73 -16.838 -24.975 -10.848 601 HG2 ARG 73 2HG ARG 73 -16.535 -24.395 -13.201 602 HG3 ARG 73 3HG ARG 73 -15.653 -23.302 -12.134 603 HD2 ARG 73 2HD ARG 73 -13.607 -24.697 -12.564 604 HD3 ARG 73 3HD ARG 73 -14.534 -25.560 -13.794 605 HH11 ARG 73 1HH1 ARG 73 -12.485 -25.420 -14.586 606 HH12 ARG 73 2HH1 ARG 73 -11.653 -24.669 -15.904 607 HH21 ARG 73 1HH2 ARG 73 -13.588 -21.844 -15.875 608 HH22 ARG 73 2HH2 ARG 73 -12.284 -22.688 -16.639 609 H VAL 74 H VAL 74 -12.620 -24.114 -10.985 610 HA VAL 74 HA VAL 74 -12.595 -22.022 -9.076 611 HB VAL 74 HB VAL 74 -11.041 -22.269 -11.660 612 HG11 VAL 74 1HG1 VAL 74 -9.462 -20.679 -10.660 613 HG12 VAL 74 2HG1 VAL 74 -10.542 -20.477 -9.281 614 HG13 VAL 74 3HG1 VAL 74 -11.058 -19.962 -10.884 615 HG21 VAL 74 3HG2 VAL 74 -10.641 -24.145 -10.154 616 HG22 VAL 74 1HG2 VAL 74 -10.293 -23.036 -8.827 617 HG23 VAL 74 2HG2 VAL 74 -9.219 -23.106 -10.227 618 H ARG 75 H ARG 75 -13.762 -20.220 -9.021 619 HA ARG 75 HA ARG 75 -14.637 -18.965 -11.546 620 HE ARG 75 HE ARG 75 -18.056 -17.224 -10.029 621 HB2 ARG 75 2HB ARG 75 -15.742 -18.820 -8.745 622 HB3 ARG 75 3HB ARG 75 -16.194 -17.649 -9.978 623 HG2 ARG 75 2HG ARG 75 -17.004 -19.533 -11.390 624 HG3 ARG 75 3HG ARG 75 -16.672 -20.626 -10.044 625 HD2 ARG 75 2HD ARG 75 -19.035 -19.977 -10.119 626 HD3 ARG 75 3HD ARG 75 -18.260 -19.412 -8.643 627 HH11 ARG 75 1HH1 ARG 75 -20.721 -19.413 -10.124 628 HH12 ARG 75 2HH1 ARG 75 -21.865 -18.165 -10.463 629 HH21 ARG 75 1HH2 ARG 75 -19.541 -15.636 -10.441 630 HH22 ARG 75 2HH2 ARG 75 -21.211 -16.055 -10.636 631 H GLU 76 H GLU 76 -14.127 -17.588 -8.301 632 HA GLU 76 HA GLU 76 -12.455 -15.488 -9.536 633 HB2 GLU 76 2HB GLU 76 -14.015 -15.290 -6.953 634 HB3 GLU 76 3HB GLU 76 -13.205 -13.985 -7.803 635 HG2 GLU 76 2HG GLU 76 -15.622 -15.502 -8.766 636 HG3 GLU 76 3HG GLU 76 -15.621 -13.885 -8.074 637 H PHE 77 H PHE 77 -10.536 -14.897 -8.578 638 HA PHE 77 HA PHE 77 -9.536 -16.643 -6.412 639 HD1 PHE 77 HD1 PHE 77 -8.020 -18.738 -7.264 640 HD2 PHE 77 HD2 PHE 77 -5.767 -15.123 -7.288 641 HE1 PHE 77 HE1 PHE 77 -6.132 -19.911 -6.211 642 HE2 PHE 77 HE2 PHE 77 -3.884 -16.292 -6.231 643 HZ PHE 77 HZ PHE 77 -4.059 -18.688 -5.694 644 HB2 PHE 77 2HB PHE 77 -8.539 -16.785 -8.803 645 HB3 PHE 77 3HB PHE 77 -7.805 -15.229 -8.447 646 H GLU 78 H GLU 78 -9.275 -15.575 -4.528 647 HA GLU 78 HA GLU 78 -9.437 -12.686 -4.470 648 HB2 GLU 78 2HB GLU 78 -10.781 -14.024 -2.927 649 HB3 GLU 78 3HB GLU 78 -9.322 -14.709 -2.224 650 HG2 GLU 78 2HG GLU 78 -8.675 -12.529 -1.369 651 HG3 GLU 78 3HG GLU 78 -10.074 -11.786 -2.141 652 H LEU 79 H LEU 79 -7.763 -11.372 -4.419 653 HA LEU 79 HA LEU 79 -5.120 -12.308 -3.497 654 HG LEU 79 HG LEU 79 -6.386 -11.781 -6.463 655 HB2 LEU 79 2HB LEU 79 -5.775 -9.814 -5.082 656 HB3 LEU 79 3HB LEU 79 -4.188 -10.511 -4.812 657 HD11 LEU 79 1HD1 LEU 79 -5.507 -9.771 -7.529 658 HD12 LEU 79 2HD1 LEU 79 -4.998 -11.219 -8.396 659 HD13 LEU 79 3HD1 LEU 79 -3.860 -10.376 -7.342 660 HD21 LEU 79 3HD2 LEU 79 -3.506 -12.596 -6.060 661 HD22 LEU 79 1HD2 LEU 79 -4.640 -13.344 -7.188 662 HD23 LEU 79 2HD2 LEU 79 -4.926 -13.446 -5.452 663 H VAL 80 H VAL 80 -4.534 -11.636 -1.458 664 HA VAL 80 HA VAL 80 -5.668 -9.077 -0.497 665 HB VAL 80 HB VAL 80 -6.525 -10.932 0.810 666 HG11 VAL 80 1HG1 VAL 80 -5.056 -12.332 2.193 667 HG12 VAL 80 2HG1 VAL 80 -3.646 -11.582 1.443 668 HG13 VAL 80 3HG1 VAL 80 -4.752 -12.553 0.468 669 HG21 VAL 80 3HG2 VAL 80 -5.890 -10.164 3.057 670 HG22 VAL 80 1HG2 VAL 80 -6.152 -8.808 1.957 671 HG23 VAL 80 2HG2 VAL 80 -4.510 -9.304 2.371 672 H TYR 81 H TYR 81 -4.331 -7.475 -0.017 673 HA TYR 81 HA TYR 81 -1.457 -8.041 0.394 674 HD1 TYR 81 HD2 TYR 81 0.626 -7.367 -0.650 675 HD2 TYR 81 HD1 TYR 81 -1.547 -3.722 -1.021 676 HE1 TYR 81 HE2 TYR 81 2.728 -6.104 -0.487 677 HE2 TYR 81 HE1 TYR 81 0.552 -2.453 -0.862 678 HH TYR 81 HH TYR 81 2.785 -2.691 -0.062 679 HB2 TYR 81 2HB TYR 81 -1.841 -7.054 -1.819 680 HB3 TYR 81 3HB TYR 81 -2.718 -5.714 -1.094 681 H ARG 82 H ARG 82 -0.859 -7.538 2.416 682 HA ARG 82 HA ARG 82 -2.408 -5.507 3.897 683 HE ARG 82 HE ARG 82 -1.818 -10.610 5.641 684 HB2 ARG 82 2HB ARG 82 -0.778 -7.812 4.992 685 HB3 ARG 82 3HB ARG 82 -1.712 -6.668 5.948 686 HG2 ARG 82 2HG ARG 82 -3.764 -7.466 4.766 687 HG3 ARG 82 3HG ARG 82 -2.774 -8.709 3.999 688 HD2 ARG 82 2HD ARG 82 -3.168 -8.355 6.979 689 HD3 ARG 82 3HD ARG 82 -3.969 -9.561 5.974 690 HH11 ARG 82 1HH1 ARG 82 -1.921 -8.213 8.119 691 HH12 ARG 82 2HH1 ARG 82 -0.571 -8.884 8.968 692 HH21 ARG 82 1HH2 ARG 82 -0.089 -11.459 6.746 693 HH22 ARG 82 2HH2 ARG 82 0.453 -10.696 8.200 694 H VAL 83 H VAL 83 -1.375 -3.604 3.992 695 HA VAL 83 HA VAL 83 1.542 -3.480 4.164 696 HB VAL 83 HB VAL 83 -0.462 -1.214 3.994 697 HG11 VAL 83 1HG1 VAL 83 2.538 -1.222 3.624 698 HG12 VAL 83 2HG1 VAL 83 1.657 -0.513 4.979 699 HG13 VAL 83 3HG1 VAL 83 1.476 0.161 3.358 700 HG21 VAL 83 3HG2 VAL 83 0.190 -1.056 1.624 701 HG22 VAL 83 1HG2 VAL 83 -0.570 -2.605 1.997 702 HG23 VAL 83 2HG2 VAL 83 1.182 -2.504 1.809 703 H ALA 84 H ALA 84 2.248 -3.874 6.218 704 HA ALA 84 HA ALA 84 0.894 -2.614 8.488 705 HB1 ALA 84 3HB ALA 84 3.275 -4.478 8.470 706 HB2 ALA 84 1HB ALA 84 1.593 -4.963 8.693 707 HB3 ALA 84 2HB ALA 84 2.382 -3.936 9.891 708 H ALA 85 H ALA 85 1.384 -0.480 8.609 709 HA ALA 85 HA ALA 85 4.230 0.277 8.760 710 HB1 ALA 85 3HB ALA 85 2.113 1.827 7.259 711 HB2 ALA 85 1HB ALA 85 3.406 0.876 6.528 712 HB3 ALA 85 2HB ALA 85 3.796 2.311 7.481 713 H ARG 86 H ARG 86 4.691 2.104 10.067 714 HA ARG 86 HA ARG 86 2.495 3.009 11.824 715 HE ARG 86 HE ARG 86 3.747 1.981 15.546 716 HB2 ARG 86 2HB ARG 86 5.321 2.300 12.662 717 HB3 ARG 86 3HB ARG 86 4.099 3.002 13.716 718 HG2 ARG 86 2HG ARG 86 2.702 1.015 13.444 719 HG3 ARG 86 3HG ARG 86 3.904 0.310 12.360 720 HD2 ARG 86 2HD ARG 86 4.106 -0.612 14.612 721 HD3 ARG 86 3HD ARG 86 5.547 0.307 14.173 722 HH11 ARG 86 1HH1 ARG 86 5.848 -0.690 16.119 723 HH12 ARG 86 2HH1 ARG 86 6.133 -0.252 17.767 724 HH21 ARG 86 1HH2 ARG 86 4.132 2.546 17.655 725 HH22 ARG 86 2HH2 ARG 86 5.176 1.570 18.630 726 H LEU 87 H LEU 87 2.590 5.153 12.553 727 HA LEU 87 HA LEU 87 4.429 6.891 11.044 728 HG LEU 87 HG LEU 87 3.348 8.719 9.933 729 HB2 LEU 87 2HB LEU 87 1.791 7.018 11.029 730 HB3 LEU 87 3HB LEU 87 2.020 7.902 12.524 731 HD11 LEU 87 1HD1 LEU 87 0.918 8.692 9.630 732 HD12 LEU 87 2HD1 LEU 87 1.564 10.335 9.630 733 HD13 LEU 87 3HD1 LEU 87 0.729 9.717 11.057 734 HD21 LEU 87 3HD2 LEU 87 3.538 10.902 11.035 735 HD22 LEU 87 1HD2 LEU 87 4.360 9.644 11.960 736 HD23 LEU 87 2HD2 LEU 87 2.786 10.239 12.487 737 H LEU 88 H LEU 88 6.192 7.366 12.190 738 HA LEU 88 HA LEU 88 6.014 7.472 15.130 739 HG LEU 88 HG LEU 88 6.372 4.993 13.870 740 HB2 LEU 88 2HB LEU 88 8.274 6.689 13.290 741 HB3 LEU 88 3HB LEU 88 8.445 6.842 15.030 742 HD11 LEU 88 1HD1 LEU 88 8.483 4.386 12.801 743 HD12 LEU 88 2HD1 LEU 88 7.981 3.166 13.970 744 HD13 LEU 88 3HD1 LEU 88 9.263 4.302 14.378 745 HD21 LEU 88 3HD2 LEU 88 7.945 4.986 16.451 746 HD22 LEU 88 1HD2 LEU 88 6.700 3.821 15.992 747 HD23 LEU 88 2HD2 LEU 88 6.268 5.509 16.261 748 H ASP 89 H ASP 89 8.039 8.605 16.062 749 HA ASP 89 HA ASP 89 7.855 11.395 15.314 750 HB2 ASP 89 2HB ASP 89 7.681 10.799 17.653 751 HB3 ASP 89 3HB ASP 89 9.210 9.933 17.597 752 H ALA 90 H ALA 90 9.954 12.743 15.414 753 HA ALA 90 HA ALA 90 11.711 12.098 13.357 754 HB1 ALA 90 3HB ALA 90 13.096 13.949 14.158 755 HB2 ALA 90 1HB ALA 90 12.211 13.955 15.684 756 HB3 ALA 90 2HB ALA 90 11.383 14.372 14.183 757 H HIS 91 H HIS 91 12.099 11.529 16.854 758 HA HIS 91 HA HIS 91 14.662 10.184 16.425 759 HD1 HIS 91 HD1 HIS 91 14.065 12.670 20.318 760 HD2 HIS 91 HD2 HIS 91 16.264 11.815 16.897 761 HE1 HIS 91 HE1 HIS 91 15.744 14.521 20.117 762 HE2 HIS 91 HE2 HIS 91 16.991 14.042 17.992 763 HB2 HIS 91 2HB HIS 91 13.052 10.794 18.908 764 HB3 HIS 91 3HB HIS 91 14.493 9.783 18.945 765 H ASN 92 H ASN 92 11.887 9.191 15.514 766 HA ASN 92 HA ASN 92 10.770 7.241 15.241 767 HB2 ASN 92 2HB ASN 92 13.161 6.568 14.633 768 HB3 ASN 92 3HB ASN 92 13.261 5.845 16.233 769 HD21 ASN 92 1HD2 ASN 92 13.357 4.657 13.530 770 HD22 ASN 92 2HD2 ASN 92 12.126 3.445 13.523 771 H ALA 93 H ALA 93 9.993 8.421 17.501 772 HA ALA 93 HA ALA 93 9.868 6.311 19.558 773 HB1 ALA 93 3HB ALA 93 9.004 8.035 21.060 774 HB2 ALA 93 1HB ALA 93 9.033 9.209 19.743 775 HB3 ALA 93 2HB ALA 93 10.542 8.526 20.348 776 H GLU 94 H GLU 94 7.482 8.798 18.629 777 HA GLU 94 HA GLU 94 5.664 7.019 17.381 778 HB2 GLU 94 2HB GLU 94 3.890 6.963 19.059 779 HB3 GLU 94 3HB GLU 94 5.349 6.207 19.684 780 HG2 GLU 94 2HG GLU 94 5.867 8.253 20.935 781 HG3 GLU 94 3HG GLU 94 4.387 8.993 20.323 782 H LEU 95 H LEU 95 3.603 8.111 16.801 783 HA LEU 95 HA LEU 95 3.449 10.980 17.246 784 HG LEU 95 HG LEU 95 4.524 12.341 13.952 785 HB2 LEU 95 2HB LEU 95 5.080 10.374 15.261 786 HB3 LEU 95 3HB LEU 95 3.594 10.118 14.374 787 HD11 LEU 95 1HD1 LEU 95 2.103 12.089 13.832 788 HD12 LEU 95 2HD1 LEU 95 2.550 13.698 14.399 789 HD13 LEU 95 3HD1 LEU 95 1.967 12.489 15.545 790 HD21 LEU 95 3HD2 LEU 95 4.639 14.028 15.704 791 HD22 LEU 95 1HD2 LEU 95 5.685 12.657 16.077 792 HD23 LEU 95 2HD2 LEU 95 4.135 12.838 16.903 793 H ALA 96 H ALA 96 2.255 8.362 15.119 794 HA ALA 96 HA ALA 96 -0.486 8.924 15.950 795 HB1 ALA 96 3HB ALA 96 -0.122 10.412 14.029 796 HB2 ALA 96 1HB ALA 96 -1.320 9.164 13.677 797 HB3 ALA 96 2HB ALA 96 0.320 9.018 13.041 798 H SER 97 H SER 97 -1.656 7.089 16.123 799 HA SER 97 HA SER 97 -0.429 4.558 15.642 800 HG SER 97 HG SER 97 -2.086 2.849 17.252 801 HB2 SER 97 2HB SER 97 -2.017 4.942 17.509 802 HB3 SER 97 3HB SER 97 -3.322 5.144 16.342 803 H LEU 98 H LEU 98 0.013 4.564 13.409 804 HA LEU 98 HA LEU 98 -2.039 4.788 11.421 805 HG LEU 98 HG LEU 98 -0.464 3.255 9.094 806 HB2 LEU 98 2HB LEU 98 0.386 5.347 11.110 807 HB3 LEU 98 3HB LEU 98 0.745 3.634 11.166 808 HD11 LEU 98 1HD1 LEU 98 -1.473 5.089 7.835 809 HD12 LEU 98 2HD1 LEU 98 -1.111 6.208 9.151 810 HD13 LEU 98 3HD1 LEU 98 -2.258 4.890 9.401 811 HD21 LEU 98 3HD2 LEU 98 1.878 3.964 8.925 812 HD22 LEU 98 1HD2 LEU 98 1.368 5.655 8.869 813 HD23 LEU 98 2HD2 LEU 98 0.935 4.553 7.558 814 H GLN 99 H GLN 99 -3.128 3.164 10.296 815 HA GLN 99 HA GLN 99 -3.308 0.643 11.769 816 HB2 GLN 99 2HB GLN 99 -5.367 1.935 11.280 817 HB3 GLN 99 3HB GLN 99 -5.079 1.717 9.558 818 HG2 GLN 99 2HG GLN 99 -5.225 -0.754 9.920 819 HG3 GLN 99 3HG GLN 99 -5.700 -0.429 11.586 820 HE21 GLN 99 1HE2 GLN 99 -7.170 -1.785 9.480 821 HE22 GLN 99 2HE2 GLN 99 -8.643 -0.907 9.280 822 H GLU 100 H GLU 100 -3.203 -1.412 10.828 823 HA GLU 100 HA GLU 100 -1.492 -1.822 8.597 824 HB2 GLU 100 2HB GLU 100 -1.771 -3.465 10.445 825 HB3 GLU 100 3HB GLU 100 -3.411 -3.778 9.892 826 HG2 GLU 100 2HG GLU 100 -2.367 -4.444 7.662 827 HG3 GLU 100 3HG GLU 100 -0.823 -4.434 8.513 828 H ILE 101 H ILE 101 -2.067 -1.368 6.554 829 HA ILE 101 HA ILE 101 -4.847 -1.226 5.773 830 HB ILE 101 HB ILE 101 -2.350 -0.778 4.127 831 HG12 ILE 101 2HG1 ILE 101 -4.166 1.216 5.516 832 HG13 ILE 101 3HG1 ILE 101 -2.571 0.735 6.084 833 HG21 ILE 101 1HG2 ILE 101 -4.292 -1.271 2.730 834 HG22 ILE 101 2HG2 ILE 101 -3.838 0.426 2.582 835 HG23 ILE 101 3HG2 ILE 101 -5.227 -0.031 3.567 836 HD11 ILE 101 3HD1 ILE 101 -1.571 1.673 4.078 837 HD12 ILE 101 1HD1 ILE 101 -2.506 2.877 4.961 838 HD13 ILE 101 2HD1 ILE 101 -3.166 2.147 3.498 839 H ARG 102 H ARG 102 -5.681 -3.278 5.702 840 HA ARG 102 HA ARG 102 -4.400 -5.270 3.973 841 HE ARG 102 HE ARG 102 -5.156 -6.296 8.015 842 HB2 ARG 102 2HB ARG 102 -6.168 -6.812 4.954 843 HB3 ARG 102 3HB ARG 102 -4.961 -6.193 6.072 844 HG2 ARG 102 2HG ARG 102 -6.617 -4.452 6.778 845 HG3 ARG 102 3HG ARG 102 -7.818 -5.279 5.783 846 HD2 ARG 102 2HD ARG 102 -7.997 -5.957 8.124 847 HD3 ARG 102 3HD ARG 102 -7.519 -7.317 7.109 848 HH11 ARG 102 1HH1 ARG 102 -8.025 -7.426 9.560 849 HH12 ARG 102 2HH1 ARG 102 -7.178 -7.974 10.961 850 HH21 ARG 102 1HH2 ARG 102 -4.098 -6.982 9.820 851 HH22 ARG 102 2HH2 ARG 102 -4.987 -7.698 11.120 852 H LEU 103 H LEU 103 -4.881 -4.939 1.897 853 HA LEU 103 HA LEU 103 -7.631 -4.256 1.093 854 HG LEU 103 HG LEU 103 -5.092 -2.395 1.174 855 HB2 LEU 103 2HB LEU 103 -5.060 -4.219 -0.502 856 HB3 LEU 103 3HB LEU 103 -6.630 -3.695 -1.086 857 HD11 LEU 103 1HD1 LEU 103 -4.740 -0.557 -0.402 858 HD12 LEU 103 2HD1 LEU 103 -5.518 -1.496 -1.676 859 HD13 LEU 103 3HD1 LEU 103 -3.998 -2.050 -0.975 860 HD21 LEU 103 3HD2 LEU 103 -6.777 -0.619 0.991 861 HD22 LEU 103 1HD2 LEU 103 -7.504 -2.161 1.445 862 HD23 LEU 103 2HD2 LEU 103 -7.647 -1.571 -0.213 863 H THR 104 H THR 104 -8.675 -5.392 -0.621 864 HA THR 104 HA THR 104 -7.538 -8.018 -1.347 865 HB THR 104 HB THR 104 -9.835 -8.992 -1.283 866 HG1 THR 104 HG1 THR 104 -11.465 -7.687 -0.977 867 HG21 THR 104 3HG2 THR 104 -8.891 -7.865 1.362 868 HG22 THR 104 1HG2 THR 104 -8.310 -9.348 0.605 869 HG23 THR 104 2HG2 THR 104 -9.984 -9.234 1.151 870 H ARG 105 H ARG 105 -7.857 -8.686 -3.449 871 HA ARG 105 HA ARG 105 -9.578 -7.037 -5.192 872 HE ARG 105 HE ARG 105 -9.710 -5.514 -5.693 873 HB2 ARG 105 2HB ARG 105 -7.005 -6.615 -5.375 874 HB3 ARG 105 3HB ARG 105 -6.970 -8.167 -6.198 875 HG2 ARG 105 2HG ARG 105 -7.176 -6.774 -7.995 876 HG3 ARG 105 3HG ARG 105 -8.880 -7.071 -7.652 877 HD2 ARG 105 2HD ARG 105 -7.241 -4.649 -6.897 878 HD3 ARG 105 3HD ARG 105 -8.596 -4.719 -8.018 879 HH11 ARG 105 1HH1 ARG 105 -7.838 -2.767 -6.589 880 HH12 ARG 105 2HH1 ARG 105 -8.501 -1.770 -5.344 881 HH21 ARG 105 1HH2 ARG 105 -10.570 -4.233 -4.112 882 HH22 ARG 105 2HH2 ARG 105 -10.061 -2.585 -3.970 883 H ILE 106 H ILE 106 -10.520 -8.176 -6.974 884 HA ILE 106 HA ILE 106 -10.621 -11.088 -6.518 885 HB ILE 106 HB ILE 106 -12.667 -9.427 -8.005 886 HG12 ILE 106 2HG1 ILE 106 -12.562 -8.569 -5.730 887 HG13 ILE 106 3HG1 ILE 106 -14.022 -9.534 -5.914 888 HG21 ILE 106 1HG2 ILE 106 -14.136 -11.340 -7.582 889 HG22 ILE 106 2HG2 ILE 106 -12.818 -12.182 -6.767 890 HG23 ILE 106 3HG2 ILE 106 -12.705 -11.819 -8.490 891 HD11 ILE 106 3HD1 ILE 106 -12.916 -11.401 -4.773 892 HD12 ILE 106 1HD1 ILE 106 -12.980 -9.950 -3.775 893 HD13 ILE 106 2HD1 ILE 106 -11.474 -10.408 -4.567 894 H LEU 107 H LEU 107 -9.590 -12.317 -7.950 895 HA LEU 107 HA LEU 107 -8.995 -11.316 -10.644 896 HG LEU 107 HG LEU 107 -5.881 -13.427 -10.644 897 HB2 LEU 107 2HB LEU 107 -7.184 -12.171 -9.133 898 HB3 LEU 107 3HB LEU 107 -7.922 -13.754 -9.200 899 HD11 LEU 107 1HD1 LEU 107 -6.722 -14.658 -12.548 900 HD12 LEU 107 2HD1 LEU 107 -8.379 -14.219 -12.137 901 HD13 LEU 107 3HD1 LEU 107 -7.450 -15.263 -11.059 902 HD21 LEU 107 3HD2 LEU 107 -7.751 -11.735 -12.298 903 HD22 LEU 107 1HD2 LEU 107 -6.129 -12.257 -12.760 904 HD23 LEU 107 2HD2 LEU 107 -6.346 -11.162 -11.397 905 HA PRO 108 HA PRO 108 -12.302 -14.160 -12.025 906 HB2 PRO 108 2HB PRO 108 -12.508 -13.167 -14.538 907 HB3 PRO 108 3HB PRO 108 -13.233 -12.369 -13.139 908 HG2 PRO 108 2HG PRO 108 -10.675 -11.737 -14.563 909 HG3 PRO 108 3HG PRO 108 -11.919 -10.630 -13.952 910 HD2 PRO 108 2HD PRO 108 -9.584 -11.143 -12.633 911 HD3 PRO 108 3HD PRO 108 -11.088 -10.685 -11.807 912 H PHE 109 H PHE 109 -11.997 -16.179 -12.823 913 HA PHE 109 HA PHE 109 -9.489 -16.762 -14.236 914 HD1 PHE 109 HD2 PHE 109 -7.803 -18.685 -13.566 915 HD2 PHE 109 HD1 PHE 109 -11.574 -20.621 -13.997 916 HE1 PHE 109 HE2 PHE 109 -6.683 -20.643 -14.549 917 HE2 PHE 109 HE1 PHE 109 -10.458 -22.581 -14.982 918 HZ PHE 109 HZ PHE 109 -8.012 -22.593 -15.258 919 HB2 PHE 109 2HB PHE 109 -9.925 -18.044 -12.208 920 HB3 PHE 109 3HB PHE 109 -11.466 -18.595 -12.852 921 H LEU 110 H LEU 110 -9.377 -18.011 -16.109 922 HA LEU 110 HA LEU 110 -11.739 -19.027 -17.419 923 HG LEU 110 HG LEU 110 -10.979 -18.494 -20.414 924 HB2 LEU 110 2HB LEU 110 -11.707 -16.645 -18.130 925 HB3 LEU 110 3HB LEU 110 -10.092 -16.874 -18.776 926 HD11 LEU 110 1HD1 LEU 110 -12.871 -19.343 -19.146 927 HD12 LEU 110 2HD1 LEU 110 -13.400 -18.732 -20.713 928 HD13 LEU 110 3HD1 LEU 110 -13.675 -17.776 -19.257 929 HD21 LEU 110 3HD2 LEU 110 -12.161 -16.894 -21.828 930 HD22 LEU 110 1HD2 LEU 110 -10.790 -16.132 -21.022 931 HD23 LEU 110 2HD2 LEU 110 -12.428 -15.843 -20.436 932 H ASP 111 H ASP 111 -11.219 -20.654 -18.947 933 HA ASP 111 HA ASP 111 -8.665 -21.872 -18.460 934 HB2 ASP 111 2HB ASP 111 -10.735 -22.796 -20.457 935 HB3 ASP 111 3HB ASP 111 -9.494 -23.764 -19.666 936 H ALA 112 H ALA 112 -10.250 -21.143 -21.602 937 HA ALA 112 HA ALA 112 -7.735 -21.473 -22.972 938 HB1 ALA 112 3HB ALA 112 -9.850 -22.279 -23.936 939 HB2 ALA 112 1HB ALA 112 -9.002 -21.170 -25.015 940 HB3 ALA 112 2HB ALA 112 -10.401 -20.612 -24.095 941 H GLN 113 H GLN 113 -6.845 -19.601 -21.598 942 HA GLN 113 HA GLN 113 -6.491 -17.363 -23.372 943 HB2 GLN 113 2HB GLN 113 -8.067 -17.060 -20.852 944 HB3 GLN 113 3HB GLN 113 -6.919 -15.790 -21.237 945 HG2 GLN 113 2HG GLN 113 -9.207 -16.714 -22.967 946 HG3 GLN 113 3HG GLN 113 -9.130 -15.217 -22.039 947 HE21 GLN 113 1HE2 GLN 113 -9.501 -15.575 -24.896 948 HE22 GLN 113 2HE2 GLN 113 -8.201 -14.737 -25.664 949 H GLU 114 H GLU 114 -4.502 -16.456 -23.144 950 HA GLU 114 HA GLU 114 -3.026 -16.896 -20.640 951 HB2 GLU 114 2HB GLU 114 -0.980 -17.478 -21.815 952 HB3 GLU 114 3HB GLU 114 -2.258 -18.603 -22.238 953 HG2 GLU 114 2HG GLU 114 -1.271 -16.322 -23.947 954 HG3 GLU 114 3HG GLU 114 -0.873 -18.023 -24.162 955 H LEU 115 H LEU 115 -2.949 -15.108 -23.759 956 HA LEU 115 HA LEU 115 -1.320 -12.989 -22.859 957 HG LEU 115 HG LEU 115 -1.365 -12.672 -26.543 958 HB2 LEU 115 2HB LEU 115 -3.218 -13.367 -25.130 959 HB3 LEU 115 3HB LEU 115 -2.735 -11.727 -24.749 960 HD11 LEU 115 1HD1 LEU 115 0.203 -12.296 -23.993 961 HD12 LEU 115 2HD1 LEU 115 -0.388 -11.005 -25.040 962 HD13 LEU 115 3HD1 LEU 115 0.824 -12.136 -25.637 963 HD21 LEU 115 3HD2 LEU 115 -0.486 -14.708 -24.493 964 HD22 LEU 115 1HD2 LEU 115 0.203 -14.498 -26.104 965 HD23 LEU 115 2HD2 LEU 115 -1.469 -15.029 -25.922 966 H ALA 116 H ALA 116 -4.844 -13.403 -22.763 967 HA ALA 116 HA ALA 116 -5.486 -10.846 -21.762 968 HB1 ALA 116 3HB ALA 116 -7.610 -11.838 -21.071 969 HB2 ALA 116 1HB ALA 116 -6.945 -13.454 -21.305 970 HB3 ALA 116 2HB ALA 116 -7.161 -12.379 -22.686 971 H LYS 117 H LYS 117 -4.704 -13.882 -20.085 972 HA LYS 117 HA LYS 117 -5.176 -12.917 -17.455 973 HB2 LYS 117 2HB LYS 117 -3.335 -15.188 -18.248 974 HB3 LYS 117 3HB LYS 117 -4.115 -14.948 -16.690 975 HG2 LYS 117 2HG LYS 117 -5.493 -15.587 -19.297 976 HG3 LYS 117 3HG LYS 117 -5.225 -16.700 -17.957 977 HD2 LYS 117 2HD LYS 117 -6.803 -14.149 -17.635 978 HD3 LYS 117 3HD LYS 117 -7.551 -15.649 -18.178 979 HE2 LYS 117 2HE LYS 117 -7.897 -15.446 -15.817 980 HE3 LYS 117 3HE LYS 117 -6.735 -16.741 -16.092 981 HZ1 LYS 117 3HZ LYS 117 -4.953 -15.203 -15.512 982 HZ2 LYS 117 1HZ LYS 117 -6.069 -15.338 -14.254 983 HZ3 LYS 117 2HZ LYS 117 -6.072 -13.969 -15.243 984 H ALA 118 H ALA 118 -2.266 -13.082 -19.469 985 HA ALA 118 HA ALA 118 -0.308 -12.369 -17.645 986 HB1 ALA 118 3HB ALA 118 0.978 -11.544 -19.546 987 HB2 ALA 118 1HB ALA 118 -0.486 -11.500 -20.533 988 HB3 ALA 118 2HB ALA 118 0.148 -13.044 -19.960 989 H ALA 119 H ALA 119 -2.641 -10.307 -19.293 990 HA ALA 119 HA ALA 119 -1.543 -7.871 -18.124 991 HB1 ALA 119 3HB ALA 119 -3.281 -6.716 -19.380 992 HB2 ALA 119 1HB ALA 119 -4.016 -8.259 -19.819 993 HB3 ALA 119 2HB ALA 119 -2.414 -7.840 -20.424 994 H GLU 120 H GLU 120 -4.311 -10.014 -17.705 995 HA GLU 120 HA GLU 120 -5.946 -8.478 -16.061 996 HB2 GLU 120 2HB GLU 120 -6.526 -10.682 -17.088 997 HB3 GLU 120 3HB GLU 120 -5.518 -11.469 -15.887 998 HG2 GLU 120 2HG GLU 120 -7.634 -11.715 -15.002 999 HG3 GLU 120 3HG GLU 120 -7.036 -10.288 -14.160 1000 H GLU 121 H GLU 121 -3.754 -11.069 -14.893 1001 HA GLU 121 HA GLU 121 -3.855 -10.422 -12.187 1002 HB2 GLU 121 2HB GLU 121 -1.730 -11.808 -13.822 1003 HB3 GLU 121 3HB GLU 121 -1.553 -11.582 -12.090 1004 HG2 GLU 121 2HG GLU 121 -2.407 -13.721 -12.242 1005 HG3 GLU 121 3HG GLU 121 -3.838 -12.755 -11.904 1006 H GLU 122 H GLU 122 -1.778 -9.073 -14.702 1007 HA GLU 122 HA GLU 122 0.008 -7.641 -13.059 1008 HB2 GLU 122 2HB GLU 122 0.515 -7.913 -15.398 1009 HB3 GLU 122 3HB GLU 122 -0.969 -7.097 -15.871 1010 HG2 GLU 122 2HG GLU 122 -0.080 -5.020 -14.793 1011 HG3 GLU 122 3HG GLU 122 1.443 -5.869 -14.546 1012 H MET 123 H MET 123 -2.876 -6.433 -14.781 1013 HA MET 123 HA MET 123 -2.767 -3.818 -13.818 1014 HB2 MET 123 2HB MET 123 -5.163 -5.408 -14.761 1015 HB3 MET 123 3HB MET 123 -5.156 -3.665 -14.517 1016 HG2 MET 123 2HG MET 123 -3.380 -3.462 -16.218 1017 HG3 MET 123 3HG MET 123 -3.476 -5.202 -16.492 1018 HE1 MET 123 3HE MET 123 -5.107 -3.703 -19.724 1019 HE2 MET 123 1HE MET 123 -3.865 -4.781 -19.089 1020 HE3 MET 123 2HE MET 123 -3.753 -3.043 -18.810 1021 H LEU 124 H LEU 124 -4.573 -6.604 -12.505 1022 HA LEU 124 HA LEU 124 -5.891 -5.139 -10.474 1023 HG LEU 124 HG LEU 124 -6.806 -7.422 -12.383 1024 HB2 LEU 124 2HB LEU 124 -5.217 -8.075 -10.657 1025 HB3 LEU 124 3HB LEU 124 -6.243 -7.383 -9.411 1026 HD11 LEU 124 1HD1 LEU 124 -7.134 -9.575 -11.303 1027 HD12 LEU 124 2HD1 LEU 124 -8.675 -8.863 -11.773 1028 HD13 LEU 124 3HD1 LEU 124 -8.167 -8.823 -10.085 1029 HD21 LEU 124 3HD2 LEU 124 -8.985 -6.434 -11.788 1030 HD22 LEU 124 1HD2 LEU 124 -7.637 -5.351 -11.439 1031 HD23 LEU 124 2HD2 LEU 124 -8.424 -6.231 -10.128 1032 H TYR 125 H TYR 125 -2.761 -6.825 -10.485 1033 HA TYR 125 HA TYR 125 -2.242 -6.571 -7.712 1034 HD1 TYR 125 HD2 TYR 125 -0.267 -8.336 -6.657 1035 HD2 TYR 125 HD1 TYR 125 1.621 -5.623 -9.346 1036 HE1 TYR 125 HE2 TYR 125 1.656 -8.165 -5.130 1037 HE2 TYR 125 HE1 TYR 125 3.543 -5.448 -7.826 1038 HH TYR 125 HH TYR 125 3.998 -5.765 -5.387 1039 HB2 TYR 125 2HB TYR 125 -0.972 -8.130 -9.074 1040 HB3 TYR 125 3HB TYR 125 -0.326 -6.812 -10.044 1041 H LYS 126 H LYS 126 -1.094 -4.574 -10.458 1042 HA LYS 126 HA LYS 126 0.206 -2.644 -8.842 1043 HB2 LYS 126 2HB LYS 126 0.284 -1.260 -10.875 1044 HB3 LYS 126 3HB LYS 126 0.775 -2.919 -11.191 1045 HG2 LYS 126 2HG LYS 126 -1.579 -3.335 -12.009 1046 HG3 LYS 126 3HG LYS 126 -1.825 -1.589 -11.931 1047 HD2 LYS 126 2HD LYS 126 0.292 -3.003 -13.566 1048 HD3 LYS 126 3HD LYS 126 -1.218 -2.345 -14.195 1049 HE2 LYS 126 2HE LYS 126 -0.513 -0.093 -13.480 1050 HE3 LYS 126 3HE LYS 126 1.010 -0.766 -12.900 1051 HZ1 LYS 126 3HZ LYS 126 0.064 -0.862 -15.712 1052 HZ2 LYS 126 1HZ LYS 126 1.547 -1.436 -15.139 1053 HZ3 LYS 126 2HZ LYS 126 1.215 0.222 -15.107 1054 H ASP 127 H ASP 127 -3.114 -2.969 -9.888 1055 HA ASP 127 HA ASP 127 -4.066 -0.410 -9.201 1056 HB2 ASP 127 2HB ASP 127 -5.394 -1.980 -10.501 1057 HB3 ASP 127 3HB ASP 127 -5.449 -3.106 -9.151 1058 H MET 128 H MET 128 -3.779 -3.390 -7.256 1059 HA MET 128 HA MET 128 -4.744 -2.296 -4.826 1060 HB2 MET 128 2HB MET 128 -2.774 -4.561 -5.225 1061 HB3 MET 128 3HB MET 128 -3.666 -4.224 -3.748 1062 HG2 MET 128 2HG MET 128 -5.767 -4.671 -4.923 1063 HG3 MET 128 3HG MET 128 -4.859 -5.019 -6.393 1064 HE1 MET 128 3HE MET 128 -5.787 -6.175 -2.791 1065 HE2 MET 128 1HE MET 128 -4.041 -5.981 -2.630 1066 HE3 MET 128 2HE MET 128 -4.761 -7.589 -2.565 1067 H GLN 129 H GLN 129 -1.479 -2.585 -6.178 1068 HA GLN 129 HA GLN 129 0.048 -1.519 -4.116 1069 HB2 GLN 129 2HB GLN 129 0.999 -2.481 -6.168 1070 HB3 GLN 129 3HB GLN 129 0.369 -1.137 -7.107 1071 HG2 GLN 129 2HG GLN 129 2.689 -0.762 -6.798 1072 HG3 GLN 129 3HG GLN 129 1.835 0.385 -5.770 1073 HE21 GLN 129 1HE2 GLN 129 3.669 0.639 -4.478 1074 HE22 GLN 129 2HE2 GLN 129 4.149 -0.568 -3.342 1075 H LYS 130 H LYS 130 -1.821 0.149 -6.618 1076 HA LYS 130 HA LYS 130 -1.072 2.791 -5.873 1077 HB2 LYS 130 2HB LYS 130 -1.958 2.218 -8.101 1078 HB3 LYS 130 3HB LYS 130 -3.517 1.838 -7.383 1079 HG2 LYS 130 2HG LYS 130 -3.793 4.157 -6.695 1080 HG3 LYS 130 3HG LYS 130 -2.201 4.553 -7.344 1081 HD2 LYS 130 2HD LYS 130 -4.556 3.541 -8.954 1082 HD3 LYS 130 3HD LYS 130 -4.014 5.218 -8.872 1083 HE2 LYS 130 2HE LYS 130 -1.836 4.532 -9.821 1084 HE3 LYS 130 3HE LYS 130 -2.434 2.879 -9.954 1085 HZ1 LYS 130 3HZ LYS 130 -3.610 5.236 -11.320 1086 HZ2 LYS 130 1HZ LYS 130 -4.140 3.641 -11.469 1087 HZ3 LYS 130 2HZ LYS 130 -2.618 4.083 -12.050 1088 H ASP 131 H ASP 131 -4.067 0.907 -5.223 1089 HA ASP 131 HA ASP 131 -5.356 2.795 -3.626 1090 HB2 ASP 131 2HB ASP 131 -5.463 -0.224 -3.545 1091 HB3 ASP 131 3HB ASP 131 -6.508 0.794 -2.562 1092 H ALA 132 H ALA 132 -2.886 0.439 -2.735 1093 HA ALA 132 HA ALA 132 -3.025 0.560 0.036 1094 HB1 ALA 132 3HB ALA 132 -1.646 -1.056 -1.149 1095 HB2 ALA 132 1HB ALA 132 -0.682 -0.172 0.034 1096 HB3 ALA 132 2HB ALA 132 -0.563 0.229 -1.680 1097 H VAL 133 H VAL 133 -0.822 2.483 -2.039 1098 HA VAL 133 HA VAL 133 0.138 4.099 0.063 1099 HB VAL 133 HB VAL 133 1.365 3.874 -2.036 1100 HG11 VAL 133 1HG1 VAL 133 0.667 5.076 -4.062 1101 HG12 VAL 133 2HG1 VAL 133 -0.853 5.506 -3.277 1102 HG13 VAL 133 3HG1 VAL 133 -0.481 3.815 -3.613 1103 HG21 VAL 133 3HG2 VAL 133 1.990 6.235 -2.349 1104 HG22 VAL 133 1HG2 VAL 133 1.836 5.810 -0.644 1105 HG23 VAL 133 2HG2 VAL 133 0.558 6.725 -1.444 1106 H GLN 134 H GLN 134 -2.676 4.455 -2.037 1107 HA GLN 134 HA GLN 134 -3.287 7.141 -1.354 1108 HB2 GLN 134 2HB GLN 134 -5.159 4.923 -2.223 1109 HB3 GLN 134 3HB GLN 134 -5.572 6.630 -2.162 1110 HG2 GLN 134 2HG GLN 134 -3.522 5.334 -3.949 1111 HG3 GLN 134 3HG GLN 134 -5.089 5.981 -4.429 1112 HE21 GLN 134 1HE2 GLN 134 -1.838 6.744 -3.506 1113 HE22 GLN 134 2HE2 GLN 134 -1.889 8.409 -3.952 1114 H GLN 135 H GLN 135 -4.253 4.041 0.087 1115 HA GLN 135 HA GLN 135 -5.955 5.073 2.079 1116 HB2 GLN 135 2HB GLN 135 -4.307 2.549 1.925 1117 HB3 GLN 135 3HB GLN 135 -5.334 2.907 3.307 1118 HG2 GLN 135 2HG GLN 135 -6.341 2.771 0.469 1119 HG3 GLN 135 3HG GLN 135 -6.354 1.405 1.585 1120 HE21 GLN 135 1HE2 GLN 135 -7.795 1.416 3.317 1121 HE22 GLN 135 2HE2 GLN 135 -9.121 2.518 3.404 1122 H ILE 136 H ILE 136 -2.438 4.486 2.107 1123 HA ILE 136 HA ILE 136 -1.900 5.243 4.749 1124 HB ILE 136 HB ILE 136 -0.154 5.771 2.322 1125 HG12 ILE 136 2HG1 ILE 136 -0.211 3.398 4.215 1126 HG13 ILE 136 3HG1 ILE 136 -0.772 3.391 2.548 1127 HG21 ILE 136 1HG2 ILE 136 1.710 5.772 3.942 1128 HG22 ILE 136 2HG2 ILE 136 0.548 5.629 5.261 1129 HG23 ILE 136 3HG2 ILE 136 0.562 7.074 4.250 1130 HD11 ILE 136 3HD1 ILE 136 1.407 2.357 2.741 1131 HD12 ILE 136 1HD1 ILE 136 2.064 3.827 3.462 1132 HD13 ILE 136 2HD1 ILE 136 1.510 3.836 1.787 1133 H LEU 137 H LEU 137 -1.818 7.259 1.813 1134 HA LEU 137 HA LEU 137 -1.373 9.754 2.932 1135 HG LEU 137 HG LEU 137 -3.285 11.475 1.337 1136 HB2 LEU 137 2HB LEU 137 -1.393 9.269 0.513 1137 HB3 LEU 137 3HB LEU 137 -3.133 9.058 0.570 1138 HD11 LEU 137 1HD1 LEU 137 -1.008 11.808 2.074 1139 HD12 LEU 137 2HD1 LEU 137 -1.368 12.919 0.753 1140 HD13 LEU 137 3HD1 LEU 137 -0.396 11.478 0.452 1141 HD21 LEU 137 3HD2 LEU 137 -3.111 12.352 -0.921 1142 HD22 LEU 137 1HD2 LEU 137 -3.835 10.747 -0.935 1143 HD23 LEU 137 2HD2 LEU 137 -2.150 10.956 -1.413 1144 H ARG 138 H ARG 138 -4.478 8.153 2.329 1145 HA ARG 138 HA ARG 138 -6.193 10.183 3.179 1146 HE ARG 138 HE ARG 138 -10.090 8.789 1.642 1147 HB2 ARG 138 2HB ARG 138 -7.039 8.373 1.883 1148 HB3 ARG 138 3HB ARG 138 -6.504 7.182 3.060 1149 HG2 ARG 138 2HG ARG 138 -8.197 7.890 4.624 1150 HG3 ARG 138 3HG ARG 138 -8.666 9.226 3.570 1151 HD2 ARG 138 2HD ARG 138 -8.804 6.350 2.684 1152 HD3 ARG 138 3HD ARG 138 -10.137 7.138 3.528 1153 HH11 ARG 138 1HH1 ARG 138 -8.927 5.573 1.166 1154 HH12 ARG 138 2HH1 ARG 138 -9.341 5.560 -0.510 1155 HH21 ARG 138 1HH2 ARG 138 -10.623 8.756 -0.488 1156 HH22 ARG 138 2HH2 ARG 138 -10.281 7.354 -1.447 1157 H GLN 139 H GLN 139 -4.456 7.773 5.088 1158 HA GLN 139 HA GLN 139 -5.904 8.431 7.519 1159 HB2 GLN 139 2HB GLN 139 -3.428 6.736 7.109 1160 HB3 GLN 139 3HB GLN 139 -4.314 6.885 8.622 1161 HG2 GLN 139 2HG GLN 139 -6.308 5.926 7.502 1162 HG3 GLN 139 3HG GLN 139 -5.343 5.701 6.045 1163 HE21 GLN 139 1HE2 GLN 139 -5.548 3.479 6.046 1164 HE22 GLN 139 2HE2 GLN 139 -4.791 2.465 7.218 1165 H VAL 140 H VAL 140 -2.563 8.883 6.336 1166 HA VAL 140 HA VAL 140 -1.480 10.174 8.537 1167 HB VAL 140 HB VAL 140 -0.800 10.627 5.622 1168 HG11 VAL 140 1HG1 VAL 140 0.087 12.442 6.975 1169 HG12 VAL 140 2HG1 VAL 140 1.397 11.386 6.449 1170 HG13 VAL 140 3HG1 VAL 140 0.796 11.286 8.104 1171 HG21 VAL 140 3HG2 VAL 140 -0.612 8.282 6.321 1172 HG22 VAL 140 1HG2 VAL 140 0.431 8.762 7.662 1173 HG23 VAL 140 2HG2 VAL 140 0.974 8.982 5.997 1174 H SER 141 H SER 141 -3.060 11.703 5.716 1175 HA SER 141 HA SER 141 -2.722 14.360 6.800 1176 HG SER 141 HG SER 141 -4.080 12.448 3.882 1177 HB2 SER 141 2HB SER 141 -3.971 15.099 4.802 1178 HB3 SER 141 3HB SER 141 -2.660 13.998 4.378 1179 H ALA 142 H ALA 142 -4.666 12.073 7.914 1180 HA ALA 142 HA ALA 142 -6.909 13.926 8.448 1181 HB1 ALA 142 3HB ALA 142 -7.599 11.981 7.143 1182 HB2 ALA 142 1HB ALA 142 -8.340 11.973 8.745 1183 HB3 ALA 142 2HB ALA 142 -6.975 10.909 8.398 1184 H PHE 143 H PHE 143 -4.446 11.929 9.863 1185 HA PHE 143 HA PHE 143 -5.414 11.342 12.372 1186 HD1 PHE 143 HD1 PHE 143 -4.510 9.645 13.633 1187 HD2 PHE 143 HD2 PHE 143 -1.973 10.017 10.242 1188 HE1 PHE 143 HE1 PHE 143 -4.450 7.187 13.410 1189 HE2 PHE 143 HE2 PHE 143 -1.907 7.571 10.006 1190 HZ PHE 143 HZ PHE 143 -3.146 6.152 11.592 1191 HB2 PHE 143 2HB PHE 143 -2.661 11.924 11.352 1192 HB3 PHE 143 3HB PHE 143 -2.904 11.729 13.086 1193 H THR 144 H THR 144 -4.090 14.429 11.300 1194 HA THR 144 HA THR 144 -3.894 15.542 13.915 1195 HB THR 144 HB THR 144 -2.498 16.381 12.092 1196 HG1 THR 144 HG1 THR 144 -2.972 17.838 13.798 1197 HG21 THR 144 3HG2 THR 144 -3.434 17.776 10.309 1198 HG22 THR 144 1HG2 THR 144 -5.063 17.471 10.915 1199 HG23 THR 144 2HG2 THR 144 -4.106 16.146 10.249 1200 H SER 145 H SER 145 -6.595 15.057 11.882 1201 HA SER 145 HA SER 145 -8.104 17.274 13.097 1202 HG SER 145 HG SER 145 -10.025 17.858 11.869 1203 HB2 SER 145 2HB SER 145 -8.219 17.013 10.631 1204 HB3 SER 145 3HB SER 145 -8.952 15.424 10.853 1205 H ALA 146 H ALA 146 -7.524 14.048 13.690 1206 HA ALA 146 HA ALA 146 -8.269 12.689 15.347 1207 HB1 ALA 146 3HB ALA 146 -10.199 14.903 16.030 1208 HB2 ALA 146 1HB ALA 146 -8.567 14.717 16.673 1209 HB3 ALA 146 2HB ALA 146 -9.803 13.515 17.046 1210 H GLY 147 H GLY 147 -10.201 13.494 12.732 1211 HA2 GLY 147 2HA GLY 147 -12.556 11.986 13.502 1212 HA3 GLY 147 3HA GLY 147 -12.247 12.705 11.934 1213 H LEU 148 H LEU 148 -10.383 10.266 13.774 1214 HA LEU 148 HA LEU 148 -10.085 8.725 11.320 1215 HG LEU 148 HG LEU 148 -6.693 8.830 12.877 1216 HB2 LEU 148 2HB LEU 148 -8.842 8.408 14.055 1217 HB3 LEU 148 3HB LEU 148 -8.536 7.315 12.721 1218 HD11 LEU 148 1HD1 LEU 148 -7.380 8.241 10.614 1219 HD12 LEU 148 2HD1 LEU 148 -6.699 9.866 10.668 1220 HD13 LEU 148 3HD1 LEU 148 -8.445 9.646 10.559 1221 HD21 LEU 148 3HD2 LEU 148 -7.755 10.620 14.131 1222 HD22 LEU 148 1HD2 LEU 148 -8.701 11.078 12.714 1223 HD23 LEU 148 2HD2 LEU 148 -6.948 11.260 12.702 1224 H GLU 149 H GLU 149 -12.030 8.563 14.160 1225 HA GLU 149 HA GLU 149 -12.375 5.724 14.202 1226 HB2 GLU 149 2HB GLU 149 -14.062 7.913 15.432 1227 HB3 GLU 149 3HB GLU 149 -14.264 6.195 15.749 1228 HG2 GLU 149 2HG GLU 149 -11.812 7.836 16.381 1229 HG3 GLU 149 3HG GLU 149 -13.025 7.293 17.538 1230 H HIS 150 H HIS 150 -12.755 5.510 11.861 1231 HA HIS 150 HA HIS 150 -15.643 5.402 11.355 1232 HD1 HIS 150 HD1 HIS 150 -13.481 9.045 9.955 1233 HD2 HIS 150 HD2 HIS 150 -17.275 7.507 10.696 1234 HE1 HIS 150 HE1 HIS 150 -14.869 10.998 10.713 1235 HE2 HIS 150 HE2 HIS 150 -17.150 10.044 11.179 1236 HB2 HIS 150 2HB HIS 150 -13.604 6.617 9.471 1237 HB3 HIS 150 3HB HIS 150 -15.210 6.109 8.956 1238 H HIS 151 H HIS 151 -15.676 3.189 11.594 1239 HA HIS 151 HA HIS 151 -14.364 1.633 9.460 1240 HD1 HIS 151 HD1 HIS 151 -11.450 0.865 10.114 1241 HD2 HIS 151 HD2 HIS 151 -12.923 2.670 13.552 1242 HE1 HIS 151 HE1 HIS 151 -9.536 2.187 11.050 1243 HE2 HIS 151 HE2 HIS 151 -10.390 3.082 13.240 1244 HB2 HIS 151 2HB HIS 151 -14.475 0.717 12.349 1245 HB3 HIS 151 3HB HIS 151 -13.721 -0.128 11.003 1246 H HIS 152 H HIS 152 -15.458 -0.340 8.905 1247 HA HIS 152 HA HIS 152 -18.091 -0.767 10.162 1248 HD1 HIS 152 HD1 HIS 152 -17.691 1.652 6.474 1249 HD2 HIS 152 HD2 HIS 152 -20.330 0.790 9.564 1250 HE1 HIS 152 HE1 HIS 152 -19.024 3.750 6.825 1251 HE2 HIS 152 HE2 HIS 152 -20.741 3.131 8.554 1252 HB2 HIS 152 2HB HIS 152 -17.510 -0.692 7.193 1253 HB3 HIS 152 3HB HIS 152 -18.995 -1.341 7.878 1254 H HIS 153 H HIS 153 -16.256 -2.355 7.528 1255 HA HIS 153 HA HIS 153 -17.042 -4.941 8.558 1256 HD1 HIS 153 HD1 HIS 153 -14.142 -6.678 6.058 1257 HD2 HIS 153 HD2 HIS 153 -18.268 -6.858 6.505 1258 HE1 HIS 153 HE1 HIS 153 -14.751 -9.083 5.703 1259 HE2 HIS 153 HE2 HIS 153 -17.264 -9.116 5.754 1260 HB2 HIS 153 2HB HIS 153 -16.970 -4.325 6.102 1261 HB3 HIS 153 3HB HIS 153 -15.216 -4.391 6.211 1262 H HIS 154 H HIS 154 -15.965 -5.670 10.301 1263 HA HIS 154 HA HIS 154 -13.056 -5.278 10.498 1264 HD1 HIS 154 HD1 HIS 154 -11.840 -4.549 13.350 1265 HD2 HIS 154 HD2 HIS 154 -13.760 -8.210 13.757 1266 HE1 HIS 154 HE1 HIS 154 -10.421 -5.879 14.925 1267 HE2 HIS 154 HE2 HIS 154 -11.695 -8.015 15.295 1268 HB2 HIS 154 2HB HIS 154 -14.278 -4.581 12.452 1269 HB3 HIS 154 3HB HIS 154 -15.146 -6.108 12.524 1270 H HIS 155 H HIS 155 -11.621 -6.987 10.788 1271 HA HIS 155 HA HIS 155 -12.516 -9.711 11.030 1272 HD1 HIS 155 HD1 HIS 155 -12.638 -11.977 10.079 1273 HD2 HIS 155 HD2 HIS 155 -9.753 -10.847 7.309 1274 HE1 HIS 155 HE1 HIS 155 -11.531 -14.104 9.356 1275 HE2 HIS 155 HE2 HIS 155 -9.927 -13.416 7.552 1276 HB2 HIS 155 2HB HIS 155 -12.828 -9.419 8.616 1277 HB3 HIS 155 3HB HIS 155 -11.172 -8.846 8.450 Start of MODEL 8 1 HA MET 1 HA MET 1 -10.260 38.799 -4.995 2 H1 MET 1 1H MET 1 -10.666 39.148 -7.908 3 H2 MET 1 2H MET 1 -9.182 38.978 -7.116 4 H3 MET 1 3H MET 1 -10.137 40.343 -6.830 5 HB2 MET 1 2HB MET 1 -12.737 38.599 -4.895 6 HB3 MET 1 3HB MET 1 -12.191 40.192 -5.393 7 HG2 MET 1 2HG MET 1 -12.683 39.624 -7.726 8 HG3 MET 1 3HG MET 1 -13.258 38.037 -7.212 9 HE1 MET 1 3HE MET 1 -15.529 38.519 -8.526 10 HE2 MET 1 1HE MET 1 -14.999 40.138 -8.980 11 HE3 MET 1 2HE MET 1 -16.571 39.906 -8.216 12 H GLY 2 H GLY 2 -11.475 36.747 -4.251 13 HA2 GLY 2 2HA GLY 2 -11.795 34.445 -4.434 14 HA3 GLY 2 3HA GLY 2 -11.475 34.561 -6.157 15 H PHE 3 H PHE 3 -9.671 35.154 -3.144 16 HA PHE 3 HA PHE 3 -7.145 34.617 -4.336 17 HD1 PHE 3 HD2 PHE 3 -9.477 36.623 -1.701 18 HD2 PHE 3 HD1 PHE 3 -5.476 36.916 -3.137 19 HE1 PHE 3 HE2 PHE 3 -9.747 39.054 -1.947 20 HE2 PHE 3 HE1 PHE 3 -5.743 39.349 -3.385 21 HZ PHE 3 HZ PHE 3 -7.880 40.420 -2.789 22 HB2 PHE 3 2HB PHE 3 -7.875 34.790 -1.399 23 HB3 PHE 3 3HB PHE 3 -6.249 34.899 -2.069 24 H LYS 4 H LYS 4 -5.589 32.992 -3.555 25 HA LYS 4 HA LYS 4 -6.836 30.360 -3.449 26 HB2 LYS 4 2HB LYS 4 -3.936 31.169 -3.750 27 HB3 LYS 4 3HB LYS 4 -4.526 29.514 -3.802 28 HG2 LYS 4 2HG LYS 4 -5.892 30.109 -5.789 29 HG3 LYS 4 3HG LYS 4 -5.170 31.722 -5.755 30 HD2 LYS 4 2HD LYS 4 -4.016 30.294 -7.375 31 HD3 LYS 4 3HD LYS 4 -2.937 30.724 -6.046 32 HE2 LYS 4 2HE LYS 4 -3.421 28.533 -4.995 33 HE3 LYS 4 3HE LYS 4 -4.408 28.105 -6.391 34 HZ1 LYS 4 3HZ LYS 4 -2.439 28.321 -7.788 35 HZ2 LYS 4 1HZ LYS 4 -2.196 27.174 -6.570 36 HZ3 LYS 4 2HZ LYS 4 -1.501 28.707 -6.438 37 H LEU 5 H LEU 5 -7.526 29.941 -1.363 38 HA LEU 5 HA LEU 5 -5.697 30.218 0.884 39 HG LEU 5 HG LEU 5 -9.125 30.807 2.259 40 HB2 LEU 5 2HB LEU 5 -8.459 28.991 0.679 41 HB3 LEU 5 3HB LEU 5 -7.531 29.041 2.163 42 HD11 LEU 5 1HD1 LEU 5 -7.719 32.798 2.445 43 HD12 LEU 5 2HD1 LEU 5 -6.433 31.975 1.562 44 HD13 LEU 5 3HD1 LEU 5 -6.940 31.379 3.144 45 HD21 LEU 5 3HD2 LEU 5 -9.664 30.989 -0.112 46 HD22 LEU 5 1HD2 LEU 5 -8.103 31.749 -0.423 47 HD23 LEU 5 2HD2 LEU 5 -9.303 32.573 0.576 48 H ARG 6 H ARG 6 -7.603 27.303 0.137 49 HA ARG 6 HA ARG 6 -5.263 25.626 0.473 50 HE ARG 6 HE ARG 6 -7.339 22.164 2.220 51 HB2 ARG 6 2HB ARG 6 -7.350 24.784 1.375 52 HB3 ARG 6 3HB ARG 6 -8.147 24.956 -0.186 53 HG2 ARG 6 2HG ARG 6 -6.565 23.250 -1.102 54 HG3 ARG 6 3HG ARG 6 -5.958 23.008 0.536 55 HD2 ARG 6 2HD ARG 6 -8.874 22.703 -0.156 56 HD3 ARG 6 3HD ARG 6 -7.726 21.377 -0.328 57 HH11 ARG 6 1HH1 ARG 6 -10.217 21.371 0.478 58 HH12 ARG 6 2HH1 ARG 6 -10.997 20.726 1.874 59 HH21 ARG 6 1HH2 ARG 6 -8.335 21.318 3.968 60 HH22 ARG 6 2HH2 ARG 6 -9.945 20.691 3.840 61 H GLY 7 H GLY 7 -3.926 26.241 -1.270 62 HA2 GLY 7 2HA GLY 7 -4.789 26.253 -3.985 63 HA3 GLY 7 3HA GLY 7 -3.123 26.212 -3.432 64 H GLN 8 H GLN 8 -2.909 23.877 -2.127 65 HA GLN 8 HA GLN 8 -2.907 21.958 -4.268 66 HB2 GLN 8 2HB GLN 8 -1.755 20.495 -2.663 67 HB3 GLN 8 3HB GLN 8 -1.018 22.090 -2.722 68 HG2 GLN 8 2HG GLN 8 -2.318 22.675 -0.662 69 HG3 GLN 8 3HG GLN 8 -2.823 20.988 -0.576 70 HE21 GLN 8 1HE2 GLN 8 -1.263 19.406 -0.106 71 HE22 GLN 8 2HE2 GLN 8 0.246 19.817 0.624 72 H VAL 9 H VAL 9 -3.913 19.875 -4.233 73 HA VAL 9 HA VAL 9 -6.629 19.908 -3.702 74 HB VAL 9 HB VAL 9 -5.668 18.389 -5.323 75 HG11 VAL 9 1HG1 VAL 9 -4.463 16.357 -4.661 76 HG12 VAL 9 2HG1 VAL 9 -4.499 16.883 -2.978 77 HG13 VAL 9 3HG1 VAL 9 -3.597 17.814 -4.174 78 HG21 VAL 9 3HG2 VAL 9 -7.104 16.887 -3.124 79 HG22 VAL 9 1HG2 VAL 9 -6.945 16.355 -4.799 80 HG23 VAL 9 2HG2 VAL 9 -7.859 17.814 -4.421 81 H SER 10 H SER 10 -4.095 18.371 -1.693 82 HA SER 10 HA SER 10 -5.936 18.446 0.593 83 HG SER 10 HG SER 10 -4.708 15.662 1.933 84 HB2 SER 10 2HB SER 10 -6.096 16.160 -0.405 85 HB3 SER 10 3HB SER 10 -4.365 15.956 -0.140 86 H GLU 11 H GLU 11 -4.913 18.578 2.631 87 HA GLU 11 HA GLU 11 -2.027 19.199 2.479 88 HB2 GLU 11 2HB GLU 11 -2.310 21.080 3.905 89 HB3 GLU 11 3HB GLU 11 -3.539 21.214 2.657 90 HG2 GLU 11 2HG GLU 11 -4.071 20.099 5.410 91 HG3 GLU 11 3HG GLU 11 -4.273 21.794 4.988 92 H LEU 12 H LEU 12 -1.037 19.379 4.719 93 HA LEU 12 HA LEU 12 -2.192 17.906 6.880 94 HG LEU 12 HG LEU 12 -0.651 16.533 3.945 95 HB2 LEU 12 2HB LEU 12 0.036 16.401 6.886 96 HB3 LEU 12 3HB LEU 12 -1.472 15.883 6.165 97 HD11 LEU 12 1HD1 LEU 12 1.697 17.122 3.607 98 HD12 LEU 12 2HD1 LEU 12 1.922 17.218 5.355 99 HD13 LEU 12 3HD1 LEU 12 0.840 18.347 4.542 100 HD21 LEU 12 3HD2 LEU 12 1.005 14.757 3.698 101 HD22 LEU 12 1HD2 LEU 12 -0.318 14.254 4.750 102 HD23 LEU 12 2HD2 LEU 12 1.236 14.718 5.446 103 HA PRO 13 HA PRO 13 0.110 20.805 9.183 104 HB2 PRO 13 2HB PRO 13 0.747 19.416 11.471 105 HB3 PRO 13 3HB PRO 13 -0.851 20.079 11.119 106 HG2 PRO 13 2HG PRO 13 0.161 17.284 10.748 107 HG3 PRO 13 3HG PRO 13 -1.396 17.831 11.399 108 HD2 PRO 13 2HD PRO 13 -1.169 16.928 8.880 109 HD3 PRO 13 3HD PRO 13 -2.264 18.267 9.286 110 H PHE 14 H PHE 14 1.746 17.731 8.669 111 HA PHE 14 HA PHE 14 4.345 18.961 9.272 112 HD1 PHE 14 HD2 PHE 14 4.078 15.142 7.172 113 HD2 PHE 14 HD1 PHE 14 2.046 16.069 10.801 114 HE1 PHE 14 HE2 PHE 14 2.432 13.378 6.701 115 HE2 PHE 14 HE1 PHE 14 0.399 14.302 10.333 116 HZ PHE 14 HZ PHE 14 0.590 12.957 8.283 117 HB2 PHE 14 2HB PHE 14 5.139 16.506 8.928 118 HB3 PHE 14 3HB PHE 14 4.259 16.919 10.393 119 H GLU 15 H GLU 15 5.606 19.694 7.686 120 HA GLU 15 HA GLU 15 4.963 18.953 4.909 121 HB2 GLU 15 2HB GLU 15 6.535 21.028 4.482 122 HB3 GLU 15 3HB GLU 15 4.850 21.241 4.915 123 HG2 GLU 15 2HG GLU 15 6.382 22.778 6.099 124 HG3 GLU 15 3HG GLU 15 5.411 21.777 7.176 125 H ARG 16 H ARG 16 7.074 17.938 7.166 126 HA ARG 16 HA ARG 16 8.978 17.023 5.130 127 HE ARG 16 HE ARG 16 9.617 20.251 10.096 128 HB2 ARG 16 2HB ARG 16 10.889 17.470 6.706 129 HB3 ARG 16 3HB ARG 16 10.130 18.914 6.043 130 HG2 ARG 16 2HG ARG 16 8.821 19.122 8.146 131 HG3 ARG 16 3HG ARG 16 9.733 17.763 8.798 132 HD2 ARG 16 2HD ARG 16 11.796 19.005 8.632 133 HD3 ARG 16 3HD ARG 16 10.970 20.338 7.819 134 HH11 ARG 16 1HH1 ARG 16 13.017 20.029 9.592 135 HH12 ARG 16 2HH1 ARG 16 13.396 20.803 11.090 136 HH21 ARG 16 1HH2 ARG 16 10.116 21.239 12.010 137 HH22 ARG 16 2HH2 ARG 16 11.775 21.504 12.435 138 H VAL 17 H VAL 17 9.023 14.880 5.209 139 HA VAL 17 HA VAL 17 8.875 13.516 7.822 140 HB VAL 17 HB VAL 17 7.481 11.731 6.803 141 HG11 VAL 17 1HG1 VAL 17 6.428 13.458 8.155 142 HG12 VAL 17 2HG1 VAL 17 5.359 12.988 6.833 143 HG13 VAL 17 3HG1 VAL 17 6.265 14.499 6.741 144 HG21 VAL 17 3HG2 VAL 17 8.036 12.077 4.450 145 HG22 VAL 17 1HG2 VAL 17 7.247 13.655 4.478 146 HG23 VAL 17 2HG2 VAL 17 6.292 12.186 4.689 147 H TYR 18 H TYR 18 9.982 11.549 7.986 148 HA TYR 18 HA TYR 18 11.841 10.953 5.767 149 HD1 TYR 18 HD1 TYR 18 14.503 10.852 5.820 150 HD2 TYR 18 HD2 TYR 18 13.236 8.481 9.126 151 HE1 TYR 18 HE1 TYR 18 16.348 9.284 5.400 152 HE2 TYR 18 HE2 TYR 18 15.079 6.912 8.710 153 HH TYR 18 HH TYR 18 17.676 7.628 6.660 154 HB2 TYR 18 2HB TYR 18 13.011 11.755 7.751 155 HB3 TYR 18 3HB TYR 18 12.202 10.552 8.749 156 H ILE 19 H ILE 19 11.314 9.144 4.702 157 HA ILE 19 HA ILE 19 9.720 7.063 5.975 158 HB ILE 19 HB ILE 19 9.158 7.718 3.684 159 HG12 ILE 19 2HG1 ILE 19 10.263 4.897 3.882 160 HG13 ILE 19 3HG1 ILE 19 8.653 5.422 4.367 161 HG21 ILE 19 1HG2 ILE 19 11.890 6.675 2.924 162 HG22 ILE 19 2HG2 ILE 19 11.391 8.367 2.927 163 HG23 ILE 19 3HG2 ILE 19 10.643 7.230 1.807 164 HD11 ILE 19 3HD1 ILE 19 8.560 4.278 2.248 165 HD12 ILE 19 1HD1 ILE 19 9.753 5.382 1.561 166 HD13 ILE 19 2HD1 ILE 19 8.157 5.981 2.024 167 H THR 20 H THR 20 10.472 5.112 6.666 168 HA THR 20 HA THR 20 13.165 4.263 5.836 169 HB THR 20 HB THR 20 13.603 5.201 7.978 170 HG1 THR 20 HG1 THR 20 14.621 3.492 8.759 171 HG21 THR 20 3HG2 THR 20 12.416 4.549 10.024 172 HG22 THR 20 1HG2 THR 20 11.313 3.558 9.071 173 HG23 THR 20 2HG2 THR 20 11.327 5.310 8.864 174 H ALA 21 H ALA 21 12.701 2.532 4.642 175 HA ALA 21 HA ALA 21 10.890 0.464 5.711 176 HB1 ALA 21 3HB ALA 21 10.864 -0.445 3.432 177 HB2 ALA 21 1HB ALA 21 12.005 0.799 2.919 178 HB3 ALA 21 2HB ALA 21 10.384 1.251 3.450 179 HA PRO 22 HA PRO 22 14.451 -1.874 7.043 180 HB2 PRO 22 2HB PRO 22 13.241 -4.375 7.015 181 HB3 PRO 22 3HB PRO 22 13.125 -3.212 8.340 182 HG2 PRO 22 2HG PRO 22 11.203 -3.727 6.097 183 HG3 PRO 22 3HG PRO 22 10.865 -3.453 7.818 184 HD2 PRO 22 2HD PRO 22 10.519 -1.500 6.037 185 HD3 PRO 22 3HD PRO 22 11.204 -1.146 7.640 186 H ALA 23 H ALA 23 12.577 -2.950 4.231 187 HA ALA 23 HA ALA 23 15.061 -3.706 2.871 188 HB1 ALA 23 3HB ALA 23 14.153 -5.842 2.129 189 HB2 ALA 23 1HB ALA 23 12.672 -5.550 3.047 190 HB3 ALA 23 2HB ALA 23 14.204 -5.773 3.891 191 H GLY 24 H GLY 24 14.494 -4.332 0.488 192 HA2 GLY 24 2HA GLY 24 13.191 -2.114 -0.718 193 HA3 GLY 24 3HA GLY 24 13.774 -3.549 -1.548 194 H LEU 25 H LEU 25 11.089 -2.248 0.328 195 HA LEU 25 HA LEU 25 9.314 -4.410 -0.517 196 HG LEU 25 HG LEU 25 10.407 -3.598 2.260 197 HB2 LEU 25 2HB LEU 25 8.782 -1.987 1.219 198 HB3 LEU 25 3HB LEU 25 7.684 -3.334 0.973 199 HD11 LEU 25 1HD1 LEU 25 9.200 -3.767 4.389 200 HD12 LEU 25 2HD1 LEU 25 7.692 -3.376 3.562 201 HD13 LEU 25 3HD1 LEU 25 8.993 -2.184 3.638 202 HD21 LEU 25 3HD2 LEU 25 8.060 -5.498 2.151 203 HD22 LEU 25 1HD2 LEU 25 9.592 -5.780 2.980 204 HD23 LEU 25 2HD2 LEU 25 9.552 -5.649 1.223 205 H THR 26 H THR 26 8.069 -4.265 -2.313 206 HA THR 26 HA THR 26 7.903 -1.947 -3.934 207 HB THR 26 HB THR 26 6.088 -3.154 -5.169 208 HG1 THR 26 HG1 THR 26 5.148 -4.319 -3.463 209 HG21 THR 26 3HG2 THR 26 7.501 -5.008 -5.954 210 HG22 THR 26 1HG2 THR 26 8.544 -4.807 -4.547 211 HG23 THR 26 2HG2 THR 26 8.437 -3.527 -5.755 212 H ILE 27 H ILE 27 7.291 -0.408 -2.308 213 HA ILE 27 HA ILE 27 4.609 0.401 -2.299 214 HB ILE 27 HB ILE 27 4.313 -1.561 -0.778 215 HG12 ILE 27 2HG1 ILE 27 3.187 -0.289 1.101 216 HG13 ILE 27 3HG1 ILE 27 3.882 1.187 0.438 217 HG21 ILE 27 1HG2 ILE 27 6.181 -0.062 1.066 218 HG22 ILE 27 2HG2 ILE 27 6.499 -1.605 0.271 219 HG23 ILE 27 3HG2 ILE 27 5.241 -1.491 1.500 220 HD11 ILE 27 3HD1 ILE 27 1.581 0.918 -0.260 221 HD12 ILE 27 1HD1 ILE 27 1.955 -0.655 -0.963 222 HD13 ILE 27 2HD1 ILE 27 2.660 0.809 -1.650 223 H GLY 28 H GLY 28 7.726 0.381 -0.654 224 HA2 GLY 28 2HA GLY 28 7.504 2.887 0.665 225 HA3 GLY 28 3HA GLY 28 8.999 2.040 0.304 226 H SER 29 H SER 29 9.121 2.008 -2.398 227 HA SER 29 HA SER 29 10.037 4.495 -3.186 228 HG SER 29 HG SER 29 10.879 3.571 -6.127 229 HB2 SER 29 2HB SER 29 10.561 2.427 -4.410 230 HB3 SER 29 3HB SER 29 8.891 2.316 -4.967 231 H ASP 30 H ASP 30 6.817 3.098 -3.778 232 HA ASP 30 HA ASP 30 5.731 5.361 -5.096 233 HB2 ASP 30 2HB ASP 30 4.246 3.263 -3.491 234 HB3 ASP 30 3HB ASP 30 3.579 4.292 -4.757 235 H LEU 31 H LEU 31 5.648 4.286 -1.715 236 HA LEU 31 HA LEU 31 4.016 6.225 -0.595 237 HG LEU 31 HG LEU 31 5.578 6.742 2.103 238 HB2 LEU 31 2HB LEU 31 4.906 4.217 0.569 239 HB3 LEU 31 3HB LEU 31 6.481 4.984 0.642 240 HD11 LEU 31 1HD1 LEU 31 3.286 6.765 1.247 241 HD12 LEU 31 2HD1 LEU 31 3.324 6.590 3.001 242 HD13 LEU 31 3HD1 LEU 31 2.992 5.188 1.982 243 HD21 LEU 31 3HD2 LEU 31 5.187 5.364 4.089 244 HD22 LEU 31 1HD2 LEU 31 6.526 4.746 3.126 245 HD23 LEU 31 2HD2 LEU 31 4.956 3.947 3.064 246 H GLU 32 H GLU 32 7.464 6.401 -1.367 247 HA GLU 32 HA GLU 32 8.054 8.890 -0.247 248 HB2 GLU 32 2HB GLU 32 9.172 7.563 -2.727 249 HB3 GLU 32 3HB GLU 32 9.856 9.014 -2.005 250 HG2 GLU 32 2HG GLU 32 10.392 7.807 0.020 251 HG3 GLU 32 3HG GLU 32 9.585 6.365 -0.593 252 H ARG 33 H ARG 33 6.948 8.153 -3.565 253 HA ARG 33 HA ARG 33 6.871 10.890 -4.377 254 HE ARG 33 HE ARG 33 9.387 7.876 -7.625 255 HB2 ARG 33 2HB ARG 33 5.557 8.467 -5.627 256 HB3 ARG 33 3HB ARG 33 5.676 10.052 -6.381 257 HG2 ARG 33 2HG ARG 33 8.159 9.848 -6.262 258 HG3 ARG 33 3HG ARG 33 7.948 8.193 -5.688 259 HD2 ARG 33 2HD ARG 33 6.670 7.693 -7.766 260 HD3 ARG 33 3HD ARG 33 7.036 9.320 -8.341 261 HH11 ARG 33 1HH1 ARG 33 7.072 8.332 -10.139 262 HH12 ARG 33 2HH1 ARG 33 8.133 7.740 -11.369 263 HH21 ARG 33 1HH2 ARG 33 10.734 7.113 -9.224 264 HH22 ARG 33 2HH2 ARG 33 10.165 7.054 -10.861 265 H VAL 34 H VAL 34 4.208 8.576 -3.770 266 HA VAL 34 HA VAL 34 2.050 10.122 -4.367 267 HB VAL 34 HB VAL 34 2.238 8.151 -2.076 268 HG11 VAL 34 1HG1 VAL 34 -0.204 7.900 -2.336 269 HG12 VAL 34 2HG1 VAL 34 -0.205 9.218 -3.510 270 HG13 VAL 34 3HG1 VAL 34 0.243 9.531 -1.833 271 HG21 VAL 34 3HG2 VAL 34 1.385 7.768 -4.952 272 HG22 VAL 34 1HG2 VAL 34 1.354 6.534 -3.695 273 HG23 VAL 34 2HG2 VAL 34 2.894 7.200 -4.235 274 H ILE 35 H ILE 35 3.650 10.060 -1.185 275 HA ILE 35 HA ILE 35 1.929 12.036 -0.033 276 HB ILE 35 HB ILE 35 4.551 10.810 0.808 277 HG12 ILE 35 2HG1 ILE 35 3.203 9.973 2.693 278 HG13 ILE 35 3HG1 ILE 35 1.799 10.847 2.095 279 HG21 ILE 35 1HG2 ILE 35 4.729 13.122 1.513 280 HG22 ILE 35 2HG2 ILE 35 4.440 12.090 2.914 281 HG23 ILE 35 3HG2 ILE 35 3.122 13.051 2.242 282 HD11 ILE 35 3HD1 ILE 35 3.188 8.583 0.675 283 HD12 ILE 35 1HD1 ILE 35 1.749 9.438 0.119 284 HD13 ILE 35 2HD1 ILE 35 1.685 8.470 1.591 285 H SER 36 H SER 36 5.319 12.223 -1.213 286 HA SER 36 HA SER 36 5.614 14.973 -0.607 287 HG SER 36 HG SER 36 7.216 12.274 -2.723 288 HB2 SER 36 2HB SER 36 7.687 14.890 -1.855 289 HB3 SER 36 3HB SER 36 7.521 13.404 -0.920 290 H THR 37 H THR 37 4.085 13.438 -3.292 291 HA THR 37 HA THR 37 4.264 15.849 -4.963 292 HB THR 37 HB THR 37 3.223 14.514 -6.739 293 HG1 THR 37 HG1 THR 37 3.219 12.085 -6.013 294 HG21 THR 37 3HG2 THR 37 5.657 14.429 -6.529 295 HG22 THR 37 1HG2 THR 37 5.031 12.870 -7.064 296 HG23 THR 37 2HG2 THR 37 5.526 13.091 -5.386 297 H HIS 38 H HIS 38 1.762 13.737 -3.527 298 HA HIS 38 HA HIS 38 -0.367 15.449 -4.504 299 HD1 HIS 38 HD1 HIS 38 -2.563 13.419 -5.742 300 HD2 HIS 38 HD2 HIS 38 1.000 11.546 -4.729 301 HE1 HIS 38 HE1 HIS 38 -2.074 11.847 -7.631 302 HE2 HIS 38 HE2 HIS 38 0.151 10.823 -7.061 303 HB2 HIS 38 2HB HIS 38 -0.440 12.998 -2.731 304 HB3 HIS 38 3HB HIS 38 -1.867 13.840 -3.325 305 H THR 39 H THR 39 1.530 15.347 -1.629 306 HA THR 39 HA THR 39 -0.308 17.319 -0.405 307 HB THR 39 HB THR 39 0.187 16.542 1.823 308 HG1 THR 39 HG1 THR 39 1.756 14.474 0.668 309 HG21 THR 39 3HG2 THR 39 -0.556 14.189 0.087 310 HG22 THR 39 1HG2 THR 39 -1.667 15.418 0.696 311 HG23 THR 39 2HG2 THR 39 -0.848 14.334 1.821 312 H ARG 40 H ARG 40 1.172 18.161 1.716 313 HA ARG 40 HA ARG 40 3.317 19.623 0.371 314 HE ARG 40 HE ARG 40 2.101 23.062 0.756 315 HB2 ARG 40 2HB ARG 40 1.573 20.860 1.619 316 HB3 ARG 40 3HB ARG 40 2.068 20.054 3.099 317 HG2 ARG 40 2HG ARG 40 2.951 22.321 2.984 318 HG3 ARG 40 3HG ARG 40 4.255 21.134 2.970 319 HD2 ARG 40 2HD ARG 40 4.683 22.915 1.363 320 HD3 ARG 40 3HD ARG 40 4.456 21.372 0.540 321 HH11 ARG 40 1HH1 ARG 40 4.756 22.042 -1.189 322 HH12 ARG 40 2HH1 ARG 40 4.026 22.599 -2.656 323 HH21 ARG 40 1HH2 ARG 40 1.193 23.782 -1.121 324 HH22 ARG 40 2HH2 ARG 40 2.041 23.582 -2.620 325 H ALA 41 H ALA 41 3.075 16.877 2.270 326 HA ALA 41 HA ALA 41 5.408 17.268 3.921 327 HB1 ALA 41 3HB ALA 41 3.789 14.784 3.355 328 HB2 ALA 41 1HB ALA 41 3.611 15.866 4.736 329 HB3 ALA 41 2HB ALA 41 5.080 14.904 4.553 330 H LYS 42 H LYS 42 7.267 17.539 2.747 331 HA LYS 42 HA LYS 42 7.866 15.800 0.506 332 HB2 LYS 42 2HB LYS 42 8.556 18.155 0.421 333 HB3 LYS 42 3HB LYS 42 9.563 17.922 1.844 334 HG2 LYS 42 2HG LYS 42 10.873 17.937 -0.236 335 HG3 LYS 42 3HG LYS 42 11.007 16.400 0.624 336 HD2 LYS 42 2HD LYS 42 9.287 15.444 -0.889 337 HD3 LYS 42 3HD LYS 42 9.251 16.971 -1.774 338 HE2 LYS 42 2HE LYS 42 11.723 15.271 -1.436 339 HE3 LYS 42 3HE LYS 42 10.651 15.186 -2.831 340 HZ1 LYS 42 3HZ LYS 42 12.569 16.609 -3.233 341 HZ2 LYS 42 1HZ LYS 42 12.115 17.613 -1.948 342 HZ3 LYS 42 2HZ LYS 42 11.128 17.488 -3.313 343 H VAL 43 H VAL 43 9.074 14.004 0.540 344 HA VAL 43 HA VAL 43 9.957 12.878 3.014 345 HB VAL 43 HB VAL 43 10.431 11.942 0.173 346 HG11 VAL 43 1HG1 VAL 43 12.086 10.993 1.703 347 HG12 VAL 43 2HG1 VAL 43 10.947 9.758 1.167 348 HG13 VAL 43 3HG1 VAL 43 10.797 10.455 2.781 349 HG21 VAL 43 3HG2 VAL 43 8.604 10.358 0.629 350 HG22 VAL 43 1HG2 VAL 43 8.059 12.032 0.741 351 HG23 VAL 43 2HG2 VAL 43 8.357 11.101 2.209 352 H VAL 44 H VAL 44 11.793 13.354 4.013 353 HA VAL 44 HA VAL 44 14.015 14.574 2.555 354 HB VAL 44 HB VAL 44 14.966 15.038 4.791 355 HG11 VAL 44 1HG1 VAL 44 13.298 16.700 5.486 356 HG12 VAL 44 2HG1 VAL 44 12.094 15.924 4.452 357 HG13 VAL 44 3HG1 VAL 44 13.515 16.688 3.735 358 HG21 VAL 44 3HG2 VAL 44 14.062 13.108 5.991 359 HG22 VAL 44 1HG2 VAL 44 12.430 13.761 5.832 360 HG23 VAL 44 2HG2 VAL 44 13.632 14.613 6.802 361 H ASN 45 H ASN 45 16.244 13.909 3.054 362 HA ASN 45 HA ASN 45 16.483 11.016 2.843 363 HB2 ASN 45 2HB ASN 45 17.640 12.589 1.279 364 HB3 ASN 45 3HB ASN 45 18.636 13.138 2.623 365 HD21 ASN 45 1HD2 ASN 45 20.303 11.851 3.327 366 HD22 ASN 45 2HD2 ASN 45 20.804 10.419 2.503 367 H LYS 46 H LYS 46 16.546 13.179 5.387 368 HA LYS 46 HA LYS 46 17.675 11.186 7.157 369 HB2 LYS 46 2HB LYS 46 19.364 12.562 8.169 370 HB3 LYS 46 3HB LYS 46 19.664 12.509 6.439 371 HG2 LYS 46 2HG LYS 46 18.284 14.787 7.855 372 HG3 LYS 46 3HG LYS 46 20.009 14.740 7.489 373 HD2 LYS 46 2HD LYS 46 19.486 14.600 5.091 374 HD3 LYS 46 3HD LYS 46 17.760 14.654 5.464 375 HE2 LYS 46 2HE LYS 46 18.635 16.850 4.768 376 HE3 LYS 46 3HE LYS 46 17.995 16.873 6.410 377 HZ1 LYS 46 3HZ LYS 46 20.190 16.831 7.298 378 HZ2 LYS 46 1HZ LYS 46 20.145 18.053 6.127 379 HZ3 LYS 46 2HZ LYS 46 20.879 16.573 5.774 380 H ALA 47 H ALA 47 16.976 11.379 9.304 381 HA ALA 47 HA ALA 47 14.483 12.832 9.514 382 HB1 ALA 47 3HB ALA 47 15.781 10.950 11.479 383 HB2 ALA 47 1HB ALA 47 14.638 10.499 10.215 384 HB3 ALA 47 2HB ALA 47 14.120 11.539 11.541 385 H GLU 48 H GLU 48 17.677 13.533 10.487 386 HA GLU 48 HA GLU 48 17.229 14.699 13.003 387 HB2 GLU 48 2HB GLU 48 19.407 15.864 12.645 388 HB3 GLU 48 3HB GLU 48 19.461 14.129 12.392 389 HG2 GLU 48 2HG GLU 48 20.757 14.984 10.671 390 HG3 GLU 48 3HG GLU 48 19.208 14.663 9.899 391 H LYS 49 H LYS 49 16.735 16.021 9.797 392 HA LYS 49 HA LYS 49 15.861 18.558 11.045 393 HB2 LYS 49 2HB LYS 49 17.780 18.692 9.417 394 HB3 LYS 49 3HB LYS 49 16.680 18.148 8.159 395 HG2 LYS 49 2HG LYS 49 15.339 20.139 8.398 396 HG3 LYS 49 3HG LYS 49 16.290 20.657 9.790 397 HD2 LYS 49 2HD LYS 49 16.939 21.867 7.756 398 HD3 LYS 49 3HD LYS 49 18.267 20.887 8.374 399 HE2 LYS 49 2HE LYS 49 17.708 19.140 6.710 400 HE3 LYS 49 3HE LYS 49 16.444 20.188 6.069 401 HZ1 LYS 49 3HZ LYS 49 18.425 20.368 4.740 402 HZ2 LYS 49 1HZ LYS 49 19.357 20.770 6.095 403 HZ3 LYS 49 2HZ LYS 49 18.162 21.832 5.544 404 H SER 50 H SER 50 14.424 15.941 10.571 405 HA SER 50 HA SER 50 12.257 16.772 8.770 406 HG SER 50 HG SER 50 10.875 13.485 9.410 407 HB2 SER 50 2HB SER 50 13.052 14.466 8.523 408 HB3 SER 50 3HB SER 50 12.721 14.146 10.223 409 H GLU 51 H GLU 51 9.971 16.042 9.668 410 HA GLU 51 HA GLU 51 9.733 17.049 12.439 411 HB2 GLU 51 2HB GLU 51 8.580 18.231 10.372 412 HB3 GLU 51 3HB GLU 51 7.381 16.960 10.572 413 HG2 GLU 51 2HG GLU 51 6.610 18.859 11.767 414 HG3 GLU 51 3HG GLU 51 7.146 17.681 12.965 415 H ALA 52 H ALA 52 8.732 14.536 10.182 416 HA ALA 52 HA ALA 52 7.974 12.844 12.468 417 HB1 ALA 52 3HB ALA 52 5.895 13.740 11.534 418 HB2 ALA 52 1HB ALA 52 6.013 11.998 11.283 419 HB3 ALA 52 2HB ALA 52 6.331 13.107 9.947 420 H ILE 53 H ILE 53 7.848 10.509 11.877 421 HA ILE 53 HA ILE 53 9.611 9.775 9.621 422 HB ILE 53 HB ILE 53 9.671 8.613 12.422 423 HG12 ILE 53 2HG1 ILE 53 11.810 10.039 10.809 424 HG13 ILE 53 3HG1 ILE 53 10.919 10.724 12.162 425 HG21 ILE 53 1HG2 ILE 53 11.427 7.096 11.595 426 HG22 ILE 53 2HG2 ILE 53 11.158 7.691 9.956 427 HG23 ILE 53 3HG2 ILE 53 9.881 6.813 10.797 428 HD11 ILE 53 3HD1 ILE 53 11.908 9.064 13.654 429 HD12 ILE 53 1HD1 ILE 53 13.141 10.023 12.836 430 HD13 ILE 53 2HD1 ILE 53 12.802 8.377 12.298 431 H ILE 54 H ILE 54 8.764 8.272 8.293 432 HA ILE 54 HA ILE 54 6.404 6.750 9.193 433 HB ILE 54 HB ILE 54 7.302 7.317 6.353 434 HG12 ILE 54 2HG1 ILE 54 5.021 8.532 7.948 435 HG13 ILE 54 3HG1 ILE 54 6.523 9.353 7.541 436 HG21 ILE 54 1HG2 ILE 54 5.098 6.431 5.717 437 HG22 ILE 54 2HG2 ILE 54 4.766 6.048 7.407 438 HG23 ILE 54 3HG2 ILE 54 6.068 5.217 6.553 439 HD11 ILE 54 3HD1 ILE 54 4.746 10.062 6.075 440 HD12 ILE 54 1HD1 ILE 54 4.432 8.395 5.596 441 HD13 ILE 54 2HD1 ILE 54 5.956 9.168 5.158 442 H GLN 55 H GLN 55 7.029 4.816 9.943 443 HA GLN 55 HA GLN 55 9.193 3.369 8.555 444 HB2 GLN 55 2HB GLN 55 9.604 3.814 10.929 445 HB3 GLN 55 3HB GLN 55 8.099 3.014 11.357 446 HG2 GLN 55 2HG GLN 55 8.983 0.897 10.477 447 HG3 GLN 55 3HG GLN 55 10.500 1.704 10.083 448 HE21 GLN 55 1HE2 GLN 55 9.961 -0.537 11.891 449 HE22 GLN 55 2HE2 GLN 55 10.574 -0.054 13.430 450 H ILE 56 H ILE 56 8.100 2.282 6.931 451 HA ILE 56 HA ILE 56 5.712 0.752 7.505 452 HB ILE 56 HB ILE 56 6.089 1.865 5.305 453 HG12 ILE 56 2HG1 ILE 56 4.540 -0.140 5.637 454 HG13 ILE 56 3HG1 ILE 56 5.020 0.223 3.986 455 HG21 ILE 56 1HG2 ILE 56 8.457 1.460 5.023 456 HG22 ILE 56 2HG2 ILE 56 7.560 0.843 3.638 457 HG23 ILE 56 3HG2 ILE 56 8.168 -0.274 4.859 458 HD11 ILE 56 3HD1 ILE 56 6.649 -1.595 4.066 459 HD12 ILE 56 1HD1 ILE 56 5.014 -2.164 4.407 460 HD13 ILE 56 2HD1 ILE 56 6.167 -1.951 5.725 461 H VAL 57 H VAL 57 5.669 -1.265 8.281 462 HA VAL 57 HA VAL 57 8.116 -2.570 8.999 463 HB VAL 57 HB VAL 57 5.276 -3.592 9.254 464 HG11 VAL 57 1HG1 VAL 57 7.807 -4.468 10.665 465 HG12 VAL 57 2HG1 VAL 57 6.923 -5.391 9.448 466 HG13 VAL 57 3HG1 VAL 57 6.179 -5.057 11.012 467 HG21 VAL 57 3HG2 VAL 57 5.585 -1.444 10.392 468 HG22 VAL 57 1HG2 VAL 57 6.980 -2.096 11.253 469 HG23 VAL 57 2HG2 VAL 57 5.373 -2.756 11.552 470 H HIS 58 H HIS 58 5.326 -3.804 7.107 471 HA HIS 58 HA HIS 58 6.991 -4.897 5.060 472 HD1 HIS 58 HD1 HIS 58 8.543 -7.113 4.436 473 HD2 HIS 58 HD2 HIS 58 4.887 -8.894 5.295 474 HE1 HIS 58 HE1 HIS 58 8.305 -8.996 2.793 475 HE2 HIS 58 HE2 HIS 58 6.177 -10.165 3.450 476 HB2 HIS 58 2HB HIS 58 7.429 -6.546 6.857 477 HB3 HIS 58 3HB HIS 58 5.704 -6.886 6.956 478 H ALA 59 H ALA 59 5.856 -5.444 3.241 479 HA ALA 59 HA ALA 59 2.966 -4.975 3.272 480 HB1 ALA 59 3HB ALA 59 4.327 -3.759 1.641 481 HB2 ALA 59 1HB ALA 59 3.167 -4.823 0.848 482 HB3 ALA 59 2HB ALA 59 4.865 -5.288 0.945 483 H ILE 60 H ILE 60 1.874 -6.804 3.834 484 HA ILE 60 HA ILE 60 2.727 -9.436 2.915 485 HB ILE 60 HB ILE 60 0.363 -8.605 4.623 486 HG12 ILE 60 2HG1 ILE 60 1.693 -9.906 6.396 487 HG13 ILE 60 3HG1 ILE 60 3.057 -9.810 5.288 488 HG21 ILE 60 1HG2 ILE 60 1.310 -11.393 3.948 489 HG22 ILE 60 2HG2 ILE 60 -0.171 -10.627 3.369 490 HG23 ILE 60 3HG2 ILE 60 0.024 -10.984 5.083 491 HD11 ILE 60 3HD1 ILE 60 3.171 -8.084 6.986 492 HD12 ILE 60 1HD1 ILE 60 1.590 -7.473 6.500 493 HD13 ILE 60 2HD1 ILE 60 2.956 -7.369 5.390 494 H ARG 61 H ARG 61 1.979 -10.375 1.082 495 HA ARG 61 HA ARG 61 -0.707 -9.648 0.121 496 HE ARG 61 HE ARG 61 4.727 -9.107 -2.504 497 HB2 ARG 61 2HB ARG 61 0.179 -9.752 -2.241 498 HB3 ARG 61 3HB ARG 61 0.690 -8.358 -1.301 499 HG2 ARG 61 2HG ARG 61 2.864 -9.383 -0.917 500 HG3 ARG 61 3HG ARG 61 2.351 -10.827 -1.792 501 HD2 ARG 61 2HD ARG 61 2.148 -9.574 -3.842 502 HD3 ARG 61 3HD ARG 61 2.473 -8.060 -2.998 503 HH11 ARG 61 1HH1 ARG 61 2.928 -9.977 -5.321 504 HH12 ARG 61 2HH1 ARG 61 4.353 -10.243 -6.267 505 HH21 ARG 61 1HH2 ARG 61 6.531 -9.501 -3.741 506 HH22 ARG 61 2HH2 ARG 61 6.345 -9.996 -5.388 507 H GLU 62 H GLU 62 -1.876 -11.440 0.232 508 HA GLU 62 HA GLU 62 -0.643 -14.026 -0.509 509 HB2 GLU 62 2HB GLU 62 -3.091 -13.576 1.220 510 HB3 GLU 62 3HB GLU 62 -2.280 -15.105 0.923 511 HG2 GLU 62 2HG GLU 62 -1.102 -12.757 2.409 512 HG3 GLU 62 3HG GLU 62 -1.785 -14.206 3.144 513 H LYS 63 H LYS 63 -1.286 -14.768 -2.461 514 HA LYS 63 HA LYS 63 -3.832 -13.809 -3.555 515 HB2 LYS 63 2HB LYS 63 -3.012 -14.757 -5.717 516 HB3 LYS 63 3HB LYS 63 -2.016 -13.472 -5.058 517 HG2 LYS 63 2HG LYS 63 -0.444 -15.192 -4.208 518 HG3 LYS 63 3HG LYS 63 -1.421 -16.426 -5.007 519 HD2 LYS 63 2HD LYS 63 -0.031 -14.113 -6.373 520 HD3 LYS 63 3HD LYS 63 0.521 -15.787 -6.367 521 HE2 LYS 63 2HE LYS 63 -1.557 -16.453 -7.520 522 HE3 LYS 63 3HE LYS 63 -2.059 -14.763 -7.566 523 HZ1 LYS 63 3HZ LYS 63 -1.044 -15.513 -9.647 524 HZ2 LYS 63 1HZ LYS 63 0.403 -15.839 -8.838 525 HZ3 LYS 63 2HZ LYS 63 -0.169 -14.249 -8.951 526 H ARG 64 H ARG 64 -5.392 -14.976 -2.667 527 HA ARG 64 HA ARG 64 -5.241 -17.918 -2.604 528 HE ARG 64 HE ARG 64 -7.941 -15.867 0.744 529 HB2 ARG 64 2HB ARG 64 -6.929 -15.889 -1.132 530 HB3 ARG 64 3HB ARG 64 -7.260 -17.615 -1.064 531 HG2 ARG 64 2HG ARG 64 -5.368 -18.068 0.179 532 HG3 ARG 64 3HG ARG 64 -4.528 -16.620 -0.373 533 HD2 ARG 64 2HD ARG 64 -5.442 -16.721 2.062 534 HD3 ARG 64 3HD ARG 64 -5.628 -15.242 1.123 535 HH11 ARG 64 1HH1 ARG 64 -6.315 -17.589 3.252 536 HH12 ARG 64 2HH1 ARG 64 -7.786 -17.990 4.062 537 HH21 ARG 64 1HH2 ARG 64 -9.794 -16.370 1.795 538 HH22 ARG 64 2HH2 ARG 64 -9.740 -17.310 3.247 539 H ILE 65 H ILE 65 -7.568 -18.937 -2.799 540 HA ILE 65 HA ILE 65 -8.875 -17.823 -5.195 541 HB ILE 65 HB ILE 65 -7.925 -20.273 -5.034 542 HG12 ILE 65 2HG1 ILE 65 -9.201 -19.322 -6.955 543 HG13 ILE 65 3HG1 ILE 65 -9.493 -21.038 -6.705 544 HG21 ILE 65 1HG2 ILE 65 -9.064 -20.937 -2.998 545 HG22 ILE 65 2HG2 ILE 65 -9.587 -21.944 -4.348 546 HG23 ILE 65 3HG2 ILE 65 -10.633 -20.652 -3.755 547 HD11 ILE 65 3HD1 ILE 65 -11.540 -19.905 -7.275 548 HD12 ILE 65 1HD1 ILE 65 -11.328 -18.782 -5.933 549 HD13 ILE 65 2HD1 ILE 65 -11.623 -20.490 -5.613 550 H LEU 66 H LEU 66 -11.011 -17.199 -5.133 551 HA LEU 66 HA LEU 66 -12.188 -16.983 -2.459 552 HG LEU 66 HG LEU 66 -14.850 -15.682 -3.521 553 HB2 LEU 66 2HB LEU 66 -11.923 -14.939 -3.760 554 HB3 LEU 66 3HB LEU 66 -12.878 -15.617 -5.062 555 HD11 LEU 66 1HD1 LEU 66 -14.763 -14.352 -1.458 556 HD12 LEU 66 2HD1 LEU 66 -13.023 -14.149 -1.670 557 HD13 LEU 66 3HD1 LEU 66 -13.698 -15.755 -1.392 558 HD21 LEU 66 3HD2 LEU 66 -13.590 -12.966 -3.922 559 HD22 LEU 66 1HD2 LEU 66 -15.298 -13.279 -3.604 560 HD23 LEU 66 2HD2 LEU 66 -14.561 -13.847 -5.103 561 H SER 67 H SER 67 -13.324 -17.865 -5.753 562 HA SER 67 HA SER 67 -15.640 -19.199 -4.480 563 HG SER 67 HG SER 67 -18.079 -18.090 -6.279 564 HB2 SER 67 2HB SER 67 -16.434 -17.126 -5.417 565 HB3 SER 67 3HB SER 67 -15.623 -17.448 -6.948 566 H LEU 68 H LEU 68 -15.898 -21.253 -4.975 567 HA LEU 68 HA LEU 68 -14.923 -22.284 -7.571 568 HG LEU 68 HG LEU 68 -13.036 -22.292 -5.141 569 HB2 LEU 68 2HB LEU 68 -15.074 -23.702 -4.900 570 HB3 LEU 68 3HB LEU 68 -14.681 -24.490 -6.418 571 HD11 LEU 68 1HD1 LEU 68 -12.515 -25.266 -5.254 572 HD12 LEU 68 2HD1 LEU 68 -12.985 -24.356 -3.816 573 HD13 LEU 68 3HD1 LEU 68 -11.433 -24.039 -4.591 574 HD21 LEU 68 3HD2 LEU 68 -12.822 -22.331 -7.566 575 HD22 LEU 68 1HD2 LEU 68 -12.489 -24.064 -7.530 576 HD23 LEU 68 2HD2 LEU 68 -11.346 -22.928 -6.812 577 H SER 69 H SER 69 -16.415 -23.262 -8.848 578 HA SER 69 HA SER 69 -19.171 -23.368 -7.960 579 HG SER 69 HG SER 69 -19.236 -22.015 -11.060 580 HB2 SER 69 2HB SER 69 -17.976 -24.115 -10.643 581 HB3 SER 69 3HB SER 69 -19.696 -23.963 -10.288 582 H GLU 70 H GLU 70 -19.859 -25.022 -6.827 583 HA GLU 70 HA GLU 70 -20.254 -27.102 -6.029 584 HB2 GLU 70 2HB GLU 70 -21.594 -27.044 -8.099 585 HB3 GLU 70 3HB GLU 70 -20.261 -27.787 -8.971 586 HG2 GLU 70 2HG GLU 70 -21.932 -29.448 -8.440 587 HG3 GLU 70 3HG GLU 70 -20.450 -29.781 -7.546 588 H SER 71 H SER 71 -18.463 -28.382 -8.823 589 HA SER 71 HA SER 71 -17.171 -30.254 -7.003 590 HG SER 71 HG SER 71 -16.816 -30.608 -11.007 591 HB2 SER 71 2HB SER 71 -16.486 -31.438 -9.055 592 HB3 SER 71 3HB SER 71 -18.222 -31.125 -9.030 593 H GLY 72 H GLY 72 -16.352 -27.270 -8.229 594 HA2 GLY 72 2HA GLY 72 -14.190 -26.470 -7.287 595 HA3 GLY 72 3HA GLY 72 -13.460 -27.901 -7.989 596 H ARG 73 H ARG 73 -15.863 -26.090 -9.793 597 HA ARG 73 HA ARG 73 -13.948 -25.385 -11.833 598 HE ARG 73 HE ARG 73 -17.877 -28.571 -13.125 599 HB2 ARG 73 2HB ARG 73 -16.880 -24.759 -11.446 600 HB3 ARG 73 3HB ARG 73 -15.953 -24.056 -12.760 601 HG2 ARG 73 2HG ARG 73 -17.241 -26.004 -13.488 602 HG3 ARG 73 3HG ARG 73 -15.508 -26.262 -13.673 603 HD2 ARG 73 2HD ARG 73 -15.435 -27.681 -11.750 604 HD3 ARG 73 3HD ARG 73 -17.086 -27.258 -11.302 605 HH11 ARG 73 1HH1 ARG 73 -14.462 -28.811 -12.696 606 HH12 ARG 73 2HH1 ARG 73 -14.369 -30.370 -13.438 607 HH21 ARG 73 1HH2 ARG 73 -17.737 -30.549 -14.103 608 HH22 ARG 73 2HH2 ARG 73 -16.202 -31.336 -14.242 609 H VAL 74 H VAL 74 -12.532 -23.746 -11.547 610 HA VAL 74 HA VAL 74 -12.738 -21.890 -9.426 611 HB VAL 74 HB VAL 74 -10.937 -21.686 -11.849 612 HG11 VAL 74 1HG1 VAL 74 -11.061 -19.605 -10.569 613 HG12 VAL 74 2HG1 VAL 74 -9.484 -20.367 -10.369 614 HG13 VAL 74 3HG1 VAL 74 -10.687 -20.482 -9.085 615 HG21 VAL 74 3HG2 VAL 74 -10.650 -23.846 -10.767 616 HG22 VAL 74 1HG2 VAL 74 -10.473 -23.062 -9.197 617 HG23 VAL 74 2HG2 VAL 74 -9.254 -22.819 -10.446 618 H ARG 75 H ARG 75 -13.939 -20.124 -9.276 619 HA ARG 75 HA ARG 75 -14.857 -18.716 -11.692 620 HE ARG 75 HE ARG 75 -17.768 -17.357 -8.715 621 HB2 ARG 75 2HB ARG 75 -15.789 -18.780 -8.835 622 HB3 ARG 75 3HB ARG 75 -16.276 -17.473 -9.899 623 HG2 ARG 75 2HG ARG 75 -17.365 -19.048 -11.386 624 HG3 ARG 75 3HG ARG 75 -16.808 -20.400 -10.397 625 HD2 ARG 75 2HD ARG 75 -19.221 -19.540 -10.051 626 HD3 ARG 75 3HD ARG 75 -18.231 -19.855 -8.624 627 HH11 ARG 75 1HH1 ARG 75 -20.733 -18.738 -9.771 628 HH12 ARG 75 2HH1 ARG 75 -21.639 -17.305 -9.446 629 HH21 ARG 75 1HH2 ARG 75 -18.922 -15.538 -8.280 630 HH22 ARG 75 2HH2 ARG 75 -20.623 -15.508 -8.599 631 H GLU 76 H GLU 76 -14.114 -17.575 -8.409 632 HA GLU 76 HA GLU 76 -12.751 -15.231 -9.584 633 HB2 GLU 76 2HB GLU 76 -14.508 -15.348 -7.115 634 HB3 GLU 76 3HB GLU 76 -13.687 -13.913 -7.715 635 HG2 GLU 76 2HG GLU 76 -15.032 -13.896 -9.706 636 HG3 GLU 76 3HG GLU 76 -15.747 -15.451 -9.290 637 H PHE 77 H PHE 77 -10.848 -14.595 -8.729 638 HA PHE 77 HA PHE 77 -9.608 -16.344 -6.719 639 HD1 PHE 77 HD1 PHE 77 -8.000 -18.050 -7.934 640 HD2 PHE 77 HD2 PHE 77 -6.036 -14.310 -7.378 641 HE1 PHE 77 HE1 PHE 77 -5.983 -19.228 -7.154 642 HE2 PHE 77 HE2 PHE 77 -4.024 -15.483 -6.596 643 HZ PHE 77 HZ PHE 77 -3.993 -17.943 -6.484 644 HB2 PHE 77 2HB PHE 77 -8.688 -15.857 -9.131 645 HB3 PHE 77 3HB PHE 77 -8.117 -14.356 -8.418 646 H GLU 78 H GLU 78 -8.759 -15.534 -4.819 647 HA GLU 78 HA GLU 78 -9.719 -12.864 -4.059 648 HB2 GLU 78 2HB GLU 78 -10.489 -14.833 -2.771 649 HB3 GLU 78 3HB GLU 78 -8.826 -15.184 -2.331 650 HG2 GLU 78 2HG GLU 78 -8.726 -12.990 -1.170 651 HG3 GLU 78 3HG GLU 78 -10.438 -12.768 -1.529 652 H LEU 79 H LEU 79 -8.136 -11.363 -4.476 653 HA LEU 79 HA LEU 79 -5.368 -11.907 -3.643 654 HG LEU 79 HG LEU 79 -6.730 -11.449 -6.544 655 HB2 LEU 79 2HB LEU 79 -6.502 -9.494 -5.074 656 HB3 LEU 79 3HB LEU 79 -4.803 -9.858 -4.838 657 HD11 LEU 79 1HD1 LEU 79 -4.460 -9.616 -7.323 658 HD12 LEU 79 2HD1 LEU 79 -6.181 -9.299 -7.539 659 HD13 LEU 79 3HD1 LEU 79 -5.409 -10.610 -8.428 660 HD21 LEU 79 3HD2 LEU 79 -4.748 -12.690 -7.279 661 HD22 LEU 79 1HD2 LEU 79 -5.036 -12.888 -5.551 662 HD23 LEU 79 2HD2 LEU 79 -3.761 -11.805 -6.114 663 H VAL 80 H VAL 80 -5.102 -11.560 -1.451 664 HA VAL 80 HA VAL 80 -6.326 -9.135 -0.300 665 HB VAL 80 HB VAL 80 -6.971 -11.181 0.842 666 HG11 VAL 80 1HG1 VAL 80 -5.353 -12.544 2.075 667 HG12 VAL 80 2HG1 VAL 80 -4.032 -11.588 1.402 668 HG13 VAL 80 3HG1 VAL 80 -5.039 -12.574 0.340 669 HG21 VAL 80 3HG2 VAL 80 -6.796 -9.144 2.165 670 HG22 VAL 80 1HG2 VAL 80 -5.101 -9.491 2.510 671 HG23 VAL 80 2HG2 VAL 80 -6.365 -10.550 3.138 672 H TYR 81 H TYR 81 -5.124 -7.476 0.369 673 HA TYR 81 HA TYR 81 -2.197 -7.822 0.587 674 HD1 TYR 81 HD2 TYR 81 -0.396 -7.233 -0.095 675 HD2 TYR 81 HD1 TYR 81 -2.246 -3.572 -1.228 676 HE1 TYR 81 HE2 TYR 81 1.812 -6.163 -0.217 677 HE2 TYR 81 HE1 TYR 81 -0.040 -2.494 -1.359 678 HH TYR 81 HH TYR 81 2.216 -2.789 -0.467 679 HB2 TYR 81 2HB TYR 81 -2.989 -6.676 -1.524 680 HB3 TYR 81 3HB TYR 81 -3.595 -5.371 -0.514 681 H ARG 82 H ARG 82 -1.531 -7.424 2.583 682 HA ARG 82 HA ARG 82 -2.954 -5.445 4.251 683 HE ARG 82 HE ARG 82 -3.484 -8.143 7.756 684 HB2 ARG 82 2HB ARG 82 -1.526 -7.983 5.088 685 HB3 ARG 82 3HB ARG 82 -2.220 -6.811 6.201 686 HG2 ARG 82 2HG ARG 82 -4.432 -7.314 5.510 687 HG3 ARG 82 3HG ARG 82 -3.865 -8.231 4.111 688 HD2 ARG 82 2HD ARG 82 -4.659 -9.667 5.979 689 HD3 ARG 82 3HD ARG 82 -2.979 -9.961 5.529 690 HH11 ARG 82 1HH1 ARG 82 -2.537 -11.284 6.692 691 HH12 ARG 82 2HH1 ARG 82 -1.769 -11.675 8.191 692 HH21 ARG 82 1HH2 ARG 82 -2.500 -8.647 9.668 693 HH22 ARG 82 2HH2 ARG 82 -1.742 -10.196 9.863 694 H VAL 83 H VAL 83 -1.736 -3.632 4.410 695 HA VAL 83 HA VAL 83 1.202 -3.875 4.411 696 HB VAL 83 HB VAL 83 -0.496 -1.397 4.015 697 HG11 VAL 83 1HG1 VAL 83 1.586 -0.334 3.284 698 HG12 VAL 83 2HG1 VAL 83 2.475 -1.815 3.639 699 HG13 VAL 83 3HG1 VAL 83 1.722 -0.905 4.948 700 HG21 VAL 83 3HG2 VAL 83 0.156 -1.572 1.652 701 HG22 VAL 83 1HG2 VAL 83 -0.772 -2.978 2.173 702 HG23 VAL 83 2HG2 VAL 83 0.978 -3.095 1.992 703 H ALA 84 H ALA 84 2.077 -3.991 6.390 704 HA ALA 84 HA ALA 84 0.847 -2.607 8.660 705 HB1 ALA 84 3HB ALA 84 2.442 -3.853 10.033 706 HB2 ALA 84 1HB ALA 84 3.225 -4.473 8.578 707 HB3 ALA 84 2HB ALA 84 1.566 -4.936 8.951 708 H ALA 85 H ALA 85 1.492 -0.607 9.243 709 HA ALA 85 HA ALA 85 4.287 0.200 8.813 710 HB1 ALA 85 3HB ALA 85 1.915 1.839 7.910 711 HB2 ALA 85 1HB ALA 85 3.052 0.991 6.861 712 HB3 ALA 85 2HB ALA 85 3.605 2.342 7.849 713 H ARG 86 H ARG 86 4.965 2.022 10.074 714 HA ARG 86 HA ARG 86 3.332 2.515 12.491 715 HE ARG 86 HE ARG 86 2.744 0.861 13.013 716 HB2 ARG 86 2HB ARG 86 6.348 2.666 12.215 717 HB3 ARG 86 3HB ARG 86 5.431 2.881 13.695 718 HG2 ARG 86 2HG ARG 86 5.563 0.307 12.125 719 HG3 ARG 86 3HG ARG 86 6.578 0.689 13.514 720 HD2 ARG 86 2HD ARG 86 4.869 -0.605 14.426 721 HD3 ARG 86 3HD ARG 86 4.363 1.045 14.782 722 HH11 ARG 86 1HH1 ARG 86 4.280 -2.100 13.888 723 HH12 ARG 86 2HH1 ARG 86 3.023 -3.077 13.213 724 HH21 ARG 86 1HH2 ARG 86 1.135 -0.392 12.174 725 HH22 ARG 86 2HH2 ARG 86 1.246 -2.120 12.277 726 H LEU 87 H LEU 87 3.098 4.656 13.204 727 HA LEU 87 HA LEU 87 4.156 6.747 11.403 728 HG LEU 87 HG LEU 87 2.539 8.450 10.612 729 HB2 LEU 87 2HB LEU 87 1.608 6.313 11.624 730 HB3 LEU 87 3HB LEU 87 1.747 7.077 13.192 731 HD11 LEU 87 1HD1 LEU 87 0.386 9.606 10.723 732 HD12 LEU 87 2HD1 LEU 87 -0.087 8.606 12.099 733 HD13 LEU 87 3HD1 LEU 87 0.171 7.867 10.518 734 HD21 LEU 87 3HD2 LEU 87 3.536 9.414 12.626 735 HD22 LEU 87 1HD2 LEU 87 1.941 9.536 13.368 736 HD23 LEU 87 2HD2 LEU 87 2.327 10.498 11.940 737 H LEU 88 H LEU 88 5.873 7.716 12.297 738 HA LEU 88 HA LEU 88 5.987 7.967 15.242 739 HG LEU 88 HG LEU 88 6.829 5.471 13.705 740 HB2 LEU 88 2HB LEU 88 8.269 7.515 13.313 741 HB3 LEU 88 3HB LEU 88 8.413 7.656 15.057 742 HD11 LEU 88 1HD1 LEU 88 9.673 5.372 14.703 743 HD12 LEU 88 2HD1 LEU 88 9.154 5.296 13.015 744 HD13 LEU 88 3HD1 LEU 88 8.726 3.998 14.130 745 HD21 LEU 88 3HD2 LEU 88 7.044 4.354 15.888 746 HD22 LEU 88 1HD2 LEU 88 6.181 5.887 16.007 747 HD23 LEU 88 2HD2 LEU 88 7.863 5.780 16.525 748 H ASP 89 H ASP 89 7.597 9.589 15.992 749 HA ASP 89 HA ASP 89 7.373 12.115 14.531 750 HB2 ASP 89 2HB ASP 89 6.699 12.201 16.847 751 HB3 ASP 89 3HB ASP 89 8.175 11.401 17.368 752 H ALA 90 H ALA 90 9.326 13.494 14.322 753 HA ALA 90 HA ALA 90 11.420 12.221 13.010 754 HB1 ALA 90 3HB ALA 90 12.613 14.344 13.106 755 HB2 ALA 90 1HB ALA 90 11.505 14.919 14.352 756 HB3 ALA 90 2HB ALA 90 10.907 14.584 12.727 757 H HIS 91 H HIS 91 11.056 12.763 16.424 758 HA HIS 91 HA HIS 91 13.851 12.111 16.989 759 HD1 HIS 91 HD1 HIS 91 14.742 14.544 19.193 760 HD2 HIS 91 HD2 HIS 91 11.151 15.110 17.181 761 HE1 HIS 91 HE1 HIS 91 14.747 16.947 18.467 762 HE2 HIS 91 HE2 HIS 91 12.676 17.189 17.063 763 HB2 HIS 91 2HB HIS 91 11.554 12.769 18.855 764 HB3 HIS 91 3HB HIS 91 13.233 12.545 19.346 765 H ASN 92 H ASN 92 11.898 10.161 15.805 766 HA ASN 92 HA ASN 92 11.578 7.915 15.838 767 HB2 ASN 92 2HB ASN 92 13.638 7.964 18.060 768 HB3 ASN 92 3HB ASN 92 13.087 6.516 17.221 769 HD21 ASN 92 1HD2 ASN 92 14.981 9.417 16.977 770 HD22 ASN 92 2HD2 ASN 92 15.777 9.002 15.504 771 H ALA 93 H ALA 93 10.034 9.741 17.683 772 HA ALA 93 HA ALA 93 9.301 7.962 19.890 773 HB1 ALA 93 3HB ALA 93 7.975 9.839 20.711 774 HB2 ALA 93 1HB ALA 93 8.326 10.749 19.239 775 HB3 ALA 93 2HB ALA 93 9.627 10.351 20.360 776 H GLU 94 H GLU 94 7.054 7.381 20.284 777 HA GLU 94 HA GLU 94 5.703 6.624 17.853 778 HB2 GLU 94 2HB GLU 94 4.052 5.516 19.333 779 HB3 GLU 94 3HB GLU 94 5.703 5.014 19.641 780 HG2 GLU 94 2HG GLU 94 4.321 7.108 21.303 781 HG3 GLU 94 3HG GLU 94 4.203 5.387 21.654 782 H LEU 95 H LEU 95 4.895 8.376 16.812 783 HA LEU 95 HA LEU 95 3.464 10.474 18.149 784 HG LEU 95 HG LEU 95 3.623 12.407 14.967 785 HB2 LEU 95 2HB LEU 95 4.842 10.628 15.990 786 HB3 LEU 95 3HB LEU 95 3.463 9.920 15.179 787 HD11 LEU 95 1HD1 LEU 95 1.467 11.272 14.679 788 HD12 LEU 95 2HD1 LEU 95 1.280 12.885 15.364 789 HD13 LEU 95 3HD1 LEU 95 1.140 11.467 16.402 790 HD21 LEU 95 3HD2 LEU 95 4.519 12.927 17.163 791 HD22 LEU 95 1HD2 LEU 95 3.026 12.375 17.929 792 HD23 LEU 95 2HD2 LEU 95 3.015 13.802 16.893 793 H ALA 96 H ALA 96 2.458 7.977 15.792 794 HA ALA 96 HA ALA 96 -0.170 7.840 17.076 795 HB1 ALA 96 3HB ALA 96 -0.401 9.551 15.327 796 HB2 ALA 96 1HB ALA 96 -1.377 8.122 14.980 797 HB3 ALA 96 2HB ALA 96 0.143 8.384 14.121 798 H SER 97 H SER 97 -0.899 5.787 17.194 799 HA SER 97 HA SER 97 0.689 3.649 16.139 800 HG SER 97 HG SER 97 -1.872 1.457 17.310 801 HB2 SER 97 2HB SER 97 -0.433 3.400 18.305 802 HB3 SER 97 3HB SER 97 -2.008 3.540 17.523 803 H LEU 98 H LEU 98 0.621 3.802 13.892 804 HA LEU 98 HA LEU 98 -1.884 3.601 12.471 805 HG LEU 98 HG LEU 98 -0.634 2.437 9.786 806 HB2 LEU 98 2HB LEU 98 0.088 4.794 11.548 807 HB3 LEU 98 3HB LEU 98 0.951 3.271 11.459 808 HD11 LEU 98 1HD1 LEU 98 -2.646 3.587 10.530 809 HD12 LEU 98 2HD1 LEU 98 -2.340 3.923 8.827 810 HD13 LEU 98 3HD1 LEU 98 -1.961 5.139 10.048 811 HD21 LEU 98 3HD2 LEU 98 1.339 3.654 9.015 812 HD22 LEU 98 1HD2 LEU 98 0.451 5.176 9.115 813 HD23 LEU 98 2HD2 LEU 98 -0.034 3.945 7.947 814 H GLN 99 H GLN 99 -2.921 1.767 11.943 815 HA GLN 99 HA GLN 99 -1.702 -0.781 12.731 816 HB2 GLN 99 2HB GLN 99 -3.954 -0.039 13.617 817 HB3 GLN 99 3HB GLN 99 -4.586 -0.230 11.989 818 HG2 GLN 99 2HG GLN 99 -5.105 -2.155 13.391 819 HG3 GLN 99 3HG GLN 99 -4.068 -2.605 12.039 820 HE21 GLN 99 1HE2 GLN 99 -4.236 -2.145 15.490 821 HE22 GLN 99 2HE2 GLN 99 -2.766 -2.968 15.862 822 H GLU 100 H GLU 100 -2.116 -2.715 11.361 823 HA GLU 100 HA GLU 100 -1.196 -2.402 8.740 824 HB2 GLU 100 2HB GLU 100 -1.880 -4.800 8.441 825 HB3 GLU 100 3HB GLU 100 -0.862 -4.490 9.840 826 HG2 GLU 100 2HG GLU 100 -2.649 -4.761 11.345 827 HG3 GLU 100 3HG GLU 100 -3.856 -4.624 10.070 828 H ILE 101 H ILE 101 -2.183 -1.602 7.011 829 HA ILE 101 HA ILE 101 -5.053 -1.323 6.860 830 HB ILE 101 HB ILE 101 -2.921 -0.656 4.813 831 HG12 ILE 101 2HG1 ILE 101 -4.384 1.126 6.790 832 HG13 ILE 101 3HG1 ILE 101 -2.709 0.605 6.940 833 HG21 ILE 101 1HG2 ILE 101 -4.653 0.742 3.762 834 HG22 ILE 101 2HG2 ILE 101 -5.836 0.139 4.924 835 HG23 ILE 101 3HG2 ILE 101 -5.101 -0.964 3.760 836 HD11 ILE 101 3HD1 ILE 101 -2.155 1.824 4.892 837 HD12 ILE 101 1HD1 ILE 101 -2.851 2.878 6.122 838 HD13 ILE 101 2HD1 ILE 101 -3.834 2.349 4.757 839 H ARG 102 H ARG 102 -6.456 -2.627 5.852 840 HA ARG 102 HA ARG 102 -5.398 -4.966 4.402 841 HE ARG 102 HE ARG 102 -9.415 -7.136 5.934 842 HB2 ARG 102 2HB ARG 102 -7.573 -6.031 5.004 843 HB3 ARG 102 3HB ARG 102 -6.601 -5.571 6.398 844 HG2 ARG 102 2HG ARG 102 -7.975 -3.630 6.787 845 HG3 ARG 102 3HG ARG 102 -8.879 -3.925 5.302 846 HD2 ARG 102 2HD ARG 102 -8.813 -5.735 7.716 847 HD3 ARG 102 3HD ARG 102 -10.125 -4.640 7.289 848 HH11 ARG 102 1HH1 ARG 102 -11.476 -4.378 6.110 849 HH12 ARG 102 2HH1 ARG 102 -12.735 -5.128 5.196 850 HH21 ARG 102 1HH2 ARG 102 -11.028 -8.079 4.754 851 HH22 ARG 102 2HH2 ARG 102 -12.482 -7.200 4.428 852 H LEU 103 H LEU 103 -5.883 -5.276 2.309 853 HA LEU 103 HA LEU 103 -8.300 -4.028 1.162 854 HG LEU 103 HG LEU 103 -5.832 -2.149 1.376 855 HB2 LEU 103 2HB LEU 103 -5.549 -4.103 -0.095 856 HB3 LEU 103 3HB LEU 103 -7.010 -3.669 -0.962 857 HD11 LEU 103 1HD1 LEU 103 -5.948 -1.471 -1.564 858 HD12 LEU 103 2HD1 LEU 103 -4.505 -1.934 -0.661 859 HD13 LEU 103 3HD1 LEU 103 -5.334 -0.425 -0.282 860 HD21 LEU 103 3HD2 LEU 103 -8.238 -1.545 -0.352 861 HD22 LEU 103 1HD2 LEU 103 -7.530 -0.449 0.838 862 HD23 LEU 103 2HD2 LEU 103 -8.254 -1.968 1.361 863 H THR 104 H THR 104 -9.251 -5.169 -0.592 864 HA THR 104 HA THR 104 -8.169 -7.836 -1.208 865 HB THR 104 HB THR 104 -10.548 -8.736 -1.177 866 HG1 THR 104 HG1 THR 104 -11.911 -7.529 0.372 867 HG21 THR 104 3HG2 THR 104 -9.314 -7.903 1.455 868 HG22 THR 104 1HG2 THR 104 -8.947 -9.369 0.541 869 HG23 THR 104 2HG2 THR 104 -10.547 -9.149 1.253 870 H ARG 105 H ARG 105 -8.141 -8.247 -3.312 871 HA ARG 105 HA ARG 105 -9.884 -6.694 -5.124 872 HE ARG 105 HE ARG 105 -7.909 -3.072 -6.635 873 HB2 ARG 105 2HB ARG 105 -7.002 -7.094 -5.112 874 HB3 ARG 105 3HB ARG 105 -7.699 -7.649 -6.623 875 HG2 ARG 105 2HG ARG 105 -6.964 -5.336 -6.768 876 HG3 ARG 105 3HG ARG 105 -8.707 -5.473 -6.996 877 HD2 ARG 105 2HD ARG 105 -9.085 -4.727 -4.704 878 HD3 ARG 105 3HD ARG 105 -7.342 -4.666 -4.420 879 HH11 ARG 105 1HH1 ARG 105 -8.592 -3.044 -3.238 880 HH12 ARG 105 2HH1 ARG 105 -8.648 -1.317 -3.176 881 HH21 ARG 105 1HH2 ARG 105 -8.000 -0.905 -6.527 882 HH22 ARG 105 2HH2 ARG 105 -8.319 -0.114 -5.017 883 H ILE 106 H ILE 106 -10.967 -7.782 -6.752 884 HA ILE 106 HA ILE 106 -10.965 -10.718 -6.524 885 HB ILE 106 HB ILE 106 -12.993 -8.975 -7.942 886 HG12 ILE 106 2HG1 ILE 106 -12.971 -8.425 -5.557 887 HG13 ILE 106 3HG1 ILE 106 -14.424 -9.334 -5.951 888 HG21 ILE 106 1HG2 ILE 106 -12.980 -11.266 -8.743 889 HG22 ILE 106 2HG2 ILE 106 -14.427 -10.981 -7.778 890 HG23 ILE 106 3HG2 ILE 106 -13.070 -11.875 -7.090 891 HD11 ILE 106 3HD1 ILE 106 -13.380 -11.361 -5.035 892 HD12 ILE 106 1HD1 ILE 106 -13.515 -10.069 -3.844 893 HD13 ILE 106 2HD1 ILE 106 -11.958 -10.414 -4.597 894 H LEU 107 H LEU 107 -10.045 -11.933 -8.030 895 HA LEU 107 HA LEU 107 -9.431 -10.752 -10.672 896 HG LEU 107 HG LEU 107 -5.948 -12.097 -10.599 897 HB2 LEU 107 2HB LEU 107 -7.505 -11.155 -9.132 898 HB3 LEU 107 3HB LEU 107 -7.890 -12.861 -9.141 899 HD11 LEU 107 1HD1 LEU 107 -6.411 -13.682 -12.343 900 HD12 LEU 107 2HD1 LEU 107 -8.140 -13.609 -12.005 901 HD13 LEU 107 3HD1 LEU 107 -7.035 -14.297 -10.814 902 HD21 LEU 107 3HD2 LEU 107 -7.011 -10.091 -11.522 903 HD22 LEU 107 1HD2 LEU 107 -8.180 -11.103 -12.374 904 HD23 LEU 107 2HD2 LEU 107 -6.467 -11.187 -12.790 905 HA PRO 108 HA PRO 108 -12.274 -14.080 -11.938 906 HB2 PRO 108 2HB PRO 108 -12.382 -13.381 -14.577 907 HB3 PRO 108 3HB PRO 108 -13.309 -12.562 -13.314 908 HG2 PRO 108 2HG PRO 108 -10.713 -11.751 -14.580 909 HG3 PRO 108 3HG PRO 108 -12.136 -10.756 -14.212 910 HD2 PRO 108 2HD PRO 108 -9.953 -10.764 -12.626 911 HD3 PRO 108 3HD PRO 108 -11.591 -10.583 -11.965 912 H PHE 109 H PHE 109 -12.078 -16.062 -12.991 913 HA PHE 109 HA PHE 109 -9.352 -16.804 -13.741 914 HD1 PHE 109 HD1 PHE 109 -8.187 -19.189 -12.685 915 HD2 PHE 109 HD2 PHE 109 -11.765 -20.189 -14.779 916 HE1 PHE 109 HE1 PHE 109 -7.095 -21.194 -13.600 917 HE2 PHE 109 HE2 PHE 109 -10.671 -22.193 -15.692 918 HZ PHE 109 HZ PHE 109 -8.334 -22.695 -15.105 919 HB2 PHE 109 2HB PHE 109 -10.406 -18.203 -12.080 920 HB3 PHE 109 3HB PHE 109 -11.793 -18.480 -13.127 921 H LEU 110 H LEU 110 -8.835 -16.576 -15.832 922 HA LEU 110 HA LEU 110 -10.598 -17.868 -17.820 923 HG LEU 110 HG LEU 110 -11.661 -15.714 -18.494 924 HB2 LEU 110 2HB LEU 110 -8.660 -15.578 -18.248 925 HB3 LEU 110 3HB LEU 110 -9.436 -16.460 -19.546 926 HD11 LEU 110 1HD1 LEU 110 -9.833 -13.716 -17.154 927 HD12 LEU 110 2HD1 LEU 110 -10.777 -14.964 -16.339 928 HD13 LEU 110 3HD1 LEU 110 -11.596 -13.654 -17.188 929 HD21 LEU 110 3HD2 LEU 110 -11.578 -13.553 -19.659 930 HD22 LEU 110 1HD2 LEU 110 -10.827 -14.839 -20.606 931 HD23 LEU 110 2HD2 LEU 110 -9.820 -13.673 -19.747 932 H ASP 111 H ASP 111 -9.767 -19.647 -18.770 933 HA ASP 111 HA ASP 111 -7.027 -20.430 -18.130 934 HB2 ASP 111 2HB ASP 111 -8.886 -22.002 -17.715 935 HB3 ASP 111 3HB ASP 111 -9.267 -22.002 -19.433 936 H ALA 112 H ALA 112 -5.476 -21.038 -19.678 937 HA ALA 112 HA ALA 112 -4.298 -20.978 -21.619 938 HB1 ALA 112 3HB ALA 112 -5.444 -21.490 -23.698 939 HB2 ALA 112 1HB ALA 112 -7.001 -21.127 -22.953 940 HB3 ALA 112 2HB ALA 112 -6.055 -22.507 -22.394 941 H GLN 113 H GLN 113 -5.045 -18.471 -20.388 942 HA GLN 113 HA GLN 113 -4.986 -16.705 -22.754 943 HB2 GLN 113 2HB GLN 113 -6.589 -16.368 -20.218 944 HB3 GLN 113 3HB GLN 113 -6.251 -15.025 -21.301 945 HG2 GLN 113 2HG GLN 113 -7.641 -17.549 -22.178 946 HG3 GLN 113 3HG GLN 113 -8.486 -16.119 -21.587 947 HE21 GLN 113 1HE2 GLN 113 -9.531 -15.780 -23.540 948 HE22 GLN 113 2HE2 GLN 113 -8.710 -15.207 -24.944 949 H GLU 114 H GLU 114 -2.691 -16.457 -22.608 950 HA GLU 114 HA GLU 114 -1.566 -15.189 -20.272 951 HB2 GLU 114 2HB GLU 114 0.473 -14.954 -21.526 952 HB3 GLU 114 3HB GLU 114 -0.184 -16.552 -21.854 953 HG2 GLU 114 2HG GLU 114 -0.920 -15.904 -24.019 954 HG3 GLU 114 3HG GLU 114 -0.605 -14.202 -23.690 955 H LEU 115 H LEU 115 -2.949 -14.132 -23.322 956 HA LEU 115 HA LEU 115 -2.071 -11.459 -23.311 957 HG LEU 115 HG LEU 115 -3.438 -12.215 -26.685 958 HB2 LEU 115 2HB LEU 115 -4.608 -12.644 -24.467 959 HB3 LEU 115 3HB LEU 115 -4.059 -11.010 -24.774 960 HD11 LEU 115 1HD1 LEU 115 -1.640 -10.798 -25.869 961 HD12 LEU 115 2HD1 LEU 115 -1.003 -12.219 -26.698 962 HD13 LEU 115 3HD1 LEU 115 -0.983 -12.145 -24.935 963 HD21 LEU 115 3HD2 LEU 115 -2.246 -14.379 -24.953 964 HD22 LEU 115 1HD2 LEU 115 -2.327 -14.359 -26.714 965 HD23 LEU 115 2HD2 LEU 115 -3.809 -14.469 -25.763 966 H ALA 116 H ALA 116 -5.063 -12.911 -22.054 967 HA ALA 116 HA ALA 116 -5.995 -10.444 -20.914 968 HB1 ALA 116 3HB ALA 116 -7.546 -12.157 -21.735 969 HB2 ALA 116 1HB ALA 116 -7.833 -11.771 -20.039 970 HB3 ALA 116 2HB ALA 116 -6.990 -13.258 -20.473 971 H LYS 117 H LYS 117 -5.176 -13.565 -19.332 972 HA LYS 117 HA LYS 117 -5.466 -12.583 -16.745 973 HB2 LYS 117 2HB LYS 117 -3.893 -14.967 -17.713 974 HB3 LYS 117 3HB LYS 117 -4.214 -14.627 -16.018 975 HG2 LYS 117 2HG LYS 117 -6.232 -15.259 -18.169 976 HG3 LYS 117 3HG LYS 117 -5.794 -16.254 -16.779 977 HD2 LYS 117 2HD LYS 117 -7.239 -13.597 -16.733 978 HD3 LYS 117 3HD LYS 117 -7.914 -15.179 -16.347 979 HE2 LYS 117 2HE LYS 117 -5.724 -13.780 -14.803 980 HE3 LYS 117 3HE LYS 117 -7.419 -13.859 -14.332 981 HZ1 LYS 117 3HZ LYS 117 -5.775 -16.287 -14.747 982 HZ2 LYS 117 1HZ LYS 117 -7.263 -16.159 -13.958 983 HZ3 LYS 117 2HZ LYS 117 -5.874 -15.507 -13.255 984 H ALA 118 H ALA 118 -2.455 -12.769 -18.658 985 HA ALA 118 HA ALA 118 -0.703 -12.129 -16.541 986 HB1 ALA 118 3HB ALA 118 0.924 -11.533 -18.243 987 HB2 ALA 118 1HB ALA 118 -0.346 -11.464 -19.465 988 HB3 ALA 118 2HB ALA 118 0.068 -13.004 -18.710 989 H ALA 119 H ALA 119 -2.506 -10.066 -18.785 990 HA ALA 119 HA ALA 119 -1.471 -7.603 -17.735 991 HB1 ALA 119 3HB ALA 119 -3.178 -6.536 -19.126 992 HB2 ALA 119 1HB ALA 119 -3.918 -8.108 -19.438 993 HB3 ALA 119 2HB ALA 119 -2.293 -7.763 -20.033 994 H GLU 120 H GLU 120 -4.409 -9.514 -17.216 995 HA GLU 120 HA GLU 120 -5.796 -7.685 -15.592 996 HB2 GLU 120 2HB GLU 120 -5.923 -10.704 -15.686 997 HB3 GLU 120 3HB GLU 120 -7.027 -9.710 -14.743 998 HG2 GLU 120 2HG GLU 120 -7.729 -8.583 -16.837 999 HG3 GLU 120 3HG GLU 120 -6.706 -9.701 -17.739 1000 H GLU 121 H GLU 121 -3.863 -10.535 -14.554 1001 HA GLU 121 HA GLU 121 -4.062 -9.975 -11.807 1002 HB2 GLU 121 2HB GLU 121 -3.338 -12.164 -12.821 1003 HB3 GLU 121 3HB GLU 121 -1.774 -11.432 -13.153 1004 HG2 GLU 121 2HG GLU 121 -1.375 -11.110 -10.786 1005 HG3 GLU 121 3HG GLU 121 -2.988 -11.710 -10.403 1006 H GLU 122 H GLU 122 -1.854 -8.766 -14.262 1007 HA GLU 122 HA GLU 122 -0.009 -7.495 -12.522 1008 HB2 GLU 122 2HB GLU 122 0.426 -7.913 -14.937 1009 HB3 GLU 122 3HB GLU 122 -0.771 -6.690 -15.342 1010 HG2 GLU 122 2HG GLU 122 0.600 -5.000 -14.166 1011 HG3 GLU 122 3HG GLU 122 1.814 -6.238 -13.849 1012 H MET 123 H MET 123 -2.780 -6.116 -14.357 1013 HA MET 123 HA MET 123 -2.561 -3.538 -13.240 1014 HB2 MET 123 2HB MET 123 -4.798 -3.097 -14.118 1015 HB3 MET 123 3HB MET 123 -3.807 -3.925 -15.306 1016 HG2 MET 123 2HG MET 123 -4.965 -5.970 -14.978 1017 HG3 MET 123 3HG MET 123 -5.792 -5.347 -13.552 1018 HE1 MET 123 3HE MET 123 -7.704 -3.567 -13.599 1019 HE2 MET 123 1HE MET 123 -8.287 -2.772 -15.060 1020 HE3 MET 123 2HE MET 123 -6.666 -2.426 -14.455 1021 H LEU 124 H LEU 124 -4.515 -6.338 -12.223 1022 HA LEU 124 HA LEU 124 -5.855 -5.062 -10.095 1023 HG LEU 124 HG LEU 124 -7.626 -8.274 -10.539 1024 HB2 LEU 124 2HB LEU 124 -5.222 -7.903 -10.767 1025 HB3 LEU 124 3HB LEU 124 -5.765 -7.546 -9.142 1026 HD11 LEU 124 1HD1 LEU 124 -8.072 -6.683 -8.744 1027 HD12 LEU 124 2HD1 LEU 124 -9.173 -6.443 -10.101 1028 HD13 LEU 124 3HD1 LEU 124 -7.816 -5.341 -9.858 1029 HD21 LEU 124 3HD2 LEU 124 -7.026 -5.857 -12.250 1030 HD22 LEU 124 1HD2 LEU 124 -8.425 -6.919 -12.415 1031 HD23 LEU 124 2HD2 LEU 124 -6.806 -7.543 -12.719 1032 H TYR 125 H TYR 125 -2.724 -6.729 -10.222 1033 HA TYR 125 HA TYR 125 -2.046 -6.538 -7.506 1034 HD1 TYR 125 HD2 TYR 125 -0.028 -7.888 -6.484 1035 HD2 TYR 125 HD1 TYR 125 1.791 -5.529 -9.530 1036 HE1 TYR 125 HE2 TYR 125 1.980 -7.638 -5.089 1037 HE2 TYR 125 HE1 TYR 125 3.802 -5.276 -8.140 1038 HH TYR 125 HH TYR 125 4.459 -5.396 -5.801 1039 HB2 TYR 125 2HB TYR 125 -0.756 -7.935 -9.010 1040 HB3 TYR 125 3HB TYR 125 -0.275 -6.538 -9.967 1041 H LYS 126 H LYS 126 -1.121 -4.338 -10.183 1042 HA LYS 126 HA LYS 126 0.090 -2.457 -8.405 1043 HB2 LYS 126 2HB LYS 126 0.326 -1.014 -10.379 1044 HB3 LYS 126 3HB LYS 126 0.884 -2.652 -10.686 1045 HG2 LYS 126 2HG LYS 126 -1.312 -3.111 -11.790 1046 HG3 LYS 126 3HG LYS 126 -1.695 -1.397 -11.614 1047 HD2 LYS 126 2HD LYS 126 0.728 -2.473 -13.071 1048 HD3 LYS 126 3HD LYS 126 -0.779 -2.002 -13.855 1049 HE2 LYS 126 2HE LYS 126 0.877 -0.134 -12.156 1050 HE3 LYS 126 3HE LYS 126 1.040 -0.267 -13.905 1051 HZ1 LYS 126 3HZ LYS 126 -0.394 1.567 -13.327 1052 HZ2 LYS 126 1HZ LYS 126 -1.410 0.551 -12.438 1053 HZ3 LYS 126 2HZ LYS 126 -1.297 0.377 -14.115 1054 H ASP 127 H ASP 127 -3.178 -2.843 -9.571 1055 HA ASP 127 HA ASP 127 -4.109 -0.233 -8.907 1056 HB2 ASP 127 2HB ASP 127 -5.461 -1.673 -10.329 1057 HB3 ASP 127 3HB ASP 127 -5.590 -2.875 -9.048 1058 H MET 128 H MET 128 -4.100 -3.309 -7.141 1059 HA MET 128 HA MET 128 -5.153 -2.237 -4.718 1060 HB2 MET 128 2HB MET 128 -5.336 -4.610 -5.351 1061 HB3 MET 128 3HB MET 128 -3.591 -4.781 -5.224 1062 HG2 MET 128 2HG MET 128 -3.665 -4.437 -2.859 1063 HG3 MET 128 3HG MET 128 -5.376 -4.012 -2.925 1064 HE1 MET 128 3HE MET 128 -2.762 -6.950 -3.495 1065 HE2 MET 128 1HE MET 128 -3.654 -6.839 -5.012 1066 HE3 MET 128 2HE MET 128 -3.858 -8.248 -3.970 1067 H GLN 129 H GLN 129 -1.890 -2.828 -5.924 1068 HA GLN 129 HA GLN 129 -0.467 -2.201 -3.560 1069 HB2 GLN 129 2HB GLN 129 0.427 -3.401 -5.580 1070 HB3 GLN 129 3HB GLN 129 0.453 -1.868 -6.431 1071 HG2 GLN 129 2HG GLN 129 1.941 -2.162 -3.852 1072 HG3 GLN 129 3HG GLN 129 2.616 -2.819 -5.340 1073 HE21 GLN 129 1HE2 GLN 129 3.650 -0.699 -3.689 1074 HE22 GLN 129 2HE2 GLN 129 3.763 0.694 -4.702 1075 H LYS 130 H LYS 130 -1.348 -0.207 -6.389 1076 HA LYS 130 HA LYS 130 -0.476 2.278 -5.407 1077 HB2 LYS 130 2HB LYS 130 -1.134 2.016 -7.728 1078 HB3 LYS 130 3HB LYS 130 -2.772 1.590 -7.255 1079 HG2 LYS 130 2HG LYS 130 -3.075 3.870 -6.341 1080 HG3 LYS 130 3HG LYS 130 -1.456 4.287 -6.907 1081 HD2 LYS 130 2HD LYS 130 -2.145 3.818 -9.218 1082 HD3 LYS 130 3HD LYS 130 -3.761 3.391 -8.652 1083 HE2 LYS 130 2HE LYS 130 -2.455 6.102 -8.368 1084 HE3 LYS 130 3HE LYS 130 -3.676 5.674 -9.564 1085 HZ1 LYS 130 3HZ LYS 130 -4.711 6.802 -7.745 1086 HZ2 LYS 130 1HZ LYS 130 -4.030 5.745 -6.620 1087 HZ3 LYS 130 2HZ LYS 130 -5.197 5.185 -7.701 1088 H ASP 131 H ASP 131 -3.637 0.675 -5.139 1089 HA ASP 131 HA ASP 131 -5.044 2.659 -3.808 1090 HB2 ASP 131 2HB ASP 131 -5.706 0.245 -4.730 1091 HB3 ASP 131 3HB ASP 131 -5.508 -0.201 -3.040 1092 H ALA 132 H ALA 132 -2.982 0.101 -2.472 1093 HA ALA 132 HA ALA 132 -3.417 0.526 0.250 1094 HB1 ALA 132 3HB ALA 132 -0.889 -0.415 -1.096 1095 HB2 ALA 132 1HB ALA 132 -2.256 -1.425 -0.628 1096 HB3 ALA 132 2HB ALA 132 -1.291 -0.619 0.609 1097 H VAL 133 H VAL 133 -0.813 1.943 -1.793 1098 HA VAL 133 HA VAL 133 0.244 3.537 0.309 1099 HB VAL 133 HB VAL 133 1.568 2.993 -1.696 1100 HG11 VAL 133 1HG1 VAL 133 1.236 4.216 -3.792 1101 HG12 VAL 133 2HG1 VAL 133 -0.243 4.925 -3.144 1102 HG13 VAL 133 3HG1 VAL 133 -0.142 3.184 -3.409 1103 HG21 VAL 133 3HG2 VAL 133 2.606 5.189 -1.997 1104 HG22 VAL 133 1HG2 VAL 133 2.226 4.875 -0.302 1105 HG23 VAL 133 2HG2 VAL 133 1.203 5.955 -1.250 1106 H GLN 134 H GLN 134 -2.353 4.050 -2.003 1107 HA GLN 134 HA GLN 134 -2.754 6.817 -1.444 1108 HB2 GLN 134 2HB GLN 134 -4.788 4.792 -2.423 1109 HB3 GLN 134 3HB GLN 134 -4.937 6.542 -2.525 1110 HG2 GLN 134 2HG GLN 134 -2.639 5.137 -3.836 1111 HG3 GLN 134 3HG GLN 134 -4.217 5.173 -4.612 1112 HE21 GLN 134 1HE2 GLN 134 -3.100 7.910 -2.728 1113 HE22 GLN 134 2HE2 GLN 134 -2.838 8.946 -4.075 1114 H GLN 135 H GLN 135 -3.921 3.828 0.023 1115 HA GLN 135 HA GLN 135 -5.710 4.900 1.906 1116 HB2 GLN 135 2HB GLN 135 -3.807 2.564 2.273 1117 HB3 GLN 135 3HB GLN 135 -5.204 2.909 3.280 1118 HG2 GLN 135 2HG GLN 135 -5.340 2.256 0.346 1119 HG3 GLN 135 3HG GLN 135 -5.551 1.086 1.642 1120 HE21 GLN 135 1HE2 GLN 135 -7.395 1.913 -0.446 1121 HE22 GLN 135 2HE2 GLN 135 -8.803 2.490 0.367 1122 H ILE 136 H ILE 136 -2.278 4.041 2.355 1123 HA ILE 136 HA ILE 136 -1.821 5.099 4.861 1124 HB ILE 136 HB ILE 136 0.145 5.128 2.554 1125 HG12 ILE 136 2HG1 ILE 136 -0.362 2.966 4.622 1126 HG13 ILE 136 3HG1 ILE 136 -0.885 2.894 2.943 1127 HG21 ILE 136 1HG2 ILE 136 1.868 4.988 4.317 1128 HG22 ILE 136 2HG2 ILE 136 0.607 5.145 5.540 1129 HG23 ILE 136 3HG2 ILE 136 0.921 6.473 4.422 1130 HD11 ILE 136 3HD1 ILE 136 1.467 2.962 2.231 1131 HD12 ILE 136 1HD1 ILE 136 1.107 1.577 3.261 1132 HD13 ILE 136 2HD1 ILE 136 1.960 2.968 3.925 1133 H LEU 137 H LEU 137 -1.563 6.770 1.737 1134 HA LEU 137 HA LEU 137 -0.598 9.231 2.455 1135 HG LEU 137 HG LEU 137 -2.730 11.022 0.918 1136 HB2 LEU 137 2HB LEU 137 -1.044 8.626 0.157 1137 HB3 LEU 137 3HB LEU 137 -2.769 8.562 0.464 1138 HD11 LEU 137 1HD1 LEU 137 -0.409 11.290 1.550 1139 HD12 LEU 137 2HD1 LEU 137 -0.777 12.318 0.166 1140 HD13 LEU 137 3HD1 LEU 137 0.117 10.816 -0.066 1141 HD21 LEU 137 3HD2 LEU 137 -3.411 10.157 -1.261 1142 HD22 LEU 137 1HD2 LEU 137 -1.733 10.177 -1.808 1143 HD23 LEU 137 2HD2 LEU 137 -2.558 11.690 -1.431 1144 H ARG 138 H ARG 138 -4.058 8.291 2.489 1145 HA ARG 138 HA ARG 138 -4.783 10.868 3.613 1146 HE ARG 138 HE ARG 138 -9.610 11.892 3.444 1147 HB2 ARG 138 2HB ARG 138 -6.134 9.587 1.864 1148 HB3 ARG 138 3HB ARG 138 -6.645 8.530 3.175 1149 HG2 ARG 138 2HG ARG 138 -7.733 10.336 4.310 1150 HG3 ARG 138 3HG ARG 138 -7.038 11.520 3.201 1151 HD2 ARG 138 2HD ARG 138 -8.297 10.391 1.344 1152 HD3 ARG 138 3HD ARG 138 -9.110 9.417 2.571 1153 HH11 ARG 138 1HH1 ARG 138 -9.879 10.542 0.288 1154 HH12 ARG 138 2HH1 ARG 138 -11.166 11.599 -0.172 1155 HH21 ARG 138 1HH2 ARG 138 -11.245 13.272 2.817 1156 HH22 ARG 138 2HH2 ARG 138 -11.932 13.108 1.239 1157 H GLN 139 H GLN 139 -4.319 7.589 4.789 1158 HA GLN 139 HA GLN 139 -5.632 7.884 7.288 1159 HB2 GLN 139 2HB GLN 139 -3.287 6.115 6.542 1160 HB3 GLN 139 3HB GLN 139 -4.203 5.984 8.035 1161 HG2 GLN 139 2HG GLN 139 -5.363 5.608 5.278 1162 HG3 GLN 139 3HG GLN 139 -4.808 4.302 6.319 1163 HE21 GLN 139 1HE2 GLN 139 -6.815 3.341 6.424 1164 HE22 GLN 139 2HE2 GLN 139 -8.134 4.019 7.303 1165 H VAL 140 H VAL 140 -2.209 8.277 6.374 1166 HA VAL 140 HA VAL 140 -1.254 9.037 8.913 1167 HB VAL 140 HB VAL 140 -0.151 9.627 6.153 1168 HG11 VAL 140 1HG1 VAL 140 0.776 11.254 7.693 1169 HG12 VAL 140 2HG1 VAL 140 2.007 10.052 7.302 1170 HG13 VAL 140 3HG1 VAL 140 1.167 9.984 8.853 1171 HG21 VAL 140 3HG2 VAL 140 1.403 7.784 6.674 1172 HG22 VAL 140 1HG2 VAL 140 -0.279 7.251 6.676 1173 HG23 VAL 140 2HG2 VAL 140 0.565 7.520 8.202 1174 H SER 141 H SER 141 -2.423 11.009 6.192 1175 HA SER 141 HA SER 141 -1.821 13.514 7.423 1176 HG SER 141 HG SER 141 -3.449 12.072 4.303 1177 HB2 SER 141 2HB SER 141 -3.254 14.481 5.613 1178 HB3 SER 141 3HB SER 141 -1.987 13.409 5.019 1179 H ALA 142 H ALA 142 -4.828 11.620 7.143 1180 HA ALA 142 HA ALA 142 -6.406 13.590 8.523 1181 HB1 ALA 142 3HB ALA 142 -7.401 12.120 6.841 1182 HB2 ALA 142 1HB ALA 142 -8.214 11.961 8.397 1183 HB3 ALA 142 2HB ALA 142 -7.077 10.721 7.865 1184 H PHE 143 H PHE 143 -4.358 11.036 9.562 1185 HA PHE 143 HA PHE 143 -5.546 10.100 11.877 1186 HD1 PHE 143 HD1 PHE 143 -4.364 9.807 14.240 1187 HD2 PHE 143 HD2 PHE 143 -2.486 7.501 11.188 1188 HE1 PHE 143 HE1 PHE 143 -4.401 7.836 15.709 1189 HE2 PHE 143 HE2 PHE 143 -2.529 5.525 12.652 1190 HZ PHE 143 HZ PHE 143 -3.486 5.690 14.917 1191 HB2 PHE 143 2HB PHE 143 -3.162 9.653 10.699 1192 HB3 PHE 143 3HB PHE 143 -2.619 10.658 12.036 1193 H THR 144 H THR 144 -3.794 13.134 11.403 1194 HA THR 144 HA THR 144 -3.670 13.890 14.145 1195 HB THR 144 HB THR 144 -2.197 14.921 12.470 1196 HG1 THR 144 HG1 THR 144 -3.259 16.110 14.469 1197 HG21 THR 144 3HG2 THR 144 -3.044 16.628 10.930 1198 HG22 THR 144 1HG2 THR 144 -4.693 16.301 11.462 1199 HG23 THR 144 2HG2 THR 144 -3.782 15.061 10.600 1200 H SER 145 H SER 145 -6.158 14.212 11.705 1201 HA SER 145 HA SER 145 -7.762 16.107 13.175 1202 HG SER 145 HG SER 145 -10.386 14.995 10.899 1203 HB2 SER 145 2HB SER 145 -8.022 16.048 10.772 1204 HB3 SER 145 3HB SER 145 -8.399 14.327 10.802 1205 H ALA 146 H ALA 146 -7.763 12.607 12.687 1206 HA ALA 146 HA ALA 146 -8.615 10.877 13.884 1207 HB1 ALA 146 3HB ALA 146 -8.936 11.154 16.276 1208 HB2 ALA 146 1HB ALA 146 -8.944 12.909 16.089 1209 HB3 ALA 146 2HB ALA 146 -7.476 11.991 15.748 1210 H GLY 147 H GLY 147 -10.511 13.010 12.537 1211 HA2 GLY 147 2HA GLY 147 -13.018 12.618 13.897 1212 HA3 GLY 147 3HA GLY 147 -12.797 13.302 12.291 1213 H LEU 148 H LEU 148 -12.932 12.002 10.506 1214 HA LEU 148 HA LEU 148 -12.675 9.208 10.466 1215 HG LEU 148 HG LEU 148 -15.949 7.605 10.930 1216 HB2 LEU 148 2HB LEU 148 -15.113 9.858 11.548 1217 HB3 LEU 148 3HB LEU 148 -15.528 9.721 9.852 1218 HD11 LEU 148 1HD1 LEU 148 -14.578 6.095 9.612 1219 HD12 LEU 148 2HD1 LEU 148 -13.429 7.392 9.289 1220 HD13 LEU 148 3HD1 LEU 148 -15.071 7.490 8.656 1221 HD21 LEU 148 3HD2 LEU 148 -13.067 7.673 11.828 1222 HD22 LEU 148 1HD2 LEU 148 -14.177 6.317 12.034 1223 HD23 LEU 148 2HD2 LEU 148 -14.489 7.844 12.858 1224 H GLU 149 H GLU 149 -11.566 11.132 8.983 1225 HA GLU 149 HA GLU 149 -12.983 11.826 6.597 1226 HB2 GLU 149 2HB GLU 149 -10.050 11.985 7.331 1227 HB3 GLU 149 3HB GLU 149 -10.719 12.637 5.844 1228 HG2 GLU 149 2HG GLU 149 -10.401 14.382 7.514 1229 HG3 GLU 149 3HG GLU 149 -12.104 14.187 7.111 1230 H HIS 150 H HIS 150 -12.578 8.880 7.223 1231 HA HIS 150 HA HIS 150 -11.661 8.054 4.559 1232 HD1 HIS 150 HD1 HIS 150 -11.018 4.289 6.324 1233 HD2 HIS 150 HD2 HIS 150 -8.860 6.730 3.749 1234 HE1 HIS 150 HE1 HIS 150 -9.939 2.736 4.676 1235 HE2 HIS 150 HE2 HIS 150 -8.578 4.227 3.182 1236 HB2 HIS 150 2HB HIS 150 -9.799 7.782 6.223 1237 HB3 HIS 150 3HB HIS 150 -10.829 6.693 7.142 1238 H HIS 151 H HIS 151 -14.308 8.377 5.824 1239 HA HIS 151 HA HIS 151 -15.229 5.950 6.942 1240 HD1 HIS 151 HD1 HIS 151 -15.842 10.236 7.052 1241 HD2 HIS 151 HD2 HIS 151 -17.913 8.255 4.045 1242 HE1 HIS 151 HE1 HIS 151 -16.367 11.985 5.335 1243 HE2 HIS 151 HE2 HIS 151 -17.814 10.809 3.653 1244 HB2 HIS 151 2HB HIS 151 -17.532 7.025 6.662 1245 HB3 HIS 151 3HB HIS 151 -16.355 7.867 7.659 1246 H HIS 152 H HIS 152 -14.435 4.517 5.103 1247 HA HIS 152 HA HIS 152 -15.046 2.878 3.613 1248 HD1 HIS 152 HD1 HIS 152 -19.440 2.142 4.135 1249 HD2 HIS 152 HD2 HIS 152 -15.910 -0.042 3.885 1250 HE1 HIS 152 HE1 HIS 152 -20.083 -0.061 3.119 1251 HE2 HIS 152 HE2 HIS 152 -17.964 -1.410 3.097 1252 HB2 HIS 152 2HB HIS 152 -16.187 2.300 5.676 1253 HB3 HIS 152 3HB HIS 152 -17.561 3.303 5.243 1254 H HIS 153 H HIS 153 -15.524 5.556 2.367 1255 HA HIS 153 HA HIS 153 -18.123 5.232 1.054 1256 HD1 HIS 153 HD1 HIS 153 -17.847 7.997 -1.522 1257 HD2 HIS 153 HD2 HIS 153 -19.914 7.925 2.086 1258 HE1 HIS 153 HE1 HIS 153 -20.129 8.922 -2.029 1259 HE2 HIS 153 HE2 HIS 153 -21.403 8.717 0.130 1260 HB2 HIS 153 2HB HIS 153 -17.185 7.422 2.140 1261 HB3 HIS 153 3HB HIS 153 -16.344 7.612 0.605 1262 H HIS 154 H HIS 154 -15.751 3.568 0.257 1263 HA HIS 154 HA HIS 154 -16.080 3.978 -2.619 1264 HD1 HIS 154 HD1 HIS 154 -12.333 6.072 -1.094 1265 HD2 HIS 154 HD2 HIS 154 -15.286 5.978 -4.020 1266 HE1 HIS 154 HE1 HIS 154 -12.484 8.420 -1.979 1267 HE2 HIS 154 HE2 HIS 154 -14.172 8.304 -3.838 1268 HB2 HIS 154 2HB HIS 154 -13.381 3.850 -1.260 1269 HB3 HIS 154 3HB HIS 154 -13.600 3.507 -2.970 1270 H HIS 155 H HIS 155 -15.609 2.117 -3.901 1271 HA HIS 155 HA HIS 155 -14.794 -0.365 -2.708 1272 HD1 HIS 155 HD1 HIS 155 -16.064 -2.602 -1.280 1273 HD2 HIS 155 HD2 HIS 155 -17.877 -2.519 -5.018 1274 HE1 HIS 155 HE1 HIS 155 -16.349 -5.004 -1.939 1275 HE2 HIS 155 HE2 HIS 155 -17.294 -4.927 -4.267 1276 HB2 HIS 155 2HB HIS 155 -17.151 -0.288 -1.960 1277 HB3 HIS 155 3HB HIS 155 -17.675 -0.131 -3.633 Start of MODEL 9 1 HA MET 1 HA MET 1 -9.811 28.626 -13.982 2 H1 MET 1 1H MET 1 -10.822 30.530 -15.021 3 H2 MET 1 2H MET 1 -9.662 29.865 -16.051 4 H3 MET 1 3H MET 1 -9.323 31.284 -15.194 5 HB2 MET 1 2HB MET 1 -7.236 30.203 -14.283 6 HB3 MET 1 3HB MET 1 -7.401 28.684 -13.408 7 HG2 MET 1 2HG MET 1 -6.425 28.316 -15.594 8 HG3 MET 1 3HG MET 1 -8.009 27.549 -15.489 9 HE1 MET 1 3HE MET 1 -7.765 28.678 -19.252 10 HE2 MET 1 1HE MET 1 -8.008 27.314 -18.160 11 HE3 MET 1 2HE MET 1 -6.438 28.116 -18.238 12 H GLY 2 H GLY 2 -9.217 28.589 -11.662 13 HA2 GLY 2 2HA GLY 2 -8.703 29.781 -9.636 14 HA3 GLY 2 3HA GLY 2 -9.383 31.231 -10.352 15 H PHE 3 H PHE 3 -10.288 27.967 -9.258 16 HA PHE 3 HA PHE 3 -12.984 28.955 -8.607 17 HD1 PHE 3 HD2 PHE 3 -11.359 26.661 -11.199 18 HD2 PHE 3 HD1 PHE 3 -15.284 26.964 -9.570 19 HE1 PHE 3 HE2 PHE 3 -12.303 26.619 -13.469 20 HE2 PHE 3 HE1 PHE 3 -16.230 26.923 -11.842 21 HZ PHE 3 HZ PHE 3 -14.740 26.751 -13.796 22 HB2 PHE 3 2HB PHE 3 -11.837 26.161 -8.805 23 HB3 PHE 3 3HB PHE 3 -13.436 26.490 -8.148 24 H LYS 4 H LYS 4 -13.578 29.353 -6.552 25 HA LYS 4 HA LYS 4 -11.552 29.293 -4.514 26 HB2 LYS 4 2HB LYS 4 -14.444 30.176 -4.409 27 HB3 LYS 4 3HB LYS 4 -13.282 30.391 -3.103 28 HG2 LYS 4 2HG LYS 4 -11.883 31.770 -4.576 29 HG3 LYS 4 3HG LYS 4 -13.062 31.572 -5.872 30 HD2 LYS 4 2HD LYS 4 -13.600 32.879 -3.199 31 HD3 LYS 4 3HD LYS 4 -13.289 33.733 -4.712 32 HE2 LYS 4 2HE LYS 4 -15.293 32.637 -5.688 33 HE3 LYS 4 3HE LYS 4 -15.623 31.908 -4.114 34 HZ1 LYS 4 3HZ LYS 4 -16.934 33.872 -4.372 35 HZ2 LYS 4 1HZ LYS 4 -15.579 34.807 -4.755 36 HZ3 LYS 4 2HZ LYS 4 -15.760 34.176 -3.199 37 H LEU 5 H LEU 5 -11.438 26.880 -4.718 38 HA LEU 5 HA LEU 5 -13.116 25.634 -2.624 39 HG LEU 5 HG LEU 5 -14.021 23.312 -5.406 40 HB2 LEU 5 2HB LEU 5 -11.826 24.436 -5.084 41 HB3 LEU 5 3HB LEU 5 -12.325 23.441 -3.733 42 HD11 LEU 5 1HD1 LEU 5 -15.985 24.163 -4.211 43 HD12 LEU 5 2HD1 LEU 5 -14.929 25.118 -3.170 44 HD13 LEU 5 3HD1 LEU 5 -14.841 23.356 -3.139 45 HD21 LEU 5 3HD2 LEU 5 -13.467 25.365 -6.633 46 HD22 LEU 5 1HD2 LEU 5 -14.204 26.324 -5.349 47 HD23 LEU 5 2HD2 LEU 5 -15.195 25.227 -6.313 48 H ARG 6 H ARG 6 -11.457 23.373 -2.189 49 HA ARG 6 HA ARG 6 -9.490 24.261 -0.440 50 HE ARG 6 HE ARG 6 -10.100 19.748 0.413 51 HB2 ARG 6 2HB ARG 6 -10.314 21.972 -0.382 52 HB3 ARG 6 3HB ARG 6 -9.632 21.651 -1.972 53 HG2 ARG 6 2HG ARG 6 -7.368 22.037 -1.029 54 HG3 ARG 6 3HG ARG 6 -8.102 22.219 0.565 55 HD2 ARG 6 2HD ARG 6 -8.300 19.755 -1.170 56 HD3 ARG 6 3HD ARG 6 -7.170 19.960 0.167 57 HH11 ARG 6 1HH1 ARG 6 -6.971 19.746 1.848 58 HH12 ARG 6 2HH1 ARG 6 -7.508 18.956 3.290 59 HH21 ARG 6 1HH2 ARG 6 -10.794 18.768 2.294 60 HH22 ARG 6 2HH2 ARG 6 -9.651 18.431 3.552 61 H GLY 7 H GLY 7 -9.097 23.196 -3.825 62 HA2 GLY 7 2HA GLY 7 -7.672 24.283 -5.382 63 HA3 GLY 7 3HA GLY 7 -6.744 24.946 -4.049 64 H GLN 8 H GLN 8 -5.902 22.876 -2.606 65 HA GLN 8 HA GLN 8 -4.009 21.584 -4.348 66 HB2 GLN 8 2HB GLN 8 -4.423 21.345 -1.364 67 HB3 GLN 8 3HB GLN 8 -3.095 20.608 -2.247 68 HG2 GLN 8 2HG GLN 8 -3.624 23.573 -2.110 69 HG3 GLN 8 3HG GLN 8 -2.494 22.706 -1.074 70 HE21 GLN 8 1HE2 GLN 8 -1.618 20.930 -3.245 71 HE22 GLN 8 2HE2 GLN 8 -0.620 21.892 -4.270 72 H VAL 9 H VAL 9 -5.084 19.612 -1.712 73 HA VAL 9 HA VAL 9 -6.995 17.995 -2.995 74 HB VAL 9 HB VAL 9 -5.233 17.406 -4.571 75 HG11 VAL 9 1HG1 VAL 9 -3.204 16.217 -3.878 76 HG12 VAL 9 2HG1 VAL 9 -3.650 16.437 -2.186 77 HG13 VAL 9 3HG1 VAL 9 -3.272 17.839 -3.188 78 HG21 VAL 9 3HG2 VAL 9 -6.866 15.683 -4.000 79 HG22 VAL 9 1HG2 VAL 9 -5.839 15.125 -2.679 80 HG23 VAL 9 2HG2 VAL 9 -5.296 14.962 -4.351 81 H SER 10 H SER 10 -4.186 17.846 -0.828 82 HA SER 10 HA SER 10 -5.754 17.037 1.422 83 HG SER 10 HG SER 10 -2.814 15.411 0.355 84 HB2 SER 10 2HB SER 10 -4.660 14.849 1.819 85 HB3 SER 10 3HB SER 10 -5.591 14.835 0.321 86 H GLU 11 H GLU 11 -4.826 18.500 2.767 87 HA GLU 11 HA GLU 11 -1.943 18.981 2.544 88 HB2 GLU 11 2HB GLU 11 -4.076 20.602 3.952 89 HB3 GLU 11 3HB GLU 11 -2.379 21.044 3.824 90 HG2 GLU 11 2HG GLU 11 -3.495 22.311 2.188 91 HG3 GLU 11 3HG GLU 11 -2.684 21.016 1.312 92 H LEU 12 H LEU 12 -0.575 18.228 3.966 93 HA LEU 12 HA LEU 12 -1.528 17.226 6.558 94 HG LEU 12 HG LEU 12 0.100 16.341 3.542 95 HB2 LEU 12 2HB LEU 12 1.011 16.297 6.431 96 HB3 LEU 12 3HB LEU 12 -0.379 15.434 5.807 97 HD11 LEU 12 1HD1 LEU 12 2.275 17.368 3.088 98 HD12 LEU 12 2HD1 LEU 12 2.601 17.432 4.819 99 HD13 LEU 12 3HD1 LEU 12 1.274 18.374 4.136 100 HD21 LEU 12 3HD2 LEU 12 2.039 14.924 3.092 101 HD22 LEU 12 1HD2 LEU 12 0.896 14.131 4.177 102 HD23 LEU 12 2HD2 LEU 12 2.379 14.834 4.820 103 HA PRO 13 HA PRO 13 0.234 20.562 8.759 104 HB2 PRO 13 2HB PRO 13 0.857 19.461 11.154 105 HB3 PRO 13 3HB PRO 13 -0.810 19.673 10.600 106 HG2 PRO 13 2HG PRO 13 0.913 17.213 10.523 107 HG3 PRO 13 3HG PRO 13 -0.780 17.376 11.025 108 HD2 PRO 13 2HD PRO 13 -0.068 16.468 8.570 109 HD3 PRO 13 3HD PRO 13 -1.557 17.395 8.849 110 H PHE 14 H PHE 14 2.327 18.258 7.606 111 HA PHE 14 HA PHE 14 4.678 19.707 8.642 112 HD1 PHE 14 HD2 PHE 14 4.983 15.976 6.564 113 HD2 PHE 14 HD1 PHE 14 2.957 16.395 10.288 114 HE1 PHE 14 HE2 PHE 14 3.679 13.943 6.086 115 HE2 PHE 14 HE1 PHE 14 1.657 14.366 9.812 116 HZ PHE 14 HZ PHE 14 2.018 13.133 7.709 117 HB2 PHE 14 2HB PHE 14 5.872 17.411 8.425 118 HB3 PHE 14 3HB PHE 14 4.864 17.717 9.834 119 H GLU 15 H GLU 15 6.403 20.020 7.223 120 HA GLU 15 HA GLU 15 5.707 19.618 4.383 121 HB2 GLU 15 2HB GLU 15 7.261 21.514 3.947 122 HB3 GLU 15 3HB GLU 15 5.894 21.940 4.968 123 HG2 GLU 15 2HG GLU 15 7.356 21.757 6.955 124 HG3 GLU 15 3HG GLU 15 8.719 21.415 5.890 125 H ARG 16 H ARG 16 7.556 18.108 6.592 126 HA ARG 16 HA ARG 16 9.289 16.960 4.579 127 HE ARG 16 HE ARG 16 11.115 20.546 9.302 128 HB2 ARG 16 2HB ARG 16 11.356 17.361 6.034 129 HB3 ARG 16 3HB ARG 16 10.747 18.736 5.117 130 HG2 ARG 16 2HG ARG 16 9.497 19.402 7.222 131 HG3 ARG 16 3HG ARG 16 10.468 18.194 8.060 132 HD2 ARG 16 2HD ARG 16 12.475 19.360 7.630 133 HD3 ARG 16 3HD ARG 16 11.712 20.387 6.412 134 HH11 ARG 16 1HH1 ARG 16 11.623 22.031 6.236 135 HH12 ARG 16 2HH1 ARG 16 11.238 23.611 6.813 136 HH21 ARG 16 1HH2 ARG 16 10.683 22.606 10.037 137 HH22 ARG 16 2HH2 ARG 16 10.732 23.935 8.929 138 H VAL 17 H VAL 17 9.623 14.857 4.950 139 HA VAL 17 HA VAL 17 9.013 13.776 7.638 140 HB VAL 17 HB VAL 17 8.003 11.808 6.577 141 HG11 VAL 17 1HG1 VAL 17 6.770 14.407 5.663 142 HG12 VAL 17 2HG1 VAL 17 6.546 13.637 7.234 143 HG13 VAL 17 3HG1 VAL 17 5.936 12.857 5.775 144 HG21 VAL 17 3HG2 VAL 17 9.222 11.808 4.466 145 HG22 VAL 17 1HG2 VAL 17 8.407 13.293 3.970 146 HG23 VAL 17 2HG2 VAL 17 7.484 11.802 4.170 147 H TYR 18 H TYR 18 9.999 11.740 8.167 148 HA TYR 18 HA TYR 18 12.313 10.966 6.499 149 HD1 TYR 18 HD1 TYR 18 14.988 10.701 7.121 150 HD2 TYR 18 HD2 TYR 18 12.888 9.158 10.491 151 HE1 TYR 18 HE1 TYR 18 16.722 8.984 7.413 152 HE2 TYR 18 HE2 TYR 18 14.619 7.439 10.787 153 HH TYR 18 HH TYR 18 16.328 6.275 9.314 154 HB2 TYR 18 2HB TYR 18 13.226 12.063 8.435 155 HB3 TYR 18 3HB TYR 18 12.161 11.171 9.517 156 H ILE 19 H ILE 19 12.044 8.970 5.716 157 HA ILE 19 HA ILE 19 10.210 7.124 7.059 158 HB ILE 19 HB ILE 19 9.866 7.526 4.658 159 HG12 ILE 19 2HG1 ILE 19 10.795 4.698 5.273 160 HG13 ILE 19 3HG1 ILE 19 9.205 5.356 5.642 161 HG21 ILE 19 1HG2 ILE 19 12.591 6.269 4.298 162 HG22 ILE 19 2HG2 ILE 19 12.174 7.958 3.998 163 HG23 ILE 19 3HG2 ILE 19 11.471 6.685 3.000 164 HD11 ILE 19 3HD1 ILE 19 10.354 4.967 2.888 165 HD12 ILE 19 1HD1 ILE 19 8.754 5.610 3.262 166 HD13 ILE 19 2HD1 ILE 19 9.153 3.942 3.673 167 H THR 20 H THR 20 10.751 5.005 7.605 168 HA THR 20 HA THR 20 13.469 4.035 7.204 169 HB THR 20 HB THR 20 13.829 5.089 9.308 170 HG1 THR 20 HG1 THR 20 13.878 3.069 10.733 171 HG21 THR 20 3HG2 THR 20 11.512 5.467 9.973 172 HG22 THR 20 1HG2 THR 20 12.411 4.696 11.280 173 HG23 THR 20 2HG2 THR 20 11.306 3.743 10.287 174 H ALA 21 H ALA 21 13.627 1.826 7.135 175 HA ALA 21 HA ALA 21 11.186 0.241 7.626 176 HB1 ALA 21 3HB ALA 21 12.882 0.068 5.127 177 HB2 ALA 21 1HB ALA 21 11.293 0.830 5.233 178 HB3 ALA 21 2HB ALA 21 11.458 -0.906 5.494 179 HA PRO 22 HA PRO 22 14.044 -2.827 9.251 180 HB2 PRO 22 2HB PRO 22 12.704 -5.130 8.858 181 HB3 PRO 22 3HB PRO 22 12.145 -3.916 10.017 182 HG2 PRO 22 2HG PRO 22 11.206 -4.418 7.206 183 HG3 PRO 22 3HG PRO 22 10.244 -4.141 8.672 184 HD2 PRO 22 2HD PRO 22 10.769 -2.180 6.852 185 HD3 PRO 22 3HD PRO 22 10.537 -1.853 8.583 186 H ALA 23 H ALA 23 13.071 -2.909 5.936 187 HA ALA 23 HA ALA 23 15.596 -3.880 5.031 188 HB1 ALA 23 3HB ALA 23 14.592 -6.023 5.712 189 HB2 ALA 23 1HB ALA 23 14.864 -5.946 3.971 190 HB3 ALA 23 2HB ALA 23 13.239 -5.728 4.621 191 H GLY 24 H GLY 24 15.157 -4.600 2.493 192 HA2 GLY 24 2HA GLY 24 14.161 -2.157 1.306 193 HA3 GLY 24 3HA GLY 24 14.951 -3.480 0.469 194 H LEU 25 H LEU 25 11.862 -2.454 1.883 195 HA LEU 25 HA LEU 25 10.420 -4.319 0.127 196 HG LEU 25 HG LEU 25 9.903 -5.299 2.459 197 HB2 LEU 25 2HB LEU 25 9.303 -2.363 2.154 198 HB3 LEU 25 3HB LEU 25 8.385 -3.560 1.266 199 HD11 LEU 25 1HD1 LEU 25 11.535 -3.724 3.345 200 HD12 LEU 25 2HD1 LEU 25 10.726 -4.598 4.647 201 HD13 LEU 25 3HD1 LEU 25 10.271 -2.930 4.285 202 HD21 LEU 25 3HD2 LEU 25 8.389 -5.357 4.378 203 HD22 LEU 25 1HD2 LEU 25 7.511 -5.039 2.884 204 HD23 LEU 25 2HD2 LEU 25 7.845 -3.720 4.008 205 H THR 26 H THR 26 9.126 -3.634 -1.599 206 HA THR 26 HA THR 26 9.847 -1.356 -3.031 207 HB THR 26 HB THR 26 8.052 -1.744 -4.524 208 HG1 THR 26 HG1 THR 26 6.231 -1.740 -3.325 209 HG21 THR 26 3HG2 THR 26 8.659 -4.418 -3.241 210 HG22 THR 26 1HG2 THR 26 9.643 -3.612 -4.465 211 HG23 THR 26 2HG2 THR 26 8.019 -4.171 -4.866 212 H ILE 27 H ILE 27 7.301 -1.808 -0.668 213 HA ILE 27 HA ILE 27 5.766 0.460 -0.987 214 HB ILE 27 HB ILE 27 5.333 -1.462 0.580 215 HG12 ILE 27 2HG1 ILE 27 4.210 -0.049 2.331 216 HG13 ILE 27 3HG1 ILE 27 5.050 1.355 1.677 217 HG21 ILE 27 1HG2 ILE 27 7.499 -1.562 1.682 218 HG22 ILE 27 2HG2 ILE 27 6.212 -1.345 2.866 219 HG23 ILE 27 3HG2 ILE 27 7.225 0.023 2.406 220 HD11 ILE 27 3HD1 ILE 27 3.906 1.065 -0.447 221 HD12 ILE 27 1HD1 ILE 27 2.748 1.196 0.877 222 HD13 ILE 27 2HD1 ILE 27 3.105 -0.380 0.170 223 H GLY 28 H GLY 28 8.945 0.180 0.492 224 HA2 GLY 28 2HA GLY 28 8.953 2.668 1.874 225 HA3 GLY 28 3HA GLY 28 10.362 1.710 1.458 226 H SER 29 H SER 29 9.315 1.913 -1.456 227 HA SER 29 HA SER 29 10.409 4.600 -2.001 228 HG SER 29 HG SER 29 11.968 4.469 -4.098 229 HB2 SER 29 2HB SER 29 11.602 2.615 -3.010 230 HB3 SER 29 3HB SER 29 10.156 2.312 -3.972 231 H ASP 30 H ASP 30 7.741 2.400 -2.765 232 HA ASP 30 HA ASP 30 6.318 3.948 -4.582 233 HB2 ASP 30 2HB ASP 30 5.252 2.115 -2.415 234 HB3 ASP 30 3HB ASP 30 4.291 2.748 -3.747 235 H LEU 31 H LEU 31 6.185 4.023 -1.022 236 HA LEU 31 HA LEU 31 4.081 5.871 -0.778 237 HG LEU 31 HG LEU 31 5.204 7.360 1.820 238 HB2 LEU 31 2HB LEU 31 4.836 4.449 1.061 239 HB3 LEU 31 3HB LEU 31 6.365 5.305 1.115 240 HD11 LEU 31 1HD1 LEU 31 2.717 5.649 1.801 241 HD12 LEU 31 2HD1 LEU 31 3.064 7.005 0.726 242 HD13 LEU 31 3HD1 LEU 31 2.833 7.285 2.452 243 HD21 LEU 31 3HD2 LEU 31 4.597 6.632 4.074 244 HD22 LEU 31 1HD2 LEU 31 6.064 5.828 3.521 245 HD23 LEU 31 2HD2 LEU 31 4.529 4.957 3.526 246 H GLU 32 H GLU 32 7.598 6.467 -0.534 247 HA GLU 32 HA GLU 32 7.526 9.185 -0.045 248 HB2 GLU 32 2HB GLU 32 9.627 7.767 -1.696 249 HB3 GLU 32 3HB GLU 32 9.829 9.261 -0.789 250 HG2 GLU 32 2HG GLU 32 9.447 6.478 0.284 251 HG3 GLU 32 3HG GLU 32 10.841 7.536 0.478 252 H ARG 33 H ARG 33 7.377 7.530 -3.167 253 HA ARG 33 HA ARG 33 7.509 9.789 -4.838 254 HE ARG 33 HE ARG 33 9.798 6.547 -7.923 255 HB2 ARG 33 2HB ARG 33 6.091 7.142 -5.204 256 HB3 ARG 33 3HB ARG 33 6.211 8.359 -6.469 257 HG2 ARG 33 2HG ARG 33 8.647 8.190 -6.415 258 HG3 ARG 33 3HG ARG 33 8.539 6.984 -5.131 259 HD2 ARG 33 2HD ARG 33 7.399 5.447 -6.606 260 HD3 ARG 33 3HD ARG 33 7.312 6.672 -7.873 261 HH11 ARG 33 1HH1 ARG 33 7.965 3.870 -6.774 262 HH12 ARG 33 2HH1 ARG 33 9.215 2.733 -7.138 263 HH21 ARG 33 1HH2 ARG 33 11.361 5.087 -8.410 264 HH22 ARG 33 2HH2 ARG 33 11.107 3.406 -8.081 265 H VAL 34 H VAL 34 4.747 8.242 -3.245 266 HA VAL 34 HA VAL 34 2.740 9.892 -4.372 267 HB VAL 34 HB VAL 34 2.753 8.292 -1.803 268 HG11 VAL 34 1HG1 VAL 34 0.423 9.606 -3.213 269 HG12 VAL 34 2HG1 VAL 34 1.070 10.035 -1.628 270 HG13 VAL 34 3HG1 VAL 34 0.294 8.471 -1.868 271 HG21 VAL 34 3HG2 VAL 34 1.639 7.700 -4.550 272 HG22 VAL 34 1HG2 VAL 34 1.410 6.692 -3.121 273 HG23 VAL 34 2HG2 VAL 34 3.025 6.922 -3.785 274 H ILE 35 H ILE 35 4.537 10.099 -1.306 275 HA ILE 35 HA ILE 35 3.208 12.325 -0.217 276 HB ILE 35 HB ILE 35 6.106 11.521 0.147 277 HG12 ILE 35 2HG1 ILE 35 3.655 10.806 1.788 278 HG13 ILE 35 3HG1 ILE 35 4.514 9.710 0.709 279 HG21 ILE 35 1HG2 ILE 35 4.346 13.281 1.861 280 HG22 ILE 35 2HG2 ILE 35 5.720 13.807 0.891 281 HG23 ILE 35 3HG2 ILE 35 5.975 12.748 2.276 282 HD11 ILE 35 3HD1 ILE 35 5.607 10.971 3.215 283 HD12 ILE 35 1HD1 ILE 35 6.511 9.926 2.118 284 HD13 ILE 35 2HD1 ILE 35 5.125 9.288 3.001 285 H SER 36 H SER 36 6.301 12.257 -2.017 286 HA SER 36 HA SER 36 6.744 15.033 -1.977 287 HG SER 36 HG SER 36 8.628 15.614 -3.360 288 HB2 SER 36 2HB SER 36 8.540 13.441 -2.414 289 HB3 SER 36 3HB SER 36 7.782 12.962 -3.930 290 H THR 37 H THR 37 4.849 13.101 -4.222 291 HA THR 37 HA THR 37 4.723 15.282 -6.166 292 HB THR 37 HB THR 37 3.445 13.732 -7.579 293 HG1 THR 37 HG1 THR 37 3.833 11.476 -6.104 294 HG21 THR 37 3HG2 THR 37 5.889 13.667 -7.701 295 HG22 THR 37 1HG2 THR 37 5.213 12.056 -7.945 296 HG23 THR 37 2HG2 THR 37 5.937 12.483 -6.394 297 H HIS 38 H HIS 38 2.345 13.327 -4.332 298 HA HIS 38 HA HIS 38 0.126 14.852 -5.257 299 HD1 HIS 38 HD1 HIS 38 -2.341 12.449 -5.410 300 HD2 HIS 38 HD2 HIS 38 1.608 11.214 -5.028 301 HE1 HIS 38 HE1 HIS 38 -2.077 10.529 -7.003 302 HE2 HIS 38 HE2 HIS 38 0.363 9.925 -6.884 303 HB2 HIS 38 2HB HIS 38 0.351 12.872 -2.978 304 HB3 HIS 38 3HB HIS 38 -1.167 13.586 -3.515 305 H THR 39 H THR 39 1.958 14.937 -2.197 306 HA THR 39 HA THR 39 0.214 17.141 -1.280 307 HB THR 39 HB THR 39 0.939 16.747 0.963 308 HG1 THR 39 HG1 THR 39 2.862 14.981 -0.180 309 HG21 THR 39 3HG2 THR 39 -0.781 15.209 0.178 310 HG22 THR 39 1HG2 THR 39 0.284 14.406 1.331 311 HG23 THR 39 2HG2 THR 39 0.458 14.092 -0.396 312 H ARG 40 H ARG 40 1.785 18.405 0.534 313 HA ARG 40 HA ARG 40 3.637 19.847 -1.209 314 HE ARG 40 HE ARG 40 4.243 24.095 -1.497 315 HB2 ARG 40 2HB ARG 40 1.700 20.846 0.303 316 HB3 ARG 40 3HB ARG 40 2.930 20.770 1.554 317 HG2 ARG 40 2HG ARG 40 2.967 22.963 0.624 318 HG3 ARG 40 3HG ARG 40 4.420 22.126 0.069 319 HD2 ARG 40 2HD ARG 40 3.362 21.669 -2.079 320 HD3 ARG 40 3HD ARG 40 1.867 22.424 -1.525 321 HH11 ARG 40 1HH1 ARG 40 1.372 23.165 -3.171 322 HH12 ARG 40 2HH1 ARG 40 1.357 24.585 -4.155 323 HH21 ARG 40 1HH2 ARG 40 4.204 25.912 -2.752 324 HH22 ARG 40 2HH2 ARG 40 2.945 26.125 -3.923 325 H ALA 41 H ALA 41 3.854 17.381 1.001 326 HA ALA 41 HA ALA 41 6.110 18.339 2.543 327 HB1 ALA 41 3HB ALA 41 4.419 16.927 3.588 328 HB2 ALA 41 1HB ALA 41 6.011 16.171 3.657 329 HB3 ALA 41 2HB ALA 41 4.819 15.613 2.482 330 H LYS 42 H LYS 42 8.223 17.748 2.379 331 HA LYS 42 HA LYS 42 9.003 16.093 0.063 332 HB2 LYS 42 2HB LYS 42 10.043 18.586 1.191 333 HB3 LYS 42 3HB LYS 42 11.307 17.388 0.963 334 HG2 LYS 42 2HG LYS 42 11.099 18.848 -0.975 335 HG3 LYS 42 3HG LYS 42 10.722 17.178 -1.388 336 HD2 LYS 42 2HD LYS 42 9.124 18.589 -2.478 337 HD3 LYS 42 3HD LYS 42 8.294 17.737 -1.176 338 HE2 LYS 42 2HE LYS 42 8.398 19.712 0.229 339 HE3 LYS 42 3HE LYS 42 9.351 20.564 -0.988 340 HZ1 LYS 42 3HZ LYS 42 6.534 19.661 -1.252 341 HZ2 LYS 42 1HZ LYS 42 7.440 20.334 -2.511 342 HZ3 LYS 42 2HZ LYS 42 7.082 21.255 -1.142 343 H VAL 43 H VAL 43 10.936 14.718 0.326 344 HA VAL 43 HA VAL 43 10.903 13.432 2.975 345 HB VAL 43 HB VAL 43 11.833 12.320 0.320 346 HG11 VAL 43 1HG1 VAL 43 11.857 10.150 1.484 347 HG12 VAL 43 2HG1 VAL 43 11.485 10.973 2.999 348 HG13 VAL 43 3HG1 VAL 43 13.011 11.293 2.176 349 HG21 VAL 43 3HG2 VAL 43 9.281 11.807 1.863 350 HG22 VAL 43 1HG2 VAL 43 9.784 10.956 0.401 351 HG23 VAL 43 2HG2 VAL 43 9.419 12.681 0.336 352 H VAL 44 H VAL 44 12.666 13.371 4.237 353 HA VAL 44 HA VAL 44 15.278 14.160 3.081 354 HB VAL 44 HB VAL 44 15.908 15.048 5.288 355 HG11 VAL 44 1HG1 VAL 44 13.319 16.218 4.250 356 HG12 VAL 44 2HG1 VAL 44 14.935 16.563 3.629 357 HG13 VAL 44 3HG1 VAL 44 14.496 17.052 5.267 358 HG21 VAL 44 3HG2 VAL 44 14.505 13.631 6.703 359 HG22 VAL 44 1HG2 VAL 44 13.057 14.428 6.085 360 HG23 VAL 44 2HG2 VAL 44 14.218 15.336 7.053 361 H ASN 45 H ASN 45 17.178 13.139 3.995 362 HA ASN 45 HA ASN 45 16.621 10.363 4.778 363 HB2 ASN 45 2HB ASN 45 18.048 10.986 2.750 364 HB3 ASN 45 3HB ASN 45 19.280 11.499 3.894 365 HD21 ASN 45 1HD2 ASN 45 20.367 9.946 5.099 366 HD22 ASN 45 2HD2 ASN 45 20.316 8.267 4.693 367 H LYS 46 H LYS 46 16.583 12.664 6.690 368 HA LYS 46 HA LYS 46 17.942 11.299 8.807 369 HB2 LYS 46 2HB LYS 46 19.404 13.088 9.549 370 HB3 LYS 46 3HB LYS 46 19.825 12.606 7.915 371 HG2 LYS 46 2HG LYS 46 18.112 15.004 8.522 372 HG3 LYS 46 3HG LYS 46 19.869 15.076 8.427 373 HD2 LYS 46 2HD LYS 46 19.730 14.226 6.096 374 HD3 LYS 46 3HD LYS 46 17.967 14.283 6.214 375 HE2 LYS 46 2HE LYS 46 18.915 16.272 5.087 376 HE3 LYS 46 3HE LYS 46 18.032 16.680 6.557 377 HZ1 LYS 46 3HZ LYS 46 20.086 16.963 7.730 378 HZ2 LYS 46 1HZ LYS 46 20.177 17.864 6.301 379 HZ3 LYS 46 2HZ LYS 46 20.986 16.387 6.418 380 H ALA 47 H ALA 47 17.061 11.726 10.802 381 HA ALA 47 HA ALA 47 14.408 12.766 10.712 382 HB1 ALA 47 3HB ALA 47 16.003 11.821 13.091 383 HB2 ALA 47 1HB ALA 47 15.026 10.803 12.032 384 HB3 ALA 47 2HB ALA 47 14.254 12.038 13.026 385 H GLU 48 H GLU 48 17.435 14.122 11.764 386 HA GLU 48 HA GLU 48 16.886 15.968 13.669 387 HB2 GLU 48 2HB GLU 48 18.636 17.405 12.652 388 HB3 GLU 48 3HB GLU 48 19.103 15.709 12.721 389 HG2 GLU 48 2HG GLU 48 18.615 15.419 10.385 390 HG3 GLU 48 3HG GLU 48 17.966 17.052 10.275 391 H LYS 49 H LYS 49 16.081 16.331 10.240 392 HA LYS 49 HA LYS 49 14.564 18.772 10.904 393 HB2 LYS 49 2HB LYS 49 16.111 18.183 8.369 394 HB3 LYS 49 3HB LYS 49 15.060 19.576 8.599 395 HG2 LYS 49 2HG LYS 49 16.481 20.410 10.376 396 HG3 LYS 49 3HG LYS 49 17.500 18.974 10.270 397 HD2 LYS 49 2HD LYS 49 18.164 19.589 8.001 398 HD3 LYS 49 3HD LYS 49 17.106 21.002 8.060 399 HE2 LYS 49 2HE LYS 49 19.449 21.602 8.478 400 HE3 LYS 49 3HE LYS 49 18.434 21.941 9.881 401 HZ1 LYS 49 3HZ LYS 49 19.221 19.929 10.921 402 HZ2 LYS 49 1HZ LYS 49 20.541 20.886 10.481 403 HZ3 LYS 49 2HZ LYS 49 20.140 19.528 9.560 404 H SER 50 H SER 50 12.990 16.918 11.298 405 HA SER 50 HA SER 50 11.150 16.909 9.056 406 HG SER 50 HG SER 50 12.755 14.534 11.076 407 HB2 SER 50 2HB SER 50 10.785 14.484 9.052 408 HB3 SER 50 3HB SER 50 12.470 14.839 8.667 409 H GLU 51 H GLU 51 9.024 16.883 9.738 410 HA GLU 51 HA GLU 51 8.631 16.955 12.648 411 HB2 GLU 51 2HB GLU 51 6.907 17.933 10.367 412 HB3 GLU 51 3HB GLU 51 6.371 17.928 12.039 413 HG2 GLU 51 2HG GLU 51 7.104 20.121 11.552 414 HG3 GLU 51 3HG GLU 51 8.329 19.393 12.587 415 H ALA 52 H ALA 52 8.545 14.575 10.477 416 HA ALA 52 HA ALA 52 6.635 13.019 12.013 417 HB1 ALA 52 3HB ALA 52 6.233 13.347 9.038 418 HB2 ALA 52 1HB ALA 52 5.228 14.077 10.291 419 HB3 ALA 52 2HB ALA 52 5.289 12.324 10.120 420 H ILE 53 H ILE 53 7.476 11.079 12.358 421 HA ILE 53 HA ILE 53 9.578 10.062 10.555 422 HB ILE 53 HB ILE 53 8.933 9.243 13.404 423 HG12 ILE 53 2HG1 ILE 53 9.820 11.515 13.322 424 HG13 ILE 53 3HG1 ILE 53 11.023 10.424 13.995 425 HG21 ILE 53 1HG2 ILE 53 11.083 8.054 13.333 426 HG22 ILE 53 2HG2 ILE 53 11.248 8.461 11.625 427 HG23 ILE 53 3HG2 ILE 53 9.935 7.411 12.160 428 HD11 ILE 53 3HD1 ILE 53 12.193 10.393 11.852 429 HD12 ILE 53 1HD1 ILE 53 12.032 12.030 12.489 430 HD13 ILE 53 2HD1 ILE 53 10.984 11.489 11.179 431 H ILE 54 H ILE 54 8.828 8.635 9.088 432 HA ILE 54 HA ILE 54 6.491 6.976 9.730 433 HB ILE 54 HB ILE 54 7.869 7.409 7.066 434 HG12 ILE 54 2HG1 ILE 54 5.289 8.576 8.163 435 HG13 ILE 54 3HG1 ILE 54 6.795 9.456 7.931 436 HG21 ILE 54 1HG2 ILE 54 5.259 6.031 7.732 437 HG22 ILE 54 2HG2 ILE 54 6.736 5.253 7.162 438 HG23 ILE 54 3HG2 ILE 54 5.857 6.356 6.103 439 HD11 ILE 54 3HD1 ILE 54 5.202 9.926 6.160 440 HD12 ILE 54 1HD1 ILE 54 5.128 8.211 5.754 441 HD13 ILE 54 2HD1 ILE 54 6.630 9.108 5.524 442 H GLN 55 H GLN 55 6.973 5.065 10.658 443 HA GLN 55 HA GLN 55 9.305 3.535 9.672 444 HB2 GLN 55 2HB GLN 55 8.978 4.163 12.184 445 HB3 GLN 55 3HB GLN 55 7.770 2.891 12.192 446 HG2 GLN 55 2HG GLN 55 10.664 2.507 11.431 447 HG3 GLN 55 3HG GLN 55 10.002 2.189 13.026 448 HE21 GLN 55 1HE2 GLN 55 7.523 1.043 11.945 449 HE22 GLN 55 2HE2 GLN 55 7.958 -0.509 11.336 450 H ILE 56 H ILE 56 8.586 2.256 8.001 451 HA ILE 56 HA ILE 56 5.961 1.005 8.133 452 HB ILE 56 HB ILE 56 6.897 1.940 6.000 453 HG12 ILE 56 2HG1 ILE 56 5.070 0.152 6.126 454 HG13 ILE 56 3HG1 ILE 56 5.892 0.333 4.584 455 HG21 ILE 56 1HG2 ILE 56 9.199 1.243 6.222 456 HG22 ILE 56 2HG2 ILE 56 8.518 0.629 4.716 457 HG23 ILE 56 3HG2 ILE 56 8.729 -0.451 6.095 458 HD11 ILE 56 3HD1 ILE 56 7.260 -1.640 5.109 459 HD12 ILE 56 1HD1 ILE 56 5.533 -1.995 5.087 460 HD13 ILE 56 2HD1 ILE 56 6.378 -1.825 6.624 461 H VAL 57 H VAL 57 5.551 -1.074 8.719 462 HA VAL 57 HA VAL 57 7.771 -2.498 9.983 463 HB VAL 57 HB VAL 57 4.813 -3.120 10.135 464 HG11 VAL 57 1HG1 VAL 57 7.125 -4.018 11.860 465 HG12 VAL 57 2HG1 VAL 57 6.236 -5.015 10.708 466 HG13 VAL 57 3HG1 VAL 57 5.423 -4.389 12.143 467 HG21 VAL 57 3HG2 VAL 57 5.242 -0.876 10.981 468 HG22 VAL 57 1HG2 VAL 57 6.533 -1.490 12.014 469 HG23 VAL 57 2HG2 VAL 57 4.862 -1.968 12.313 470 H HIS 58 H HIS 58 4.979 -3.465 7.918 471 HA HIS 58 HA HIS 58 6.642 -5.234 6.367 472 HD1 HIS 58 HD1 HIS 58 3.493 -8.465 8.007 473 HD2 HIS 58 HD2 HIS 58 4.149 -4.694 9.614 474 HE1 HIS 58 HE1 HIS 58 1.591 -8.069 9.590 475 HE2 HIS 58 HE2 HIS 58 1.938 -5.737 10.448 476 HB2 HIS 58 2HB HIS 58 5.423 -7.321 6.935 477 HB3 HIS 58 3HB HIS 58 6.337 -6.676 8.292 478 H ALA 59 H ALA 59 5.705 -5.927 4.454 479 HA ALA 59 HA ALA 59 2.911 -5.198 3.907 480 HB1 ALA 59 3HB ALA 59 4.239 -3.256 3.224 481 HB2 ALA 59 1HB ALA 59 3.519 -4.060 1.828 482 HB3 ALA 59 2HB ALA 59 5.230 -4.288 2.193 483 H ILE 60 H ILE 60 2.120 -7.203 3.421 484 HA ILE 60 HA ILE 60 3.792 -9.035 1.818 485 HB ILE 60 HB ILE 60 1.411 -9.745 3.554 486 HG12 ILE 60 2HG1 ILE 60 3.249 -10.861 4.982 487 HG13 ILE 60 3HG1 ILE 60 4.382 -9.824 4.122 488 HG21 ILE 60 1HG2 ILE 60 3.442 -11.489 2.153 489 HG22 ILE 60 2HG2 ILE 60 1.736 -11.314 1.737 490 HG23 ILE 60 3HG2 ILE 60 2.197 -12.063 3.264 491 HD11 ILE 60 3HD1 ILE 60 2.063 -8.896 5.808 492 HD12 ILE 60 1HD1 ILE 60 3.206 -7.854 4.959 493 HD13 ILE 60 2HD1 ILE 60 3.764 -8.886 6.274 494 H ARG 61 H ARG 61 3.178 -9.581 -0.196 495 HA ARG 61 HA ARG 61 0.369 -9.117 -0.989 496 HE ARG 61 HE ARG 61 3.682 -6.488 -2.372 497 HB2 ARG 61 2HB ARG 61 1.199 -8.759 -3.292 498 HB3 ARG 61 3HB ARG 61 1.836 -7.582 -2.156 499 HG2 ARG 61 2HG ARG 61 3.936 -8.965 -2.045 500 HG3 ARG 61 3HG ARG 61 3.284 -9.926 -3.375 501 HD2 ARG 61 2HD ARG 61 4.760 -8.266 -4.293 502 HD3 ARG 61 3HD ARG 61 3.104 -7.829 -4.718 503 HH11 ARG 61 1HH1 ARG 61 4.938 -6.548 -5.576 504 HH12 ARG 61 2HH1 ARG 61 5.462 -4.905 -5.518 505 HH21 ARG 61 1HH2 ARG 61 4.384 -4.395 -2.292 506 HH22 ARG 61 2HH2 ARG 61 5.184 -3.704 -3.660 507 H GLU 62 H GLU 62 -0.753 -10.913 -1.369 508 HA GLU 62 HA GLU 62 0.634 -13.310 -2.381 509 HB2 GLU 62 2HB GLU 62 -1.305 -13.196 -0.066 510 HB3 GLU 62 3HB GLU 62 -0.816 -14.687 -0.856 511 HG2 GLU 62 2HG GLU 62 1.533 -14.204 -0.235 512 HG3 GLU 62 3HG GLU 62 0.973 -12.783 0.647 513 H LYS 63 H LYS 63 -0.935 -15.011 -3.126 514 HA LYS 63 HA LYS 63 -3.516 -14.007 -4.036 515 HB2 LYS 63 2HB LYS 63 -3.054 -14.727 -6.384 516 HB3 LYS 63 3HB LYS 63 -2.126 -13.330 -5.863 517 HG2 LYS 63 2HG LYS 63 -0.178 -14.803 -5.474 518 HG3 LYS 63 3HG LYS 63 -1.115 -16.165 -6.095 519 HD2 LYS 63 2HD LYS 63 -0.411 -13.652 -7.630 520 HD3 LYS 63 3HD LYS 63 0.374 -15.223 -7.809 521 HE2 LYS 63 2HE LYS 63 -1.747 -16.201 -8.554 522 HE3 LYS 63 3HE LYS 63 -2.541 -14.639 -8.353 523 HZ1 LYS 63 3HZ LYS 63 -1.163 -13.717 -10.074 524 HZ2 LYS 63 1HZ LYS 63 -1.928 -15.105 -10.661 525 HZ3 LYS 63 2HZ LYS 63 -0.297 -15.161 -10.225 526 H ARG 64 H ARG 64 -4.926 -15.510 -3.423 527 HA ARG 64 HA ARG 64 -4.206 -18.369 -3.718 528 HE ARG 64 HE ARG 64 -1.908 -16.134 0.316 529 HB2 ARG 64 2HB ARG 64 -5.998 -17.174 -1.585 530 HB3 ARG 64 3HB ARG 64 -5.610 -18.875 -1.775 531 HG2 ARG 64 2HG ARG 64 -4.184 -18.311 -0.085 532 HG3 ARG 64 3HG ARG 64 -3.138 -18.028 -1.476 533 HD2 ARG 64 2HD ARG 64 -3.493 -15.671 -1.361 534 HD3 ARG 64 3HD ARG 64 -4.786 -15.861 -0.174 535 HH11 ARG 64 1HH1 ARG 64 -5.138 -16.171 1.546 536 HH12 ARG 64 2HH1 ARG 64 -4.620 -16.018 3.188 537 HH21 ARG 64 1HH2 ARG 64 -1.269 -15.962 2.424 538 HH22 ARG 64 2HH2 ARG 64 -2.458 -15.894 3.683 539 H ILE 65 H ILE 65 -6.529 -19.654 -3.399 540 HA ILE 65 HA ILE 65 -8.182 -18.643 -5.604 541 HB ILE 65 HB ILE 65 -7.258 -21.186 -5.083 542 HG12 ILE 65 2HG1 ILE 65 -8.041 -20.371 -7.254 543 HG13 ILE 65 3HG1 ILE 65 -8.769 -21.926 -6.882 544 HG21 ILE 65 1HG2 ILE 65 -8.809 -21.479 -3.199 545 HG22 ILE 65 2HG2 ILE 65 -9.145 -22.611 -4.510 546 HG23 ILE 65 3HG2 ILE 65 -10.173 -21.193 -4.283 547 HD11 ILE 65 3HD1 ILE 65 -10.069 -19.220 -6.767 548 HD12 ILE 65 1HD1 ILE 65 -10.814 -20.692 -6.144 549 HD13 ILE 65 2HD1 ILE 65 -10.435 -20.555 -7.858 550 H LEU 66 H LEU 66 -10.359 -18.124 -5.379 551 HA LEU 66 HA LEU 66 -11.392 -18.072 -2.611 552 HG LEU 66 HG LEU 66 -13.896 -16.300 -3.269 553 HB2 LEU 66 2HB LEU 66 -10.920 -15.857 -3.608 554 HB3 LEU 66 3HB LEU 66 -12.051 -16.211 -4.901 555 HD11 LEU 66 1HD1 LEU 66 -12.622 -17.035 -1.312 556 HD12 LEU 66 2HD1 LEU 66 -13.549 -15.576 -0.964 557 HD13 LEU 66 3HD1 LEU 66 -11.809 -15.470 -1.246 558 HD21 LEU 66 3HD2 LEU 66 -13.393 -14.200 -4.402 559 HD22 LEU 66 1HD2 LEU 66 -12.257 -13.767 -3.124 560 HD23 LEU 66 2HD2 LEU 66 -13.978 -13.907 -2.764 561 H SER 67 H SER 67 -12.677 -18.044 -5.960 562 HA SER 67 HA SER 67 -14.955 -19.673 -4.998 563 HG SER 67 HG SER 67 -15.787 -16.338 -5.994 564 HB2 SER 67 2HB SER 67 -14.877 -17.715 -7.314 565 HB3 SER 67 3HB SER 67 -16.270 -18.696 -6.858 566 H LEU 68 H LEU 68 -15.386 -21.581 -5.934 567 HA LEU 68 HA LEU 68 -13.649 -22.445 -8.163 568 HG LEU 68 HG LEU 68 -13.103 -22.934 -5.102 569 HB2 LEU 68 2HB LEU 68 -15.065 -24.105 -6.067 570 HB3 LEU 68 3HB LEU 68 -14.045 -24.738 -7.344 571 HD11 LEU 68 1HD1 LEU 68 -11.972 -24.939 -4.249 572 HD12 LEU 68 2HD1 LEU 68 -12.724 -25.903 -5.519 573 HD13 LEU 68 3HD1 LEU 68 -13.724 -25.145 -4.278 574 HD21 LEU 68 3HD2 LEU 68 -11.802 -22.652 -7.160 575 HD22 LEU 68 1HD2 LEU 68 -11.541 -24.395 -7.241 576 HD23 LEU 68 2HD2 LEU 68 -10.853 -23.459 -5.912 577 H SER 69 H SER 69 -14.560 -24.057 -9.649 578 HA SER 69 HA SER 69 -17.465 -23.747 -10.107 579 HG SER 69 HG SER 69 -15.530 -22.591 -12.928 580 HB2 SER 69 2HB SER 69 -15.290 -24.554 -12.063 581 HB3 SER 69 3HB SER 69 -17.008 -24.478 -12.441 582 H GLU 70 H GLU 70 -18.703 -25.480 -9.675 583 HA GLU 70 HA GLU 70 -19.415 -27.624 -9.372 584 HB2 GLU 70 2HB GLU 70 -18.544 -27.732 -11.764 585 HB3 GLU 70 3HB GLU 70 -17.081 -28.451 -11.112 586 HG2 GLU 70 2HG GLU 70 -18.442 -30.303 -10.194 587 HG3 GLU 70 3HG GLU 70 -19.867 -29.593 -10.952 588 H SER 71 H SER 71 -17.325 -26.439 -7.616 589 HA SER 71 HA SER 71 -16.028 -26.964 -5.824 590 HG SER 71 HG SER 71 -18.786 -29.047 -4.813 591 HB2 SER 71 2HB SER 71 -17.236 -29.725 -6.168 592 HB3 SER 71 3HB SER 71 -16.349 -29.173 -4.749 593 H GLY 72 H GLY 72 -14.936 -27.325 -8.580 594 HA2 GLY 72 2HA GLY 72 -12.545 -28.832 -7.790 595 HA3 GLY 72 3HA GLY 72 -13.395 -29.392 -9.219 596 H ARG 73 H ARG 73 -14.023 -27.132 -10.566 597 HA ARG 73 HA ARG 73 -11.458 -26.314 -11.596 598 HE ARG 73 HE ARG 73 -11.110 -26.116 -14.484 599 HB2 ARG 73 2HB ARG 73 -14.223 -25.387 -12.396 600 HB3 ARG 73 3HB ARG 73 -12.746 -25.169 -13.324 601 HG2 ARG 73 2HG ARG 73 -13.981 -27.840 -12.646 602 HG3 ARG 73 3HG ARG 73 -14.189 -26.985 -14.176 603 HD2 ARG 73 2HD ARG 73 -11.567 -27.964 -13.033 604 HD3 ARG 73 3HD ARG 73 -12.471 -28.723 -14.343 605 HH11 ARG 73 1HH1 ARG 73 -12.488 -28.873 -16.044 606 HH12 ARG 73 2HH1 ARG 73 -11.985 -28.359 -17.618 607 HH21 ARG 73 1HH2 ARG 73 -10.445 -25.495 -16.490 608 HH22 ARG 73 2HH2 ARG 73 -10.840 -26.467 -17.869 609 H VAL 74 H VAL 74 -11.476 -23.781 -12.332 610 HA VAL 74 HA VAL 74 -11.538 -22.329 -9.753 611 HB VAL 74 HB VAL 74 -9.736 -21.914 -12.154 612 HG11 VAL 74 1HG1 VAL 74 -9.657 -20.518 -9.476 613 HG12 VAL 74 2HG1 VAL 74 -10.207 -19.799 -10.987 614 HG13 VAL 74 3HG1 VAL 74 -8.524 -20.292 -10.808 615 HG21 VAL 74 3HG2 VAL 74 -9.099 -23.006 -9.407 616 HG22 VAL 74 1HG2 VAL 74 -7.946 -22.747 -10.716 617 HG23 VAL 74 2HG2 VAL 74 -9.223 -23.951 -10.891 618 H ARG 75 H ARG 75 -12.512 -20.339 -9.585 619 HA ARG 75 HA ARG 75 -13.463 -19.034 -12.064 620 HE ARG 75 HE ARG 75 -17.637 -21.750 -11.562 621 HB2 ARG 75 2HB ARG 75 -14.847 -19.142 -9.375 622 HB3 ARG 75 3HB ARG 75 -15.320 -18.051 -10.670 623 HG2 ARG 75 2HG ARG 75 -15.792 -19.985 -12.107 624 HG3 ARG 75 3HG ARG 75 -15.356 -21.061 -10.777 625 HD2 ARG 75 2HD ARG 75 -17.163 -20.126 -9.419 626 HD3 ARG 75 3HD ARG 75 -17.588 -19.027 -10.731 627 HH11 ARG 75 1HH1 ARG 75 -19.442 -19.339 -9.888 628 HH12 ARG 75 2HH1 ARG 75 -20.963 -20.100 -10.211 629 HH21 ARG 75 1HH2 ARG 75 -19.591 -22.711 -11.978 630 HH22 ARG 75 2HH2 ARG 75 -21.046 -21.982 -11.398 631 H GLU 76 H GLU 76 -13.518 -17.871 -8.711 632 HA GLU 76 HA GLU 76 -12.165 -15.441 -9.648 633 HB2 GLU 76 2HB GLU 76 -13.775 -15.892 -7.121 634 HB3 GLU 76 3HB GLU 76 -13.134 -14.348 -7.677 635 HG2 GLU 76 2HG GLU 76 -14.551 -14.528 -9.697 636 HG3 GLU 76 3HG GLU 76 -15.229 -16.022 -9.056 637 H PHE 77 H PHE 77 -10.142 -15.048 -9.103 638 HA PHE 77 HA PHE 77 -8.845 -16.667 -7.032 639 HD1 PHE 77 HD1 PHE 77 -7.520 -18.468 -8.723 640 HD2 PHE 77 HD2 PHE 77 -5.263 -15.046 -7.552 641 HE1 PHE 77 HE1 PHE 77 -5.653 -19.927 -8.063 642 HE2 PHE 77 HE2 PHE 77 -3.397 -16.507 -6.892 643 HZ PHE 77 HZ PHE 77 -3.589 -18.949 -7.148 644 HB2 PHE 77 2HB PHE 77 -8.042 -16.136 -9.547 645 HB3 PHE 77 3HB PHE 77 -7.290 -14.767 -8.736 646 H GLU 78 H GLU 78 -8.003 -15.800 -5.175 647 HA GLU 78 HA GLU 78 -8.854 -13.092 -4.502 648 HB2 GLU 78 2HB GLU 78 -9.430 -14.887 -2.963 649 HB3 GLU 78 3HB GLU 78 -7.737 -15.331 -2.796 650 HG2 GLU 78 2HG GLU 78 -7.287 -13.129 -1.774 651 HG3 GLU 78 3HG GLU 78 -9.006 -12.750 -1.880 652 H LEU 79 H LEU 79 -7.437 -11.531 -5.084 653 HA LEU 79 HA LEU 79 -4.567 -11.895 -4.582 654 HG LEU 79 HG LEU 79 -6.332 -11.457 -7.304 655 HB2 LEU 79 2HB LEU 79 -5.990 -9.532 -5.826 656 HB3 LEU 79 3HB LEU 79 -4.260 -9.826 -5.814 657 HD11 LEU 79 1HD1 LEU 79 -5.256 -10.582 -9.312 658 HD12 LEU 79 2HD1 LEU 79 -4.177 -9.601 -8.318 659 HD13 LEU 79 3HD1 LEU 79 -5.911 -9.281 -8.319 660 HD21 LEU 79 3HD2 LEU 79 -4.406 -12.641 -8.276 661 HD22 LEU 79 1HD2 LEU 79 -4.533 -12.893 -6.535 662 HD23 LEU 79 2HD2 LEU 79 -3.330 -11.774 -7.178 663 H VAL 80 H VAL 80 -4.102 -11.597 -2.444 664 HA VAL 80 HA VAL 80 -5.443 -9.386 -1.013 665 HB VAL 80 HB VAL 80 -5.895 -11.545 -0.016 666 HG11 VAL 80 1HG1 VAL 80 -4.146 -12.974 0.911 667 HG12 VAL 80 2HG1 VAL 80 -2.907 -11.875 0.302 668 HG13 VAL 80 3HG1 VAL 80 -3.928 -12.765 -0.827 669 HG21 VAL 80 3HG2 VAL 80 -5.687 -9.658 1.509 670 HG22 VAL 80 1HG2 VAL 80 -3.953 -9.948 1.663 671 HG23 VAL 80 2HG2 VAL 80 -5.106 -11.133 2.278 672 H TYR 81 H TYR 81 -4.312 -7.665 -0.368 673 HA TYR 81 HA TYR 81 -1.381 -7.893 -0.076 674 HD1 TYR 81 HD2 TYR 81 0.443 -7.081 -0.565 675 HD2 TYR 81 HD1 TYR 81 -1.646 -3.483 -1.459 676 HE1 TYR 81 HE2 TYR 81 2.536 -5.822 -0.336 677 HE2 TYR 81 HE1 TYR 81 0.450 -2.212 -1.233 678 HH TYR 81 HH TYR 81 2.642 -2.428 -0.149 679 HB2 TYR 81 2HB TYR 81 -2.026 -6.651 -2.144 680 HB3 TYR 81 3HB TYR 81 -2.871 -5.477 -1.141 681 H ARG 82 H ARG 82 -0.553 -7.196 1.795 682 HA ARG 82 HA ARG 82 -2.273 -5.685 3.668 683 HE ARG 82 HE ARG 82 -1.470 -7.961 6.987 684 HB2 ARG 82 2HB ARG 82 -0.171 -7.787 4.241 685 HB3 ARG 82 3HB ARG 82 -0.967 -6.828 5.480 686 HG2 ARG 82 2HG ARG 82 -3.111 -7.809 4.914 687 HG3 ARG 82 3HG ARG 82 -2.372 -8.712 3.589 688 HD2 ARG 82 2HD ARG 82 -2.731 -10.077 5.639 689 HD3 ARG 82 3HD ARG 82 -1.044 -10.001 5.132 690 HH11 ARG 82 1HH1 ARG 82 -1.385 -11.416 6.917 691 HH12 ARG 82 2HH1 ARG 82 -0.924 -11.526 8.579 692 HH21 ARG 82 1HH2 ARG 82 -0.861 -8.130 9.075 693 HH22 ARG 82 2HH2 ARG 82 -0.645 -9.691 9.793 694 H VAL 83 H VAL 83 -1.447 -3.844 4.581 695 HA VAL 83 HA VAL 83 1.458 -3.338 4.398 696 HB VAL 83 HB VAL 83 -0.652 -1.274 3.696 697 HG11 VAL 83 1HG1 VAL 83 2.365 -1.083 3.737 698 HG12 VAL 83 2HG1 VAL 83 1.241 -0.258 4.816 699 HG13 VAL 83 3HG1 VAL 83 1.279 0.153 3.102 700 HG21 VAL 83 3HG2 VAL 83 1.350 -2.675 1.919 701 HG22 VAL 83 1HG2 VAL 83 0.304 -1.341 1.430 702 HG23 VAL 83 2HG2 VAL 83 -0.400 -2.890 1.896 703 H ALA 84 H ALA 84 2.112 -3.171 6.473 704 HA ALA 84 HA ALA 84 0.455 -1.572 8.335 705 HB1 ALA 84 3HB ALA 84 1.285 -2.936 10.165 706 HB2 ALA 84 1HB ALA 84 2.262 -3.882 9.043 707 HB3 ALA 84 2HB ALA 84 0.502 -3.947 8.951 708 H ALA 85 H ALA 85 1.381 0.133 9.297 709 HA ALA 85 HA ALA 85 4.307 0.359 9.402 710 HB1 ALA 85 3HB ALA 85 4.237 2.644 8.508 711 HB2 ALA 85 1HB ALA 85 2.506 2.478 8.216 712 HB3 ALA 85 2HB ALA 85 3.651 1.470 7.329 713 H ARG 86 H ARG 86 4.735 2.703 10.484 714 HA ARG 86 HA ARG 86 2.851 3.169 12.690 715 HE ARG 86 HE ARG 86 5.085 -1.277 14.696 716 HB2 ARG 86 2HB ARG 86 5.833 2.725 13.020 717 HB3 ARG 86 3HB ARG 86 4.773 3.332 14.285 718 HG2 ARG 86 2HG ARG 86 3.492 1.227 14.193 719 HG3 ARG 86 3HG ARG 86 4.611 0.618 12.974 720 HD2 ARG 86 2HD ARG 86 6.458 0.783 14.562 721 HD3 ARG 86 3HD ARG 86 5.368 1.454 15.778 722 HH11 ARG 86 1HH1 ARG 86 5.113 0.931 17.346 723 HH12 ARG 86 2HH1 ARG 86 4.613 -0.270 18.486 724 HH21 ARG 86 1HH2 ARG 86 4.468 -2.797 16.151 725 HH22 ARG 86 2HH2 ARG 86 4.244 -2.367 17.810 726 H LEU 87 H LEU 87 2.654 5.295 13.274 727 HA LEU 87 HA LEU 87 4.275 7.236 11.751 728 HG LEU 87 HG LEU 87 3.042 9.067 10.696 729 HB2 LEU 87 2HB LEU 87 1.711 7.034 11.470 730 HB3 LEU 87 3HB LEU 87 1.606 7.807 13.038 731 HD11 LEU 87 1HD1 LEU 87 0.704 8.642 10.098 732 HD12 LEU 87 2HD1 LEU 87 1.028 10.368 10.290 733 HD13 LEU 87 3HD1 LEU 87 0.181 9.482 11.560 734 HD21 LEU 87 3HD2 LEU 87 2.680 11.148 11.962 735 HD22 LEU 87 1HD2 LEU 87 3.645 9.986 12.875 736 HD23 LEU 87 2HD2 LEU 87 1.941 10.219 13.268 737 H LEU 88 H LEU 88 5.893 7.999 12.997 738 HA LEU 88 HA LEU 88 5.430 8.324 15.888 739 HG LEU 88 HG LEU 88 6.537 6.050 15.985 740 HB2 LEU 88 2HB LEU 88 8.053 8.113 14.398 741 HB3 LEU 88 3HB LEU 88 7.874 8.263 16.134 742 HD11 LEU 88 1HD1 LEU 88 6.288 6.008 13.549 743 HD12 LEU 88 2HD1 LEU 88 7.145 4.587 14.141 744 HD13 LEU 88 3HD1 LEU 88 8.040 5.898 13.372 745 HD21 LEU 88 3HD2 LEU 88 9.509 6.096 15.470 746 HD22 LEU 88 1HD2 LEU 88 8.596 4.739 16.133 747 HD23 LEU 88 2HD2 LEU 88 8.715 6.248 17.038 748 H ASP 89 H ASP 89 6.468 10.092 16.980 749 HA ASP 89 HA ASP 89 6.054 12.619 15.713 750 HB2 ASP 89 2HB ASP 89 5.530 12.263 18.076 751 HB3 ASP 89 3HB ASP 89 7.214 11.888 18.417 752 H ALA 90 H ALA 90 7.758 14.381 15.888 753 HA ALA 90 HA ALA 90 9.919 13.849 14.222 754 HB1 ALA 90 3HB ALA 90 9.608 16.133 16.170 755 HB2 ALA 90 1HB ALA 90 8.946 16.067 14.537 756 HB3 ALA 90 2HB ALA 90 10.694 16.097 14.780 757 H HIS 91 H HIS 91 9.713 13.283 17.618 758 HA HIS 91 HA HIS 91 12.621 13.189 17.952 759 HD1 HIS 91 HD1 HIS 91 13.438 14.646 20.739 760 HD2 HIS 91 HD2 HIS 91 9.618 15.534 19.362 761 HE1 HIS 91 HE1 HIS 91 13.191 17.133 20.991 762 HE2 HIS 91 HE2 HIS 91 10.935 17.662 20.017 763 HB2 HIS 91 2HB HIS 91 10.335 12.817 19.893 764 HB3 HIS 91 3HB HIS 91 12.023 12.580 20.335 765 H ASN 92 H ASN 92 10.794 11.184 16.388 766 HA ASN 92 HA ASN 92 10.774 8.969 15.880 767 HB2 ASN 92 2HB ASN 92 13.383 8.959 17.411 768 HB3 ASN 92 3HB ASN 92 12.815 7.646 16.385 769 HD21 ASN 92 1HD2 ASN 92 14.526 7.776 14.988 770 HD22 ASN 92 2HD2 ASN 92 14.746 9.098 13.899 771 H ALA 93 H ALA 93 9.837 9.925 18.710 772 HA ALA 93 HA ALA 93 10.061 7.527 20.305 773 HB1 ALA 93 3HB ALA 93 8.341 9.977 20.736 774 HB2 ALA 93 1HB ALA 93 9.970 9.734 21.367 775 HB3 ALA 93 2HB ALA 93 8.650 8.703 21.919 776 H GLU 94 H GLU 94 7.068 9.254 19.482 777 HA GLU 94 HA GLU 94 5.853 7.237 17.939 778 HB2 GLU 94 2HB GLU 94 4.188 6.398 19.579 779 HB3 GLU 94 3HB GLU 94 5.831 5.912 19.976 780 HG2 GLU 94 2HG GLU 94 5.956 7.686 21.658 781 HG3 GLU 94 3HG GLU 94 4.313 8.185 21.256 782 H LEU 95 H LEU 95 3.468 7.666 17.626 783 HA LEU 95 HA LEU 95 2.428 10.155 18.678 784 HG LEU 95 HG LEU 95 2.611 12.454 15.754 785 HB2 LEU 95 2HB LEU 95 3.966 10.610 16.600 786 HB3 LEU 95 3HB LEU 95 2.600 10.014 15.680 787 HD11 LEU 95 1HD1 LEU 95 0.440 11.313 15.658 788 HD12 LEU 95 2HD1 LEU 95 0.340 12.855 16.507 789 HD13 LEU 95 3HD1 LEU 95 0.351 11.346 17.419 790 HD21 LEU 95 3HD2 LEU 95 3.785 12.754 17.877 791 HD22 LEU 95 1HD2 LEU 95 2.369 12.167 18.752 792 HD23 LEU 95 2HD2 LEU 95 2.283 13.676 17.841 793 H ALA 96 H ALA 96 1.732 8.299 15.693 794 HA ALA 96 HA ALA 96 -1.029 7.965 16.699 795 HB1 ALA 96 3HB ALA 96 -1.818 8.161 14.410 796 HB2 ALA 96 1HB ALA 96 -0.160 8.326 13.831 797 HB3 ALA 96 2HB ALA 96 -0.865 9.576 14.856 798 H SER 97 H SER 97 -1.953 5.993 16.655 799 HA SER 97 HA SER 97 -0.371 3.674 16.054 800 HG SER 97 HG SER 97 -3.946 3.870 15.864 801 HB2 SER 97 2HB SER 97 -2.373 2.391 16.737 802 HB3 SER 97 3HB SER 97 -1.981 3.643 17.914 803 H LEU 98 H LEU 98 0.020 4.153 13.772 804 HA LEU 98 HA LEU 98 -2.054 4.232 11.846 805 HG LEU 98 HG LEU 98 -0.293 2.965 9.415 806 HB2 LEU 98 2HB LEU 98 0.254 5.086 11.503 807 HB3 LEU 98 3HB LEU 98 0.841 3.434 11.489 808 HD11 LEU 98 1HD1 LEU 98 -2.344 4.232 9.817 809 HD12 LEU 98 2HD1 LEU 98 -1.645 4.634 8.249 810 HD13 LEU 98 3HD1 LEU 98 -1.459 5.744 9.608 811 HD21 LEU 98 3HD2 LEU 98 0.825 4.542 7.918 812 HD22 LEU 98 1HD2 LEU 98 1.879 4.095 9.259 813 HD23 LEU 98 2HD2 LEU 98 1.068 5.662 9.261 814 H GLN 99 H GLN 99 -3.377 2.624 11.261 815 HA GLN 99 HA GLN 99 -2.941 -0.042 12.246 816 HB2 GLN 99 2HB GLN 99 -5.168 1.092 10.544 817 HB3 GLN 99 3HB GLN 99 -5.167 -0.520 11.243 818 HG2 GLN 99 2HG GLN 99 -5.156 2.085 12.756 819 HG3 GLN 99 3HG GLN 99 -6.522 0.988 12.565 820 HE21 GLN 99 1HE2 GLN 99 -3.534 1.576 14.190 821 HE22 GLN 99 2HE2 GLN 99 -3.669 0.299 15.345 822 H GLU 100 H GLU 100 -3.655 -1.917 10.699 823 HA GLU 100 HA GLU 100 -1.752 -1.885 8.479 824 HB2 GLU 100 2HB GLU 100 -1.532 -3.704 10.078 825 HB3 GLU 100 3HB GLU 100 -3.208 -4.171 9.831 826 HG2 GLU 100 2HG GLU 100 -2.777 -4.977 7.656 827 HG3 GLU 100 3HG GLU 100 -1.204 -4.185 7.590 828 H ILE 101 H ILE 101 -2.419 -1.515 6.502 829 HA ILE 101 HA ILE 101 -5.165 -1.438 5.716 830 HB ILE 101 HB ILE 101 -2.743 -1.352 3.902 831 HG12 ILE 101 2HG1 ILE 101 -4.075 1.019 5.237 832 HG13 ILE 101 3HG1 ILE 101 -2.636 0.243 5.886 833 HG21 ILE 101 1HG2 ILE 101 -4.908 -1.571 2.761 834 HG22 ILE 101 2HG2 ILE 101 -4.185 0.007 2.455 835 HG23 ILE 101 3HG2 ILE 101 -5.509 -0.145 3.611 836 HD11 ILE 101 3HD1 ILE 101 -2.839 1.501 3.166 837 HD12 ILE 101 1HD1 ILE 101 -1.394 0.809 3.899 838 HD13 ILE 101 2HD1 ILE 101 -2.130 2.254 4.594 839 H ARG 102 H ARG 102 -6.282 -2.797 4.326 840 HA ARG 102 HA ARG 102 -5.047 -5.348 3.555 841 HE ARG 102 HE ARG 102 -8.224 -4.036 8.399 842 HB2 ARG 102 2HB ARG 102 -7.316 -6.378 4.436 843 HB3 ARG 102 3HB ARG 102 -5.967 -6.100 5.533 844 HG2 ARG 102 2HG ARG 102 -6.992 -3.948 6.200 845 HG3 ARG 102 3HG ARG 102 -8.371 -4.313 5.162 846 HD2 ARG 102 2HD ARG 102 -9.008 -6.163 6.507 847 HD3 ARG 102 3HD ARG 102 -7.482 -6.132 7.393 848 HH11 ARG 102 1HH1 ARG 102 -10.641 -5.923 6.822 849 HH12 ARG 102 2HH1 ARG 102 -11.918 -5.295 7.804 850 HH21 ARG 102 1HH2 ARG 102 -9.868 -3.232 9.639 851 HH22 ARG 102 2HH2 ARG 102 -11.486 -3.785 9.390 852 H LEU 103 H LEU 103 -5.307 -5.390 1.409 853 HA LEU 103 HA LEU 103 -7.933 -4.619 0.280 854 HG LEU 103 HG LEU 103 -5.137 -2.777 0.451 855 HB2 LEU 103 2HB LEU 103 -5.277 -4.569 -1.163 856 HB3 LEU 103 3HB LEU 103 -6.813 -3.973 -1.763 857 HD11 LEU 103 1HD1 LEU 103 -5.915 -1.760 -2.282 858 HD12 LEU 103 2HD1 LEU 103 -4.310 -2.281 -1.764 859 HD13 LEU 103 3HD1 LEU 103 -5.038 -0.838 -1.060 860 HD21 LEU 103 3HD2 LEU 103 -7.846 -1.877 -0.544 861 HD22 LEU 103 1HD2 LEU 103 -6.832 -1.028 0.624 862 HD23 LEU 103 2HD2 LEU 103 -7.513 -2.603 1.028 863 H THR 104 H THR 104 -9.047 -6.168 -0.780 864 HA THR 104 HA THR 104 -7.575 -8.543 -1.761 865 HB THR 104 HB THR 104 -9.751 -9.827 -1.344 866 HG1 THR 104 HG1 THR 104 -11.098 -8.006 -0.925 867 HG21 THR 104 3HG2 THR 104 -8.205 -8.792 1.044 868 HG22 THR 104 1HG2 THR 104 -7.739 -10.147 0.016 869 HG23 THR 104 2HG2 THR 104 -9.194 -10.253 1.011 870 H ARG 105 H ARG 105 -7.495 -8.285 -3.904 871 HA ARG 105 HA ARG 105 -9.788 -7.187 -5.354 872 HE ARG 105 HE ARG 105 -8.184 -3.629 -4.330 873 HB2 ARG 105 2HB ARG 105 -6.978 -7.857 -6.259 874 HB3 ARG 105 3HB ARG 105 -8.230 -7.225 -7.322 875 HG2 ARG 105 2HG ARG 105 -7.090 -5.837 -4.901 876 HG3 ARG 105 3HG ARG 105 -6.734 -5.456 -6.586 877 HD2 ARG 105 2HD ARG 105 -8.528 -4.124 -6.701 878 HD3 ARG 105 3HD ARG 105 -9.585 -5.438 -6.191 879 HH11 ARG 105 1HH1 ARG 105 -10.928 -5.535 -5.198 880 HH12 ARG 105 2HH1 ARG 105 -11.780 -5.148 -3.744 881 HH21 ARG 105 1HH2 ARG 105 -9.323 -3.119 -2.492 882 HH22 ARG 105 2HH2 ARG 105 -10.892 -3.809 -2.242 883 H ILE 106 H ILE 106 -10.929 -8.253 -6.941 884 HA ILE 106 HA ILE 106 -10.819 -11.184 -6.785 885 HB ILE 106 HB ILE 106 -12.990 -9.405 -7.923 886 HG12 ILE 106 2HG1 ILE 106 -12.762 -9.059 -5.512 887 HG13 ILE 106 3HG1 ILE 106 -14.243 -9.946 -5.859 888 HG21 ILE 106 1HG2 ILE 106 -13.010 -11.626 -8.917 889 HG22 ILE 106 2HG2 ILE 106 -14.393 -11.428 -7.840 890 HG23 ILE 106 3HG2 ILE 106 -12.994 -12.366 -7.316 891 HD11 ILE 106 3HD1 ILE 106 -13.128 -10.838 -3.905 892 HD12 ILE 106 1HD1 ILE 106 -11.665 -11.129 -4.845 893 HD13 ILE 106 2HD1 ILE 106 -13.140 -12.029 -5.205 894 H LEU 107 H LEU 107 -9.678 -12.167 -8.341 895 HA LEU 107 HA LEU 107 -9.545 -11.044 -11.046 896 HG LEU 107 HG LEU 107 -6.359 -12.920 -11.610 897 HB2 LEU 107 2HB LEU 107 -7.492 -11.846 -9.852 898 HB3 LEU 107 3HB LEU 107 -8.147 -13.468 -9.890 899 HD11 LEU 107 1HD1 LEU 107 -7.406 -14.182 -13.400 900 HD12 LEU 107 2HD1 LEU 107 -8.997 -13.907 -12.690 901 HD13 LEU 107 3HD1 LEU 107 -7.802 -14.880 -11.830 902 HD21 LEU 107 3HD2 LEU 107 -8.613 -11.386 -12.901 903 HD22 LEU 107 1HD2 LEU 107 -7.036 -11.722 -13.615 904 HD23 LEU 107 2HD2 LEU 107 -7.157 -10.682 -12.197 905 HA PRO 108 HA PRO 108 -12.878 -13.978 -12.032 906 HB2 PRO 108 2HB PRO 108 -13.585 -12.891 -14.392 907 HB3 PRO 108 3HB PRO 108 -14.012 -12.132 -12.854 908 HG2 PRO 108 2HG PRO 108 -11.763 -11.468 -14.727 909 HG3 PRO 108 3HG PRO 108 -12.886 -10.372 -13.899 910 HD2 PRO 108 2HD PRO 108 -10.357 -10.882 -13.000 911 HD3 PRO 108 3HD PRO 108 -11.702 -10.454 -11.923 912 H PHE 109 H PHE 109 -12.618 -15.948 -12.935 913 HA PHE 109 HA PHE 109 -11.076 -16.209 -15.420 914 HD1 PHE 109 HD2 PHE 109 -8.829 -17.434 -16.176 915 HD2 PHE 109 HD1 PHE 109 -10.509 -20.067 -13.280 916 HE1 PHE 109 HE2 PHE 109 -7.999 -19.367 -17.455 917 HE2 PHE 109 HE1 PHE 109 -9.682 -21.999 -14.557 918 HZ PHE 109 HZ PHE 109 -8.426 -21.653 -16.643 919 HB2 PHE 109 2HB PHE 109 -9.428 -16.718 -13.751 920 HB3 PHE 109 3HB PHE 109 -10.544 -17.764 -12.880 921 H LEU 110 H LEU 110 -11.788 -17.702 -16.803 922 HA LEU 110 HA LEU 110 -13.685 -19.770 -15.915 923 HG LEU 110 HG LEU 110 -14.938 -16.969 -16.339 924 HB2 LEU 110 2HB LEU 110 -13.978 -18.021 -18.373 925 HB3 LEU 110 3HB LEU 110 -14.935 -19.456 -18.062 926 HD11 LEU 110 1HD1 LEU 110 -17.174 -16.573 -17.246 927 HD12 LEU 110 2HD1 LEU 110 -16.995 -17.964 -18.315 928 HD13 LEU 110 3HD1 LEU 110 -15.957 -16.552 -18.521 929 HD21 LEU 110 3HD2 LEU 110 -15.426 -19.001 -15.067 930 HD22 LEU 110 1HD2 LEU 110 -16.676 -19.439 -16.232 931 HD23 LEU 110 2HD2 LEU 110 -16.864 -17.997 -15.235 932 H ASP 111 H ASP 111 -13.544 -21.737 -17.133 933 HA ASP 111 HA ASP 111 -11.018 -22.451 -18.052 934 HB2 ASP 111 2HB ASP 111 -12.181 -24.463 -19.051 935 HB3 ASP 111 3HB ASP 111 -12.506 -24.169 -17.344 936 H ALA 112 H ALA 112 -13.696 -21.055 -19.846 937 HA ALA 112 HA ALA 112 -12.416 -21.405 -22.426 938 HB1 ALA 112 3HB ALA 112 -14.854 -21.471 -22.240 939 HB2 ALA 112 1HB ALA 112 -14.325 -20.177 -23.316 940 HB3 ALA 112 2HB ALA 112 -14.858 -19.799 -21.678 941 H GLN 113 H GLN 113 -12.252 -19.090 -19.902 942 HA GLN 113 HA GLN 113 -11.398 -16.941 -21.706 943 HB2 GLN 113 2HB GLN 113 -12.451 -17.012 -18.929 944 HB3 GLN 113 3HB GLN 113 -11.293 -15.745 -19.298 945 HG2 GLN 113 2HG GLN 113 -13.811 -16.261 -20.872 946 HG3 GLN 113 3HG GLN 113 -13.651 -15.054 -19.591 947 HE21 GLN 113 1HE2 GLN 113 -14.269 -14.641 -22.397 948 HE22 GLN 113 2HE2 GLN 113 -13.037 -13.598 -23.015 949 H GLU 114 H GLU 114 -9.336 -17.243 -22.303 950 HA GLU 114 HA GLU 114 -7.302 -17.495 -20.192 951 HB2 GLU 114 2HB GLU 114 -5.717 -17.935 -22.023 952 HB3 GLU 114 3HB GLU 114 -7.070 -19.060 -22.049 953 HG2 GLU 114 2HG GLU 114 -8.113 -17.747 -23.848 954 HG3 GLU 114 3HG GLU 114 -6.737 -16.646 -23.826 955 H LEU 115 H LEU 115 -8.803 -15.182 -22.198 956 HA LEU 115 HA LEU 115 -6.601 -13.394 -22.568 957 HG LEU 115 HG LEU 115 -9.123 -12.719 -25.238 958 HB2 LEU 115 2HB LEU 115 -9.583 -12.916 -22.770 959 HB3 LEU 115 3HB LEU 115 -8.361 -11.744 -23.223 960 HD11 LEU 115 1HD1 LEU 115 -6.717 -12.433 -25.153 961 HD12 LEU 115 2HD1 LEU 115 -7.147 -13.824 -26.148 962 HD13 LEU 115 3HD1 LEU 115 -6.527 -14.066 -24.514 963 HD21 LEU 115 3HD2 LEU 115 -8.687 -15.440 -24.007 964 HD22 LEU 115 1HD2 LEU 115 -9.197 -15.122 -25.666 965 HD23 LEU 115 2HD2 LEU 115 -10.246 -14.674 -24.322 966 H ALA 116 H ALA 116 -9.391 -13.409 -20.358 967 HA ALA 116 HA ALA 116 -9.045 -11.019 -19.044 968 HB1 ALA 116 3HB ALA 116 -10.324 -11.978 -17.216 969 HB2 ALA 116 1HB ALA 116 -9.973 -13.608 -17.799 970 HB3 ALA 116 2HB ALA 116 -10.972 -12.521 -18.763 971 H LYS 117 H LYS 117 -7.081 -13.869 -18.709 972 HA LYS 117 HA LYS 117 -6.072 -13.369 -16.097 973 HB2 LYS 117 2HB LYS 117 -4.970 -15.053 -18.359 974 HB3 LYS 117 3HB LYS 117 -4.360 -15.078 -16.709 975 HG2 LYS 117 2HG LYS 117 -7.185 -15.785 -17.501 976 HG3 LYS 117 3HG LYS 117 -5.891 -16.955 -17.231 977 HD2 LYS 117 2HD LYS 117 -6.881 -14.982 -15.160 978 HD3 LYS 117 3HD LYS 117 -7.400 -16.663 -15.268 979 HE2 LYS 117 2HE LYS 117 -4.570 -15.714 -14.806 980 HE3 LYS 117 3HE LYS 117 -5.651 -16.375 -13.578 981 HZ1 LYS 117 3HZ LYS 117 -4.707 -17.838 -15.987 982 HZ2 LYS 117 1HZ LYS 117 -5.681 -18.466 -14.755 983 HZ3 LYS 117 2HZ LYS 117 -4.082 -18.028 -14.431 984 H ALA 118 H ALA 118 -5.316 -11.917 -19.108 985 HA ALA 118 HA ALA 118 -2.574 -11.243 -18.389 986 HB1 ALA 118 3HB ALA 118 -2.447 -10.188 -20.577 987 HB2 ALA 118 1HB ALA 118 -4.183 -10.414 -20.805 988 HB3 ALA 118 2HB ALA 118 -3.117 -11.815 -20.711 989 H ALA 119 H ALA 119 -5.280 -9.187 -19.527 990 HA ALA 119 HA ALA 119 -4.119 -6.804 -18.547 991 HB1 ALA 119 3HB ALA 119 -6.185 -5.722 -19.190 992 HB2 ALA 119 1HB ALA 119 -7.006 -7.282 -19.286 993 HB3 ALA 119 2HB ALA 119 -5.716 -6.892 -20.423 994 H GLU 120 H GLU 120 -6.935 -8.651 -17.313 995 HA GLU 120 HA GLU 120 -7.587 -6.918 -15.230 996 HB2 GLU 120 2HB GLU 120 -8.085 -9.846 -15.684 997 HB3 GLU 120 3HB GLU 120 -8.589 -9.091 -14.182 998 HG2 GLU 120 2HG GLU 120 -10.392 -9.239 -15.853 999 HG3 GLU 120 3HG GLU 120 -10.047 -7.588 -15.347 1000 H GLU 121 H GLU 121 -5.653 -9.938 -14.962 1001 HA GLU 121 HA GLU 121 -5.099 -9.710 -12.231 1002 HB2 GLU 121 2HB GLU 121 -4.715 -11.741 -13.673 1003 HB3 GLU 121 3HB GLU 121 -3.255 -10.965 -14.278 1004 HG2 GLU 121 2HG GLU 121 -2.308 -10.939 -12.044 1005 HG3 GLU 121 3HG GLU 121 -3.790 -11.626 -11.383 1006 H GLU 122 H GLU 122 -3.186 -8.543 -15.007 1007 HA GLU 122 HA GLU 122 -1.032 -7.426 -13.615 1008 HB2 GLU 122 2HB GLU 122 -1.039 -7.655 -16.047 1009 HB3 GLU 122 3HB GLU 122 -2.349 -6.487 -16.177 1010 HG2 GLU 122 2HG GLU 122 -0.784 -4.810 -15.098 1011 HG3 GLU 122 3HG GLU 122 0.500 -5.990 -15.348 1012 H MET 123 H MET 123 -4.062 -5.858 -14.676 1013 HA MET 123 HA MET 123 -3.512 -3.316 -13.617 1014 HB2 MET 123 2HB MET 123 -6.147 -4.669 -14.220 1015 HB3 MET 123 3HB MET 123 -6.009 -2.979 -13.754 1016 HG2 MET 123 2HG MET 123 -4.624 -2.550 -15.728 1017 HG3 MET 123 3HG MET 123 -4.767 -4.244 -16.193 1018 HE1 MET 123 3HE MET 123 -6.779 -0.901 -15.551 1019 HE2 MET 123 1HE MET 123 -7.637 -2.095 -14.577 1020 HE3 MET 123 2HE MET 123 -8.409 -1.402 -16.002 1021 H LEU 124 H LEU 124 -4.973 -6.164 -12.141 1022 HA LEU 124 HA LEU 124 -5.887 -4.851 -9.788 1023 HG LEU 124 HG LEU 124 -7.220 -6.943 -11.609 1024 HB2 LEU 124 2HB LEU 124 -5.291 -7.761 -10.320 1025 HB3 LEU 124 3HB LEU 124 -6.024 -7.167 -8.841 1026 HD11 LEU 124 1HD1 LEU 124 -7.994 -8.677 -9.263 1027 HD12 LEU 124 2HD1 LEU 124 -7.271 -9.226 -10.775 1028 HD13 LEU 124 3HD1 LEU 124 -8.890 -8.530 -10.775 1029 HD21 LEU 124 3HD2 LEU 124 -9.211 -6.094 -10.469 1030 HD22 LEU 124 1HD2 LEU 124 -7.821 -5.038 -10.215 1031 HD23 LEU 124 2HD2 LEU 124 -8.346 -6.126 -8.930 1032 H TYR 125 H TYR 125 -2.832 -6.521 -10.566 1033 HA TYR 125 HA TYR 125 -1.668 -6.478 -8.022 1034 HD1 TYR 125 HD2 TYR 125 -0.783 -8.255 -7.613 1035 HD2 TYR 125 HD1 TYR 125 0.008 -8.345 -11.799 1036 HE1 TYR 125 HE2 TYR 125 -0.758 -10.711 -7.549 1037 HE2 TYR 125 HE1 TYR 125 0.038 -10.800 -11.741 1038 HH TYR 125 HH TYR 125 0.449 -12.585 -10.086 1039 HB2 TYR 125 2HB TYR 125 -0.453 -6.296 -10.774 1040 HB3 TYR 125 3HB TYR 125 0.549 -6.268 -9.329 1041 H LYS 126 H LYS 126 -1.133 -4.068 -10.611 1042 HA LYS 126 HA LYS 126 0.098 -2.202 -8.856 1043 HB2 LYS 126 2HB LYS 126 -0.259 -0.582 -10.781 1044 HB3 LYS 126 3HB LYS 126 0.696 -2.017 -11.122 1045 HG2 LYS 126 2HG LYS 126 -1.384 -3.060 -12.083 1046 HG3 LYS 126 3HG LYS 126 -2.158 -1.481 -11.922 1047 HD2 LYS 126 2HD LYS 126 -0.608 -0.476 -13.433 1048 HD3 LYS 126 3HD LYS 126 0.422 -1.909 -13.431 1049 HE2 LYS 126 2HE LYS 126 -1.497 -3.170 -14.463 1050 HE3 LYS 126 3HE LYS 126 -2.338 -1.627 -14.626 1051 HZ1 LYS 126 3HZ LYS 126 -0.592 -0.828 -16.045 1052 HZ2 LYS 126 1HZ LYS 126 -1.164 -2.299 -16.652 1053 HZ3 LYS 126 2HZ LYS 126 0.308 -2.242 -15.824 1054 H ASP 127 H ASP 127 -3.228 -2.900 -9.497 1055 HA ASP 127 HA ASP 127 -4.357 -0.460 -8.573 1056 HB2 ASP 127 2HB ASP 127 -5.600 -2.302 -9.778 1057 HB3 ASP 127 3HB ASP 127 -5.556 -3.227 -8.283 1058 H MET 128 H MET 128 -3.411 -3.469 -6.937 1059 HA MET 128 HA MET 128 -4.197 -2.723 -4.330 1060 HB2 MET 128 2HB MET 128 -1.997 -4.609 -5.209 1061 HB3 MET 128 3HB MET 128 -2.598 -4.470 -3.562 1062 HG2 MET 128 2HG MET 128 -4.852 -5.119 -4.390 1063 HG3 MET 128 3HG MET 128 -4.137 -5.399 -5.976 1064 HE1 MET 128 3HE MET 128 -1.650 -8.350 -5.198 1065 HE2 MET 128 1HE MET 128 -1.291 -6.625 -5.181 1066 HE3 MET 128 2HE MET 128 -2.303 -7.302 -6.458 1067 H GLN 129 H GLN 129 -1.032 -2.439 -5.974 1068 HA GLN 129 HA GLN 129 0.345 -1.095 -3.947 1069 HB2 GLN 129 2HB GLN 129 0.608 -0.929 -6.953 1070 HB3 GLN 129 3HB GLN 129 1.669 -0.039 -5.873 1071 HG2 GLN 129 2HG GLN 129 1.413 -3.021 -6.164 1072 HG3 GLN 129 3HG GLN 129 2.812 -2.007 -6.515 1073 HE21 GLN 129 1HE2 GLN 129 3.917 -1.021 -4.701 1074 HE22 GLN 129 2HE2 GLN 129 3.840 -1.764 -3.147 1075 H LYS 130 H LYS 130 -1.426 0.327 -6.693 1076 HA LYS 130 HA LYS 130 -1.064 3.006 -6.086 1077 HB2 LYS 130 2HB LYS 130 -1.925 2.261 -8.224 1078 HB3 LYS 130 3HB LYS 130 -3.381 1.640 -7.466 1079 HG2 LYS 130 2HG LYS 130 -4.138 3.866 -6.950 1080 HG3 LYS 130 3HG LYS 130 -2.610 4.556 -7.503 1081 HD2 LYS 130 2HD LYS 130 -3.061 3.900 -9.772 1082 HD3 LYS 130 3HD LYS 130 -4.483 2.983 -9.278 1083 HE2 LYS 130 2HE LYS 130 -5.038 5.166 -10.316 1084 HE3 LYS 130 3HE LYS 130 -5.640 5.008 -8.669 1085 HZ1 LYS 130 3HZ LYS 130 -3.991 6.440 -7.862 1086 HZ2 LYS 130 1HZ LYS 130 -4.565 7.185 -9.266 1087 HZ3 LYS 130 2HZ LYS 130 -3.083 6.370 -9.286 1088 H ASP 131 H ASP 131 -3.937 1.018 -5.222 1089 HA ASP 131 HA ASP 131 -5.175 3.143 -3.819 1090 HB2 ASP 131 2HB ASP 131 -6.349 1.133 -4.786 1091 HB3 ASP 131 3HB ASP 131 -5.735 0.197 -3.424 1092 H ALA 132 H ALA 132 -3.264 0.350 -2.660 1093 HA ALA 132 HA ALA 132 -3.584 0.799 0.093 1094 HB1 ALA 132 3HB ALA 132 -1.235 -0.452 -1.331 1095 HB2 ALA 132 1HB ALA 132 -2.682 -1.288 -0.762 1096 HB3 ALA 132 2HB ALA 132 -1.565 -0.567 0.399 1097 H VAL 133 H VAL 133 -0.980 1.937 -2.089 1098 HA VAL 133 HA VAL 133 0.475 3.259 -0.063 1099 HB VAL 133 HB VAL 133 1.363 2.630 -2.336 1100 HG11 VAL 133 1HG1 VAL 133 1.097 4.220 -4.177 1101 HG12 VAL 133 2HG1 VAL 133 -0.041 5.160 -3.213 1102 HG13 VAL 133 3HG1 VAL 133 -0.454 3.518 -3.711 1103 HG21 VAL 133 3HG2 VAL 133 2.880 4.553 -2.482 1104 HG22 VAL 133 1HG2 VAL 133 2.630 4.041 -0.812 1105 HG23 VAL 133 2HG2 VAL 133 1.810 5.476 -1.427 1106 H GLN 134 H GLN 134 -2.265 4.301 -2.030 1107 HA GLN 134 HA GLN 134 -2.217 7.032 -1.176 1108 HB2 GLN 134 2HB GLN 134 -4.556 5.377 -2.157 1109 HB3 GLN 134 3HB GLN 134 -4.562 7.121 -1.951 1110 HG2 GLN 134 2HG GLN 134 -2.949 5.530 -3.931 1111 HG3 GLN 134 3HG GLN 134 -4.306 6.597 -4.272 1112 HE21 GLN 134 1HE2 GLN 134 -0.946 6.400 -3.513 1113 HE22 GLN 134 2HE2 GLN 134 -0.574 8.053 -3.824 1114 H GLN 135 H GLN 135 -3.805 4.091 0.037 1115 HA GLN 135 HA GLN 135 -5.385 5.146 2.070 1116 HB2 GLN 135 2HB GLN 135 -3.771 2.584 2.114 1117 HB3 GLN 135 3HB GLN 135 -5.053 2.973 3.248 1118 HG2 GLN 135 2HG GLN 135 -5.398 2.617 0.279 1119 HG3 GLN 135 3HG GLN 135 -5.748 1.399 1.500 1120 HE21 GLN 135 1HE2 GLN 135 -7.559 2.453 -0.403 1121 HE22 GLN 135 2HE2 GLN 135 -8.823 3.230 0.476 1122 H ILE 136 H ILE 136 -1.945 4.234 2.173 1123 HA ILE 136 HA ILE 136 -1.376 4.754 4.842 1124 HB ILE 136 HB ILE 136 0.483 5.324 2.520 1125 HG12 ILE 136 2HG1 ILE 136 0.099 2.740 4.058 1126 HG13 ILE 136 3HG1 ILE 136 -0.491 3.036 2.427 1127 HG21 ILE 136 1HG2 ILE 136 1.067 4.652 5.409 1128 HG22 ILE 136 2HG2 ILE 136 1.277 6.229 4.646 1129 HG23 ILE 136 3HG2 ILE 136 2.273 4.865 4.140 1130 HD11 ILE 136 3HD1 ILE 136 2.385 2.949 3.306 1131 HD12 ILE 136 1HD1 ILE 136 1.834 3.338 1.675 1132 HD13 ILE 136 2HD1 ILE 136 1.527 1.738 2.352 1133 H LEU 137 H LEU 137 -0.758 6.997 2.128 1134 HA LEU 137 HA LEU 137 -0.129 9.258 3.618 1135 HG LEU 137 HG LEU 137 -1.772 11.315 1.764 1136 HB2 LEU 137 2HB LEU 137 0.279 9.152 1.243 1137 HB3 LEU 137 3HB LEU 137 -1.437 9.015 0.907 1138 HD11 LEU 137 1HD1 LEU 137 0.131 11.420 3.297 1139 HD12 LEU 137 2HD1 LEU 137 0.159 12.762 2.155 1140 HD13 LEU 137 3HD1 LEU 137 1.247 11.392 1.930 1141 HD21 LEU 137 3HD2 LEU 137 -1.466 10.922 -0.628 1142 HD22 LEU 137 1HD2 LEU 137 0.281 11.082 -0.444 1143 HD23 LEU 137 2HD2 LEU 137 -0.770 12.468 -0.148 1144 H ARG 138 H ARG 138 -3.293 8.101 2.563 1145 HA ARG 138 HA ARG 138 -4.910 10.258 3.251 1146 HE ARG 138 HE ARG 138 -9.756 8.269 3.776 1147 HB2 ARG 138 2HB ARG 138 -5.477 8.104 2.010 1148 HB3 ARG 138 3HB ARG 138 -5.658 7.342 3.578 1149 HG2 ARG 138 2HG ARG 138 -7.260 9.752 2.739 1150 HG3 ARG 138 3HG ARG 138 -7.774 8.097 2.418 1151 HD2 ARG 138 2HD ARG 138 -7.570 7.695 4.916 1152 HD3 ARG 138 3HD ARG 138 -7.394 9.443 5.087 1153 HH11 ARG 138 1HH1 ARG 138 -8.379 10.313 6.170 1154 HH12 ARG 138 2HH1 ARG 138 -9.912 10.879 6.731 1155 HH21 ARG 138 1HH2 ARG 138 -11.708 8.984 4.480 1156 HH22 ARG 138 2HH2 ARG 138 -11.793 10.133 5.771 1157 H GLN 139 H GLN 139 -3.710 7.597 5.278 1158 HA GLN 139 HA GLN 139 -5.035 8.586 7.660 1159 HB2 GLN 139 2HB GLN 139 -2.960 6.405 7.323 1160 HB3 GLN 139 3HB GLN 139 -3.848 6.742 8.803 1161 HG2 GLN 139 2HG GLN 139 -5.064 5.855 6.191 1162 HG3 GLN 139 3HG GLN 139 -4.770 4.829 7.595 1163 HE21 GLN 139 1HE2 GLN 139 -6.064 5.098 9.437 1164 HE22 GLN 139 2HE2 GLN 139 -7.573 5.932 9.369 1165 H VAL 140 H VAL 140 -1.731 8.568 6.370 1166 HA VAL 140 HA VAL 140 -0.424 9.625 8.635 1167 HB VAL 140 HB VAL 140 0.371 9.793 5.713 1168 HG11 VAL 140 1HG1 VAL 140 1.567 11.492 7.005 1169 HG12 VAL 140 2HG1 VAL 140 2.659 10.198 6.513 1170 HG13 VAL 140 3HG1 VAL 140 2.068 10.270 8.174 1171 HG21 VAL 140 3HG2 VAL 140 0.121 7.502 6.545 1172 HG22 VAL 140 1HG2 VAL 140 1.214 7.862 7.880 1173 HG23 VAL 140 2HG2 VAL 140 1.813 7.881 6.221 1174 H SER 141 H SER 141 -2.454 11.154 6.313 1175 HA SER 141 HA SER 141 -1.579 13.836 7.125 1176 HG SER 141 HG SER 141 -3.531 12.080 4.395 1177 HB2 SER 141 2HB SER 141 -3.170 14.641 5.399 1178 HB3 SER 141 3HB SER 141 -1.994 13.505 4.739 1179 H ALA 142 H ALA 142 -4.482 11.778 7.221 1180 HA ALA 142 HA ALA 142 -6.008 13.808 8.625 1181 HB1 ALA 142 3HB ALA 142 -7.061 12.458 6.881 1182 HB2 ALA 142 1HB ALA 142 -7.875 12.258 8.431 1183 HB3 ALA 142 2HB ALA 142 -6.787 11.002 7.838 1184 H PHE 143 H PHE 143 -3.767 11.660 9.768 1185 HA PHE 143 HA PHE 143 -5.010 10.386 11.931 1186 HD1 PHE 143 HD2 PHE 143 -1.801 12.112 9.950 1187 HD2 PHE 143 HD1 PHE 143 -1.543 11.460 14.148 1188 HE1 PHE 143 HE2 PHE 143 -0.057 13.837 10.110 1189 HE2 PHE 143 HE1 PHE 143 0.203 13.185 14.313 1190 HZ PHE 143 HZ PHE 143 0.950 14.375 12.291 1191 HB2 PHE 143 2HB PHE 143 -2.837 10.012 12.834 1192 HB3 PHE 143 3HB PHE 143 -2.655 9.985 11.085 1193 H THR 144 H THR 144 -3.904 13.688 11.606 1194 HA THR 144 HA THR 144 -3.941 14.243 14.442 1195 HB THR 144 HB THR 144 -2.310 15.392 13.051 1196 HG1 THR 144 HG1 THR 144 -2.888 16.586 14.830 1197 HG21 THR 144 3HG2 THR 144 -4.683 16.679 11.687 1198 HG22 THR 144 1HG2 THR 144 -3.563 15.527 10.957 1199 HG23 THR 144 2HG2 THR 144 -2.996 17.126 11.440 1200 H SER 145 H SER 145 -6.350 14.143 12.058 1201 HA SER 145 HA SER 145 -8.016 16.208 13.260 1202 HG SER 145 HG SER 145 -8.488 16.229 9.767 1203 HB2 SER 145 2HB SER 145 -8.620 14.252 11.022 1204 HB3 SER 145 3HB SER 145 -9.697 15.543 11.555 1205 H ALA 146 H ALA 146 -8.313 15.429 15.363 1206 HA ALA 146 HA ALA 146 -9.503 12.783 15.747 1207 HB1 ALA 146 3HB ALA 146 -8.632 14.831 17.786 1208 HB2 ALA 146 1HB ALA 146 -7.661 13.480 17.198 1209 HB3 ALA 146 2HB ALA 146 -9.132 13.172 18.122 1210 H GLY 147 H GLY 147 -10.261 16.046 17.029 1211 HA2 GLY 147 2HA GLY 147 -12.436 17.043 16.950 1212 HA3 GLY 147 3HA GLY 147 -13.134 15.443 16.747 1213 H LEU 148 H LEU 148 -11.301 17.392 19.100 1214 HA LEU 148 HA LEU 148 -11.903 15.684 21.318 1215 HG LEU 148 HG LEU 148 -9.311 17.015 20.105 1216 HB2 LEU 148 2HB LEU 148 -10.867 18.521 21.279 1217 HB3 LEU 148 3HB LEU 148 -10.852 17.456 22.672 1218 HD11 LEU 148 1HD1 LEU 148 -8.411 18.854 21.432 1219 HD12 LEU 148 2HD1 LEU 148 -7.328 17.463 21.453 1220 HD13 LEU 148 3HD1 LEU 148 -8.345 17.809 22.851 1221 HD21 LEU 148 3HD2 LEU 148 -9.952 14.894 21.104 1222 HD22 LEU 148 1HD2 LEU 148 -9.332 15.420 22.671 1223 HD23 LEU 148 2HD2 LEU 148 -8.224 15.174 21.320 1224 H GLU 149 H GLU 149 -14.061 17.474 19.722 1225 HA GLU 149 HA GLU 149 -15.388 18.868 21.867 1226 HB2 GLU 149 2HB GLU 149 -16.314 18.153 19.077 1227 HB3 GLU 149 3HB GLU 149 -17.184 19.211 20.178 1228 HG2 GLU 149 2HG GLU 149 -15.346 20.801 20.138 1229 HG3 GLU 149 3HG GLU 149 -14.416 19.723 19.097 1230 H HIS 150 H HIS 150 -15.388 15.622 20.753 1231 HA HIS 150 HA HIS 150 -18.118 14.968 21.190 1232 HD1 HIS 150 HD1 HIS 150 -14.618 13.620 18.886 1233 HD2 HIS 150 HD2 HIS 150 -18.766 13.744 18.626 1234 HE1 HIS 150 HE1 HIS 150 -15.133 13.941 16.452 1235 HE2 HIS 150 HE2 HIS 150 -17.640 13.869 16.302 1236 HB2 HIS 150 2HB HIS 150 -15.700 13.151 21.079 1237 HB3 HIS 150 3HB HIS 150 -17.379 12.620 21.004 1238 H HIS 151 H HIS 151 -18.984 15.303 23.147 1239 HA HIS 151 HA HIS 151 -17.572 14.811 25.604 1240 HD1 HIS 151 HD1 HIS 151 -20.293 17.508 23.687 1241 HD2 HIS 151 HD2 HIS 151 -17.786 17.624 26.995 1242 HE1 HIS 151 HE1 HIS 151 -19.350 19.830 23.731 1243 HE2 HIS 151 HE2 HIS 151 -17.951 19.920 25.813 1244 HB2 HIS 151 2HB HIS 151 -20.495 15.460 25.133 1245 HB3 HIS 151 3HB HIS 151 -19.683 15.480 26.695 1246 H HIS 152 H HIS 152 -17.087 12.544 25.175 1247 HA HIS 152 HA HIS 152 -18.959 10.850 26.586 1248 HD1 HIS 152 HD1 HIS 152 -20.664 10.100 22.471 1249 HD2 HIS 152 HD2 HIS 152 -21.024 9.940 26.605 1250 HE1 HIS 152 HE1 HIS 152 -23.125 9.968 22.923 1251 HE2 HIS 152 HE2 HIS 152 -23.328 9.993 25.430 1252 HB2 HIS 152 2HB HIS 152 -18.472 10.532 23.665 1253 HB3 HIS 152 3HB HIS 152 -18.464 9.056 24.622 1254 H HIS 153 H HIS 153 -16.338 11.902 27.115 1255 HA HIS 153 HA HIS 153 -14.781 9.390 27.275 1256 HD1 HIS 153 HD1 HIS 153 -14.536 12.999 25.152 1257 HD2 HIS 153 HD2 HIS 153 -12.245 9.529 25.165 1258 HE1 HIS 153 HE1 HIS 153 -13.910 12.595 22.756 1259 HE2 HIS 153 HE2 HIS 153 -12.336 10.636 22.832 1260 HB2 HIS 153 2HB HIS 153 -13.788 12.248 27.500 1261 HB3 HIS 153 3HB HIS 153 -12.790 10.803 27.615 1262 H HIS 154 H HIS 154 -14.070 8.682 29.295 1263 HA HIS 154 HA HIS 154 -15.626 9.560 31.543 1264 HD1 HIS 154 HD1 HIS 154 -13.928 5.655 30.058 1265 HD2 HIS 154 HD2 HIS 154 -17.239 7.310 31.949 1266 HE1 HIS 154 HE1 HIS 154 -15.865 4.193 29.429 1267 HE2 HIS 154 HE2 HIS 154 -17.789 5.071 30.782 1268 HB2 HIS 154 2HB HIS 154 -13.315 7.607 31.437 1269 HB3 HIS 154 3HB HIS 154 -14.382 7.842 32.815 1270 H HIS 155 H HIS 155 -12.386 10.196 30.410 1271 HA HIS 155 HA HIS 155 -11.845 11.763 32.860 1272 HD1 HIS 155 HD1 HIS 155 -10.342 7.984 31.427 1273 HD2 HIS 155 HD2 HIS 155 -10.297 10.215 34.931 1274 HE1 HIS 155 HE1 HIS 155 -10.552 6.316 33.286 1275 HE2 HIS 155 HE2 HIS 155 -10.748 7.707 35.370 1276 HB2 HIS 155 2HB HIS 155 -9.860 10.413 31.016 1277 HB3 HIS 155 3HB HIS 155 -9.443 11.394 32.419 Start of MODEL 10 1 HA MET 1 HA MET 1 -4.406 38.693 -11.592 2 H1 MET 1 1H MET 1 -5.519 39.571 -9.599 3 H2 MET 1 2H MET 1 -5.365 38.057 -8.863 4 H3 MET 1 3H MET 1 -6.300 38.224 -10.260 5 HB2 MET 1 2HB MET 1 -2.828 38.482 -9.015 6 HB3 MET 1 3HB MET 1 -2.135 38.693 -10.619 7 HG2 MET 1 2HG MET 1 -3.875 40.649 -9.128 8 HG3 MET 1 3HG MET 1 -2.153 40.798 -9.465 9 HE1 MET 1 3HE MET 1 -2.580 43.252 -10.447 10 HE2 MET 1 1HE MET 1 -4.307 43.081 -10.111 11 HE3 MET 1 2HE MET 1 -3.763 43.598 -11.706 12 H GLY 2 H GLY 2 -4.825 36.782 -12.613 13 HA2 GLY 2 2HA GLY 2 -4.655 34.564 -13.181 14 HA3 GLY 2 3HA GLY 2 -3.158 34.579 -12.267 15 H PHE 3 H PHE 3 -6.596 33.869 -12.147 16 HA PHE 3 HA PHE 3 -6.585 33.021 -9.401 17 HD1 PHE 3 HD1 PHE 3 -8.247 34.990 -12.240 18 HD2 PHE 3 HD2 PHE 3 -9.587 33.858 -8.363 19 HE1 PHE 3 HE1 PHE 3 -9.071 37.277 -11.865 20 HE2 PHE 3 HE2 PHE 3 -10.410 36.146 -7.978 21 HZ PHE 3 HZ PHE 3 -10.154 37.854 -9.730 22 HB2 PHE 3 2HB PHE 3 -8.628 32.592 -11.589 23 HB3 PHE 3 3HB PHE 3 -8.878 32.203 -9.891 24 H LYS 4 H LYS 4 -5.207 31.310 -9.000 25 HA LYS 4 HA LYS 4 -5.962 28.765 -10.278 26 HB2 LYS 4 2HB LYS 4 -3.742 28.036 -10.555 27 HB3 LYS 4 3HB LYS 4 -3.757 29.683 -11.161 28 HG2 LYS 4 2HG LYS 4 -2.776 28.885 -8.420 29 HG3 LYS 4 3HG LYS 4 -1.742 29.094 -9.831 30 HD2 LYS 4 2HD LYS 4 -2.517 31.454 -9.983 31 HD3 LYS 4 3HD LYS 4 -3.422 31.217 -8.487 32 HE2 LYS 4 2HE LYS 4 -1.315 30.654 -7.327 33 HE3 LYS 4 3HE LYS 4 -0.429 30.945 -8.823 34 HZ1 LYS 4 3HZ LYS 4 -1.964 32.943 -7.251 35 HZ2 LYS 4 1HZ LYS 4 -1.261 33.252 -8.761 36 HZ3 LYS 4 2HZ LYS 4 -0.286 32.865 -7.437 37 H LEU 5 H LEU 5 -5.470 26.849 -9.002 38 HA LEU 5 HA LEU 5 -5.863 27.381 -6.140 39 HG LEU 5 HG LEU 5 -8.711 25.148 -7.111 40 HB2 LEU 5 2HB LEU 5 -6.300 24.855 -7.748 41 HB3 LEU 5 3HB LEU 5 -6.605 25.014 -6.029 42 HD11 LEU 5 1HD1 LEU 5 -8.431 26.740 -5.294 43 HD12 LEU 5 2HD1 LEU 5 -9.523 27.368 -6.527 44 HD13 LEU 5 3HD1 LEU 5 -7.864 27.962 -6.433 45 HD21 LEU 5 3HD2 LEU 5 -7.547 27.261 -8.929 46 HD22 LEU 5 1HD2 LEU 5 -9.232 26.735 -8.904 47 HD23 LEU 5 2HD2 LEU 5 -7.963 25.607 -9.380 48 H ARG 6 H ARG 6 -4.993 25.402 -4.755 49 HA ARG 6 HA ARG 6 -2.111 25.489 -5.054 50 HE ARG 6 HE ARG 6 -6.076 23.130 -1.165 51 HB2 ARG 6 2HB ARG 6 -2.074 24.391 -2.848 52 HB3 ARG 6 3HB ARG 6 -3.064 25.843 -2.857 53 HG2 ARG 6 2HG ARG 6 -5.085 24.434 -3.055 54 HG3 ARG 6 3HG ARG 6 -4.063 22.997 -2.954 55 HD2 ARG 6 2HD ARG 6 -3.279 23.744 -0.738 56 HD3 ARG 6 3HD ARG 6 -4.350 25.140 -0.846 57 HH11 ARG 6 1HH1 ARG 6 -3.528 23.531 1.103 58 HH12 ARG 6 2HH1 ARG 6 -4.370 22.713 2.368 59 HH21 ARG 6 1HH2 ARG 6 -7.133 22.035 0.439 60 HH22 ARG 6 2HH2 ARG 6 -6.387 21.847 1.989 61 H GLY 7 H GLY 7 -4.653 23.043 -5.307 62 HA2 GLY 7 2HA GLY 7 -4.571 21.037 -6.481 63 HA3 GLY 7 3HA GLY 7 -2.857 21.292 -6.759 64 H GLN 8 H GLN 8 -4.525 21.192 -3.628 65 HA GLN 8 HA GLN 8 -2.889 18.845 -2.900 66 HB2 GLN 8 2HB GLN 8 -4.040 21.078 -1.236 67 HB3 GLN 8 3HB GLN 8 -3.514 19.574 -0.504 68 HG2 GLN 8 2HG GLN 8 -1.253 19.938 -1.378 69 HG3 GLN 8 3HG GLN 8 -1.782 21.458 -2.096 70 HE21 GLN 8 1HE2 GLN 8 -1.214 19.770 0.905 71 HE22 GLN 8 2HE2 GLN 8 -1.085 21.178 1.901 72 H VAL 9 H VAL 9 -4.024 17.001 -3.113 73 HA VAL 9 HA VAL 9 -6.872 16.863 -2.634 74 HB VAL 9 HB VAL 9 -5.768 15.420 -4.323 75 HG11 VAL 9 1HG1 VAL 9 -4.472 13.464 -3.628 76 HG12 VAL 9 2HG1 VAL 9 -4.561 13.991 -1.947 77 HG13 VAL 9 3HG1 VAL 9 -3.682 14.961 -3.130 78 HG21 VAL 9 3HG2 VAL 9 -6.963 13.351 -3.780 79 HG22 VAL 9 1HG2 VAL 9 -7.938 14.771 -3.405 80 HG23 VAL 9 2HG2 VAL 9 -7.137 13.883 -2.106 81 H SER 10 H SER 10 -3.966 16.329 -0.810 82 HA SER 10 HA SER 10 -5.566 15.775 1.596 83 HG SER 10 HG SER 10 -5.795 13.685 0.654 84 HB2 SER 10 2HB SER 10 -3.070 14.235 0.808 85 HB3 SER 10 3HB SER 10 -3.937 14.067 2.335 86 H GLU 11 H GLU 11 -4.421 16.315 3.607 87 HA GLU 11 HA GLU 11 -2.015 17.925 3.366 88 HB2 GLU 11 2HB GLU 11 -3.029 19.931 4.379 89 HB3 GLU 11 3HB GLU 11 -3.719 19.559 2.805 90 HG2 GLU 11 2HG GLU 11 -5.687 18.596 3.869 91 HG3 GLU 11 3HG GLU 11 -4.988 18.902 5.460 92 H LEU 12 H LEU 12 -1.045 18.456 5.385 93 HA LEU 12 HA LEU 12 -2.086 17.156 7.764 94 HG LEU 12 HG LEU 12 -0.257 16.100 4.916 95 HB2 LEU 12 2HB LEU 12 0.324 16.005 7.884 96 HB3 LEU 12 3HB LEU 12 -1.063 15.230 7.147 97 HD11 LEU 12 1HD1 LEU 12 2.255 16.717 6.470 98 HD12 LEU 12 2HD1 LEU 12 1.188 17.892 5.700 99 HD13 LEU 12 3HD1 LEU 12 2.090 16.744 4.713 100 HD21 LEU 12 3HD2 LEU 12 1.460 14.366 4.659 101 HD22 LEU 12 1HD2 LEU 12 0.061 13.780 5.560 102 HD23 LEU 12 2HD2 LEU 12 1.548 14.199 6.413 103 HA PRO 13 HA PRO 13 -0.147 20.518 9.726 104 HB2 PRO 13 2HB PRO 13 0.055 19.680 12.271 105 HB3 PRO 13 3HB PRO 13 -1.512 19.886 11.481 106 HG2 PRO 13 2HG PRO 13 0.061 17.370 11.928 107 HG3 PRO 13 3HG PRO 13 -1.671 17.662 12.174 108 HD2 PRO 13 2HD PRO 13 -0.651 16.453 9.940 109 HD3 PRO 13 3HD PRO 13 -2.162 17.383 9.944 110 H PHE 14 H PHE 14 1.883 18.777 8.414 111 HA PHE 14 HA PHE 14 4.153 19.912 9.799 112 HD1 PHE 14 HD2 PHE 14 4.791 16.124 7.804 113 HD2 PHE 14 HD1 PHE 14 2.317 16.611 11.238 114 HE1 PHE 14 HE2 PHE 14 3.604 14.045 7.244 115 HE2 PHE 14 HE1 PHE 14 1.133 14.531 10.681 116 HZ PHE 14 HZ PHE 14 1.773 13.243 8.684 117 HB2 PHE 14 2HB PHE 14 5.406 17.653 9.645 118 HB3 PHE 14 3HB PHE 14 4.301 17.918 10.985 119 H GLU 15 H GLU 15 5.888 20.374 8.483 120 HA GLU 15 HA GLU 15 5.248 20.289 5.628 121 HB2 GLU 15 2HB GLU 15 6.888 22.076 5.400 122 HB3 GLU 15 3HB GLU 15 5.748 22.449 6.690 123 HG2 GLU 15 2HG GLU 15 7.388 21.737 8.359 124 HG3 GLU 15 3HG GLU 15 8.529 21.344 7.076 125 H ARG 16 H ARG 16 7.313 18.560 7.705 126 HA ARG 16 HA ARG 16 8.902 17.584 5.456 127 HE ARG 16 HE ARG 16 11.049 20.179 10.579 128 HB2 ARG 16 2HB ARG 16 11.049 17.965 6.707 129 HB3 ARG 16 3HB ARG 16 10.257 19.437 6.155 130 HG2 ARG 16 2HG ARG 16 9.255 19.632 8.459 131 HG3 ARG 16 3HG ARG 16 10.330 18.324 8.950 132 HD2 ARG 16 2HD ARG 16 12.271 19.653 8.422 133 HD3 ARG 16 3HD ARG 16 11.259 20.929 7.738 134 HH11 ARG 16 1HH1 ARG 16 11.595 22.573 8.150 135 HH12 ARG 16 2HH1 ARG 16 11.500 23.880 9.276 136 HH21 ARG 16 1HH2 ARG 16 10.913 21.853 11.993 137 HH22 ARG 16 2HH2 ARG 16 11.116 23.476 11.436 138 H VAL 17 H VAL 17 9.456 15.479 5.640 139 HA VAL 17 HA VAL 17 9.170 14.139 8.249 140 HB VAL 17 HB VAL 17 7.923 12.272 7.161 141 HG11 VAL 17 1HG1 VAL 17 6.728 13.944 8.472 142 HG12 VAL 17 2HG1 VAL 17 5.746 13.392 7.117 143 HG13 VAL 17 3HG1 VAL 17 6.551 14.960 7.040 144 HG21 VAL 17 3HG2 VAL 17 8.576 12.684 4.842 145 HG22 VAL 17 1HG2 VAL 17 7.672 14.200 4.844 146 HG23 VAL 17 2HG2 VAL 17 6.820 12.664 5.000 147 H TYR 18 H TYR 18 9.980 11.891 8.224 148 HA TYR 18 HA TYR 18 12.108 11.441 6.222 149 HD1 TYR 18 HD1 TYR 18 14.920 11.186 6.772 150 HD2 TYR 18 HD2 TYR 18 12.788 8.587 9.390 151 HE1 TYR 18 HE1 TYR 18 16.673 9.481 6.506 152 HE2 TYR 18 HE2 TYR 18 14.532 6.878 9.130 153 HH TYR 18 HH TYR 18 16.287 6.294 7.347 154 HB2 TYR 18 2HB TYR 18 13.128 12.027 8.340 155 HB3 TYR 18 3HB TYR 18 12.126 10.865 9.195 156 H ILE 19 H ILE 19 12.242 9.405 5.325 157 HA ILE 19 HA ILE 19 10.152 7.475 6.127 158 HB ILE 19 HB ILE 19 9.865 8.354 3.849 159 HG12 ILE 19 2HG1 ILE 19 10.720 5.441 3.923 160 HG13 ILE 19 3HG1 ILE 19 9.124 6.061 4.330 161 HG21 ILE 19 1HG2 ILE 19 12.567 7.130 3.263 162 HG22 ILE 19 2HG2 ILE 19 12.209 8.856 3.345 163 HG23 ILE 19 3HG2 ILE 19 11.481 7.865 2.082 164 HD11 ILE 19 3HD1 ILE 19 10.425 6.141 1.615 165 HD12 ILE 19 1HD1 ILE 19 8.837 6.804 2.010 166 HD13 ILE 19 2HD1 ILE 19 9.123 5.068 2.130 167 H THR 20 H THR 20 10.656 5.263 6.297 168 HA THR 20 HA THR 20 13.376 4.359 5.774 169 HB THR 20 HB THR 20 13.731 5.134 7.995 170 HG1 THR 20 HG1 THR 20 13.717 2.867 9.114 171 HG21 THR 20 3HG2 THR 20 11.242 3.619 8.802 172 HG22 THR 20 1HG2 THR 20 11.411 5.373 8.719 173 HG23 THR 20 2HG2 THR 20 12.339 4.450 9.904 174 H ALA 21 H ALA 21 13.596 2.133 5.568 175 HA ALA 21 HA ALA 21 11.220 0.447 5.920 176 HB1 ALA 21 3HB ALA 21 11.421 -0.467 3.649 177 HB2 ALA 21 1HB ALA 21 12.711 0.686 3.299 178 HB3 ALA 21 2HB ALA 21 11.075 1.262 3.621 179 HA PRO 22 HA PRO 22 14.274 -2.292 7.572 180 HB2 PRO 22 2HB PRO 22 12.920 -4.664 7.417 181 HB3 PRO 22 3HB PRO 22 12.568 -3.414 8.618 182 HG2 PRO 22 2HG PRO 22 11.182 -3.979 6.016 183 HG3 PRO 22 3HG PRO 22 10.476 -3.625 7.606 184 HD2 PRO 22 2HD PRO 22 10.670 -1.736 5.697 185 HD3 PRO 22 3HD PRO 22 10.871 -1.347 7.417 186 H ALA 23 H ALA 23 12.680 -3.583 4.632 187 HA ALA 23 HA ALA 23 15.271 -4.759 3.827 188 HB1 ALA 23 3HB ALA 23 13.579 -6.449 4.350 189 HB2 ALA 23 1HB ALA 23 14.008 -6.484 2.640 190 HB3 ALA 23 2HB ALA 23 12.492 -5.742 3.155 191 H GLY 24 H GLY 24 13.797 -2.071 3.175 192 HA2 GLY 24 2HA GLY 24 13.581 -0.664 1.364 193 HA3 GLY 24 3HA GLY 24 14.790 -1.676 0.591 194 H LEU 25 H LEU 25 11.306 -1.380 1.192 195 HA LEU 25 HA LEU 25 10.743 -3.317 -0.937 196 HG LEU 25 HG LEU 25 10.171 -4.709 1.175 197 HB2 LEU 25 2HB LEU 25 8.832 -2.009 1.009 198 HB3 LEU 25 3HB LEU 25 8.441 -3.298 -0.111 199 HD11 LEU 25 1HD1 LEU 25 9.761 -2.500 3.190 200 HD12 LEU 25 2HD1 LEU 25 11.276 -2.931 2.393 201 HD13 LEU 25 3HD1 LEU 25 10.521 -4.059 3.518 202 HD21 LEU 25 3HD2 LEU 25 7.631 -3.850 2.562 203 HD22 LEU 25 1HD2 LEU 25 8.530 -5.335 2.875 204 HD23 LEU 25 2HD2 LEU 25 7.763 -5.083 1.307 205 H THR 26 H THR 26 9.194 -2.854 -2.611 206 HA THR 26 HA THR 26 9.488 -0.493 -4.024 207 HB THR 26 HB THR 26 7.424 -1.093 -5.265 208 HG1 THR 26 HG1 THR 26 6.000 -2.480 -4.448 209 HG21 THR 26 3HG2 THR 26 9.178 -3.477 -4.637 210 HG22 THR 26 1HG2 THR 26 9.537 -2.222 -5.824 211 HG23 THR 26 2HG2 THR 26 8.156 -3.292 -6.062 212 H ILE 27 H ILE 27 6.880 -1.345 -1.775 213 HA ILE 27 HA ILE 27 5.169 0.760 -1.971 214 HB ILE 27 HB ILE 27 4.855 -1.167 -0.459 215 HG12 ILE 27 2HG1 ILE 27 3.830 0.113 1.466 216 HG13 ILE 27 3HG1 ILE 27 4.567 1.573 0.814 217 HG21 ILE 27 1HG2 ILE 27 7.082 -1.281 0.510 218 HG22 ILE 27 2HG2 ILE 27 5.861 -1.177 1.777 219 HG23 ILE 27 3HG2 ILE 27 6.814 0.246 1.356 220 HD11 ILE 27 3HD1 ILE 27 2.240 1.412 0.173 221 HD12 ILE 27 1HD1 ILE 27 2.529 -0.158 -0.574 222 HD13 ILE 27 2HD1 ILE 27 3.276 1.292 -1.249 223 H GLY 28 H GLY 28 8.337 0.825 -0.398 224 HA2 GLY 28 2HA GLY 28 8.029 3.396 0.829 225 HA3 GLY 28 3HA GLY 28 9.539 2.536 0.584 226 H SER 29 H SER 29 9.338 2.293 -2.262 227 HA SER 29 HA SER 29 10.517 4.721 -3.085 228 HG SER 29 HG SER 29 9.907 3.607 -6.424 229 HB2 SER 29 2HB SER 29 11.009 2.620 -4.232 230 HB3 SER 29 3HB SER 29 9.333 2.483 -4.759 231 H ASP 30 H ASP 30 7.328 3.346 -3.935 232 HA ASP 30 HA ASP 30 6.318 5.621 -5.233 233 HB2 ASP 30 2HB ASP 30 4.828 3.469 -3.705 234 HB3 ASP 30 3HB ASP 30 4.098 4.596 -4.844 235 H LEU 31 H LEU 31 6.283 4.687 -1.820 236 HA LEU 31 HA LEU 31 4.460 6.503 -0.792 237 HG LEU 31 HG LEU 31 5.876 7.278 1.882 238 HB2 LEU 31 2HB LEU 31 5.497 4.634 0.455 239 HB3 LEU 31 3HB LEU 31 7.000 5.535 0.529 240 HD11 LEU 31 1HD1 LEU 31 3.652 6.868 2.801 241 HD12 LEU 31 2HD1 LEU 31 3.502 5.411 1.818 242 HD13 LEU 31 3HD1 LEU 31 3.599 6.993 1.043 243 HD21 LEU 31 3HD2 LEU 31 7.070 5.436 2.977 244 HD22 LEU 31 1HD2 LEU 31 5.585 4.483 2.996 245 HD23 LEU 31 2HD2 LEU 31 5.693 5.971 3.935 246 H GLU 32 H GLU 32 8.012 6.990 -1.089 247 HA GLU 32 HA GLU 32 8.239 9.532 -0.032 248 HB2 GLU 32 2HB GLU 32 9.693 8.411 -2.443 249 HB3 GLU 32 3HB GLU 32 10.161 9.881 -1.603 250 HG2 GLU 32 2HG GLU 32 10.497 8.515 0.457 251 HG3 GLU 32 3HG GLU 32 10.185 7.073 -0.511 252 H ARG 33 H ARG 33 7.242 8.642 -3.302 253 HA ARG 33 HA ARG 33 7.245 11.367 -4.250 254 HE ARG 33 HE ARG 33 8.174 9.972 -8.545 255 HB2 ARG 33 2HB ARG 33 5.957 9.044 -5.679 256 HB3 ARG 33 3HB ARG 33 6.710 10.482 -6.366 257 HG2 ARG 33 2HG ARG 33 8.909 9.652 -5.529 258 HG3 ARG 33 3HG ARG 33 8.103 8.168 -5.021 259 HD2 ARG 33 2HD ARG 33 8.932 7.566 -7.092 260 HD3 ARG 33 3HD ARG 33 7.299 8.090 -7.501 261 HH11 ARG 33 1HH1 ARG 33 10.698 8.176 -7.002 262 HH12 ARG 33 2HH1 ARG 33 11.947 8.988 -7.880 263 HH21 ARG 33 1HH2 ARG 33 9.796 10.975 -9.656 264 HH22 ARG 33 2HH2 ARG 33 11.445 10.548 -9.350 265 H VAL 34 H VAL 34 4.704 8.945 -3.557 266 HA VAL 34 HA VAL 34 2.488 10.489 -4.263 267 HB VAL 34 HB VAL 34 2.692 8.337 -2.144 268 HG11 VAL 34 1HG1 VAL 34 0.222 9.517 -3.434 269 HG12 VAL 34 2HG1 VAL 34 0.706 9.703 -1.749 270 HG13 VAL 34 3HG1 VAL 34 0.250 8.115 -2.363 271 HG21 VAL 34 3HG2 VAL 34 1.808 8.234 -5.034 272 HG22 VAL 34 1HG2 VAL 34 1.752 6.887 -3.896 273 HG23 VAL 34 2HG2 VAL 34 3.304 7.574 -4.374 274 H ILE 35 H ILE 35 4.053 10.202 -1.054 275 HA ILE 35 HA ILE 35 2.363 11.977 0.330 276 HB ILE 35 HB ILE 35 5.310 11.453 0.806 277 HG12 ILE 35 2HG1 ILE 35 3.929 9.411 0.901 278 HG13 ILE 35 3HG1 ILE 35 4.558 9.834 2.488 279 HG21 ILE 35 1HG2 ILE 35 3.242 12.671 2.645 280 HG22 ILE 35 2HG2 ILE 35 4.607 13.508 1.904 281 HG23 ILE 35 3HG2 ILE 35 4.894 12.243 3.099 282 HD11 ILE 35 3HD1 ILE 35 1.761 10.343 1.499 283 HD12 ILE 35 1HD1 ILE 35 2.384 10.775 3.092 284 HD13 ILE 35 2HD1 ILE 35 2.261 9.080 2.622 285 H SER 36 H SER 36 5.582 12.662 -1.079 286 HA SER 36 HA SER 36 5.656 15.389 -0.518 287 HG SER 36 HG SER 36 8.233 16.092 -1.787 288 HB2 SER 36 2HB SER 36 7.642 14.163 -1.199 289 HB3 SER 36 3HB SER 36 6.960 13.891 -2.802 290 H THR 37 H THR 37 4.254 13.767 -3.340 291 HA THR 37 HA THR 37 3.927 16.206 -4.838 292 HB THR 37 HB THR 37 2.664 14.823 -6.460 293 HG1 THR 37 HG1 THR 37 3.282 12.482 -5.061 294 HG21 THR 37 3HG2 THR 37 5.101 14.924 -6.651 295 HG22 THR 37 1HG2 THR 37 4.517 13.321 -7.100 296 HG23 THR 37 2HG2 THR 37 5.262 13.578 -5.522 297 H HIS 38 H HIS 38 1.792 14.256 -2.784 298 HA HIS 38 HA HIS 38 -0.505 15.862 -3.680 299 HD1 HIS 38 HD1 HIS 38 -2.113 14.485 -5.333 300 HD2 HIS 38 HD2 HIS 38 0.385 11.442 -3.997 301 HE1 HIS 38 HE1 HIS 38 -1.791 12.965 -7.303 302 HE2 HIS 38 HE2 HIS 38 -0.423 11.053 -6.423 303 HB2 HIS 38 2HB HIS 38 -0.433 13.259 -2.144 304 HB3 HIS 38 3HB HIS 38 -1.899 14.117 -2.608 305 H THR 39 H THR 39 1.478 15.439 -0.845 306 HA THR 39 HA THR 39 -0.553 16.765 0.839 307 HB THR 39 HB THR 39 0.655 16.114 2.771 308 HG1 THR 39 HG1 THR 39 2.802 15.122 1.198 309 HG21 THR 39 3HG2 THR 39 -0.560 14.269 1.720 310 HG22 THR 39 1HG2 THR 39 0.881 13.691 2.557 311 HG23 THR 39 2HG2 THR 39 0.882 13.839 0.799 312 H ARG 40 H ARG 40 1.040 17.998 2.713 313 HA ARG 40 HA ARG 40 2.276 20.194 1.192 314 HE ARG 40 HE ARG 40 2.551 24.448 2.319 315 HB2 ARG 40 2HB ARG 40 0.369 20.548 2.900 316 HB3 ARG 40 3HB ARG 40 1.581 20.225 4.131 317 HG2 ARG 40 2HG ARG 40 1.352 22.593 3.891 318 HG3 ARG 40 3HG ARG 40 2.921 22.122 3.229 319 HD2 ARG 40 2HD ARG 40 2.010 22.215 0.966 320 HD3 ARG 40 3HD ARG 40 0.417 22.618 1.608 321 HH11 ARG 40 1HH1 ARG 40 -0.068 23.748 0.184 322 HH12 ARG 40 2HH1 ARG 40 -0.162 25.370 -0.401 323 HH21 ARG 40 1HH2 ARG 40 2.416 26.516 1.557 324 HH22 ARG 40 2HH2 ARG 40 1.245 26.910 0.342 325 H ALA 41 H ALA 41 3.261 17.414 2.524 326 HA ALA 41 HA ALA 41 5.511 18.451 4.087 327 HB1 ALA 41 3HB ALA 41 4.601 15.599 3.700 328 HB2 ALA 41 1HB ALA 41 4.140 16.648 5.042 329 HB3 ALA 41 2HB ALA 41 5.823 16.164 4.839 330 H LYS 42 H LYS 42 7.654 17.910 3.685 331 HA LYS 42 HA LYS 42 8.278 16.796 1.021 332 HB2 LYS 42 2HB LYS 42 8.754 19.224 1.191 333 HB3 LYS 42 3HB LYS 42 9.806 18.923 2.564 334 HG2 LYS 42 2HG LYS 42 10.377 17.585 -0.056 335 HG3 LYS 42 3HG LYS 42 10.804 19.279 0.173 336 HD2 LYS 42 2HD LYS 42 12.153 18.669 2.135 337 HD3 LYS 42 3HD LYS 42 11.728 16.975 1.898 338 HE2 LYS 42 2HE LYS 42 13.214 18.679 -0.106 339 HE3 LYS 42 3HE LYS 42 13.973 17.556 1.020 340 HZ1 LYS 42 3HZ LYS 42 12.735 15.747 -0.021 341 HZ2 LYS 42 1HZ LYS 42 13.709 16.551 -1.147 342 HZ3 LYS 42 2HZ LYS 42 12.043 16.831 -1.119 343 H VAL 43 H VAL 43 9.562 15.035 1.000 344 HA VAL 43 HA VAL 43 10.358 13.838 3.498 345 HB VAL 43 HB VAL 43 10.907 12.887 0.673 346 HG11 VAL 43 1HG1 VAL 43 11.259 10.687 1.695 347 HG12 VAL 43 2HG1 VAL 43 11.002 11.380 3.296 348 HG13 VAL 43 3HG1 VAL 43 12.399 11.870 2.338 349 HG21 VAL 43 3HG2 VAL 43 8.665 12.135 2.559 350 HG22 VAL 43 1HG2 VAL 43 8.971 11.416 0.978 351 HG23 VAL 43 2HG2 VAL 43 8.507 13.113 1.100 352 H VAL 44 H VAL 44 12.250 14.121 4.501 353 HA VAL 44 HA VAL 44 14.528 15.223 2.997 354 HB VAL 44 HB VAL 44 15.431 15.959 5.159 355 HG11 VAL 44 1HG1 VAL 44 14.008 17.483 3.889 356 HG12 VAL 44 2HG1 VAL 44 13.799 17.727 5.623 357 HG13 VAL 44 3HG1 VAL 44 12.578 16.848 4.704 358 HG21 VAL 44 3HG2 VAL 44 14.484 14.217 6.593 359 HG22 VAL 44 1HG2 VAL 44 12.865 14.877 6.341 360 HG23 VAL 44 2HG2 VAL 44 14.083 15.822 7.198 361 H ASN 45 H ASN 45 16.729 14.502 3.713 362 HA ASN 45 HA ASN 45 16.710 11.574 3.808 363 HB2 ASN 45 2HB ASN 45 17.883 12.814 1.974 364 HB3 ASN 45 3HB ASN 45 19.009 13.438 3.173 365 HD21 ASN 45 1HD2 ASN 45 20.743 12.461 2.140 366 HD22 ASN 45 2HD2 ASN 45 21.026 10.760 2.237 367 H LYS 46 H LYS 46 16.493 13.447 6.247 368 HA LYS 46 HA LYS 46 18.104 11.730 7.918 369 HB2 LYS 46 2HB LYS 46 19.408 13.361 9.043 370 HB3 LYS 46 3HB LYS 46 19.653 13.641 7.328 371 HG2 LYS 46 2HG LYS 46 17.711 15.224 9.004 372 HG3 LYS 46 3HG LYS 46 19.393 15.690 8.757 373 HD2 LYS 46 2HD LYS 46 19.027 15.884 6.366 374 HD3 LYS 46 3HD LYS 46 17.375 15.283 6.541 375 HE2 LYS 46 2HE LYS 46 16.734 17.232 7.785 376 HE3 LYS 46 3HE LYS 46 18.402 17.796 7.865 377 HZ1 LYS 46 3HZ LYS 46 16.984 17.434 5.294 378 HZ2 LYS 46 1HZ LYS 46 18.398 18.310 5.595 379 HZ3 LYS 46 2HZ LYS 46 16.910 18.881 6.164 380 H ALA 47 H ALA 47 17.275 11.466 9.945 381 HA ALA 47 HA ALA 47 14.591 12.425 10.384 382 HB1 ALA 47 3HB ALA 47 16.351 10.683 12.114 383 HB2 ALA 47 1HB ALA 47 15.227 10.116 10.881 384 HB3 ALA 47 2HB ALA 47 14.618 10.933 12.320 385 H GLU 48 H GLU 48 17.764 13.240 11.580 386 HA GLU 48 HA GLU 48 17.066 14.289 14.092 387 HB2 GLU 48 2HB GLU 48 19.297 15.321 14.082 388 HB3 GLU 48 3HB GLU 48 19.333 13.639 13.583 389 HG2 GLU 48 2HG GLU 48 20.703 14.450 11.983 390 HG3 GLU 48 3HG GLU 48 19.178 14.792 11.167 391 H LYS 49 H LYS 49 16.414 15.611 11.033 392 HA LYS 49 HA LYS 49 15.448 18.033 12.367 393 HB2 LYS 49 2HB LYS 49 17.663 18.512 11.219 394 HB3 LYS 49 3HB LYS 49 16.849 18.198 9.692 395 HG2 LYS 49 2HG LYS 49 15.291 20.030 10.139 396 HG3 LYS 49 3HG LYS 49 16.094 20.338 11.680 397 HD2 LYS 49 2HD LYS 49 18.214 20.745 10.397 398 HD3 LYS 49 3HD LYS 49 17.267 20.636 8.912 399 HE2 LYS 49 2HE LYS 49 17.553 22.959 9.511 400 HE3 LYS 49 3HE LYS 49 15.858 22.509 9.713 401 HZ1 LYS 49 3HZ LYS 49 16.225 22.303 12.090 402 HZ2 LYS 49 1HZ LYS 49 16.682 23.843 11.567 403 HZ3 LYS 49 2HZ LYS 49 17.861 22.681 11.905 404 H SER 50 H SER 50 13.521 16.700 12.206 405 HA SER 50 HA SER 50 11.984 17.314 9.809 406 HG SER 50 HG SER 50 13.133 14.202 11.388 407 HB2 SER 50 2HB SER 50 11.216 15.016 9.458 408 HB3 SER 50 3HB SER 50 12.974 15.076 9.327 409 H GLU 51 H GLU 51 9.600 16.380 10.211 410 HA GLU 51 HA GLU 51 8.926 17.154 12.974 411 HB2 GLU 51 2HB GLU 51 7.109 17.034 10.555 412 HB3 GLU 51 3HB GLU 51 6.688 17.661 12.142 413 HG2 GLU 51 2HG GLU 51 8.689 18.825 10.214 414 HG3 GLU 51 3HG GLU 51 7.107 19.482 10.616 415 H ALA 52 H ALA 52 8.698 14.487 10.730 416 HA ALA 52 HA ALA 52 7.818 12.700 12.814 417 HB1 ALA 52 3HB ALA 52 5.666 13.663 12.109 418 HB2 ALA 52 1HB ALA 52 5.769 11.942 11.731 419 HB3 ALA 52 2HB ALA 52 5.980 13.141 10.453 420 H ILE 53 H ILE 53 7.800 10.435 12.127 421 HA ILE 53 HA ILE 53 9.390 9.937 9.680 422 HB ILE 53 HB ILE 53 9.608 8.563 12.369 423 HG12 ILE 53 2HG1 ILE 53 11.606 10.145 10.726 424 HG13 ILE 53 3HG1 ILE 53 10.838 10.674 12.218 425 HG21 ILE 53 1HG2 ILE 53 11.307 7.108 11.351 426 HG22 ILE 53 2HG2 ILE 53 10.959 7.812 9.771 427 HG23 ILE 53 3HG2 ILE 53 9.721 6.877 10.614 428 HD11 ILE 53 3HD1 ILE 53 11.969 8.844 13.412 429 HD12 ILE 53 1HD1 ILE 53 13.094 9.964 12.650 430 HD13 ILE 53 2HD1 ILE 53 12.780 8.395 11.911 431 H ILE 54 H ILE 54 8.471 8.600 8.244 432 HA ILE 54 HA ILE 54 6.230 6.893 9.091 433 HB ILE 54 HB ILE 54 7.145 7.579 6.280 434 HG12 ILE 54 2HG1 ILE 54 4.881 8.779 6.221 435 HG13 ILE 54 3HG1 ILE 54 4.847 8.609 7.971 436 HG21 ILE 54 1HG2 ILE 54 5.034 6.504 5.572 437 HG22 ILE 54 2HG2 ILE 54 4.745 6.011 7.240 438 HG23 ILE 54 3HG2 ILE 54 6.136 5.374 6.360 439 HD11 ILE 54 3HD1 ILE 54 6.864 9.947 8.150 440 HD12 ILE 54 1HD1 ILE 54 5.604 10.813 7.273 441 HD13 ILE 54 2HD1 ILE 54 6.948 10.081 6.393 442 H GLN 55 H GLN 55 6.869 4.926 9.748 443 HA GLN 55 HA GLN 55 9.103 3.601 8.342 444 HB2 GLN 55 2HB GLN 55 9.428 4.069 10.772 445 HB3 GLN 55 3HB GLN 55 8.049 3.045 11.130 446 HG2 GLN 55 2HG GLN 55 10.387 1.956 9.601 447 HG3 GLN 55 3HG GLN 55 10.458 2.107 11.353 448 HE21 GLN 55 1HE2 GLN 55 10.479 -0.276 9.628 449 HE22 GLN 55 2HE2 GLN 55 9.167 -1.252 10.176 450 H ILE 56 H ILE 56 8.380 2.207 6.865 451 HA ILE 56 HA ILE 56 5.837 0.839 7.216 452 HB ILE 56 HB ILE 56 6.473 1.758 5.006 453 HG12 ILE 56 2HG1 ILE 56 4.948 -0.313 5.325 454 HG13 ILE 56 3HG1 ILE 56 5.541 0.046 3.711 455 HG21 ILE 56 1HG2 ILE 56 8.157 0.650 3.617 456 HG22 ILE 56 2HG2 ILE 56 8.607 -0.373 4.983 457 HG23 ILE 56 3HG2 ILE 56 8.865 1.370 5.065 458 HD11 ILE 56 3HD1 ILE 56 6.654 -2.046 5.571 459 HD12 ILE 56 1HD1 ILE 56 7.238 -1.692 3.945 460 HD13 ILE 56 2HD1 ILE 56 5.613 -2.332 4.179 461 H VAL 57 H VAL 57 5.609 -1.158 8.040 462 HA VAL 57 HA VAL 57 7.968 -2.549 8.991 463 HB VAL 57 HB VAL 57 5.052 -3.291 9.327 464 HG11 VAL 57 1HG1 VAL 57 5.860 -4.672 11.207 465 HG12 VAL 57 2HG1 VAL 57 7.521 -4.270 10.771 466 HG13 VAL 57 3HG1 VAL 57 6.521 -5.202 9.659 467 HG21 VAL 57 3HG2 VAL 57 5.523 -1.105 10.296 468 HG22 VAL 57 1HG2 VAL 57 6.903 -1.768 11.172 469 HG23 VAL 57 2HG2 VAL 57 5.267 -2.297 11.571 470 H HIS 58 H HIS 58 5.060 -3.735 7.244 471 HA HIS 58 HA HIS 58 6.745 -5.203 5.379 472 HD1 HIS 58 HD1 HIS 58 7.869 -8.013 5.420 473 HD2 HIS 58 HD2 HIS 58 7.070 -6.694 9.279 474 HE1 HIS 58 HE1 HIS 58 9.854 -8.693 6.791 475 HE2 HIS 58 HE2 HIS 58 9.447 -7.684 9.052 476 HB2 HIS 58 2HB HIS 58 5.016 -6.583 7.424 477 HB3 HIS 58 3HB HIS 58 5.357 -7.345 5.877 478 H ALA 59 H ALA 59 5.776 -5.708 3.471 479 HA ALA 59 HA ALA 59 2.922 -5.003 3.131 480 HB1 ALA 59 3HB ALA 59 4.416 -3.505 1.895 481 HB2 ALA 59 1HB ALA 59 3.444 -4.485 0.797 482 HB3 ALA 59 2HB ALA 59 5.139 -4.889 1.075 483 H ILE 60 H ILE 60 1.730 -6.837 3.033 484 HA ILE 60 HA ILE 60 2.957 -9.268 1.861 485 HB ILE 60 HB ILE 60 0.755 -9.139 3.941 486 HG12 ILE 60 2HG1 ILE 60 2.620 -10.252 5.385 487 HG13 ILE 60 3HG1 ILE 60 3.733 -9.557 4.213 488 HG21 ILE 60 1HG2 ILE 60 2.286 -11.502 2.848 489 HG22 ILE 60 2HG2 ILE 60 0.596 -11.113 2.530 490 HG23 ILE 60 3HG2 ILE 60 1.106 -11.561 4.158 491 HD11 ILE 60 3HD1 ILE 60 1.770 -8.019 5.901 492 HD12 ILE 60 1HD1 ILE 60 2.905 -7.327 4.744 493 HD13 ILE 60 2HD1 ILE 60 3.506 -8.151 6.182 494 H ARG 61 H ARG 61 2.007 -10.078 0.054 495 HA ARG 61 HA ARG 61 -0.868 -9.509 -0.340 496 HE ARG 61 HE ARG 61 3.844 -9.454 -4.270 497 HB2 ARG 61 2HB ARG 61 -0.474 -9.805 -2.791 498 HB3 ARG 61 3HB ARG 61 0.290 -8.388 -2.092 499 HG2 ARG 61 2HG ARG 61 2.449 -9.427 -2.177 500 HG3 ARG 61 3HG ARG 61 1.739 -10.972 -2.657 501 HD2 ARG 61 2HD ARG 61 0.997 -10.032 -4.758 502 HD3 ARG 61 3HD ARG 61 1.539 -8.426 -4.274 503 HH11 ARG 61 1HH1 ARG 61 1.336 -10.730 -6.260 504 HH12 ARG 61 2HH1 ARG 61 2.421 -11.234 -7.502 505 HH21 ARG 61 1HH2 ARG 61 5.225 -10.093 -5.887 506 HH22 ARG 61 2HH2 ARG 61 4.592 -10.870 -7.296 507 H GLU 62 H GLU 62 -2.128 -11.193 -0.074 508 HA GLU 62 HA GLU 62 -1.056 -13.918 -0.381 509 HB2 GLU 62 2HB GLU 62 -3.616 -12.948 0.904 510 HB3 GLU 62 3HB GLU 62 -3.089 -14.621 0.846 511 HG2 GLU 62 2HG GLU 62 -1.239 -14.166 2.284 512 HG3 GLU 62 3HG GLU 62 -1.524 -12.427 2.191 513 H LYS 63 H LYS 63 -1.734 -15.253 -1.976 514 HA LYS 63 HA LYS 63 -3.898 -14.318 -3.752 515 HB2 LYS 63 2HB LYS 63 -1.717 -16.351 -4.301 516 HB3 LYS 63 3HB LYS 63 -2.906 -15.768 -5.461 517 HG2 LYS 63 2HG LYS 63 -1.974 -13.478 -5.189 518 HG3 LYS 63 3HG LYS 63 -0.718 -14.154 -4.151 519 HD2 LYS 63 2HD LYS 63 0.169 -13.886 -6.375 520 HD3 LYS 63 3HD LYS 63 -0.012 -15.612 -6.043 521 HE2 LYS 63 2HE LYS 63 -2.066 -15.677 -7.337 522 HE3 LYS 63 3HE LYS 63 -1.993 -13.932 -7.590 523 HZ1 LYS 63 3HZ LYS 63 -0.094 -15.961 -8.636 524 HZ2 LYS 63 1HZ LYS 63 0.129 -14.290 -8.770 525 HZ3 LYS 63 2HZ LYS 63 -1.186 -15.025 -9.531 526 H ARG 64 H ARG 64 -5.786 -15.163 -3.069 527 HA ARG 64 HA ARG 64 -5.884 -18.026 -2.288 528 HE ARG 64 HE ARG 64 -5.345 -15.353 2.342 529 HB2 ARG 64 2HB ARG 64 -7.806 -15.869 -1.402 530 HB3 ARG 64 3HB ARG 64 -7.675 -17.504 -0.779 531 HG2 ARG 64 2HG ARG 64 -5.556 -16.970 0.273 532 HG3 ARG 64 3HG ARG 64 -5.589 -15.348 -0.435 533 HD2 ARG 64 2HD ARG 64 -7.756 -14.957 0.740 534 HD3 ARG 64 3HD ARG 64 -7.548 -16.506 1.546 535 HH11 ARG 64 1HH1 ARG 64 -8.414 -13.875 1.874 536 HH12 ARG 64 2HH1 ARG 64 -8.207 -12.761 3.181 537 HH21 ARG 64 1HH2 ARG 64 -5.072 -13.898 4.021 538 HH22 ARG 64 2HH2 ARG 64 -6.341 -12.764 4.368 539 H ILE 65 H ILE 65 -8.030 -19.068 -2.617 540 HA ILE 65 HA ILE 65 -9.460 -18.157 -4.991 541 HB ILE 65 HB ILE 65 -9.470 -20.657 -3.347 542 HG12 ILE 65 2HG1 ILE 65 -8.093 -20.430 -5.407 543 HG13 ILE 65 3HG1 ILE 65 -9.274 -21.730 -5.524 544 HG21 ILE 65 1HG2 ILE 65 -11.828 -20.110 -3.360 545 HG22 ILE 65 2HG2 ILE 65 -11.521 -21.461 -4.449 546 HG23 ILE 65 3HG2 ILE 65 -11.787 -19.845 -5.104 547 HD11 ILE 65 3HD1 ILE 65 -10.735 -20.275 -6.849 548 HD12 ILE 65 1HD1 ILE 65 -9.153 -20.491 -7.599 549 HD13 ILE 65 2HD1 ILE 65 -9.528 -18.991 -6.751 550 H LEU 66 H LEU 66 -11.422 -17.158 -4.982 551 HA LEU 66 HA LEU 66 -12.544 -16.371 -2.400 552 HG LEU 66 HG LEU 66 -15.087 -15.048 -3.500 553 HB2 LEU 66 2HB LEU 66 -12.154 -14.676 -4.158 554 HB3 LEU 66 3HB LEU 66 -13.305 -15.503 -5.193 555 HD11 LEU 66 1HD1 LEU 66 -13.696 -14.810 -1.521 556 HD12 LEU 66 2HD1 LEU 66 -14.662 -13.357 -1.774 557 HD13 LEU 66 3HD1 LEU 66 -12.949 -13.363 -2.193 558 HD21 LEU 66 3HD2 LEU 66 -13.654 -12.620 -4.583 559 HD22 LEU 66 1HD2 LEU 66 -15.334 -12.674 -4.047 560 HD23 LEU 66 2HD2 LEU 66 -14.827 -13.610 -5.451 561 H SER 67 H SER 67 -13.473 -18.191 -5.296 562 HA SER 67 HA SER 67 -15.532 -19.580 -3.797 563 HG SER 67 HG SER 67 -18.029 -19.547 -4.779 564 HB2 SER 67 2HB SER 67 -16.859 -17.696 -4.492 565 HB3 SER 67 3HB SER 67 -16.255 -17.810 -6.145 566 H LEU 68 H LEU 68 -15.864 -21.614 -4.514 567 HA LEU 68 HA LEU 68 -14.842 -22.359 -7.191 568 HG LEU 68 HG LEU 68 -12.933 -22.565 -4.751 569 HB2 LEU 68 2HB LEU 68 -14.920 -24.012 -4.658 570 HB3 LEU 68 3HB LEU 68 -14.528 -24.661 -6.240 571 HD11 LEU 68 1HD1 LEU 68 -12.361 -25.480 -5.290 572 HD12 LEU 68 2HD1 LEU 68 -12.716 -24.748 -3.724 573 HD13 LEU 68 3HD1 LEU 68 -11.230 -24.330 -4.577 574 HD21 LEU 68 3HD2 LEU 68 -11.269 -22.858 -6.532 575 HD22 LEU 68 1HD2 LEU 68 -12.792 -22.233 -7.163 576 HD23 LEU 68 2HD2 LEU 68 -12.376 -23.932 -7.388 577 H SER 69 H SER 69 -16.127 -23.642 -8.496 578 HA SER 69 HA SER 69 -18.896 -24.086 -7.611 579 HG SER 69 HG SER 69 -17.754 -25.176 -11.128 580 HB2 SER 69 2HB SER 69 -19.394 -24.512 -9.996 581 HB3 SER 69 3HB SER 69 -18.616 -22.945 -9.776 582 H GLU 70 H GLU 70 -19.775 -26.214 -8.939 583 HA GLU 70 HA GLU 70 -19.035 -28.380 -7.407 584 HB2 GLU 70 2HB GLU 70 -20.215 -28.442 -10.192 585 HB3 GLU 70 3HB GLU 70 -20.222 -29.785 -9.058 586 HG2 GLU 70 2HG GLU 70 -21.605 -27.131 -8.683 587 HG3 GLU 70 3HG GLU 70 -22.376 -28.660 -9.103 588 H SER 71 H SER 71 -17.619 -30.042 -7.527 589 HA SER 71 HA SER 71 -15.808 -31.283 -8.088 590 HG SER 71 HG SER 71 -17.528 -32.064 -9.438 591 HB2 SER 71 2HB SER 71 -16.258 -30.195 -10.881 592 HB3 SER 71 3HB SER 71 -15.122 -31.480 -10.473 593 H GLY 72 H GLY 72 -15.658 -28.377 -7.311 594 HA2 GLY 72 2HA GLY 72 -13.914 -27.049 -6.622 595 HA3 GLY 72 3HA GLY 72 -12.821 -28.298 -7.185 596 H ARG 73 H ARG 73 -15.072 -26.800 -9.400 597 HA ARG 73 HA ARG 73 -12.930 -25.930 -11.094 598 HE ARG 73 HE ARG 73 -14.551 -29.072 -14.015 599 HB2 ARG 73 2HB ARG 73 -15.904 -25.893 -11.240 600 HB3 ARG 73 3HB ARG 73 -15.037 -24.757 -12.260 601 HG2 ARG 73 2HG ARG 73 -15.595 -26.868 -13.408 602 HG3 ARG 73 3HG ARG 73 -13.863 -26.541 -13.362 603 HD2 ARG 73 2HD ARG 73 -13.661 -28.084 -11.431 604 HD3 ARG 73 3HD ARG 73 -15.380 -28.454 -11.579 605 HH11 ARG 73 1HH1 ARG 73 -13.095 -29.818 -10.972 606 HH12 ARG 73 2HH1 ARG 73 -12.365 -31.265 -11.572 607 HH21 ARG 73 1HH2 ARG 73 -13.603 -30.929 -14.750 608 HH22 ARG 73 2HH2 ARG 73 -12.652 -31.888 -13.667 609 H VAL 74 H VAL 74 -11.908 -24.051 -11.148 610 HA VAL 74 HA VAL 74 -12.197 -22.107 -9.150 611 HB VAL 74 HB VAL 74 -10.783 -21.822 -11.815 612 HG11 VAL 74 1HG1 VAL 74 -11.078 -19.665 -10.731 613 HG12 VAL 74 2HG1 VAL 74 -9.387 -20.156 -10.638 614 HG13 VAL 74 3HG1 VAL 74 -10.429 -20.305 -9.224 615 HG21 VAL 74 3HG2 VAL 74 -10.028 -23.800 -10.578 616 HG22 VAL 74 1HG2 VAL 74 -9.719 -22.801 -9.158 617 HG23 VAL 74 2HG2 VAL 74 -8.773 -22.562 -10.628 618 H ARG 75 H ARG 75 -13.116 -20.099 -9.076 619 HA ARG 75 HA ARG 75 -14.695 -19.196 -11.407 620 HE ARG 75 HE ARG 75 -18.784 -19.430 -10.386 621 HB2 ARG 75 2HB ARG 75 -15.471 -18.985 -8.488 622 HB3 ARG 75 3HB ARG 75 -16.404 -18.356 -9.844 623 HG2 ARG 75 2HG ARG 75 -16.680 -20.671 -10.675 624 HG3 ARG 75 3HG ARG 75 -15.830 -21.255 -9.241 625 HD2 ARG 75 2HD ARG 75 -18.209 -21.439 -8.878 626 HD3 ARG 75 3HD ARG 75 -17.559 -20.183 -7.824 627 HH11 ARG 75 1HH1 ARG 75 -18.773 -19.310 -6.938 628 HH12 ARG 75 2HH1 ARG 75 -20.077 -18.178 -6.870 629 HH21 ARG 75 1HH2 ARG 75 -20.454 -17.984 -10.281 630 HH22 ARG 75 2HH2 ARG 75 -21.022 -17.439 -8.744 631 H GLU 76 H GLU 76 -14.197 -17.748 -8.222 632 HA GLU 76 HA GLU 76 -12.880 -15.430 -9.490 633 HB2 GLU 76 2HB GLU 76 -14.488 -15.500 -6.917 634 HB3 GLU 76 3HB GLU 76 -13.780 -14.071 -7.657 635 HG2 GLU 76 2HG GLU 76 -15.951 -15.763 -8.890 636 HG3 GLU 76 3HG GLU 76 -16.213 -14.257 -8.016 637 H PHE 77 H PHE 77 -10.951 -14.737 -8.671 638 HA PHE 77 HA PHE 77 -9.715 -16.379 -6.542 639 HD1 PHE 77 HD1 PHE 77 -7.913 -18.337 -7.712 640 HD2 PHE 77 HD2 PHE 77 -6.283 -14.421 -7.353 641 HE1 PHE 77 HE1 PHE 77 -5.856 -19.285 -6.758 642 HE2 PHE 77 HE2 PHE 77 -4.225 -15.366 -6.399 643 HZ PHE 77 HZ PHE 77 -4.006 -17.800 -6.100 644 HB2 PHE 77 2HB PHE 77 -8.832 -16.424 -8.965 645 HB3 PHE 77 3HB PHE 77 -8.247 -14.797 -8.657 646 H GLU 78 H GLU 78 -9.138 -15.342 -4.677 647 HA GLU 78 HA GLU 78 -9.635 -12.469 -4.515 648 HB2 GLU 78 2HB GLU 78 -10.693 -13.848 -2.823 649 HB3 GLU 78 3HB GLU 78 -9.142 -14.534 -2.355 650 HG2 GLU 78 2HG GLU 78 -8.399 -12.364 -1.536 651 HG3 GLU 78 3HG GLU 78 -9.911 -11.628 -2.063 652 H LEU 79 H LEU 79 -8.016 -11.114 -4.870 653 HA LEU 79 HA LEU 79 -5.295 -11.790 -3.966 654 HG LEU 79 HG LEU 79 -6.464 -11.645 -6.973 655 HB2 LEU 79 2HB LEU 79 -6.210 -9.533 -5.763 656 HB3 LEU 79 3HB LEU 79 -4.546 -9.932 -5.377 657 HD11 LEU 79 1HD1 LEU 79 -5.684 -9.692 -8.203 658 HD12 LEU 79 2HD1 LEU 79 -4.969 -11.167 -8.851 659 HD13 LEU 79 3HD1 LEU 79 -4.010 -10.100 -7.823 660 HD21 LEU 79 3HD2 LEU 79 -4.968 -13.050 -5.679 661 HD22 LEU 79 1HD2 LEU 79 -3.571 -12.126 -6.237 662 HD23 LEU 79 2HD2 LEU 79 -4.510 -13.089 -7.381 663 H VAL 80 H VAL 80 -5.318 -11.304 -1.791 664 HA VAL 80 HA VAL 80 -6.290 -8.651 -0.975 665 HB VAL 80 HB VAL 80 -7.309 -10.403 0.297 666 HG11 VAL 80 1HG1 VAL 80 -6.063 -12.003 1.641 667 HG12 VAL 80 2HG1 VAL 80 -4.542 -11.341 1.043 668 HG13 VAL 80 3HG1 VAL 80 -5.646 -12.159 -0.064 669 HG21 VAL 80 3HG2 VAL 80 -6.763 -8.363 1.527 670 HG22 VAL 80 1HG2 VAL 80 -5.198 -9.040 1.983 671 HG23 VAL 80 2HG2 VAL 80 -6.685 -9.773 2.584 672 H TYR 81 H TYR 81 -4.874 -7.090 -0.746 673 HA TYR 81 HA TYR 81 -2.070 -7.713 -0.078 674 HD1 TYR 81 HD2 TYR 81 0.054 -6.994 -0.837 675 HD2 TYR 81 HD1 TYR 81 -2.073 -3.359 -1.488 676 HE1 TYR 81 HE2 TYR 81 2.135 -5.722 -0.532 677 HE2 TYR 81 HE1 TYR 81 0.006 -2.086 -1.182 678 HH TYR 81 HH TYR 81 2.186 -2.380 -0.068 679 HB2 TYR 81 2HB TYR 81 -2.346 -6.658 -2.259 680 HB3 TYR 81 3HB TYR 81 -3.256 -5.337 -1.537 681 H ARG 82 H ARG 82 -1.406 -7.175 1.893 682 HA ARG 82 HA ARG 82 -2.907 -5.168 3.444 683 HE ARG 82 HE ARG 82 -3.566 -10.535 4.535 684 HB2 ARG 82 2HB ARG 82 -1.031 -7.254 4.565 685 HB3 ARG 82 3HB ARG 82 -2.209 -6.281 5.437 686 HG2 ARG 82 2HG ARG 82 -4.015 -7.492 4.224 687 HG3 ARG 82 3HG ARG 82 -2.773 -8.526 3.506 688 HD2 ARG 82 2HD ARG 82 -2.033 -9.015 5.899 689 HD3 ARG 82 3HD ARG 82 -3.550 -8.269 6.403 690 HH11 ARG 82 1HH1 ARG 82 -4.407 -9.188 7.591 691 HH12 ARG 82 2HH1 ARG 82 -5.411 -10.527 8.022 692 HH21 ARG 82 1HH2 ARG 82 -4.785 -12.253 5.109 693 HH22 ARG 82 2HH2 ARG 82 -5.624 -12.266 6.626 694 H VAL 83 H VAL 83 -1.868 -3.431 4.324 695 HA VAL 83 HA VAL 83 1.072 -3.287 4.034 696 HB VAL 83 HB VAL 83 -0.855 -0.952 3.991 697 HG11 VAL 83 1HG1 VAL 83 2.136 -1.082 3.554 698 HG12 VAL 83 2HG1 VAL 83 1.297 -0.328 4.911 699 HG13 VAL 83 3HG1 VAL 83 1.134 0.347 3.290 700 HG21 VAL 83 3HG2 VAL 83 -0.318 -0.748 1.611 701 HG22 VAL 83 1HG2 VAL 83 -1.074 -2.302 1.966 702 HG23 VAL 83 2HG2 VAL 83 0.667 -2.209 1.700 703 H ALA 84 H ALA 84 1.967 -3.578 5.987 704 HA ALA 84 HA ALA 84 0.676 -2.403 8.367 705 HB1 ALA 84 3HB ALA 84 2.026 -3.964 9.678 706 HB2 ALA 84 1HB ALA 84 2.792 -4.554 8.202 707 HB3 ALA 84 2HB ALA 84 1.068 -4.816 8.467 708 H ALA 85 H ALA 85 1.554 -0.633 9.261 709 HA ALA 85 HA ALA 85 4.424 -0.138 9.065 710 HB1 ALA 85 3HB ALA 85 4.173 2.075 8.107 711 HB2 ALA 85 1HB ALA 85 2.422 1.871 8.027 712 HB3 ALA 85 2HB ALA 85 3.474 0.868 7.028 713 H ARG 86 H ARG 86 4.816 2.211 10.097 714 HA ARG 86 HA ARG 86 3.044 2.709 12.379 715 HE ARG 86 HE ARG 86 7.192 0.178 12.934 716 HB2 ARG 86 2HB ARG 86 6.029 2.227 12.624 717 HB3 ARG 86 3HB ARG 86 5.013 2.860 13.911 718 HG2 ARG 86 2HG ARG 86 3.760 0.771 13.979 719 HG3 ARG 86 3HG ARG 86 4.718 0.138 12.640 720 HD2 ARG 86 2HD ARG 86 5.768 0.924 15.362 721 HD3 ARG 86 3HD ARG 86 5.532 -0.723 14.777 722 HH11 ARG 86 1HH1 ARG 86 7.318 0.655 16.349 723 HH12 ARG 86 2HH1 ARG 86 9.043 0.778 16.370 724 HH21 ARG 86 1HH2 ARG 86 9.393 0.339 12.984 725 HH22 ARG 86 2HH2 ARG 86 10.201 0.615 14.486 726 H LEU 87 H LEU 87 3.206 4.852 13.206 727 HA LEU 87 HA LEU 87 4.686 6.729 11.460 728 HG LEU 87 HG LEU 87 3.559 9.311 12.297 729 HB2 LEU 87 2HB LEU 87 2.143 6.789 11.414 730 HB3 LEU 87 3HB LEU 87 2.207 7.342 13.076 731 HD11 LEU 87 1HD1 LEU 87 3.489 9.866 9.904 732 HD12 LEU 87 2HD1 LEU 87 2.781 8.284 9.567 733 HD13 LEU 87 3HD1 LEU 87 4.417 8.399 10.218 734 HD21 LEU 87 3HD2 LEU 87 1.636 10.518 11.379 735 HD22 LEU 87 1HD2 LEU 87 1.178 9.508 12.750 736 HD23 LEU 87 2HD2 LEU 87 0.804 8.985 11.106 737 H LEU 88 H LEU 88 6.538 7.166 12.589 738 HA LEU 88 HA LEU 88 6.373 7.452 15.512 739 HG LEU 88 HG LEU 88 7.356 5.150 15.631 740 HB2 LEU 88 2HB LEU 88 8.767 7.015 13.717 741 HB3 LEU 88 3HB LEU 88 8.854 7.219 15.456 742 HD11 LEU 88 1HD1 LEU 88 7.436 3.599 13.734 743 HD12 LEU 88 2HD1 LEU 88 8.199 4.848 12.749 744 HD13 LEU 88 3HD1 LEU 88 6.553 5.074 13.341 745 HD21 LEU 88 3HD2 LEU 88 10.131 4.847 14.480 746 HD22 LEU 88 1HD2 LEU 88 9.250 3.621 15.392 747 HD23 LEU 88 2HD2 LEU 88 9.733 5.125 16.176 748 H ASP 89 H ASP 89 8.063 8.965 16.436 749 HA ASP 89 HA ASP 89 7.674 11.639 15.467 750 HB2 ASP 89 2HB ASP 89 7.670 11.238 17.850 751 HB3 ASP 89 3HB ASP 89 9.247 10.465 17.775 752 H ALA 90 H ALA 90 9.557 13.138 15.172 753 HA ALA 90 HA ALA 90 11.241 12.431 13.100 754 HB1 ALA 90 3HB ALA 90 12.459 14.483 13.560 755 HB2 ALA 90 1HB ALA 90 11.756 14.559 15.177 756 HB3 ALA 90 2HB ALA 90 10.725 14.738 13.758 757 H HIS 91 H HIS 91 11.698 11.766 16.475 758 HA HIS 91 HA HIS 91 14.547 11.132 16.066 759 HD1 HIS 91 HD1 HIS 91 12.043 13.746 18.092 760 HD2 HIS 91 HD2 HIS 91 16.173 13.461 17.739 761 HE1 HIS 91 HE1 HIS 91 12.862 16.106 17.845 762 HE2 HIS 91 HE2 HIS 91 15.345 15.898 17.508 763 HB2 HIS 91 2HB HIS 91 12.979 11.404 18.643 764 HB3 HIS 91 3HB HIS 91 14.722 11.173 18.508 765 H ASN 92 H ASN 92 12.121 9.465 15.284 766 HA ASN 92 HA ASN 92 11.597 7.269 15.086 767 HB2 ASN 92 2HB ASN 92 14.287 6.912 16.412 768 HB3 ASN 92 3HB ASN 92 13.302 5.557 15.873 769 HD21 ASN 92 1HD2 ASN 92 15.221 8.268 14.877 770 HD22 ASN 92 2HD2 ASN 92 15.353 7.815 13.217 771 H ALA 93 H ALA 93 11.015 8.864 17.621 772 HA ALA 93 HA ALA 93 10.584 6.786 19.603 773 HB1 ALA 93 3HB ALA 93 9.649 9.661 19.536 774 HB2 ALA 93 1HB ALA 93 11.116 9.067 20.316 775 HB3 ALA 93 2HB ALA 93 9.534 8.569 20.918 776 H GLU 94 H GLU 94 8.688 5.675 19.949 777 HA GLU 94 HA GLU 94 6.747 5.446 17.960 778 HB2 GLU 94 2HB GLU 94 5.374 4.265 19.702 779 HB3 GLU 94 3HB GLU 94 7.016 3.663 19.523 780 HG2 GLU 94 2HG GLU 94 7.702 4.878 21.519 781 HG3 GLU 94 3HG GLU 94 6.077 5.540 21.689 782 H LEU 95 H LEU 95 4.972 6.587 17.417 783 HA LEU 95 HA LEU 95 3.944 8.604 19.316 784 HG LEU 95 HG LEU 95 4.277 11.492 16.972 785 HB2 LEU 95 2HB LEU 95 5.478 9.443 17.393 786 HB3 LEU 95 3HB LEU 95 4.113 9.111 16.348 787 HD11 LEU 95 1HD1 LEU 95 2.087 10.585 16.421 788 HD12 LEU 95 2HD1 LEU 95 1.960 11.841 17.652 789 HD13 LEU 95 3HD1 LEU 95 1.832 10.142 18.109 790 HD21 LEU 95 3HD2 LEU 95 5.271 11.230 19.184 791 HD22 LEU 95 1HD2 LEU 95 3.770 10.526 19.787 792 HD23 LEU 95 2HD2 LEU 95 3.808 12.210 19.262 793 H ALA 96 H ALA 96 2.989 7.739 15.991 794 HA ALA 96 HA ALA 96 0.311 7.035 17.027 795 HB1 ALA 96 3HB ALA 96 -0.609 7.857 14.906 796 HB2 ALA 96 1HB ALA 96 1.015 8.288 14.366 797 HB3 ALA 96 2HB ALA 96 0.293 9.115 15.748 798 H SER 97 H SER 97 -0.290 4.968 16.738 799 HA SER 97 HA SER 97 1.229 3.155 15.147 800 HG SER 97 HG SER 97 -2.266 2.153 17.005 801 HB2 SER 97 2HB SER 97 -0.575 1.512 15.699 802 HB3 SER 97 3HB SER 97 0.097 2.317 17.116 803 H LEU 98 H LEU 98 1.234 3.917 13.017 804 HA LEU 98 HA LEU 98 -1.036 4.540 11.482 805 HG LEU 98 HG LEU 98 -0.221 3.609 8.712 806 HB2 LEU 98 2HB LEU 98 1.378 4.992 10.883 807 HB3 LEU 98 3HB LEU 98 1.528 3.297 10.463 808 HD11 LEU 98 1HD1 LEU 98 -1.370 5.528 9.720 809 HD12 LEU 98 2HD1 LEU 98 -0.883 5.854 8.057 810 HD13 LEU 98 3HD1 LEU 98 0.040 6.540 9.395 811 HD21 LEU 98 3HD2 LEU 98 2.161 3.724 8.143 812 HD22 LEU 98 1HD2 LEU 98 2.159 5.458 8.476 813 HD23 LEU 98 2HD2 LEU 98 1.205 4.813 7.140 814 H GLN 99 H GLN 99 -2.712 3.096 11.694 815 HA GLN 99 HA GLN 99 -2.403 0.353 12.126 816 HB2 GLN 99 2HB GLN 99 -4.856 1.850 11.194 817 HB3 GLN 99 3HB GLN 99 -4.850 0.199 11.803 818 HG2 GLN 99 2HG GLN 99 -3.968 1.024 13.955 819 HG3 GLN 99 3HG GLN 99 -4.073 2.673 13.341 820 HE21 GLN 99 1HE2 GLN 99 -5.846 -0.066 14.511 821 HE22 GLN 99 2HE2 GLN 99 -7.366 0.736 14.679 822 H GLU 100 H GLU 100 -2.910 -1.456 10.920 823 HA GLU 100 HA GLU 100 -1.778 -1.449 8.334 824 HB2 GLU 100 2HB GLU 100 -2.299 -3.865 8.359 825 HB3 GLU 100 3HB GLU 100 -1.494 -3.324 9.826 826 HG2 GLU 100 2HG GLU 100 -3.895 -3.129 10.790 827 HG3 GLU 100 3HG GLU 100 -4.343 -4.168 9.438 828 H ILE 101 H ILE 101 -2.645 -1.803 6.331 829 HA ILE 101 HA ILE 101 -5.545 -1.306 6.053 830 HB ILE 101 HB ILE 101 -3.327 -0.714 4.073 831 HG12 ILE 101 2HG1 ILE 101 -4.887 1.194 5.847 832 HG13 ILE 101 3HG1 ILE 101 -3.223 0.688 6.128 833 HG21 ILE 101 1HG2 ILE 101 -5.485 -1.138 2.991 834 HG22 ILE 101 2HG2 ILE 101 -5.031 0.560 2.853 835 HG23 ILE 101 3HG2 ILE 101 -6.249 0.068 4.029 836 HD11 ILE 101 3HD1 ILE 101 -3.268 2.874 5.136 837 HD12 ILE 101 1HD1 ILE 101 -4.243 2.283 3.791 838 HD13 ILE 101 2HD1 ILE 101 -2.582 1.723 3.990 839 H ARG 102 H ARG 102 -6.786 -2.736 4.914 840 HA ARG 102 HA ARG 102 -5.413 -4.965 3.531 841 HE ARG 102 HE ARG 102 -9.947 -6.805 4.590 842 HB2 ARG 102 2HB ARG 102 -7.397 -6.374 4.178 843 HB3 ARG 102 3HB ARG 102 -6.386 -5.871 5.524 844 HG2 ARG 102 2HG ARG 102 -7.998 -4.149 6.133 845 HG3 ARG 102 3HG ARG 102 -8.995 -4.564 4.737 846 HD2 ARG 102 2HD ARG 102 -8.332 -6.456 6.999 847 HD3 ARG 102 3HD ARG 102 -9.827 -5.530 6.873 848 HH11 ARG 102 1HH1 ARG 102 -8.940 -8.063 7.646 849 HH12 ARG 102 2HH1 ARG 102 -9.441 -9.670 7.258 850 HH21 ARG 102 1HH2 ARG 102 -10.604 -8.864 4.134 851 HH22 ARG 102 2HH2 ARG 102 -10.392 -10.117 5.309 852 H LEU 103 H LEU 103 -5.664 -4.673 1.388 853 HA LEU 103 HA LEU 103 -8.311 -3.837 0.354 854 HG LEU 103 HG LEU 103 -5.936 -1.882 0.729 855 HB2 LEU 103 2HB LEU 103 -5.592 -3.683 -0.967 856 HB3 LEU 103 3HB LEU 103 -7.101 -3.218 -1.724 857 HD11 LEU 103 1HD1 LEU 103 -5.954 -0.940 -2.140 858 HD12 LEU 103 2HD1 LEU 103 -4.543 -1.524 -1.259 859 HD13 LEU 103 3HD1 LEU 103 -5.350 -0.042 -0.747 860 HD21 LEU 103 3HD2 LEU 103 -8.261 -1.105 -1.044 861 HD22 LEU 103 1HD2 LEU 103 -7.620 -0.153 0.297 862 HD23 LEU 103 2HD2 LEU 103 -8.374 -1.717 0.607 863 H THR 104 H THR 104 -9.350 -5.104 -1.211 864 HA THR 104 HA THR 104 -7.997 -7.624 -1.970 865 HB THR 104 HB THR 104 -10.173 -8.814 -1.817 866 HG1 THR 104 HG1 THR 104 -11.945 -7.849 -1.013 867 HG21 THR 104 3HG2 THR 104 -9.282 -7.527 0.767 868 HG22 THR 104 1HG2 THR 104 -8.569 -8.960 0.025 869 HG23 THR 104 2HG2 THR 104 -10.227 -9.008 0.623 870 H ARG 105 H ARG 105 -7.772 -7.784 -4.078 871 HA ARG 105 HA ARG 105 -9.802 -6.632 -5.887 872 HE ARG 105 HE ARG 105 -7.511 -2.801 -6.818 873 HB2 ARG 105 2HB ARG 105 -6.869 -7.098 -6.109 874 HB3 ARG 105 3HB ARG 105 -7.810 -7.343 -7.572 875 HG2 ARG 105 2HG ARG 105 -6.895 -5.090 -7.463 876 HG3 ARG 105 3HG ARG 105 -8.655 -5.070 -7.445 877 HD2 ARG 105 2HD ARG 105 -8.639 -4.712 -5.026 878 HD3 ARG 105 3HD ARG 105 -6.874 -4.770 -5.022 879 HH11 ARG 105 1HH1 ARG 105 -8.231 -3.332 -3.480 880 HH12 ARG 105 2HH1 ARG 105 -8.291 -1.642 -3.127 881 HH21 ARG 105 1HH2 ARG 105 -7.587 -0.664 -6.343 882 HH22 ARG 105 2HH2 ARG 105 -7.919 -0.151 -4.717 883 H ILE 106 H ILE 106 -10.574 -7.943 -7.688 884 HA ILE 106 HA ILE 106 -10.577 -10.817 -6.986 885 HB ILE 106 HB ILE 106 -12.747 -9.328 -8.481 886 HG12 ILE 106 2HG1 ILE 106 -12.613 -8.466 -6.201 887 HG13 ILE 106 3HG1 ILE 106 -14.048 -9.469 -6.373 888 HG21 ILE 106 1HG2 ILE 106 -14.093 -11.331 -7.994 889 HG22 ILE 106 2HG2 ILE 106 -12.685 -12.092 -7.252 890 HG23 ILE 106 3HG2 ILE 106 -12.678 -11.710 -8.974 891 HD11 ILE 106 3HD1 ILE 106 -12.955 -9.861 -4.250 892 HD12 ILE 106 1HD1 ILE 106 -11.456 -10.288 -5.076 893 HD13 ILE 106 2HD1 ILE 106 -12.884 -11.307 -5.254 894 H LEU 107 H LEU 107 -9.604 -12.129 -8.355 895 HA LEU 107 HA LEU 107 -9.115 -11.336 -11.139 896 HG LEU 107 HG LEU 107 -5.993 -13.425 -11.068 897 HB2 LEU 107 2HB LEU 107 -7.287 -12.134 -9.548 898 HB3 LEU 107 3HB LEU 107 -8.011 -13.720 -9.636 899 HD11 LEU 107 1HD1 LEU 107 -6.889 -14.492 -13.069 900 HD12 LEU 107 2HD1 LEU 107 -8.525 -14.046 -12.584 901 HD13 LEU 107 3HD1 LEU 107 -7.590 -15.176 -11.603 902 HD21 LEU 107 3HD2 LEU 107 -7.763 -11.560 -12.639 903 HD22 LEU 107 1HD2 LEU 107 -6.174 -12.144 -13.136 904 HD23 LEU 107 2HD2 LEU 107 -6.328 -11.113 -11.714 905 HA PRO 108 HA PRO 108 -12.538 -14.178 -12.111 906 HB2 PRO 108 2HB PRO 108 -12.864 -13.452 -14.687 907 HB3 PRO 108 3HB PRO 108 -13.400 -12.426 -13.351 908 HG2 PRO 108 2HG PRO 108 -10.910 -12.226 -15.011 909 HG3 PRO 108 3HG PRO 108 -12.011 -10.937 -14.490 910 HD2 PRO 108 2HD PRO 108 -9.641 -11.491 -13.236 911 HD3 PRO 108 3HD PRO 108 -11.042 -10.783 -12.407 912 H PHE 109 H PHE 109 -12.615 -16.234 -12.990 913 HA PHE 109 HA PHE 109 -10.122 -17.292 -14.024 914 HD1 PHE 109 HD1 PHE 109 -9.099 -19.543 -13.410 915 HD2 PHE 109 HD2 PHE 109 -13.046 -20.574 -14.643 916 HE1 PHE 109 HE1 PHE 109 -8.241 -21.627 -14.401 917 HE2 PHE 109 HE2 PHE 109 -12.194 -22.657 -15.635 918 HZ PHE 109 HZ PHE 109 -9.792 -23.188 -15.516 919 HB2 PHE 109 2HB PHE 109 -11.291 -18.577 -12.330 920 HB3 PHE 109 3HB PHE 109 -12.727 -18.669 -13.343 921 H LEU 110 H LEU 110 -9.748 -16.894 -16.121 922 HA LEU 110 HA LEU 110 -11.674 -18.016 -18.057 923 HG LEU 110 HG LEU 110 -12.537 -15.684 -18.443 924 HB2 LEU 110 2HB LEU 110 -9.537 -15.930 -18.570 925 HB3 LEU 110 3HB LEU 110 -10.557 -16.651 -19.800 926 HD11 LEU 110 1HD1 LEU 110 -10.305 -13.979 -17.342 927 HD12 LEU 110 2HD1 LEU 110 -11.313 -15.099 -16.426 928 HD13 LEU 110 3HD1 LEU 110 -12.032 -13.668 -17.159 929 HD21 LEU 110 3HD2 LEU 110 -10.664 -13.817 -19.897 930 HD22 LEU 110 1HD2 LEU 110 -12.386 -13.556 -19.610 931 HD23 LEU 110 2HD2 LEU 110 -11.856 -14.879 -20.647 932 H ASP 111 H ASP 111 -11.059 -19.939 -18.804 933 HA ASP 111 HA ASP 111 -8.589 -21.108 -18.069 934 HB2 ASP 111 2HB ASP 111 -10.652 -22.408 -18.268 935 HB3 ASP 111 3HB ASP 111 -10.702 -22.099 -20.001 936 H ALA 112 H ALA 112 -9.818 -20.875 -21.420 937 HA ALA 112 HA ALA 112 -7.191 -21.446 -22.445 938 HB1 ALA 112 3HB ALA 112 -9.239 -22.426 -23.398 939 HB2 ALA 112 1HB ALA 112 -8.271 -21.576 -24.603 940 HB3 ALA 112 2HB ALA 112 -9.730 -20.825 -23.955 941 H GLN 113 H GLN 113 -7.367 -18.823 -21.141 942 HA GLN 113 HA GLN 113 -6.337 -17.229 -23.376 943 HB2 GLN 113 2HB GLN 113 -8.330 -16.145 -21.366 944 HB3 GLN 113 3HB GLN 113 -7.497 -15.199 -22.592 945 HG2 GLN 113 2HG GLN 113 -8.591 -16.659 -24.322 946 HG3 GLN 113 3HG GLN 113 -9.556 -17.352 -23.021 947 HE21 GLN 113 1HE2 GLN 113 -10.410 -15.856 -25.351 948 HE22 GLN 113 2HE2 GLN 113 -11.272 -14.482 -24.756 949 H GLU 114 H GLU 114 -4.231 -17.300 -22.699 950 HA GLU 114 HA GLU 114 -3.356 -17.050 -20.028 951 HB2 GLU 114 2HB GLU 114 -1.109 -16.710 -20.973 952 HB3 GLU 114 3HB GLU 114 -1.941 -18.060 -21.735 953 HG2 GLU 114 2HG GLU 114 -2.421 -16.729 -23.686 954 HG3 GLU 114 3HG GLU 114 -1.758 -15.291 -22.909 955 H LEU 115 H LEU 115 -3.899 -14.628 -22.544 956 HA LEU 115 HA LEU 115 -2.689 -12.430 -21.265 957 HG LEU 115 HG LEU 115 -3.430 -11.465 -24.778 958 HB2 LEU 115 2HB LEU 115 -5.065 -12.487 -23.133 959 HB3 LEU 115 3HB LEU 115 -4.250 -11.023 -22.625 960 HD11 LEU 115 1HD1 LEU 115 -1.670 -10.883 -23.200 961 HD12 LEU 115 2HD1 LEU 115 -1.065 -11.935 -24.478 962 HD13 LEU 115 3HD1 LEU 115 -1.384 -12.591 -22.872 963 HD21 LEU 115 3HD2 LEU 115 -2.612 -13.591 -25.573 964 HD22 LEU 115 1HD2 LEU 115 -4.254 -13.782 -24.959 965 HD23 LEU 115 2HD2 LEU 115 -2.883 -14.325 -23.995 966 H ALA 116 H ALA 116 -5.969 -13.742 -21.064 967 HA ALA 116 HA ALA 116 -6.912 -11.826 -19.149 968 HB1 ALA 116 3HB ALA 116 -8.027 -14.539 -19.856 969 HB2 ALA 116 1HB ALA 116 -8.423 -13.021 -20.663 970 HB3 ALA 116 2HB ALA 116 -8.866 -13.263 -18.973 971 H LYS 117 H LYS 117 -4.531 -13.935 -18.711 972 HA LYS 117 HA LYS 117 -5.228 -14.454 -15.886 973 HB2 LYS 117 2HB LYS 117 -3.095 -15.775 -17.594 974 HB3 LYS 117 3HB LYS 117 -3.404 -16.135 -15.904 975 HG2 LYS 117 2HG LYS 117 -5.568 -16.485 -17.952 976 HG3 LYS 117 3HG LYS 117 -4.320 -17.712 -17.753 977 HD2 LYS 117 2HD LYS 117 -6.118 -18.428 -16.408 978 HD3 LYS 117 3HD LYS 117 -4.951 -17.742 -15.279 979 HE2 LYS 117 2HE LYS 117 -7.290 -17.091 -14.791 980 HE3 LYS 117 3HE LYS 117 -6.245 -15.709 -15.114 981 HZ1 LYS 117 3HZ LYS 117 -8.392 -15.529 -16.233 982 HZ2 LYS 117 1HZ LYS 117 -8.072 -16.954 -17.095 983 HZ3 LYS 117 2HZ LYS 117 -7.118 -15.577 -17.338 984 H ALA 118 H ALA 118 -2.247 -13.922 -17.782 985 HA ALA 118 HA ALA 118 -0.802 -12.764 -15.647 986 HB1 ALA 118 3HB ALA 118 0.894 -12.255 -17.308 987 HB2 ALA 118 1HB ALA 118 -0.260 -12.543 -18.610 988 HB3 ALA 118 2HB ALA 118 0.250 -13.875 -17.572 989 H ALA 119 H ALA 119 -2.030 -11.158 -18.624 990 HA ALA 119 HA ALA 119 -1.409 -8.542 -17.813 991 HB1 ALA 119 3HB ALA 119 -2.915 -7.803 -19.597 992 HB2 ALA 119 1HB ALA 119 -3.567 -9.435 -19.728 993 HB3 ALA 119 2HB ALA 119 -1.880 -9.125 -20.139 994 H GLU 120 H GLU 120 -4.358 -10.440 -17.406 995 HA GLU 120 HA GLU 120 -6.029 -8.489 -16.289 996 HB2 GLU 120 2HB GLU 120 -6.752 -10.740 -17.064 997 HB3 GLU 120 3HB GLU 120 -5.951 -11.459 -15.676 998 HG2 GLU 120 2HG GLU 120 -8.305 -11.346 -15.252 999 HG3 GLU 120 3HG GLU 120 -7.479 -10.212 -14.188 1000 H GLU 121 H GLU 121 -4.034 -10.930 -14.575 1001 HA GLU 121 HA GLU 121 -4.476 -9.960 -11.971 1002 HB2 GLU 121 2HB GLU 121 -3.539 -12.200 -12.484 1003 HB3 GLU 121 3HB GLU 121 -2.046 -11.441 -13.022 1004 HG2 GLU 121 2HG GLU 121 -1.747 -10.520 -10.733 1005 HG3 GLU 121 3HG GLU 121 -3.180 -11.413 -10.225 1006 H GLU 122 H GLU 122 -1.999 -9.170 -14.365 1007 HA GLU 122 HA GLU 122 -0.306 -7.560 -12.870 1008 HB2 GLU 122 2HB GLU 122 0.144 -8.253 -15.185 1009 HB3 GLU 122 3HB GLU 122 -1.153 -7.211 -15.755 1010 HG2 GLU 122 2HG GLU 122 0.095 -5.251 -14.913 1011 HG3 GLU 122 3HG GLU 122 1.412 -6.326 -14.439 1012 H MET 123 H MET 123 -3.261 -6.591 -14.634 1013 HA MET 123 HA MET 123 -3.262 -3.866 -14.018 1014 HB2 MET 123 2HB MET 123 -5.584 -5.772 -14.379 1015 HB3 MET 123 3HB MET 123 -5.766 -4.027 -14.283 1016 HG2 MET 123 2HG MET 123 -4.163 -5.487 -16.377 1017 HG3 MET 123 3HG MET 123 -5.807 -4.885 -16.586 1018 HE1 MET 123 3HE MET 123 -3.496 -4.108 -18.613 1019 HE2 MET 123 1HE MET 123 -3.811 -2.385 -18.804 1020 HE3 MET 123 2HE MET 123 -5.156 -3.524 -18.725 1021 H LEU 124 H LEU 124 -4.725 -6.560 -12.207 1022 HA LEU 124 HA LEU 124 -5.796 -4.994 -10.112 1023 HG LEU 124 HG LEU 124 -6.666 -7.520 -11.828 1024 HB2 LEU 124 2HB LEU 124 -4.976 -7.903 -10.084 1025 HB3 LEU 124 3HB LEU 124 -6.010 -7.124 -8.898 1026 HD11 LEU 124 1HD1 LEU 124 -6.728 -9.594 -10.545 1027 HD12 LEU 124 2HD1 LEU 124 -8.351 -9.087 -11.014 1028 HD13 LEU 124 3HD1 LEU 124 -7.793 -8.840 -9.358 1029 HD21 LEU 124 3HD2 LEU 124 -8.882 -6.659 -11.258 1030 HD22 LEU 124 1HD2 LEU 124 -7.639 -5.445 -10.955 1031 HD23 LEU 124 2HD2 LEU 124 -8.349 -6.337 -9.610 1032 H TYR 125 H TYR 125 -2.680 -6.657 -10.454 1033 HA TYR 125 HA TYR 125 -1.712 -6.283 -7.853 1034 HD1 TYR 125 HD1 TYR 125 0.515 -7.797 -7.092 1035 HD2 TYR 125 HD2 TYR 125 1.777 -5.158 -10.194 1036 HE1 TYR 125 HE1 TYR 125 2.643 -7.440 -5.920 1037 HE2 TYR 125 HE2 TYR 125 3.910 -4.798 -9.020 1038 HH TYR 125 HH TYR 125 4.794 -4.957 -6.703 1039 HB2 TYR 125 2HB TYR 125 -0.576 -7.771 -9.397 1040 HB3 TYR 125 3HB TYR 125 -0.208 -6.432 -10.479 1041 H LYS 126 H LYS 126 -1.178 -4.243 -10.739 1042 HA LYS 126 HA LYS 126 0.233 -2.237 -9.274 1043 HB2 LYS 126 2HB LYS 126 0.116 -0.924 -11.342 1044 HB3 LYS 126 3HB LYS 126 0.638 -2.574 -11.649 1045 HG2 LYS 126 2HG LYS 126 -1.776 -3.074 -12.263 1046 HG3 LYS 126 3HG LYS 126 -2.030 -1.327 -12.253 1047 HD2 LYS 126 2HD LYS 126 -0.045 -2.835 -13.967 1048 HD3 LYS 126 3HD LYS 126 -1.569 -2.135 -14.514 1049 HE2 LYS 126 2HE LYS 126 -0.764 0.097 -14.020 1050 HE3 LYS 126 3HE LYS 126 0.724 -0.556 -13.336 1051 HZ1 LYS 126 3HZ LYS 126 1.264 -1.463 -15.522 1052 HZ2 LYS 126 1HZ LYS 126 1.098 0.219 -15.569 1053 HZ3 LYS 126 2HZ LYS 126 -0.136 -0.769 -16.169 1054 H ASP 127 H ASP 127 -3.144 -2.758 -10.036 1055 HA ASP 127 HA ASP 127 -4.080 -0.156 -9.428 1056 HB2 ASP 127 2HB ASP 127 -5.435 -1.851 -10.624 1057 HB3 ASP 127 3HB ASP 127 -5.557 -2.788 -9.137 1058 H MET 128 H MET 128 -3.927 -3.114 -7.401 1059 HA MET 128 HA MET 128 -4.786 -1.764 -5.048 1060 HB2 MET 128 2HB MET 128 -4.159 -3.776 -3.829 1061 HB3 MET 128 3HB MET 128 -5.042 -4.187 -5.289 1062 HG2 MET 128 2HG MET 128 -2.929 -4.767 -6.392 1063 HG3 MET 128 3HG MET 128 -2.060 -4.372 -4.908 1064 HE1 MET 128 3HE MET 128 -1.739 -7.183 -6.366 1065 HE2 MET 128 1HE MET 128 -1.823 -8.287 -4.994 1066 HE3 MET 128 2HE MET 128 -0.919 -6.780 -4.857 1067 H GLN 129 H GLN 129 -1.592 -2.418 -6.419 1068 HA GLN 129 HA GLN 129 -0.008 -1.495 -4.285 1069 HB2 GLN 129 2HB GLN 129 0.911 -2.624 -6.278 1070 HB3 GLN 129 3HB GLN 129 0.483 -1.237 -7.267 1071 HG2 GLN 129 2HG GLN 129 2.833 -1.170 -6.809 1072 HG3 GLN 129 3HG GLN 129 2.050 0.148 -5.941 1073 HE21 GLN 129 1HE2 GLN 129 1.915 0.053 -3.694 1074 HE22 GLN 129 2HE2 GLN 129 2.885 -1.029 -2.761 1075 H LYS 130 H LYS 130 -1.532 0.237 -6.971 1076 HA LYS 130 HA LYS 130 -0.672 2.849 -6.315 1077 HB2 LYS 130 2HB LYS 130 -1.594 2.242 -8.508 1078 HB3 LYS 130 3HB LYS 130 -3.157 1.916 -7.775 1079 HG2 LYS 130 2HG LYS 130 -3.235 4.337 -7.089 1080 HG3 LYS 130 3HG LYS 130 -1.787 4.583 -8.068 1081 HD2 LYS 130 2HD LYS 130 -4.472 3.591 -9.045 1082 HD3 LYS 130 3HD LYS 130 -3.769 5.182 -9.342 1083 HE2 LYS 130 2HE LYS 130 -1.946 4.149 -10.600 1084 HE3 LYS 130 3HE LYS 130 -2.617 2.550 -10.279 1085 HZ1 LYS 130 3HZ LYS 130 -4.543 3.090 -11.557 1086 HZ2 LYS 130 1HZ LYS 130 -3.177 3.434 -12.491 1087 HZ3 LYS 130 2HZ LYS 130 -4.039 4.690 -11.760 1088 H ASP 131 H ASP 131 -3.849 1.319 -5.770 1089 HA ASP 131 HA ASP 131 -5.040 3.338 -4.296 1090 HB2 ASP 131 2HB ASP 131 -6.187 1.349 -5.258 1091 HB3 ASP 131 3HB ASP 131 -5.480 0.355 -3.989 1092 H ALA 132 H ALA 132 -3.089 0.601 -3.122 1093 HA ALA 132 HA ALA 132 -3.437 0.887 -0.388 1094 HB1 ALA 132 3HB ALA 132 -2.287 -1.009 -1.405 1095 HB2 ALA 132 1HB ALA 132 -1.319 -0.289 -0.118 1096 HB3 ALA 132 2HB ALA 132 -0.918 0.027 -1.807 1097 H VAL 133 H VAL 133 -0.843 2.400 -2.362 1098 HA VAL 133 HA VAL 133 0.291 3.784 -0.156 1099 HB VAL 133 HB VAL 133 1.526 3.284 -2.259 1100 HG11 VAL 133 1HG1 VAL 133 1.294 4.756 -4.197 1101 HG12 VAL 133 2HG1 VAL 133 -0.071 5.565 -3.425 1102 HG13 VAL 133 3HG1 VAL 133 -0.198 3.868 -3.883 1103 HG21 VAL 133 3HG2 VAL 133 2.798 5.387 -2.317 1104 HG22 VAL 133 1HG2 VAL 133 2.411 4.897 -0.665 1105 HG23 VAL 133 2HG2 VAL 133 1.496 6.192 -1.439 1106 H GLN 134 H GLN 134 -2.335 4.563 -2.349 1107 HA GLN 134 HA GLN 134 -2.581 7.317 -1.557 1108 HB2 GLN 134 2HB GLN 134 -4.707 5.501 -2.731 1109 HB3 GLN 134 3HB GLN 134 -4.754 7.257 -2.671 1110 HG2 GLN 134 2HG GLN 134 -2.814 5.578 -4.248 1111 HG3 GLN 134 3HG GLN 134 -4.192 6.459 -4.896 1112 HE21 GLN 134 1HE2 GLN 134 -1.372 6.668 -5.546 1113 HE22 GLN 134 2HE2 GLN 134 -0.932 8.315 -5.280 1114 H GLN 135 H GLN 135 -3.901 4.251 -0.431 1115 HA GLN 135 HA GLN 135 -5.705 5.269 1.503 1116 HB2 GLN 135 2HB GLN 135 -4.201 2.635 1.458 1117 HB3 GLN 135 3HB GLN 135 -5.558 3.004 2.515 1118 HG2 GLN 135 2HG GLN 135 -5.805 3.128 -0.478 1119 HG3 GLN 135 3HG GLN 135 -6.003 1.620 0.408 1120 HE21 GLN 135 1HE2 GLN 135 -8.144 1.507 -0.335 1121 HE22 GLN 135 2HE2 GLN 135 -9.391 2.470 0.368 1122 H ILE 136 H ILE 136 -2.288 4.296 1.675 1123 HA ILE 136 HA ILE 136 -1.787 4.917 4.375 1124 HB ILE 136 HB ILE 136 0.106 5.215 2.021 1125 HG12 ILE 136 2HG1 ILE 136 -0.287 2.870 3.905 1126 HG13 ILE 136 3HG1 ILE 136 -0.839 2.932 2.234 1127 HG21 ILE 136 1HG2 ILE 136 0.695 4.981 4.978 1128 HG22 ILE 136 2HG2 ILE 136 0.917 6.417 3.977 1129 HG23 ILE 136 3HG2 ILE 136 1.901 4.981 3.690 1130 HD11 ILE 136 3HD1 ILE 136 1.186 1.653 2.376 1131 HD12 ILE 136 1HD1 ILE 136 2.017 2.983 3.182 1132 HD13 ILE 136 2HD1 ILE 136 1.503 3.153 1.503 1133 H LEU 137 H LEU 137 -1.299 6.896 1.462 1134 HA LEU 137 HA LEU 137 -0.592 9.339 2.431 1135 HG LEU 137 HG LEU 137 -2.484 11.210 0.926 1136 HB2 LEU 137 2HB LEU 137 -0.911 8.785 0.052 1137 HB3 LEU 137 3HB LEU 137 -2.646 8.748 0.289 1138 HD11 LEU 137 1HD1 LEU 137 -0.110 11.304 1.386 1139 HD12 LEU 137 2HD1 LEU 137 -0.531 12.420 0.089 1140 HD13 LEU 137 3HD1 LEU 137 0.257 10.887 -0.289 1141 HD21 LEU 137 3HD2 LEU 137 -1.749 10.385 -1.888 1142 HD22 LEU 137 1HD2 LEU 137 -2.423 11.946 -1.416 1143 HD23 LEU 137 2HD2 LEU 137 -3.377 10.477 -1.216 1144 H ARG 138 H ARG 138 -3.944 8.242 2.005 1145 HA ARG 138 HA ARG 138 -5.234 10.452 3.119 1146 HE ARG 138 HE ARG 138 -9.259 9.357 1.025 1147 HB2 ARG 138 2HB ARG 138 -6.334 8.780 1.711 1148 HB3 ARG 138 3HB ARG 138 -6.137 7.568 2.967 1149 HG2 ARG 138 2HG ARG 138 -7.641 8.825 4.428 1150 HG3 ARG 138 3HG ARG 138 -7.815 10.066 3.183 1151 HD2 ARG 138 2HD ARG 138 -8.589 7.159 2.867 1152 HD3 ARG 138 3HD ARG 138 -9.707 8.477 3.210 1153 HH11 ARG 138 1HH1 ARG 138 -7.933 6.216 1.566 1154 HH12 ARG 138 2HH1 ARG 138 -7.879 5.841 -0.120 1155 HH21 ARG 138 1HH2 ARG 138 -9.206 8.832 -1.130 1156 HH22 ARG 138 2HH2 ARG 138 -8.587 7.289 -1.617 1157 H GLN 139 H GLN 139 -4.268 7.382 4.703 1158 HA GLN 139 HA GLN 139 -5.440 8.009 7.207 1159 HB2 GLN 139 2HB GLN 139 -4.876 5.704 6.589 1160 HB3 GLN 139 3HB GLN 139 -3.161 6.098 6.620 1161 HG2 GLN 139 2HG GLN 139 -3.274 6.539 9.001 1162 HG3 GLN 139 3HG GLN 139 -5.013 6.271 8.993 1163 HE21 GLN 139 1HE2 GLN 139 -2.790 4.275 7.158 1164 HE22 GLN 139 2HE2 GLN 139 -2.983 2.855 8.121 1165 H VAL 140 H VAL 140 -2.075 8.375 6.057 1166 HA VAL 140 HA VAL 140 -1.035 9.480 8.443 1167 HB VAL 140 HB VAL 140 -0.098 9.962 5.595 1168 HG11 VAL 140 1HG1 VAL 140 1.361 10.349 8.217 1169 HG12 VAL 140 2HG1 VAL 140 0.813 11.630 7.134 1170 HG13 VAL 140 3HG1 VAL 140 2.074 10.512 6.612 1171 HG21 VAL 140 3HG2 VAL 140 1.534 8.179 6.049 1172 HG22 VAL 140 1HG2 VAL 140 -0.123 7.584 6.145 1173 HG23 VAL 140 2HG2 VAL 140 0.789 7.898 7.622 1174 H SER 141 H SER 141 -2.729 10.902 5.717 1175 HA SER 141 HA SER 141 -2.318 13.632 6.500 1176 HG SER 141 HG SER 141 -4.234 14.885 5.548 1177 HB2 SER 141 2HB SER 141 -2.788 13.034 4.164 1178 HB3 SER 141 3HB SER 141 -4.370 12.413 4.628 1179 H ALA 142 H ALA 142 -4.319 11.190 7.767 1180 HA ALA 142 HA ALA 142 -6.045 13.217 9.039 1181 HB1 ALA 142 3HB ALA 142 -7.258 12.251 7.135 1182 HB2 ALA 142 1HB ALA 142 -8.030 11.876 8.676 1183 HB3 ALA 142 2HB ALA 142 -7.075 10.646 7.845 1184 H PHE 143 H PHE 143 -3.775 11.143 9.880 1185 HA PHE 143 HA PHE 143 -4.924 9.317 11.660 1186 HD1 PHE 143 HD1 PHE 143 -2.257 10.839 14.351 1187 HD2 PHE 143 HD2 PHE 143 -1.345 11.308 10.223 1188 HE1 PHE 143 HE1 PHE 143 -0.731 12.688 14.901 1189 HE2 PHE 143 HE2 PHE 143 0.171 13.163 10.763 1190 HZ PHE 143 HZ PHE 143 0.484 13.856 13.106 1191 HB2 PHE 143 2HB PHE 143 -2.778 9.080 12.697 1192 HB3 PHE 143 3HB PHE 143 -2.501 9.358 10.984 1193 H THR 144 H THR 144 -4.338 12.741 12.058 1194 HA THR 144 HA THR 144 -4.657 12.899 14.869 1195 HB THR 144 HB THR 144 -3.663 14.750 13.630 1196 HG1 THR 144 HG1 THR 144 -6.121 15.660 14.766 1197 HG21 THR 144 3HG2 THR 144 -5.014 16.248 12.236 1198 HG22 THR 144 1HG2 THR 144 -6.417 15.202 12.460 1199 HG23 THR 144 2HG2 THR 144 -5.009 14.610 11.578 1200 H SER 145 H SER 145 -6.943 12.617 12.276 1201 HA SER 145 HA SER 145 -9.198 13.065 14.122 1202 HG SER 145 HG SER 145 -8.753 11.951 10.837 1203 HB2 SER 145 2HB SER 145 -10.598 13.122 12.044 1204 HB3 SER 145 3HB SER 145 -9.376 14.391 12.097 1205 H ALA 146 H ALA 146 -9.504 11.158 15.179 1206 HA ALA 146 HA ALA 146 -8.896 8.612 14.126 1207 HB1 ALA 146 3HB ALA 146 -8.929 9.105 16.526 1208 HB2 ALA 146 1HB ALA 146 -9.946 7.718 16.134 1209 HB3 ALA 146 2HB ALA 146 -10.681 9.287 16.466 1210 H GLY 147 H GLY 147 -12.070 10.209 14.577 1211 HA2 GLY 147 2HA GLY 147 -14.129 9.749 13.629 1212 HA3 GLY 147 3HA GLY 147 -13.303 8.731 12.456 1213 H LEU 148 H LEU 148 -13.895 8.670 15.973 1214 HA LEU 148 HA LEU 148 -14.223 5.754 15.817 1215 HG LEU 148 HG LEU 148 -13.818 4.520 17.785 1216 HB2 LEU 148 2HB LEU 148 -12.568 6.954 17.374 1217 HB3 LEU 148 3HB LEU 148 -13.962 7.413 18.327 1218 HD11 LEU 148 1HD1 LEU 148 -11.665 5.808 19.466 1219 HD12 LEU 148 2HD1 LEU 148 -11.425 4.949 17.943 1220 HD13 LEU 148 3HD1 LEU 148 -12.003 4.079 19.364 1221 HD21 LEU 148 3HD2 LEU 148 -15.402 5.496 19.375 1222 HD22 LEU 148 1HD2 LEU 148 -14.062 6.122 20.336 1223 HD23 LEU 148 2HD2 LEU 148 -14.300 4.381 20.180 1224 H GLU 149 H GLU 149 -16.281 7.998 15.246 1225 HA GLU 149 HA GLU 149 -18.349 7.915 17.144 1226 HB2 GLU 149 2HB GLU 149 -18.615 8.175 14.135 1227 HB3 GLU 149 3HB GLU 149 -19.833 8.624 15.319 1228 HG2 GLU 149 2HG GLU 149 -18.332 10.353 16.199 1229 HG3 GLU 149 3HG GLU 149 -17.128 9.911 14.988 1230 H HIS 150 H HIS 150 -18.035 6.048 14.130 1231 HA HIS 150 HA HIS 150 -20.105 4.177 15.005 1232 HD1 HIS 150 HD1 HIS 150 -18.745 6.099 10.981 1233 HD2 HIS 150 HD2 HIS 150 -22.026 5.734 13.505 1234 HE1 HIS 150 HE1 HIS 150 -20.212 8.058 10.458 1235 HE2 HIS 150 HE2 HIS 150 -22.097 7.915 12.109 1236 HB2 HIS 150 2HB HIS 150 -18.571 4.096 12.399 1237 HB3 HIS 150 3HB HIS 150 -20.152 3.404 12.752 1238 H HIS 151 H HIS 151 -18.134 3.875 16.709 1239 HA HIS 151 HA HIS 151 -15.980 2.202 15.976 1240 HD1 HIS 151 HD1 HIS 151 -17.669 0.996 19.973 1241 HD2 HIS 151 HD2 HIS 151 -18.115 4.929 18.711 1242 HE1 HIS 151 HE1 HIS 151 -19.543 1.936 21.346 1243 HE2 HIS 151 HE2 HIS 151 -19.892 4.262 20.461 1244 HB2 HIS 151 2HB HIS 151 -15.775 1.793 18.456 1245 HB3 HIS 151 3HB HIS 151 -15.777 3.485 17.972 1246 H HIS 152 H HIS 152 -16.823 0.487 14.746 1247 HA HIS 152 HA HIS 152 -17.534 -1.819 16.373 1248 HD1 HIS 152 HD1 HIS 152 -19.770 -3.386 13.087 1249 HD2 HIS 152 HD2 HIS 152 -20.102 -3.175 17.222 1250 HE1 HIS 152 HE1 HIS 152 -20.767 -5.578 13.792 1251 HE2 HIS 152 HE2 HIS 152 -21.080 -5.373 16.276 1252 HB2 HIS 152 2HB HIS 152 -19.713 -0.765 15.643 1253 HB3 HIS 152 3HB HIS 152 -19.248 -1.092 13.977 1254 H HIS 153 H HIS 153 -15.224 -0.943 14.881 1255 HA HIS 153 HA HIS 153 -14.859 -2.022 12.357 1256 HD1 HIS 153 HD1 HIS 153 -11.406 -3.799 13.844 1257 HD2 HIS 153 HD2 HIS 153 -11.958 -0.846 10.970 1258 HE1 HIS 153 HE1 HIS 153 -9.702 -4.266 12.063 1259 HE2 HIS 153 HE2 HIS 153 -9.934 -2.364 10.439 1260 HB2 HIS 153 2HB HIS 153 -13.231 -0.550 13.436 1261 HB3 HIS 153 3HB HIS 153 -12.866 -1.791 14.628 1262 H HIS 154 H HIS 154 -15.178 -4.058 11.672 1263 HA HIS 154 HA HIS 154 -14.931 -6.326 13.463 1264 HD1 HIS 154 HD1 HIS 154 -14.348 -8.379 9.833 1265 HD2 HIS 154 HD2 HIS 154 -17.007 -8.835 12.994 1266 HE1 HIS 154 HE1 HIS 154 -14.599 -10.856 10.149 1267 HE2 HIS 154 HE2 HIS 154 -16.083 -11.099 12.161 1268 HB2 HIS 154 2HB HIS 154 -16.738 -6.295 11.809 1269 HB3 HIS 154 3HB HIS 154 -15.565 -6.197 10.499 1270 H HIS 155 H HIS 155 -13.115 -7.441 13.776 1271 HA HIS 155 HA HIS 155 -10.805 -7.040 12.051 1272 HD1 HIS 155 HD1 HIS 155 -11.935 -6.737 16.115 1273 HD2 HIS 155 HD2 HIS 155 -11.327 -10.677 14.928 1274 HE1 HIS 155 HE1 HIS 155 -13.146 -8.145 17.802 1275 HE2 HIS 155 HE2 HIS 155 -12.915 -10.497 16.959 1276 HB2 HIS 155 2HB HIS 155 -9.705 -8.591 13.814 1277 HB3 HIS 155 3HB HIS 155 -10.175 -6.968 14.294 Start of MODEL 11 1 HA MET 1 HA MET 1 -19.856 13.595 11.060 2 H1 MET 1 1H MET 1 -18.137 14.409 13.339 3 H2 MET 1 2H MET 1 -17.715 13.313 12.120 4 H3 MET 1 3H MET 1 -18.968 12.946 13.195 5 HB2 MET 1 2HB MET 1 -21.441 15.257 11.831 6 HB3 MET 1 3HB MET 1 -21.108 14.124 13.133 7 HG2 MET 1 2HG MET 1 -19.602 15.743 14.169 8 HG3 MET 1 3HG MET 1 -19.911 16.879 12.857 9 HE1 MET 1 3HE MET 1 -23.090 15.526 15.918 10 HE2 MET 1 1HE MET 1 -21.409 14.993 15.947 11 HE3 MET 1 2HE MET 1 -22.481 14.470 14.645 12 H GLY 2 H GLY 2 -17.187 15.454 12.000 13 HA2 GLY 2 2HA GLY 2 -17.797 17.714 10.237 14 HA3 GLY 2 3HA GLY 2 -16.439 17.591 11.340 15 H PHE 3 H PHE 3 -17.666 16.696 8.185 16 HA PHE 3 HA PHE 3 -15.363 15.322 7.261 17 HD1 PHE 3 HD1 PHE 3 -16.422 13.340 5.300 18 HD2 PHE 3 HD2 PHE 3 -19.360 15.918 6.999 19 HE1 PHE 3 HE1 PHE 3 -17.889 11.406 5.698 20 HE2 PHE 3 HE2 PHE 3 -20.826 13.988 7.397 21 HZ PHE 3 HZ PHE 3 -20.094 11.728 6.747 22 HB2 PHE 3 2HB PHE 3 -17.505 16.816 5.724 23 HB3 PHE 3 3HB PHE 3 -16.306 15.753 4.994 24 H LYS 4 H LYS 4 -13.425 16.062 6.616 25 HA LYS 4 HA LYS 4 -12.976 18.958 6.796 26 HB2 LYS 4 2HB LYS 4 -11.064 16.619 6.936 27 HB3 LYS 4 3HB LYS 4 -10.577 18.305 7.057 28 HG2 LYS 4 2HG LYS 4 -12.487 16.928 8.946 29 HG3 LYS 4 3HG LYS 4 -10.766 17.170 9.248 30 HD2 LYS 4 2HD LYS 4 -12.769 19.385 8.771 31 HD3 LYS 4 3HD LYS 4 -12.201 18.862 10.359 32 HE2 LYS 4 2HE LYS 4 -10.427 19.936 8.160 33 HE3 LYS 4 3HE LYS 4 -11.041 20.883 9.513 34 HZ1 LYS 4 3HZ LYS 4 -9.297 18.492 9.752 35 HZ2 LYS 4 1HZ LYS 4 -9.859 19.446 11.029 36 HZ3 LYS 4 2HZ LYS 4 -8.786 20.096 9.899 37 H LEU 5 H LEU 5 -14.071 17.881 4.322 38 HA LEU 5 HA LEU 5 -12.029 17.680 2.358 39 HG LEU 5 HG LEU 5 -15.039 16.074 0.921 40 HB2 LEU 5 2HB LEU 5 -14.985 18.224 2.154 41 HB3 LEU 5 3HB LEU 5 -13.951 18.202 0.740 42 HD11 LEU 5 1HD1 LEU 5 -12.747 16.022 0.124 43 HD12 LEU 5 2HD1 LEU 5 -13.113 14.563 1.039 44 HD13 LEU 5 3HD1 LEU 5 -12.153 15.846 1.775 45 HD21 LEU 5 3HD2 LEU 5 -14.777 14.604 2.860 46 HD22 LEU 5 1HD2 LEU 5 -15.590 16.107 3.296 47 HD23 LEU 5 2HD2 LEU 5 -13.890 15.873 3.709 48 H ARG 6 H ARG 6 -10.619 19.407 2.667 49 HA ARG 6 HA ARG 6 -11.561 22.111 2.047 50 HE ARG 6 HE ARG 6 -6.874 24.629 2.049 51 HB2 ARG 6 2HB ARG 6 -10.001 21.901 3.902 52 HB3 ARG 6 3HB ARG 6 -8.853 21.037 2.891 53 HG2 ARG 6 2HG ARG 6 -8.484 23.051 1.561 54 HG3 ARG 6 3HG ARG 6 -9.670 23.922 2.534 55 HD2 ARG 6 2HD ARG 6 -8.297 23.872 4.451 56 HD3 ARG 6 3HD ARG 6 -7.255 22.620 3.773 57 HH11 ARG 6 1HH1 ARG 6 -6.891 24.666 5.500 58 HH12 ARG 6 2HH1 ARG 6 -5.664 25.877 5.582 59 HH21 ARG 6 1HH2 ARG 6 -5.309 26.174 2.196 60 HH22 ARG 6 2HH2 ARG 6 -4.795 26.726 3.754 61 H GLY 7 H GLY 7 -10.351 23.388 0.373 62 HA2 GLY 7 2HA GLY 7 -10.555 22.187 -2.140 63 HA3 GLY 7 3HA GLY 7 -9.774 23.720 -1.820 64 H GLN 8 H GLN 8 -7.962 21.764 -0.011 65 HA GLN 8 HA GLN 8 -5.883 21.442 -1.957 66 HB2 GLN 8 2HB GLN 8 -4.713 20.225 -0.035 67 HB3 GLN 8 3HB GLN 8 -5.113 21.916 0.210 68 HG2 GLN 8 2HG GLN 8 -5.609 20.806 2.228 69 HG3 GLN 8 3HG GLN 8 -7.157 21.155 1.468 70 HE21 GLN 8 1HE2 GLN 8 -8.386 19.418 0.642 71 HE22 GLN 8 2HE2 GLN 8 -8.064 17.786 1.104 72 H VAL 9 H VAL 9 -4.723 19.271 -2.220 73 HA VAL 9 HA VAL 9 -6.657 17.300 -3.070 74 HB VAL 9 HB VAL 9 -4.791 17.631 -4.526 75 HG11 VAL 9 1HG1 VAL 9 -2.478 17.192 -3.904 76 HG12 VAL 9 2HG1 VAL 9 -2.975 16.827 -2.252 77 HG13 VAL 9 3HG1 VAL 9 -3.169 18.459 -2.890 78 HG21 VAL 9 3HG2 VAL 9 -3.936 15.350 -4.773 79 HG22 VAL 9 1HG2 VAL 9 -5.661 15.342 -4.408 80 HG23 VAL 9 2HG2 VAL 9 -4.490 14.955 -3.146 81 H SER 10 H SER 10 -3.923 17.208 -0.746 82 HA SER 10 HA SER 10 -5.334 15.792 1.237 83 HG SER 10 HG SER 10 -3.596 13.374 1.842 84 HB2 SER 10 2HB SER 10 -5.136 13.937 -0.469 85 HB3 SER 10 3HB SER 10 -3.388 14.019 -0.275 86 H GLU 11 H GLU 11 -4.049 17.819 1.917 87 HA GLU 11 HA GLU 11 -1.191 17.271 2.315 88 HB2 GLU 11 2HB GLU 11 -2.707 19.878 2.528 89 HB3 GLU 11 3HB GLU 11 -0.969 19.690 2.726 90 HG2 GLU 11 2HG GLU 11 -0.853 18.826 0.397 91 HG3 GLU 11 3HG GLU 11 -2.567 19.197 0.220 92 H LEU 12 H LEU 12 -0.159 17.849 4.300 93 HA LEU 12 HA LEU 12 -1.879 17.577 6.676 94 HG LEU 12 HG LEU 12 0.487 15.890 4.562 95 HB2 LEU 12 2HB LEU 12 0.149 16.163 7.550 96 HB3 LEU 12 3HB LEU 12 -1.072 15.431 6.532 97 HD11 LEU 12 1HD1 LEU 12 2.868 16.091 5.082 98 HD12 LEU 12 2HD1 LEU 12 2.475 16.307 6.789 99 HD13 LEU 12 3HD1 LEU 12 1.956 17.506 5.605 100 HD21 LEU 12 3HD2 LEU 12 1.358 13.945 6.698 101 HD22 LEU 12 1HD2 LEU 12 1.818 13.882 4.995 102 HD23 LEU 12 2HD2 LEU 12 0.132 13.663 5.460 103 HA PRO 13 HA PRO 13 0.083 21.016 8.448 104 HB2 PRO 13 2HB PRO 13 0.483 20.362 11.067 105 HB3 PRO 13 3HB PRO 13 -1.114 20.660 10.371 106 HG2 PRO 13 2HG PRO 13 0.271 18.044 10.874 107 HG3 PRO 13 3HG PRO 13 -1.407 18.506 11.227 108 HD2 PRO 13 2HD PRO 13 -0.766 17.047 9.056 109 HD3 PRO 13 3HD PRO 13 -2.073 18.250 9.015 110 H PHE 14 H PHE 14 1.952 18.060 9.100 111 HA PHE 14 HA PHE 14 4.307 19.593 9.804 112 HD1 PHE 14 HD1 PHE 14 1.952 16.807 11.115 113 HD2 PHE 14 HD2 PHE 14 4.841 15.416 8.311 114 HE1 PHE 14 HE1 PHE 14 0.572 14.817 10.685 115 HE2 PHE 14 HE2 PHE 14 3.460 13.427 7.875 116 HZ PHE 14 HZ PHE 14 1.324 13.129 9.061 117 HB2 PHE 14 2HB PHE 14 5.373 17.207 9.799 118 HB3 PHE 14 3HB PHE 14 4.275 17.680 11.086 119 H GLU 15 H GLU 15 5.496 20.526 8.345 120 HA GLU 15 HA GLU 15 5.165 20.094 5.552 121 HB2 GLU 15 2HB GLU 15 6.904 21.859 5.335 122 HB3 GLU 15 3HB GLU 15 5.587 22.301 6.418 123 HG2 GLU 15 2HG GLU 15 6.918 21.934 8.345 124 HG3 GLU 15 3HG GLU 15 8.188 21.152 7.405 125 H ARG 16 H ARG 16 7.152 18.374 7.665 126 HA ARG 16 HA ARG 16 8.928 17.589 5.461 127 HE ARG 16 HE ARG 16 10.512 20.724 6.031 128 HB2 ARG 16 2HB ARG 16 9.806 19.411 7.281 129 HB3 ARG 16 3HB ARG 16 10.268 17.925 8.094 130 HG2 ARG 16 2HG ARG 16 12.121 18.740 6.804 131 HG3 ARG 16 3HG ARG 16 11.522 17.251 6.068 132 HD2 ARG 16 2HD ARG 16 12.055 19.030 4.413 133 HD3 ARG 16 3HD ARG 16 10.377 18.490 4.351 134 HH11 ARG 16 1HH1 ARG 16 11.077 20.005 2.718 135 HH12 ARG 16 2HH1 ARG 16 10.482 21.528 2.163 136 HH21 ARG 16 1HH2 ARG 16 9.743 22.687 5.315 137 HH22 ARG 16 2HH2 ARG 16 9.727 23.028 3.623 138 H VAL 17 H VAL 17 9.095 15.410 5.342 139 HA VAL 17 HA VAL 17 8.603 13.844 7.800 140 HB VAL 17 HB VAL 17 7.398 12.145 6.472 141 HG11 VAL 17 1HG1 VAL 17 6.194 14.911 6.319 142 HG12 VAL 17 2HG1 VAL 17 6.131 13.820 7.702 143 HG13 VAL 17 3HG1 VAL 17 5.303 13.392 6.205 144 HG21 VAL 17 3HG2 VAL 17 8.337 12.594 4.271 145 HG22 VAL 17 1HG2 VAL 17 7.559 14.177 4.238 146 HG23 VAL 17 2HG2 VAL 17 6.578 12.710 4.219 147 H TYR 18 H TYR 18 9.629 11.846 7.977 148 HA TYR 18 HA TYR 18 11.728 11.273 5.977 149 HD1 TYR 18 HD1 TYR 18 14.284 10.829 6.200 150 HD2 TYR 18 HD2 TYR 18 12.669 8.777 9.565 151 HE1 TYR 18 HE1 TYR 18 16.014 9.099 5.973 152 HE2 TYR 18 HE2 TYR 18 14.398 7.044 9.342 153 HH TYR 18 HH TYR 18 17.128 7.421 7.325 154 HB2 TYR 18 2HB TYR 18 12.773 11.960 8.051 155 HB3 TYR 18 3HB TYR 18 11.772 10.847 8.977 156 H ILE 19 H ILE 19 11.752 9.278 5.092 157 HA ILE 19 HA ILE 19 9.757 7.336 6.062 158 HB ILE 19 HB ILE 19 9.423 8.039 3.747 159 HG12 ILE 19 2HG1 ILE 19 10.469 5.195 3.944 160 HG13 ILE 19 3HG1 ILE 19 8.840 5.719 4.354 161 HG21 ILE 19 1HG2 ILE 19 12.195 6.958 3.214 162 HG22 ILE 19 2HG2 ILE 19 11.730 8.659 3.213 163 HG23 ILE 19 3HG2 ILE 19 11.067 7.563 2.000 164 HD11 ILE 19 3HD1 ILE 19 8.479 6.359 2.011 165 HD12 ILE 19 1HD1 ILE 19 8.862 4.647 2.196 166 HD13 ILE 19 2HD1 ILE 19 10.095 5.769 1.620 167 H THR 20 H THR 20 10.351 5.276 6.649 168 HA THR 20 HA THR 20 13.092 4.376 6.110 169 HB THR 20 HB THR 20 13.331 5.330 8.302 170 HG1 THR 20 HG1 THR 20 14.037 3.489 9.400 171 HG21 THR 20 3HG2 THR 20 10.992 5.386 9.001 172 HG22 THR 20 1HG2 THR 20 11.985 4.593 10.226 173 HG23 THR 20 2HG2 THR 20 10.977 3.629 9.145 174 H ALA 21 H ALA 21 13.244 2.275 5.631 175 HA ALA 21 HA ALA 21 11.029 0.460 6.290 176 HB1 ALA 21 3HB ALA 21 10.916 -0.388 4.010 177 HB2 ALA 21 1HB ALA 21 12.165 0.750 3.502 178 HB3 ALA 21 2HB ALA 21 10.593 1.345 4.032 179 HA PRO 22 HA PRO 22 14.434 -2.130 7.495 180 HB2 PRO 22 2HB PRO 22 13.129 -4.545 7.512 181 HB3 PRO 22 3HB PRO 22 12.966 -3.332 8.787 182 HG2 PRO 22 2HG PRO 22 11.168 -3.857 6.437 183 HG3 PRO 22 3HG PRO 22 10.732 -3.583 8.137 184 HD2 PRO 22 2HD PRO 22 10.536 -1.615 6.329 185 HD3 PRO 22 3HD PRO 22 11.090 -1.281 7.985 186 H ALA 23 H ALA 23 12.846 -2.417 4.471 187 HA ALA 23 HA ALA 23 15.158 -3.688 3.273 188 HB1 ALA 23 3HB ALA 23 13.839 -5.621 3.995 189 HB2 ALA 23 1HB ALA 23 13.901 -5.513 2.235 190 HB3 ALA 23 2HB ALA 23 12.449 -5.011 3.100 191 H GLY 24 H GLY 24 14.664 -4.024 0.797 192 HA2 GLY 24 2HA GLY 24 13.834 -1.510 -0.290 193 HA3 GLY 24 3HA GLY 24 14.285 -2.940 -1.208 194 H LEU 25 H LEU 25 11.653 -1.506 0.665 195 HA LEU 25 HA LEU 25 9.710 -3.350 -0.492 196 HG LEU 25 HG LEU 25 10.830 -2.955 2.418 197 HB2 LEU 25 2HB LEU 25 9.339 -1.160 1.558 198 HB3 LEU 25 3HB LEU 25 8.154 -2.382 1.125 199 HD11 LEU 25 1HD1 LEU 25 8.066 -2.908 3.628 200 HD12 LEU 25 2HD1 LEU 25 9.378 -1.776 3.958 201 HD13 LEU 25 3HD1 LEU 25 9.534 -3.464 4.432 202 HD21 LEU 25 3HD2 LEU 25 8.480 -4.763 1.839 203 HD22 LEU 25 1HD2 LEU 25 9.927 -5.214 2.743 204 HD23 LEU 25 2HD2 LEU 25 10.048 -4.797 1.033 205 H THR 26 H THR 26 8.554 -2.874 -2.227 206 HA THR 26 HA THR 26 8.682 -0.563 -3.752 207 HB THR 26 HB THR 26 6.577 -1.332 -4.850 208 HG1 THR 26 HG1 THR 26 5.275 -2.515 -3.675 209 HG21 THR 26 3HG2 THR 26 8.579 -3.531 -4.288 210 HG22 THR 26 1HG2 THR 26 8.730 -2.292 -5.536 211 HG23 THR 26 2HG2 THR 26 7.443 -3.494 -5.636 212 H ILE 27 H ILE 27 6.233 -1.457 -1.345 213 HA ILE 27 HA ILE 27 4.479 0.643 -1.484 214 HB ILE 27 HB ILE 27 4.211 -1.277 0.026 215 HG12 ILE 27 2HG1 ILE 27 3.352 -0.003 2.037 216 HG13 ILE 27 3HG1 ILE 27 4.065 1.449 1.343 217 HG21 ILE 27 1HG2 ILE 27 6.320 0.053 1.733 218 HG22 ILE 27 2HG2 ILE 27 6.485 -1.470 0.858 219 HG23 ILE 27 3HG2 ILE 27 5.349 -1.345 2.200 220 HD11 ILE 27 3HD1 ILE 27 1.700 1.337 0.862 221 HD12 ILE 27 1HD1 ILE 27 1.902 -0.242 0.102 222 HD13 ILE 27 2HD1 ILE 27 2.628 1.190 -0.630 223 H GLY 28 H GLY 28 7.717 0.663 -0.087 224 HA2 GLY 28 2HA GLY 28 7.469 3.320 1.028 225 HA3 GLY 28 3HA GLY 28 8.937 2.359 0.928 226 H SER 29 H SER 29 9.011 1.884 -1.833 227 HA SER 29 HA SER 29 10.338 4.134 -2.816 228 HG SER 29 HG SER 29 11.383 2.061 -2.954 229 HB2 SER 29 2HB SER 29 9.019 1.936 -4.440 230 HB3 SER 29 3HB SER 29 10.284 3.025 -5.010 231 H ASP 30 H ASP 30 6.997 3.068 -3.448 232 HA ASP 30 HA ASP 30 6.301 5.309 -5.052 233 HB2 ASP 30 2HB ASP 30 4.626 3.344 -3.478 234 HB3 ASP 30 3HB ASP 30 3.929 4.603 -4.496 235 H LEU 31 H LEU 31 5.980 4.626 -1.580 236 HA LEU 31 HA LEU 31 4.388 6.730 -0.773 237 HG LEU 31 HG LEU 31 5.803 7.523 1.911 238 HB2 LEU 31 2HB LEU 31 5.120 4.854 0.656 239 HB3 LEU 31 3HB LEU 31 6.724 5.557 0.740 240 HD11 LEU 31 1HD1 LEU 31 3.187 6.018 1.804 241 HD12 LEU 31 2HD1 LEU 31 3.555 7.534 0.982 242 HD13 LEU 31 3HD1 LEU 31 3.493 7.480 2.741 243 HD21 LEU 31 3HD2 LEU 31 5.282 6.401 4.030 244 HD22 LEU 31 1HD2 LEU 31 6.661 5.661 3.217 245 HD23 LEU 31 2HD2 LEU 31 5.083 4.874 3.169 246 H GLU 32 H GLU 32 7.946 6.760 -1.083 247 HA GLU 32 HA GLU 32 8.543 9.284 -0.151 248 HB2 GLU 32 2HB GLU 32 9.729 7.943 -2.595 249 HB3 GLU 32 3HB GLU 32 10.461 9.268 -1.702 250 HG2 GLU 32 2HG GLU 32 10.744 7.862 0.240 251 HG3 GLU 32 3HG GLU 32 9.899 6.535 -0.557 252 H ARG 33 H ARG 33 7.232 8.393 -3.289 253 HA ARG 33 HA ARG 33 7.481 11.079 -4.375 254 HE ARG 33 HE ARG 33 10.192 7.192 -6.431 255 HB2 ARG 33 2HB ARG 33 6.124 8.683 -5.631 256 HB3 ARG 33 3HB ARG 33 6.772 10.104 -6.447 257 HG2 ARG 33 2HG ARG 33 9.016 9.457 -5.968 258 HG3 ARG 33 3HG ARG 33 8.477 8.169 -4.892 259 HD2 ARG 33 2HD ARG 33 7.347 7.134 -6.907 260 HD3 ARG 33 3HD ARG 33 8.230 8.309 -7.889 261 HH11 ARG 33 1HH1 ARG 33 7.684 5.823 -8.343 262 HH12 ARG 33 2HH1 ARG 33 8.575 4.388 -8.690 263 HH21 ARG 33 1HH2 ARG 33 11.321 5.345 -6.852 264 HH22 ARG 33 2HH2 ARG 33 10.633 4.121 -7.858 265 H VAL 34 H VAL 34 4.873 8.854 -3.442 266 HA VAL 34 HA VAL 34 2.666 10.347 -4.238 267 HB VAL 34 HB VAL 34 2.923 8.492 -1.858 268 HG11 VAL 34 1HG1 VAL 34 0.434 9.509 -3.238 269 HG12 VAL 34 2HG1 VAL 34 0.954 9.896 -1.598 270 HG13 VAL 34 3HG1 VAL 34 0.479 8.248 -2.005 271 HG21 VAL 34 3HG2 VAL 34 3.483 7.437 -3.992 272 HG22 VAL 34 1HG2 VAL 34 1.951 7.984 -4.676 273 HG23 VAL 34 2HG2 VAL 34 1.961 6.807 -3.361 274 H ILE 35 H ILE 35 4.406 10.461 -1.127 275 HA ILE 35 HA ILE 35 2.778 12.488 0.031 276 HB ILE 35 HB ILE 35 5.621 11.661 0.661 277 HG12 ILE 35 2HG1 ILE 35 2.981 10.980 1.992 278 HG13 ILE 35 3HG1 ILE 35 3.962 9.887 1.020 279 HG21 ILE 35 1HG2 ILE 35 5.229 13.949 1.426 280 HG22 ILE 35 2HG2 ILE 35 5.345 12.844 2.794 281 HG23 ILE 35 3HG2 ILE 35 3.768 13.431 2.267 282 HD11 ILE 35 3HD1 ILE 35 4.241 9.435 3.382 283 HD12 ILE 35 1HD1 ILE 35 4.747 11.100 3.664 284 HD13 ILE 35 2HD1 ILE 35 5.752 10.026 2.690 285 H SER 36 H SER 36 6.040 12.662 -1.434 286 HA SER 36 HA SER 36 6.437 15.402 -1.058 287 HG SER 36 HG SER 36 8.020 15.868 -3.565 288 HB2 SER 36 2HB SER 36 8.250 13.831 -1.595 289 HB3 SER 36 3HB SER 36 7.615 13.643 -3.226 290 H THR 37 H THR 37 4.548 13.800 -3.489 291 HA THR 37 HA THR 37 4.409 16.209 -5.158 292 HB THR 37 HB THR 37 3.070 14.843 -6.716 293 HG1 THR 37 HG1 THR 37 3.485 12.397 -5.761 294 HG21 THR 37 3HG2 THR 37 5.633 13.504 -5.826 295 HG22 THR 37 1HG2 THR 37 5.502 14.847 -6.963 296 HG23 THR 37 2HG2 THR 37 4.839 13.267 -7.383 297 H HIS 38 H HIS 38 2.120 14.018 -3.480 298 HA HIS 38 HA HIS 38 -0.093 15.789 -4.070 299 HD1 HIS 38 HD1 HIS 38 -1.783 14.397 -5.621 300 HD2 HIS 38 HD2 HIS 38 0.692 11.339 -4.280 301 HE1 HIS 38 HE1 HIS 38 -1.587 12.804 -7.542 302 HE2 HIS 38 HE2 HIS 38 -0.301 10.855 -6.618 303 HB2 HIS 38 2HB HIS 38 -0.001 13.231 -2.460 304 HB3 HIS 38 3HB HIS 38 -1.472 14.102 -2.887 305 H THR 39 H THR 39 2.203 15.795 -1.618 306 HA THR 39 HA THR 39 0.436 17.584 -0.055 307 HB THR 39 HB THR 39 1.229 16.882 2.031 308 HG1 THR 39 HG1 THR 39 3.384 15.688 0.608 309 HG21 THR 39 3HG2 THR 39 -0.235 15.164 1.048 310 HG22 THR 39 1HG2 THR 39 0.944 14.464 2.156 311 HG23 THR 39 2HG2 THR 39 1.182 14.328 0.415 312 H ARG 40 H ARG 40 1.597 19.344 1.043 313 HA ARG 40 HA ARG 40 3.815 20.332 -0.481 314 HE ARG 40 HE ARG 40 5.582 24.315 -0.262 315 HB2 ARG 40 2HB ARG 40 2.005 21.741 0.634 316 HB3 ARG 40 3HB ARG 40 2.845 21.454 2.153 317 HG2 ARG 40 2HG ARG 40 3.476 23.604 1.203 318 HG3 ARG 40 3HG ARG 40 4.860 22.511 1.248 319 HD2 ARG 40 2HD ARG 40 4.392 21.950 -1.154 320 HD3 ARG 40 3HD ARG 40 3.167 23.219 -1.152 321 HH11 ARG 40 1HH1 ARG 40 4.191 23.028 -3.133 322 HH12 ARG 40 2HH1 ARG 40 5.209 23.957 -4.172 323 HH21 ARG 40 1HH2 ARG 40 6.910 25.472 -1.600 324 HH22 ARG 40 2HH2 ARG 40 6.740 25.321 -3.314 325 H ALA 41 H ALA 41 3.638 18.136 2.046 326 HA ALA 41 HA ALA 41 6.028 18.792 3.472 327 HB1 ALA 41 3HB ALA 41 4.513 16.184 3.312 328 HB2 ALA 41 1HB ALA 41 4.277 17.455 4.511 329 HB3 ALA 41 2HB ALA 41 5.795 16.558 4.465 330 H LYS 42 H LYS 42 8.097 18.292 3.015 331 HA LYS 42 HA LYS 42 8.610 16.704 0.587 332 HB2 LYS 42 2HB LYS 42 9.473 19.178 1.084 333 HB3 LYS 42 3HB LYS 42 10.763 18.311 1.905 334 HG2 LYS 42 2HG LYS 42 11.487 18.775 -0.322 335 HG3 LYS 42 3HG LYS 42 11.164 17.041 -0.213 336 HD2 LYS 42 2HD LYS 42 8.970 17.384 -1.261 337 HD3 LYS 42 3HD LYS 42 9.277 19.118 -1.351 338 HE2 LYS 42 2HE LYS 42 9.692 18.124 -3.506 339 HE3 LYS 42 3HE LYS 42 11.224 18.659 -2.816 340 HZ1 LYS 42 3HZ LYS 42 11.341 16.451 -3.845 341 HZ2 LYS 42 1HZ LYS 42 10.212 15.868 -2.732 342 HZ3 LYS 42 2HZ LYS 42 11.726 16.405 -2.201 343 H VAL 43 H VAL 43 9.864 14.894 0.618 344 HA VAL 43 HA VAL 43 10.388 13.677 3.205 345 HB VAL 43 HB VAL 43 10.862 12.533 0.439 346 HG11 VAL 43 1HG1 VAL 43 12.132 11.378 2.171 347 HG12 VAL 43 2HG1 VAL 43 10.822 10.353 1.583 348 HG13 VAL 43 3HG1 VAL 43 10.670 11.179 3.135 349 HG21 VAL 43 3HG2 VAL 43 8.722 11.373 0.721 350 HG22 VAL 43 1HG2 VAL 43 8.508 13.123 0.745 351 HG23 VAL 43 2HG2 VAL 43 8.464 12.208 2.253 352 H VAL 44 H VAL 44 12.270 14.007 4.221 353 HA VAL 44 HA VAL 44 14.691 14.670 2.695 354 HB VAL 44 HB VAL 44 15.718 15.139 4.914 355 HG11 VAL 44 1HG1 VAL 44 14.689 16.950 3.668 356 HG12 VAL 44 2HG1 VAL 44 14.418 17.174 5.395 357 HG13 VAL 44 3HG1 VAL 44 13.114 16.575 4.369 358 HG21 VAL 44 3HG2 VAL 44 14.440 13.604 6.294 359 HG22 VAL 44 1HG2 VAL 44 12.957 14.504 5.973 360 HG23 VAL 44 2HG2 VAL 44 14.258 15.249 6.904 361 H ASN 45 H ASN 45 16.788 13.652 3.459 362 HA ASN 45 HA ASN 45 16.411 10.761 3.441 363 HB2 ASN 45 2HB ASN 45 17.995 11.956 1.873 364 HB3 ASN 45 3HB ASN 45 19.029 12.268 3.265 365 HD21 ASN 45 1HD2 ASN 45 20.132 10.532 4.216 366 HD22 ASN 45 2HD2 ASN 45 20.301 9.010 3.417 367 H LYS 46 H LYS 46 16.823 13.066 5.837 368 HA LYS 46 HA LYS 46 17.549 10.974 7.735 369 HB2 LYS 46 2HB LYS 46 19.201 12.334 8.904 370 HB3 LYS 46 3HB LYS 46 19.689 12.024 7.248 371 HG2 LYS 46 2HG LYS 46 18.392 14.595 8.121 372 HG3 LYS 46 3HG LYS 46 20.134 14.335 8.136 373 HD2 LYS 46 2HD LYS 46 19.921 13.743 5.666 374 HD3 LYS 46 3HD LYS 46 18.281 14.393 5.761 375 HE2 LYS 46 2HE LYS 46 19.799 16.101 4.951 376 HE3 LYS 46 3HE LYS 46 19.201 16.541 6.550 377 HZ1 LYS 46 3HZ LYS 46 21.571 16.942 6.359 378 HZ2 LYS 46 1HZ LYS 46 21.851 15.326 5.961 379 HZ3 LYS 46 2HZ LYS 46 21.286 15.735 7.503 380 H ALA 47 H ALA 47 16.473 11.036 9.577 381 HA ALA 47 HA ALA 47 14.138 12.556 9.812 382 HB1 ALA 47 3HB ALA 47 15.556 10.992 11.964 383 HB2 ALA 47 1HB ALA 47 14.444 10.325 10.768 384 HB3 ALA 47 2HB ALA 47 13.862 11.481 11.965 385 H GLU 48 H GLU 48 17.325 13.112 11.181 386 HA GLU 48 HA GLU 48 16.742 14.876 13.244 387 HB2 GLU 48 2HB GLU 48 19.030 15.741 12.940 388 HB3 GLU 48 3HB GLU 48 18.972 13.985 12.872 389 HG2 GLU 48 2HG GLU 48 18.998 14.136 10.389 390 HG3 GLU 48 3HG GLU 48 19.217 15.878 10.538 391 H LYS 49 H LYS 49 16.432 15.419 9.844 392 HA LYS 49 HA LYS 49 15.980 18.307 10.314 393 HB2 LYS 49 2HB LYS 49 16.837 16.869 7.791 394 HB3 LYS 49 3HB LYS 49 16.397 18.570 7.850 395 HG2 LYS 49 2HG LYS 49 18.679 17.295 9.359 396 HG3 LYS 49 3HG LYS 49 18.823 18.250 7.882 397 HD2 LYS 49 2HD LYS 49 17.886 20.202 9.063 398 HD3 LYS 49 3HD LYS 49 17.763 19.240 10.539 399 HE2 LYS 49 2HE LYS 49 20.198 18.940 10.544 400 HE3 LYS 49 3HE LYS 49 20.325 19.898 9.069 401 HZ1 LYS 49 3HZ LYS 49 20.834 21.182 11.071 402 HZ2 LYS 49 1HZ LYS 49 19.275 20.893 11.665 403 HZ3 LYS 49 2HZ LYS 49 19.489 21.810 10.260 404 H SER 50 H SER 50 14.033 16.065 10.660 405 HA SER 50 HA SER 50 11.997 16.987 8.715 406 HG SER 50 HG SER 50 12.816 14.258 10.754 407 HB2 SER 50 2HB SER 50 11.004 14.785 8.670 408 HB3 SER 50 3HB SER 50 12.720 14.614 8.312 409 H GLU 51 H GLU 51 9.711 16.405 9.547 410 HA GLU 51 HA GLU 51 9.451 17.378 12.304 411 HB2 GLU 51 2HB GLU 51 7.302 17.056 10.193 412 HB3 GLU 51 3HB GLU 51 7.148 17.908 11.722 413 HG2 GLU 51 2HG GLU 51 9.017 18.723 9.505 414 HG3 GLU 51 3HG GLU 51 7.395 19.370 9.723 415 H ALA 52 H ALA 52 8.316 14.749 10.190 416 HA ALA 52 HA ALA 52 7.791 13.084 12.559 417 HB1 ALA 52 3HB ALA 52 5.821 13.405 10.287 418 HB2 ALA 52 1HB ALA 52 5.644 14.096 11.902 419 HB3 ALA 52 2HB ALA 52 5.643 12.345 11.687 420 H ILE 53 H ILE 53 7.589 10.763 12.046 421 HA ILE 53 HA ILE 53 9.086 10.012 9.602 422 HB ILE 53 HB ILE 53 9.266 8.796 12.369 423 HG12 ILE 53 2HG1 ILE 53 11.335 10.175 10.634 424 HG13 ILE 53 3HG1 ILE 53 10.588 10.839 12.086 425 HG21 ILE 53 1HG2 ILE 53 10.531 7.834 9.797 426 HG22 ILE 53 2HG2 ILE 53 9.296 7.001 10.742 427 HG23 ILE 53 3HG2 ILE 53 10.912 7.224 11.410 428 HD11 ILE 53 3HD1 ILE 53 12.798 10.043 12.590 429 HD12 ILE 53 1HD1 ILE 53 12.415 8.451 11.940 430 HD13 ILE 53 2HD1 ILE 53 11.612 9.024 13.401 431 H ILE 54 H ILE 54 8.160 8.537 8.304 432 HA ILE 54 HA ILE 54 5.894 6.946 9.325 433 HB ILE 54 HB ILE 54 6.707 7.508 6.452 434 HG12 ILE 54 2HG1 ILE 54 4.399 8.610 6.406 435 HG13 ILE 54 3HG1 ILE 54 4.405 8.497 8.162 436 HG21 ILE 54 1HG2 ILE 54 5.789 5.265 6.641 437 HG22 ILE 54 2HG2 ILE 54 4.630 6.321 5.835 438 HG23 ILE 54 3HG2 ILE 54 4.395 5.883 7.528 439 HD11 ILE 54 3HD1 ILE 54 5.054 10.708 7.379 440 HD12 ILE 54 1HD1 ILE 54 6.407 10.007 6.495 441 HD13 ILE 54 2HD1 ILE 54 6.370 9.928 8.257 442 H GLN 55 H GLN 55 6.529 5.027 10.086 443 HA GLN 55 HA GLN 55 8.793 3.637 8.800 444 HB2 GLN 55 2HB GLN 55 8.921 4.207 11.254 445 HB3 GLN 55 3HB GLN 55 7.582 3.106 11.528 446 HG2 GLN 55 2HG GLN 55 10.127 2.180 10.228 447 HG3 GLN 55 3HG GLN 55 9.976 2.288 11.977 448 HE21 GLN 55 1HE2 GLN 55 7.145 1.490 11.921 449 HE22 GLN 55 2HE2 GLN 55 7.147 -0.202 11.595 450 H ILE 56 H ILE 56 8.081 2.255 7.276 451 HA ILE 56 HA ILE 56 5.535 0.872 7.620 452 HB ILE 56 HB ILE 56 6.176 1.893 5.434 453 HG12 ILE 56 2HG1 ILE 56 4.532 -0.056 5.688 454 HG13 ILE 56 3HG1 ILE 56 5.175 0.243 4.081 455 HG21 ILE 56 1HG2 ILE 56 8.540 1.397 5.407 456 HG22 ILE 56 2HG2 ILE 56 7.766 0.734 3.968 457 HG23 ILE 56 3HG2 ILE 56 8.206 -0.331 5.303 458 HD11 ILE 56 3HD1 ILE 56 6.737 -1.617 4.366 459 HD12 ILE 56 1HD1 ILE 56 5.059 -2.126 4.554 460 HD13 ILE 56 2HD1 ILE 56 6.080 -1.917 5.974 461 H VAL 57 H VAL 57 5.317 -1.189 8.274 462 HA VAL 57 HA VAL 57 7.660 -2.533 9.306 463 HB VAL 57 HB VAL 57 4.779 -3.463 9.372 464 HG11 VAL 57 1HG1 VAL 57 7.157 -4.254 11.066 465 HG12 VAL 57 2HG1 VAL 57 6.390 -5.242 9.822 466 HG13 VAL 57 3HG1 VAL 57 5.499 -4.819 11.284 467 HG21 VAL 57 3HG2 VAL 57 6.306 -1.829 11.407 468 HG22 VAL 57 1HG2 VAL 57 4.688 -2.497 11.629 469 HG23 VAL 57 2HG2 VAL 57 4.971 -1.262 10.401 470 H HIS 58 H HIS 58 4.921 -3.866 7.419 471 HA HIS 58 HA HIS 58 6.723 -5.099 5.507 472 HD1 HIS 58 HD1 HIS 58 8.279 -7.516 5.517 473 HD2 HIS 58 HD2 HIS 58 7.079 -6.874 9.442 474 HE1 HIS 58 HE1 HIS 58 10.276 -8.072 6.928 475 HE2 HIS 58 HE2 HIS 58 9.577 -7.528 9.279 476 HB2 HIS 58 2HB HIS 58 5.148 -6.744 7.493 477 HB3 HIS 58 3HB HIS 58 5.630 -7.398 5.933 478 H ALA 59 H ALA 59 5.706 -5.832 3.626 479 HA ALA 59 HA ALA 59 2.808 -5.267 3.394 480 HB1 ALA 59 3HB ALA 59 4.215 -3.773 2.037 481 HB2 ALA 59 1HB ALA 59 3.188 -4.801 1.036 482 HB3 ALA 59 2HB ALA 59 4.902 -5.175 1.216 483 H ILE 60 H ILE 60 1.949 -7.283 3.802 484 HA ILE 60 HA ILE 60 3.259 -9.672 2.806 485 HB ILE 60 HB ILE 60 0.707 -9.393 4.416 486 HG12 ILE 60 2HG1 ILE 60 2.204 -10.394 6.244 487 HG13 ILE 60 3HG1 ILE 60 3.568 -10.003 5.207 488 HG21 ILE 60 1HG2 ILE 60 0.692 -11.457 3.127 489 HG22 ILE 60 2HG2 ILE 60 0.932 -11.809 4.838 490 HG23 ILE 60 3HG2 ILE 60 2.299 -11.869 3.723 491 HD11 ILE 60 3HD1 ILE 60 2.986 -7.637 5.325 492 HD12 ILE 60 1HD1 ILE 60 3.234 -8.324 6.930 493 HD13 ILE 60 2HD1 ILE 60 1.597 -8.027 6.342 494 H ARG 61 H ARG 61 2.769 -10.749 1.015 495 HA ARG 61 HA ARG 61 0.260 -10.137 -0.432 496 HE ARG 61 HE ARG 61 4.747 -10.981 -2.101 497 HB2 ARG 61 2HB ARG 61 2.723 -11.500 -1.546 498 HB3 ARG 61 3HB ARG 61 1.365 -10.843 -2.447 499 HG2 ARG 61 2HG ARG 61 2.028 -8.582 -1.847 500 HG3 ARG 61 3HG ARG 61 3.352 -9.214 -0.863 501 HD2 ARG 61 2HD ARG 61 3.024 -9.456 -3.857 502 HD3 ARG 61 3HD ARG 61 4.231 -8.502 -2.994 503 HH11 ARG 61 1HH1 ARG 61 4.297 -9.764 -5.294 504 HH12 ARG 61 2HH1 ARG 61 5.319 -10.960 -6.010 505 HH21 ARG 61 1HH2 ARG 61 6.060 -12.507 -3.036 506 HH22 ARG 61 2HH2 ARG 61 6.300 -12.494 -4.748 507 H GLU 62 H GLU 62 -1.132 -11.831 -1.009 508 HA GLU 62 HA GLU 62 -0.235 -14.556 -0.982 509 HB2 GLU 62 2HB GLU 62 -1.138 -13.599 1.472 510 HB3 GLU 62 3HB GLU 62 -2.535 -14.439 0.822 511 HG2 GLU 62 2HG GLU 62 0.218 -15.608 1.208 512 HG3 GLU 62 3HG GLU 62 -1.195 -15.905 2.221 513 H LYS 63 H LYS 63 -1.577 -15.949 -2.087 514 HA LYS 63 HA LYS 63 -4.152 -14.928 -3.063 515 HB2 LYS 63 2HB LYS 63 -3.577 -15.609 -5.382 516 HB3 LYS 63 3HB LYS 63 -2.597 -14.276 -4.789 517 HG2 LYS 63 2HG LYS 63 -0.745 -15.815 -4.355 518 HG3 LYS 63 3HG LYS 63 -1.724 -17.166 -4.928 519 HD2 LYS 63 2HD LYS 63 -0.900 -14.767 -6.578 520 HD3 LYS 63 3HD LYS 63 -0.147 -16.360 -6.641 521 HE2 LYS 63 2HE LYS 63 -2.285 -17.329 -7.376 522 HE3 LYS 63 3HE LYS 63 -3.018 -15.727 -7.334 523 HZ1 LYS 63 3HZ LYS 63 -0.739 -16.517 -9.066 524 HZ2 LYS 63 1HZ LYS 63 -1.495 -15.007 -9.048 525 HZ3 LYS 63 2HZ LYS 63 -2.341 -16.369 -9.572 526 H ARG 64 H ARG 64 -5.686 -16.423 -2.893 527 HA ARG 64 HA ARG 64 -5.038 -19.266 -3.228 528 HE ARG 64 HE ARG 64 -4.287 -17.233 0.303 529 HB2 ARG 64 2HB ARG 64 -6.218 -19.925 -1.204 530 HB3 ARG 64 3HB ARG 64 -4.890 -18.852 -0.803 531 HG2 ARG 64 2HG ARG 64 -7.734 -17.891 -1.066 532 HG3 ARG 64 3HG ARG 64 -7.058 -18.492 0.447 533 HD2 ARG 64 2HD ARG 64 -5.969 -16.169 -1.150 534 HD3 ARG 64 3HD ARG 64 -6.987 -16.030 0.284 535 HH11 ARG 64 1HH1 ARG 64 -6.747 -15.312 1.764 536 HH12 ARG 64 2HH1 ARG 64 -5.806 -14.998 3.180 537 HH21 ARG 64 1HH2 ARG 64 -3.106 -16.836 2.129 538 HH22 ARG 64 2HH2 ARG 64 -3.769 -15.845 3.386 539 H ILE 65 H ILE 65 -7.041 -20.637 -3.388 540 HA ILE 65 HA ILE 65 -8.834 -19.419 -5.251 541 HB ILE 65 HB ILE 65 -7.990 -21.937 -4.983 542 HG12 ILE 65 2HG1 ILE 65 -9.179 -21.059 -6.936 543 HG13 ILE 65 3HG1 ILE 65 -9.772 -22.658 -6.510 544 HG21 ILE 65 1HG2 ILE 65 -9.121 -22.389 -2.879 545 HG22 ILE 65 2HG2 ILE 65 -9.741 -23.430 -4.160 546 HG23 ILE 65 3HG2 ILE 65 -10.682 -22.038 -3.623 547 HD11 ILE 65 3HD1 ILE 65 -11.585 -21.208 -7.153 548 HD12 ILE 65 1HD1 ILE 65 -11.131 -20.041 -5.914 549 HD13 ILE 65 2HD1 ILE 65 -11.727 -21.635 -5.449 550 H LEU 66 H LEU 66 -10.839 -18.563 -4.946 551 HA LEU 66 HA LEU 66 -11.831 -18.437 -2.165 552 HG LEU 66 HG LEU 66 -14.131 -16.424 -2.786 553 HB2 LEU 66 2HB LEU 66 -11.131 -16.307 -3.184 554 HB3 LEU 66 3HB LEU 66 -12.302 -16.540 -4.470 555 HD11 LEU 66 1HD1 LEU 66 -12.880 -17.169 -0.824 556 HD12 LEU 66 2HD1 LEU 66 -13.642 -15.604 -0.535 557 HD13 LEU 66 3HD1 LEU 66 -11.912 -15.694 -0.869 558 HD21 LEU 66 3HD2 LEU 66 -13.984 -14.009 -2.407 559 HD22 LEU 66 1HD2 LEU 66 -13.484 -14.437 -4.044 560 HD23 LEU 66 2HD2 LEU 66 -12.270 -14.043 -2.826 561 H SER 67 H SER 67 -12.875 -19.020 -5.497 562 HA SER 67 HA SER 67 -15.272 -20.371 -4.493 563 HG SER 67 HG SER 67 -17.800 -18.708 -5.955 564 HB2 SER 67 2HB SER 67 -16.074 -18.089 -4.877 565 HB3 SER 67 3HB SER 67 -15.413 -18.106 -6.512 566 H LEU 68 H LEU 68 -15.911 -22.087 -5.763 567 HA LEU 68 HA LEU 68 -14.179 -22.674 -8.082 568 HG LEU 68 HG LEU 68 -13.584 -23.750 -5.267 569 HB2 LEU 68 2HB LEU 68 -15.726 -24.510 -6.246 570 HB3 LEU 68 3HB LEU 68 -14.871 -25.053 -7.678 571 HD11 LEU 68 1HD1 LEU 68 -12.643 -25.969 -4.838 572 HD12 LEU 68 2HD1 LEU 68 -13.575 -26.629 -6.183 573 HD13 LEU 68 3HD1 LEU 68 -14.405 -25.990 -4.764 574 HD21 LEU 68 3HD2 LEU 68 -12.388 -23.266 -7.351 575 HD22 LEU 68 1HD2 LEU 68 -12.342 -24.990 -7.729 576 HD23 LEU 68 2HD2 LEU 68 -11.468 -24.369 -6.327 577 H SER 69 H SER 69 -14.997 -23.311 -10.037 578 HA SER 69 HA SER 69 -17.907 -23.097 -10.484 579 HG SER 69 HG SER 69 -17.733 -21.968 -13.524 580 HB2 SER 69 2HB SER 69 -16.422 -21.681 -11.911 581 HB3 SER 69 3HB SER 69 -15.654 -23.144 -12.526 582 H GLU 70 H GLU 70 -19.040 -24.784 -11.555 583 HA GLU 70 HA GLU 70 -19.613 -26.963 -11.948 584 HB2 GLU 70 2HB GLU 70 -16.705 -27.215 -12.761 585 HB3 GLU 70 3HB GLU 70 -17.974 -28.367 -13.150 586 HG2 GLU 70 2HG GLU 70 -17.857 -25.503 -14.088 587 HG3 GLU 70 3HG GLU 70 -17.405 -26.916 -15.038 588 H SER 71 H SER 71 -18.147 -26.152 -9.322 589 HA SER 71 HA SER 71 -17.421 -27.076 -7.376 590 HG SER 71 HG SER 71 -19.716 -27.959 -6.468 591 HB2 SER 71 2HB SER 71 -18.670 -29.594 -8.517 592 HB3 SER 71 3HB SER 71 -18.122 -29.413 -6.851 593 H GLY 72 H GLY 72 -15.762 -27.234 -9.927 594 HA2 GLY 72 2HA GLY 72 -13.614 -28.870 -8.795 595 HA3 GLY 72 3HA GLY 72 -14.184 -29.324 -10.393 596 H ARG 73 H ARG 73 -14.614 -26.766 -11.478 597 HA ARG 73 HA ARG 73 -11.907 -25.899 -12.026 598 HE ARG 73 HE ARG 73 -13.182 -28.271 -15.778 599 HB2 ARG 73 2HB ARG 73 -14.555 -24.821 -13.027 600 HB3 ARG 73 3HB ARG 73 -12.972 -24.373 -13.649 601 HG2 ARG 73 2HG ARG 73 -14.183 -27.137 -13.758 602 HG3 ARG 73 3HG ARG 73 -14.110 -25.989 -15.095 603 HD2 ARG 73 2HD ARG 73 -11.664 -26.049 -15.020 604 HD3 ARG 73 3HD ARG 73 -11.727 -27.174 -13.663 605 HH11 ARG 73 1HH1 ARG 73 -9.917 -27.490 -15.015 606 HH12 ARG 73 2HH1 ARG 73 -9.269 -28.727 -16.035 607 HH21 ARG 73 1HH2 ARG 73 -12.348 -29.853 -17.068 608 HH22 ARG 73 2HH2 ARG 73 -10.635 -30.068 -17.170 609 H VAL 74 H VAL 74 -11.720 -23.317 -12.251 610 HA VAL 74 HA VAL 74 -12.263 -22.289 -9.539 611 HB VAL 74 HB VAL 74 -10.243 -21.323 -11.578 612 HG11 VAL 74 1HG1 VAL 74 -10.670 -20.526 -8.695 613 HG12 VAL 74 2HG1 VAL 74 -10.934 -19.517 -10.118 614 HG13 VAL 74 3HG1 VAL 74 -9.302 -20.031 -9.694 615 HG21 VAL 74 3HG2 VAL 74 -9.867 -22.988 -9.080 616 HG22 VAL 74 1HG2 VAL 74 -8.568 -22.338 -10.084 617 HG23 VAL 74 2HG2 VAL 74 -9.675 -23.542 -10.744 618 H ARG 75 H ARG 75 -13.550 -20.582 -9.183 619 HA ARG 75 HA ARG 75 -14.598 -19.001 -11.430 620 HE ARG 75 HE ARG 75 -19.423 -20.134 -10.818 621 HB2 ARG 75 2HB ARG 75 -15.480 -19.412 -8.583 622 HB3 ARG 75 3HB ARG 75 -16.020 -17.997 -9.468 623 HG2 ARG 75 2HG ARG 75 -17.081 -19.411 -11.133 624 HG3 ARG 75 3HG ARG 75 -16.494 -20.854 -10.300 625 HD2 ARG 75 2HD ARG 75 -17.818 -20.358 -8.362 626 HD3 ARG 75 3HD ARG 75 -18.262 -18.780 -9.007 627 HH11 ARG 75 1HH1 ARG 75 -18.964 -21.399 -7.649 628 HH12 ARG 75 2HH1 ARG 75 -20.473 -22.238 -7.649 629 HH21 ARG 75 1HH2 ARG 75 -21.347 -21.220 -10.808 630 HH22 ARG 75 2HH2 ARG 75 -21.812 -22.136 -9.415 631 H GLU 76 H GLU 76 -13.344 -18.398 -8.129 632 HA GLU 76 HA GLU 76 -12.295 -15.792 -9.026 633 HB2 GLU 76 2HB GLU 76 -13.907 -16.205 -6.495 634 HB3 GLU 76 3HB GLU 76 -13.219 -14.689 -7.059 635 HG2 GLU 76 2HG GLU 76 -14.714 -14.671 -8.961 636 HG3 GLU 76 3HG GLU 76 -15.353 -16.251 -8.508 637 H PHE 77 H PHE 77 -10.544 -14.978 -7.841 638 HA PHE 77 HA PHE 77 -9.316 -16.825 -5.880 639 HD1 PHE 77 HD1 PHE 77 -8.578 -18.465 -8.011 640 HD2 PHE 77 HD2 PHE 77 -5.484 -16.127 -6.245 641 HE1 PHE 77 HE1 PHE 77 -7.195 -20.484 -7.768 642 HE2 PHE 77 HE2 PHE 77 -4.099 -18.147 -6.000 643 HZ PHE 77 HZ PHE 77 -4.953 -20.330 -6.760 644 HB2 PHE 77 2HB PHE 77 -8.272 -15.858 -8.344 645 HB3 PHE 77 3HB PHE 77 -7.364 -15.060 -7.069 646 H GLU 78 H GLU 78 -8.622 -15.997 -3.954 647 HA GLU 78 HA GLU 78 -9.314 -13.219 -3.366 648 HB2 GLU 78 2HB GLU 78 -10.083 -14.944 -1.802 649 HB3 GLU 78 3HB GLU 78 -8.424 -15.460 -1.531 650 HG2 GLU 78 2HG GLU 78 -7.904 -13.266 -0.554 651 HG3 GLU 78 3HG GLU 78 -9.572 -12.761 -0.813 652 H LEU 79 H LEU 79 -7.751 -11.860 -4.060 653 HA LEU 79 HA LEU 79 -4.934 -12.399 -3.478 654 HG LEU 79 HG LEU 79 -6.670 -11.987 -6.180 655 HB2 LEU 79 2HB LEU 79 -6.169 -9.981 -4.811 656 HB3 LEU 79 3HB LEU 79 -4.472 -10.422 -4.805 657 HD11 LEU 79 1HD1 LEU 79 -6.270 -9.836 -7.265 658 HD12 LEU 79 2HD1 LEU 79 -5.683 -11.166 -8.262 659 HD13 LEU 79 3HD1 LEU 79 -4.542 -10.184 -7.342 660 HD21 LEU 79 3HD2 LEU 79 -4.820 -13.234 -7.210 661 HD22 LEU 79 1HD2 LEU 79 -4.842 -13.422 -5.456 662 HD23 LEU 79 2HD2 LEU 79 -3.669 -12.343 -6.212 663 H VAL 80 H VAL 80 -4.672 -12.141 -1.265 664 HA VAL 80 HA VAL 80 -5.745 -9.704 -0.025 665 HB VAL 80 HB VAL 80 -6.369 -11.719 1.135 666 HG11 VAL 80 1HG1 VAL 80 -4.729 -13.213 2.178 667 HG12 VAL 80 2HG1 VAL 80 -3.421 -12.304 1.422 668 HG13 VAL 80 3HG1 VAL 80 -4.570 -13.194 0.422 669 HG21 VAL 80 3HG2 VAL 80 -5.964 -9.740 2.501 670 HG22 VAL 80 1HG2 VAL 80 -4.273 -10.200 2.696 671 HG23 VAL 80 2HG2 VAL 80 -5.545 -11.204 3.391 672 H TYR 81 H TYR 81 -4.416 -8.045 -0.244 673 HA TYR 81 HA TYR 81 -1.540 -8.354 0.332 674 HD1 TYR 81 HD2 TYR 81 0.383 -7.681 -0.679 675 HD2 TYR 81 HD1 TYR 81 -1.863 -4.127 -1.365 676 HE1 TYR 81 HE2 TYR 81 2.467 -6.375 -0.727 677 HE2 TYR 81 HE1 TYR 81 0.213 -2.818 -1.415 678 HH TYR 81 HH TYR 81 2.471 -2.910 -0.733 679 HB2 TYR 81 2HB TYR 81 -2.172 -7.435 -1.887 680 HB3 TYR 81 3HB TYR 81 -3.008 -6.112 -1.086 681 H ARG 82 H ARG 82 -1.102 -7.911 2.422 682 HA ARG 82 HA ARG 82 -2.681 -5.828 3.801 683 HE ARG 82 HE ARG 82 -2.072 -10.406 4.967 684 HB2 ARG 82 2HB ARG 82 -1.300 -8.281 4.909 685 HB3 ARG 82 3HB ARG 82 -2.052 -7.041 5.904 686 HG2 ARG 82 2HG ARG 82 -4.221 -7.526 4.917 687 HG3 ARG 82 3HG ARG 82 -3.486 -8.722 3.850 688 HD2 ARG 82 2HD ARG 82 -3.478 -8.864 6.870 689 HD3 ARG 82 3HD ARG 82 -4.611 -9.720 5.824 690 HH11 ARG 82 1HH1 ARG 82 -3.977 -10.781 7.816 691 HH12 ARG 82 2HH1 ARG 82 -3.166 -12.231 8.292 692 HH21 ARG 82 1HH2 ARG 82 -1.089 -12.294 5.563 693 HH22 ARG 82 2HH2 ARG 82 -1.561 -13.088 7.023 694 H VAL 83 H VAL 83 -1.560 -3.973 3.827 695 HA VAL 83 HA VAL 83 1.338 -4.017 4.335 696 HB VAL 83 HB VAL 83 -0.442 -1.689 3.558 697 HG11 VAL 83 1HG1 VAL 83 1.661 -0.503 3.100 698 HG12 VAL 83 2HG1 VAL 83 2.575 -1.880 3.716 699 HG13 VAL 83 3HG1 VAL 83 1.530 -0.958 4.799 700 HG21 VAL 83 3HG2 VAL 83 0.608 -1.891 1.342 701 HG22 VAL 83 1HG2 VAL 83 -0.304 -3.339 1.770 702 HG23 VAL 83 2HG2 VAL 83 1.456 -3.339 1.881 703 H ALA 84 H ALA 84 2.032 -3.775 6.373 704 HA ALA 84 HA ALA 84 0.334 -2.349 8.326 705 HB1 ALA 84 3HB ALA 84 2.583 -4.299 8.851 706 HB2 ALA 84 1HB ALA 84 0.862 -4.692 8.876 707 HB3 ALA 84 2HB ALA 84 1.527 -3.567 10.062 708 H ALA 85 H ALA 85 1.011 -0.441 9.148 709 HA ALA 85 HA ALA 85 3.867 0.244 9.041 710 HB1 ALA 85 3HB ALA 85 1.705 2.071 7.991 711 HB2 ALA 85 1HB ALA 85 2.834 1.151 6.996 712 HB3 ALA 85 2HB ALA 85 3.432 2.421 8.064 713 H ARG 86 H ARG 86 4.395 2.204 10.305 714 HA ARG 86 HA ARG 86 2.486 2.811 12.470 715 HE ARG 86 HE ARG 86 3.793 1.061 16.029 716 HB2 ARG 86 2HB ARG 86 5.451 2.289 12.856 717 HB3 ARG 86 3HB ARG 86 4.313 2.757 14.114 718 HG2 ARG 86 2HG ARG 86 3.095 0.633 13.766 719 HG3 ARG 86 3HG ARG 86 4.296 0.168 12.559 720 HD2 ARG 86 2HD ARG 86 4.871 -0.897 14.625 721 HD3 ARG 86 3HD ARG 86 6.052 0.378 14.323 722 HH11 ARG 86 1HH1 ARG 86 7.117 0.166 15.828 723 HH12 ARG 86 2HH1 ARG 86 7.450 0.633 17.454 724 HH21 ARG 86 1HH2 ARG 86 4.233 1.621 18.115 725 HH22 ARG 86 2HH2 ARG 86 5.830 1.420 18.746 726 H LEU 87 H LEU 87 2.757 4.922 13.422 727 HA LEU 87 HA LEU 87 4.236 6.789 11.666 728 HG LEU 87 HG LEU 87 3.000 8.561 10.629 729 HB2 LEU 87 2HB LEU 87 1.622 6.688 11.707 730 HB3 LEU 87 3HB LEU 87 1.781 7.571 13.209 731 HD11 LEU 87 1HD1 LEU 87 1.037 9.945 10.305 732 HD12 LEU 87 2HD1 LEU 87 0.273 9.246 11.733 733 HD13 LEU 87 3HD1 LEU 87 0.581 8.240 10.316 734 HD21 LEU 87 3HD2 LEU 87 2.883 10.747 11.766 735 HD22 LEU 87 1HD2 LEU 87 3.890 9.594 12.643 736 HD23 LEU 87 2HD2 LEU 87 2.257 9.949 13.210 737 H LEU 88 H LEU 88 5.926 7.677 12.658 738 HA LEU 88 HA LEU 88 5.862 7.997 15.597 739 HG LEU 88 HG LEU 88 6.736 5.608 15.794 740 HB2 LEU 88 2HB LEU 88 8.241 7.356 13.841 741 HB3 LEU 88 3HB LEU 88 8.305 7.627 15.570 742 HD11 LEU 88 1HD1 LEU 88 6.007 5.457 13.473 743 HD12 LEU 88 2HD1 LEU 88 6.807 3.971 13.981 744 HD13 LEU 88 3HD1 LEU 88 7.663 5.130 12.962 745 HD21 LEU 88 3HD2 LEU 88 9.534 5.181 14.739 746 HD22 LEU 88 1HD2 LEU 88 8.594 4.022 15.679 747 HD23 LEU 88 2HD2 LEU 88 9.096 5.546 16.409 748 H ASP 89 H ASP 89 7.656 9.529 16.355 749 HA ASP 89 HA ASP 89 7.392 12.101 15.044 750 HB2 ASP 89 2HB ASP 89 7.188 12.065 17.443 751 HB3 ASP 89 3HB ASP 89 8.701 11.184 17.619 752 H ALA 90 H ALA 90 9.379 13.490 14.752 753 HA ALA 90 HA ALA 90 11.151 12.463 12.893 754 HB1 ALA 90 3HB ALA 90 10.706 14.854 13.233 755 HB2 ALA 90 1HB ALA 90 12.434 14.500 13.172 756 HB3 ALA 90 2HB ALA 90 11.650 14.808 14.722 757 H HIS 91 H HIS 91 11.356 12.178 16.343 758 HA HIS 91 HA HIS 91 14.163 11.301 16.193 759 HD1 HIS 91 HD1 HIS 91 15.889 13.119 17.789 760 HD2 HIS 91 HD2 HIS 91 12.010 14.599 18.009 761 HE1 HIS 91 HE1 HIS 91 16.105 15.609 17.572 762 HE2 HIS 91 HE2 HIS 91 13.766 16.489 17.833 763 HB2 HIS 91 2HB HIS 91 12.408 11.912 18.584 764 HB3 HIS 91 3HB HIS 91 14.092 11.405 18.676 765 H ASN 92 H ASN 92 11.783 9.714 15.248 766 HA ASN 92 HA ASN 92 11.124 7.543 15.160 767 HB2 ASN 92 2HB ASN 92 13.752 7.184 16.602 768 HB3 ASN 92 3HB ASN 92 12.750 5.821 16.105 769 HD21 ASN 92 1HD2 ASN 92 14.676 8.508 14.985 770 HD22 ASN 92 2HD2 ASN 92 14.866 7.941 13.365 771 H ALA 93 H ALA 93 10.421 9.257 17.558 772 HA ALA 93 HA ALA 93 9.846 7.271 19.606 773 HB1 ALA 93 3HB ALA 93 8.848 9.121 20.839 774 HB2 ALA 93 1HB ALA 93 9.003 10.170 19.428 775 HB3 ALA 93 2HB ALA 93 10.447 9.570 20.246 776 H GLU 94 H GLU 94 8.080 5.976 19.500 777 HA GLU 94 HA GLU 94 6.066 6.330 17.531 778 HB2 GLU 94 2HB GLU 94 4.950 4.407 18.562 779 HB3 GLU 94 3HB GLU 94 6.664 4.107 18.325 780 HG2 GLU 94 2HG GLU 94 7.092 4.480 20.684 781 HG3 GLU 94 3HG GLU 94 5.401 4.902 20.947 782 H LEU 95 H LEU 95 4.364 7.627 17.540 783 HA LEU 95 HA LEU 95 3.092 8.320 20.118 784 HG LEU 95 HG LEU 95 4.066 11.819 19.492 785 HB2 LEU 95 2HB LEU 95 3.693 10.064 17.749 786 HB3 LEU 95 3HB LEU 95 2.297 10.423 18.740 787 HD11 LEU 95 1HD1 LEU 95 2.683 10.879 21.256 788 HD12 LEU 95 2HD1 LEU 95 4.329 11.156 21.819 789 HD13 LEU 95 3HD1 LEU 95 3.796 9.520 21.427 790 HD21 LEU 95 3HD2 LEU 95 5.956 10.617 18.545 791 HD22 LEU 95 1HD2 LEU 95 5.780 9.353 19.762 792 HD23 LEU 95 2HD2 LEU 95 6.233 10.987 20.246 793 H ALA 96 H ALA 96 2.465 7.985 16.604 794 HA ALA 96 HA ALA 96 -0.394 7.618 17.214 795 HB1 ALA 96 3HB ALA 96 -0.793 8.146 14.853 796 HB2 ALA 96 1HB ALA 96 0.945 8.311 14.599 797 HB3 ALA 96 2HB ALA 96 0.101 9.428 15.670 798 H SER 97 H SER 97 -1.253 5.660 17.113 799 HA SER 97 HA SER 97 0.153 3.444 15.855 800 HG SER 97 HG SER 97 -3.338 3.718 16.732 801 HB2 SER 97 2HB SER 97 -1.722 2.067 16.783 802 HB3 SER 97 3HB SER 97 -0.895 3.019 18.015 803 H LEU 98 H LEU 98 -0.057 3.168 13.724 804 HA LEU 98 HA LEU 98 -2.454 4.102 12.333 805 HG LEU 98 HG LEU 98 -1.605 3.034 9.468 806 HB2 LEU 98 2HB LEU 98 -0.159 4.703 11.540 807 HB3 LEU 98 3HB LEU 98 0.128 3.009 11.190 808 HD11 LEU 98 1HD1 LEU 98 -3.155 4.624 10.449 809 HD12 LEU 98 2HD1 LEU 98 -2.700 5.156 8.831 810 HD13 LEU 98 3HD1 LEU 98 -1.986 5.930 10.247 811 HD21 LEU 98 3HD2 LEU 98 0.666 3.658 8.820 812 HD22 LEU 98 1HD2 LEU 98 0.327 5.349 9.202 813 HD23 LEU 98 2HD2 LEU 98 -0.520 4.553 7.872 814 H GLN 99 H GLN 99 -3.527 2.713 10.728 815 HA GLN 99 HA GLN 99 -4.038 0.111 11.895 816 HB2 GLN 99 2HB GLN 99 -5.357 1.529 9.566 817 HB3 GLN 99 3HB GLN 99 -5.888 -0.007 10.229 818 HG2 GLN 99 2HG GLN 99 -7.308 1.650 11.128 819 HG3 GLN 99 3HG GLN 99 -6.229 1.150 12.426 820 HE21 GLN 99 1HE2 GLN 99 -5.334 3.314 9.796 821 HE22 GLN 99 2HE2 GLN 99 -5.156 4.718 10.784 822 H GLU 100 H GLU 100 -4.476 -1.768 10.390 823 HA GLU 100 HA GLU 100 -2.198 -2.111 8.579 824 HB2 GLU 100 2HB GLU 100 -2.638 -4.510 8.706 825 HB3 GLU 100 3HB GLU 100 -2.473 -3.824 10.311 826 HG2 GLU 100 2HG GLU 100 -5.134 -4.395 9.019 827 HG3 GLU 100 3HG GLU 100 -4.275 -5.554 10.028 828 H ILE 101 H ILE 101 -2.515 -1.710 6.497 829 HA ILE 101 HA ILE 101 -5.145 -1.476 5.378 830 HB ILE 101 HB ILE 101 -2.491 -1.410 3.924 831 HG12 ILE 101 2HG1 ILE 101 -4.102 0.874 5.110 832 HG13 ILE 101 3HG1 ILE 101 -2.596 0.243 5.768 833 HG21 ILE 101 1HG2 ILE 101 -4.403 -1.720 2.433 834 HG22 ILE 101 2HG2 ILE 101 -3.715 -0.110 2.233 835 HG23 ILE 101 3HG2 ILE 101 -5.208 -0.322 3.149 836 HD11 ILE 101 3HD1 ILE 101 -1.407 0.950 3.775 837 HD12 ILE 101 1HD1 ILE 101 -2.255 2.304 4.522 838 HD13 ILE 101 2HD1 ILE 101 -2.913 1.542 3.074 839 H ARG 102 H ARG 102 -6.040 -3.547 5.569 840 HA ARG 102 HA ARG 102 -4.848 -5.744 4.070 841 HE ARG 102 HE ARG 102 -9.827 -4.915 7.356 842 HB2 ARG 102 2HB ARG 102 -6.810 -7.044 4.959 843 HB3 ARG 102 3HB ARG 102 -5.747 -6.370 6.187 844 HG2 ARG 102 2HG ARG 102 -7.347 -4.516 6.521 845 HG3 ARG 102 3HG ARG 102 -8.427 -5.261 5.341 846 HD2 ARG 102 2HD ARG 102 -8.569 -7.270 6.767 847 HD3 ARG 102 3HD ARG 102 -7.521 -6.490 7.955 848 HH11 ARG 102 1HH1 ARG 102 -8.718 -7.600 9.226 849 HH12 ARG 102 2HH1 ARG 102 -9.977 -7.427 10.398 850 HH21 ARG 102 1HH2 ARG 102 -11.414 -4.716 8.861 851 HH22 ARG 102 2HH2 ARG 102 -11.488 -5.816 10.192 852 H LEU 103 H LEU 103 -5.029 -5.236 1.916 853 HA LEU 103 HA LEU 103 -7.675 -4.581 0.822 854 HG LEU 103 HG LEU 103 -5.164 -2.708 1.125 855 HB2 LEU 103 2HB LEU 103 -4.945 -4.558 -0.480 856 HB3 LEU 103 3HB LEU 103 -6.439 -4.068 -1.256 857 HD11 LEU 103 1HD1 LEU 103 -5.393 -1.840 -1.757 858 HD12 LEU 103 2HD1 LEU 103 -3.916 -2.340 -0.932 859 HD13 LEU 103 3HD1 LEU 103 -4.747 -0.867 -0.434 860 HD21 LEU 103 3HD2 LEU 103 -6.879 -0.978 0.787 861 HD22 LEU 103 1HD2 LEU 103 -7.591 -2.533 1.220 862 HD23 LEU 103 2HD2 LEU 103 -7.635 -1.978 -0.454 863 H THR 104 H THR 104 -8.881 -6.337 0.367 864 HA THR 104 HA THR 104 -7.606 -8.686 -0.868 865 HB THR 104 HB THR 104 -9.814 -9.818 -0.489 866 HG1 THR 104 HG1 THR 104 -11.281 -8.187 -0.277 867 HG21 THR 104 3HG2 THR 104 -8.463 -8.656 1.953 868 HG22 THR 104 1HG2 THR 104 -7.968 -10.106 1.078 869 HG23 THR 104 2HG2 THR 104 -9.509 -10.078 1.939 870 H ARG 105 H ARG 105 -7.462 -8.491 -3.001 871 HA ARG 105 HA ARG 105 -9.700 -7.383 -4.553 872 HE ARG 105 HE ARG 105 -7.020 -3.538 -5.343 873 HB2 ARG 105 2HB ARG 105 -6.800 -7.855 -5.093 874 HB3 ARG 105 3HB ARG 105 -7.896 -7.964 -6.460 875 HG2 ARG 105 2HG ARG 105 -6.912 -5.747 -6.282 876 HG3 ARG 105 3HG ARG 105 -8.659 -5.690 -6.065 877 HD2 ARG 105 2HD ARG 105 -8.395 -5.476 -3.669 878 HD3 ARG 105 3HD ARG 105 -6.649 -5.681 -3.813 879 HH11 ARG 105 1HH1 ARG 105 -8.418 -4.231 -2.266 880 HH12 ARG 105 2HH1 ARG 105 -8.403 -2.576 -1.775 881 HH21 ARG 105 1HH2 ARG 105 -7.010 -1.436 -4.704 882 HH22 ARG 105 2HH2 ARG 105 -7.578 -1.004 -3.120 883 H ILE 106 H ILE 106 -11.192 -8.720 -5.370 884 HA ILE 106 HA ILE 106 -10.723 -11.583 -5.470 885 HB ILE 106 HB ILE 106 -13.151 -9.875 -6.026 886 HG12 ILE 106 2HG1 ILE 106 -14.127 -11.177 -4.169 887 HG13 ILE 106 3HG1 ILE 106 -12.647 -12.115 -4.035 888 HG21 ILE 106 1HG2 ILE 106 -14.420 -11.935 -6.495 889 HG22 ILE 106 2HG2 ILE 106 -12.913 -12.853 -6.482 890 HG23 ILE 106 3HG2 ILE 106 -13.186 -11.620 -7.715 891 HD11 ILE 106 3HD1 ILE 106 -12.834 -10.422 -2.299 892 HD12 ILE 106 1HD1 ILE 106 -12.894 -9.161 -3.529 893 HD13 ILE 106 2HD1 ILE 106 -11.438 -10.137 -3.337 894 H LEU 107 H LEU 107 -9.553 -12.327 -7.095 895 HA LEU 107 HA LEU 107 -9.376 -11.031 -9.652 896 HG LEU 107 HG LEU 107 -6.312 -13.064 -10.260 897 HB2 LEU 107 2HB LEU 107 -7.497 -12.187 -8.442 898 HB3 LEU 107 3HB LEU 107 -8.272 -13.715 -8.788 899 HD11 LEU 107 1HD1 LEU 107 -7.281 -13.942 -12.297 900 HD12 LEU 107 2HD1 LEU 107 -8.907 -13.640 -11.681 901 HD13 LEU 107 3HD1 LEU 107 -7.872 -14.832 -10.894 902 HD21 LEU 107 3HD2 LEU 107 -8.323 -11.148 -11.429 903 HD22 LEU 107 1HD2 LEU 107 -6.745 -11.541 -12.114 904 HD23 LEU 107 2HD2 LEU 107 -6.850 -10.714 -10.560 905 HA PRO 108 HA PRO 108 -12.789 -13.550 -11.331 906 HB2 PRO 108 2HB PRO 108 -13.187 -12.090 -13.558 907 HB3 PRO 108 3HB PRO 108 -13.730 -11.522 -11.975 908 HG2 PRO 108 2HG PRO 108 -11.260 -10.768 -13.506 909 HG3 PRO 108 3HG PRO 108 -12.400 -9.718 -12.640 910 HD2 PRO 108 2HD PRO 108 -10.015 -10.534 -11.583 911 HD3 PRO 108 3HD PRO 108 -11.437 -10.153 -10.593 912 H PHE 109 H PHE 109 -12.893 -15.080 -13.040 913 HA PHE 109 HA PHE 109 -10.343 -15.430 -14.486 914 HD1 PHE 109 HD2 PHE 109 -8.643 -17.824 -14.289 915 HD2 PHE 109 HD1 PHE 109 -11.101 -16.831 -10.962 916 HE1 PHE 109 HE2 PHE 109 -6.690 -18.006 -12.800 917 HE2 PHE 109 HE1 PHE 109 -9.156 -17.004 -9.465 918 HZ PHE 109 HZ PHE 109 -6.947 -17.594 -10.385 919 HB2 PHE 109 2HB PHE 109 -12.077 -17.427 -13.077 920 HB3 PHE 109 3HB PHE 109 -11.073 -17.945 -14.427 921 H LEU 110 H LEU 110 -10.924 -14.531 -16.464 922 HA LEU 110 HA LEU 110 -13.031 -15.703 -18.031 923 HG LEU 110 HG LEU 110 -12.166 -12.726 -17.639 924 HB2 LEU 110 2HB LEU 110 -10.567 -14.145 -18.850 925 HB3 LEU 110 3HB LEU 110 -11.832 -14.638 -19.960 926 HD11 LEU 110 1HD1 LEU 110 -12.154 -12.225 -20.618 927 HD12 LEU 110 2HD1 LEU 110 -10.878 -11.775 -19.485 928 HD13 LEU 110 3HD1 LEU 110 -12.469 -11.024 -19.363 929 HD21 LEU 110 3HD2 LEU 110 -14.415 -12.345 -18.548 930 HD22 LEU 110 1HD2 LEU 110 -14.201 -14.014 -18.025 931 HD23 LEU 110 2HD2 LEU 110 -14.149 -13.614 -19.742 932 H ASP 111 H ASP 111 -12.609 -17.035 -19.988 933 HA ASP 111 HA ASP 111 -11.095 -19.343 -19.425 934 HB2 ASP 111 2HB ASP 111 -13.074 -19.291 -20.926 935 HB3 ASP 111 3HB ASP 111 -12.140 -18.381 -22.108 936 H ALA 112 H ALA 112 -9.434 -20.193 -21.193 937 HA ALA 112 HA ALA 112 -7.025 -18.963 -20.784 938 HB1 ALA 112 3HB ALA 112 -6.125 -20.327 -22.599 939 HB2 ALA 112 1HB ALA 112 -7.761 -20.642 -23.184 940 HB3 ALA 112 2HB ALA 112 -7.254 -21.250 -21.607 941 H GLN 113 H GLN 113 -7.099 -16.737 -21.094 942 HA GLN 113 HA GLN 113 -6.897 -15.835 -23.902 943 HB2 GLN 113 2HB GLN 113 -7.939 -14.392 -21.452 944 HB3 GLN 113 3HB GLN 113 -7.477 -13.536 -22.917 945 HG2 GLN 113 2HG GLN 113 -9.577 -15.697 -22.797 946 HG3 GLN 113 3HG GLN 113 -9.912 -13.969 -22.713 947 HE21 GLN 113 1HE2 GLN 113 -10.755 -15.945 -24.694 948 HE22 GLN 113 2HE2 GLN 113 -10.195 -15.347 -26.214 949 H GLU 114 H GLU 114 -4.780 -15.622 -24.368 950 HA GLU 114 HA GLU 114 -2.823 -15.571 -22.292 951 HB2 GLU 114 2HB GLU 114 -1.178 -15.589 -24.155 952 HB3 GLU 114 3HB GLU 114 -2.385 -16.860 -24.259 953 HG2 GLU 114 2HG GLU 114 -3.628 -15.413 -25.893 954 HG3 GLU 114 3HG GLU 114 -2.230 -14.338 -25.890 955 H LEU 115 H LEU 115 -4.393 -13.021 -23.981 956 HA LEU 115 HA LEU 115 -2.335 -11.108 -23.083 957 HG LEU 115 HG LEU 115 -3.063 -9.962 -26.556 958 HB2 LEU 115 2HB LEU 115 -4.782 -10.611 -24.795 959 HB3 LEU 115 3HB LEU 115 -3.591 -9.406 -24.352 960 HD11 LEU 115 1HD1 LEU 115 -1.086 -9.940 -25.151 961 HD12 LEU 115 2HD1 LEU 115 -0.902 -11.089 -26.475 962 HD13 LEU 115 3HD1 LEU 115 -1.258 -11.670 -24.849 963 HD21 LEU 115 3HD2 LEU 115 -3.386 -12.873 -25.837 964 HD22 LEU 115 1HD2 LEU 115 -2.867 -12.254 -27.407 965 HD23 LEU 115 2HD2 LEU 115 -4.487 -11.898 -26.810 966 H ALA 116 H ALA 116 -5.816 -11.757 -22.815 967 HA ALA 116 HA ALA 116 -6.391 -9.550 -21.132 968 HB1 ALA 116 3HB ALA 116 -7.997 -12.065 -21.568 969 HB2 ALA 116 1HB ALA 116 -8.076 -10.602 -22.550 970 HB3 ALA 116 2HB ALA 116 -8.590 -10.560 -20.862 971 H LYS 117 H LYS 117 -5.906 -13.021 -20.356 972 HA LYS 117 HA LYS 117 -6.679 -12.831 -17.659 973 HB2 LYS 117 2HB LYS 117 -4.798 -14.795 -18.966 974 HB3 LYS 117 3HB LYS 117 -5.434 -14.954 -17.333 975 HG2 LYS 117 2HG LYS 117 -7.754 -14.686 -18.594 976 HG3 LYS 117 3HG LYS 117 -6.809 -15.298 -19.952 977 HD2 LYS 117 2HD LYS 117 -7.885 -17.139 -18.796 978 HD3 LYS 117 3HD LYS 117 -6.136 -17.240 -18.572 979 HE2 LYS 117 2HE LYS 117 -7.332 -17.684 -16.479 980 HE3 LYS 117 3HE LYS 117 -6.352 -16.227 -16.353 981 HZ1 LYS 117 3HZ LYS 117 -9.292 -16.371 -16.753 982 HZ2 LYS 117 1HZ LYS 117 -8.392 -14.938 -16.824 983 HZ3 LYS 117 2HZ LYS 117 -8.471 -15.811 -15.381 984 H ALA 118 H ALA 118 -3.430 -12.548 -19.105 985 HA ALA 118 HA ALA 118 -1.962 -12.099 -16.779 986 HB1 ALA 118 3HB ALA 118 -0.347 -10.934 -18.178 987 HB2 ALA 118 1HB ALA 118 -1.551 -10.759 -19.457 988 HB3 ALA 118 2HB ALA 118 -0.959 -12.360 -19.017 989 H ALA 119 H ALA 119 -3.892 -9.838 -18.707 990 HA ALA 119 HA ALA 119 -3.227 -7.497 -17.243 991 HB1 ALA 119 3HB ALA 119 -5.107 -6.461 -18.403 992 HB2 ALA 119 1HB ALA 119 -5.680 -8.050 -18.920 993 HB3 ALA 119 2HB ALA 119 -4.142 -7.427 -19.519 994 H GLU 120 H GLU 120 -5.832 -9.885 -16.910 995 HA GLU 120 HA GLU 120 -7.487 -8.581 -15.104 996 HB2 GLU 120 2HB GLU 120 -6.828 -11.539 -15.163 997 HB3 GLU 120 3HB GLU 120 -8.196 -10.822 -14.323 998 HG2 GLU 120 2HG GLU 120 -9.016 -9.985 -16.531 999 HG3 GLU 120 3HG GLU 120 -7.729 -10.912 -17.300 1000 H GLU 121 H GLU 121 -4.730 -10.724 -14.316 1001 HA GLU 121 HA GLU 121 -4.922 -10.197 -11.508 1002 HB2 GLU 121 2HB GLU 121 -3.990 -12.307 -12.300 1003 HB3 GLU 121 3HB GLU 121 -2.683 -11.456 -13.112 1004 HG2 GLU 121 2HG GLU 121 -1.738 -10.760 -11.032 1005 HG3 GLU 121 3HG GLU 121 -3.137 -11.345 -10.138 1006 H GLU 122 H GLU 122 -2.749 -9.034 -14.085 1007 HA GLU 122 HA GLU 122 -0.997 -7.511 -12.567 1008 HB2 GLU 122 2HB GLU 122 -1.926 -7.439 -15.386 1009 HB3 GLU 122 3HB GLU 122 -1.138 -5.984 -14.796 1010 HG2 GLU 122 2HG GLU 122 0.064 -8.744 -14.630 1011 HG3 GLU 122 3HG GLU 122 0.384 -7.590 -15.925 1012 H MET 123 H MET 123 -4.063 -6.388 -14.028 1013 HA MET 123 HA MET 123 -3.867 -3.727 -13.186 1014 HB2 MET 123 2HB MET 123 -6.312 -5.395 -13.797 1015 HB3 MET 123 3HB MET 123 -6.354 -3.658 -13.531 1016 HG2 MET 123 2HG MET 123 -4.852 -5.077 -15.723 1017 HG3 MET 123 3HG MET 123 -6.353 -4.175 -15.904 1018 HE1 MET 123 3HE MET 123 -6.531 -1.522 -15.741 1019 HE2 MET 123 1HE MET 123 -5.204 -0.503 -15.186 1020 HE3 MET 123 2HE MET 123 -5.948 -1.661 -14.082 1021 H LEU 124 H LEU 124 -4.915 -6.556 -11.406 1022 HA LEU 124 HA LEU 124 -6.010 -4.971 -9.230 1023 HG LEU 124 HG LEU 124 -7.407 -7.242 -10.893 1024 HB2 LEU 124 2HB LEU 124 -5.541 -7.943 -9.490 1025 HB3 LEU 124 3HB LEU 124 -6.270 -7.179 -8.089 1026 HD11 LEU 124 1HD1 LEU 124 -7.624 -9.344 -9.647 1027 HD12 LEU 124 2HD1 LEU 124 -9.188 -8.567 -9.897 1028 HD13 LEU 124 3HD1 LEU 124 -8.398 -8.476 -8.320 1029 HD21 LEU 124 3HD2 LEU 124 -9.343 -6.065 -9.965 1030 HD22 LEU 124 1HD2 LEU 124 -7.882 -5.087 -9.822 1031 HD23 LEU 124 2HD2 LEU 124 -8.525 -5.926 -8.409 1032 H TYR 125 H TYR 125 -3.063 -6.842 -9.850 1033 HA TYR 125 HA TYR 125 -1.927 -6.640 -7.282 1034 HD1 TYR 125 HD2 TYR 125 -2.870 -8.677 -8.352 1035 HD2 TYR 125 HD1 TYR 125 1.376 -8.887 -8.589 1036 HE1 TYR 125 HE2 TYR 125 -2.950 -11.023 -7.633 1037 HE2 TYR 125 HE1 TYR 125 1.303 -11.236 -7.870 1038 HH TYR 125 HH TYR 125 -1.508 -13.056 -7.874 1039 HB2 TYR 125 2HB TYR 125 -0.837 -7.127 -10.025 1040 HB3 TYR 125 3HB TYR 125 0.295 -6.779 -8.723 1041 H LYS 126 H LYS 126 -1.225 -4.624 -10.161 1042 HA LYS 126 HA LYS 126 0.321 -2.734 -8.724 1043 HB2 LYS 126 2HB LYS 126 0.153 -1.336 -10.723 1044 HB3 LYS 126 3HB LYS 126 0.527 -3.002 -11.137 1045 HG2 LYS 126 2HG LYS 126 -1.919 -3.323 -11.633 1046 HG3 LYS 126 3HG LYS 126 -2.110 -1.581 -11.442 1047 HD2 LYS 126 2HD LYS 126 -1.866 -1.951 -13.767 1048 HD3 LYS 126 3HD LYS 126 -0.315 -1.319 -13.218 1049 HE2 LYS 126 2HE LYS 126 -0.933 -4.248 -13.652 1050 HE3 LYS 126 3HE LYS 126 -0.105 -3.215 -14.811 1051 HZ1 LYS 126 3HZ LYS 126 1.626 -2.858 -13.099 1052 HZ2 LYS 126 1HZ LYS 126 1.497 -4.467 -13.599 1053 HZ3 LYS 126 2HZ LYS 126 0.854 -3.991 -12.113 1054 H ASP 127 H ASP 127 -3.093 -3.162 -8.977 1055 HA ASP 127 HA ASP 127 -3.787 -0.494 -8.168 1056 HB2 ASP 127 2HB ASP 127 -5.452 -1.833 -9.330 1057 HB3 ASP 127 3HB ASP 127 -5.397 -3.056 -8.059 1058 H MET 128 H MET 128 -3.796 -3.637 -6.426 1059 HA MET 128 HA MET 128 -4.450 -2.557 -3.929 1060 HB2 MET 128 2HB MET 128 -3.704 -4.666 -2.962 1061 HB3 MET 128 3HB MET 128 -4.631 -4.946 -4.428 1062 HG2 MET 128 2HG MET 128 -2.535 -5.293 -5.667 1063 HG3 MET 128 3HG MET 128 -1.632 -5.060 -4.170 1064 HE1 MET 128 3HE MET 128 -0.394 -7.351 -4.331 1065 HE2 MET 128 1HE MET 128 -1.158 -7.655 -5.891 1066 HE3 MET 128 2HE MET 128 -1.194 -8.893 -4.635 1067 H GLN 129 H GLN 129 -1.327 -2.827 -5.521 1068 HA GLN 129 HA GLN 129 0.225 -2.068 -3.231 1069 HB2 GLN 129 2HB GLN 129 0.875 -3.146 -5.623 1070 HB3 GLN 129 3HB GLN 129 1.236 -1.464 -5.975 1071 HG2 GLN 129 2HG GLN 129 2.421 -3.113 -3.744 1072 HG3 GLN 129 3HG GLN 129 3.219 -2.666 -5.248 1073 HE21 GLN 129 1HE2 GLN 129 3.913 -0.521 -5.523 1074 HE22 GLN 129 2HE2 GLN 129 4.080 0.557 -4.186 1075 H LYS 130 H LYS 130 -0.855 -0.296 -6.140 1076 HA LYS 130 HA LYS 130 0.012 2.269 -5.417 1077 HB2 LYS 130 2HB LYS 130 -0.784 1.614 -7.674 1078 HB3 LYS 130 3HB LYS 130 -2.425 1.511 -7.054 1079 HG2 LYS 130 2HG LYS 130 -2.222 3.953 -6.442 1080 HG3 LYS 130 3HG LYS 130 -0.714 3.972 -7.357 1081 HD2 LYS 130 2HD LYS 130 -3.432 3.224 -8.460 1082 HD3 LYS 130 3HD LYS 130 -2.638 4.782 -8.676 1083 HE2 LYS 130 2HE LYS 130 -2.243 3.602 -10.671 1084 HE3 LYS 130 3HE LYS 130 -0.734 3.492 -9.771 1085 HZ1 LYS 130 3HZ LYS 130 -2.797 1.361 -9.746 1086 HZ2 LYS 130 1HZ LYS 130 -1.200 1.260 -9.186 1087 HZ3 LYS 130 2HZ LYS 130 -1.509 1.392 -10.843 1088 H ASP 131 H ASP 131 -3.309 1.016 -5.229 1089 HA ASP 131 HA ASP 131 -4.608 2.917 -3.806 1090 HB2 ASP 131 2HB ASP 131 -5.521 0.737 -4.730 1091 HB3 ASP 131 3HB ASP 131 -4.923 -0.051 -3.275 1092 H ALA 132 H ALA 132 -2.713 0.241 -2.373 1093 HA ALA 132 HA ALA 132 -3.118 0.719 0.309 1094 HB1 ALA 132 3HB ALA 132 -0.550 -0.215 -0.970 1095 HB2 ALA 132 1HB ALA 132 -1.931 -1.232 -0.559 1096 HB3 ALA 132 2HB ALA 132 -1.010 -0.436 0.719 1097 H VAL 133 H VAL 133 -0.381 2.063 -1.616 1098 HA VAL 133 HA VAL 133 0.607 3.641 0.517 1099 HB VAL 133 HB VAL 133 2.003 3.047 -1.426 1100 HG11 VAL 133 1HG1 VAL 133 1.820 4.331 -3.524 1101 HG12 VAL 133 2HG1 VAL 133 0.312 5.041 -2.940 1102 HG13 VAL 133 3HG1 VAL 133 0.416 3.304 -3.233 1103 HG21 VAL 133 3HG2 VAL 133 3.165 5.180 -1.641 1104 HG22 VAL 133 1HG2 VAL 133 2.645 4.912 0.024 1105 HG23 VAL 133 2HG2 VAL 133 1.752 6.028 -1.011 1106 H GLN 134 H GLN 134 -1.834 4.274 -1.935 1107 HA GLN 134 HA GLN 134 -2.114 7.065 -1.388 1108 HB2 GLN 134 2HB GLN 134 -4.195 5.181 -2.529 1109 HB3 GLN 134 3HB GLN 134 -4.181 6.935 -2.660 1110 HG2 GLN 134 2HG GLN 134 -2.199 5.032 -3.903 1111 HG3 GLN 134 3HG GLN 134 -3.476 5.908 -4.741 1112 HE21 GLN 134 1HE2 GLN 134 -0.565 5.921 -5.124 1113 HE22 GLN 134 2HE2 GLN 134 -0.087 7.571 -4.982 1114 H GLN 135 H GLN 135 -3.469 4.136 0.018 1115 HA GLN 135 HA GLN 135 -5.402 5.374 1.695 1116 HB2 GLN 135 2HB GLN 135 -3.872 2.807 2.197 1117 HB3 GLN 135 3HB GLN 135 -5.362 3.294 2.991 1118 HG2 GLN 135 2HG GLN 135 -5.115 2.775 0.035 1119 HG3 GLN 135 3HG GLN 135 -5.622 1.570 1.211 1120 HE21 GLN 135 1HE2 GLN 135 -7.590 1.358 0.139 1121 HE22 GLN 135 2HE2 GLN 135 -8.842 2.536 0.292 1122 H ILE 136 H ILE 136 -2.035 4.334 2.269 1123 HA ILE 136 HA ILE 136 -1.638 5.255 4.848 1124 HB ILE 136 HB ILE 136 0.336 5.443 2.550 1125 HG12 ILE 136 2HG1 ILE 136 -0.080 3.236 4.594 1126 HG13 ILE 136 3HG1 ILE 136 -0.536 3.156 2.896 1127 HG21 ILE 136 1HG2 ILE 136 0.831 5.448 5.534 1128 HG22 ILE 136 2HG2 ILE 136 1.036 6.815 4.440 1129 HG23 ILE 136 3HG2 ILE 136 2.078 5.401 4.287 1130 HD11 ILE 136 3HD1 ILE 136 1.522 1.945 3.332 1131 HD12 ILE 136 1HD1 ILE 136 2.272 3.417 3.948 1132 HD13 ILE 136 2HD1 ILE 136 1.806 3.308 2.249 1133 H LEU 137 H LEU 137 -1.055 7.083 1.839 1134 HA LEU 137 HA LEU 137 -0.488 9.584 2.852 1135 HG LEU 137 HG LEU 137 -2.231 11.341 1.034 1136 HB2 LEU 137 2HB LEU 137 -0.376 9.019 0.475 1137 HB3 LEU 137 3HB LEU 137 -2.122 8.879 0.408 1138 HD11 LEU 137 1HD1 LEU 137 0.017 11.558 1.942 1139 HD12 LEU 137 2HD1 LEU 137 -0.247 12.689 0.619 1140 HD13 LEU 137 3HD1 LEU 137 0.706 11.228 0.352 1141 HD21 LEU 137 3HD2 LEU 137 -2.634 10.556 -1.241 1142 HD22 LEU 137 1HD2 LEU 137 -0.904 10.618 -1.582 1143 HD23 LEU 137 2HD2 LEU 137 -1.791 12.105 -1.243 1144 H ARG 138 H ARG 138 -3.699 8.182 2.242 1145 HA ARG 138 HA ARG 138 -5.084 10.616 2.809 1146 HE ARG 138 HE ARG 138 -9.247 11.359 1.149 1147 HB2 ARG 138 2HB ARG 138 -5.799 8.612 1.309 1148 HB3 ARG 138 3HB ARG 138 -6.418 7.921 2.803 1149 HG2 ARG 138 2HG ARG 138 -8.181 9.078 1.596 1150 HG3 ARG 138 3HG ARG 138 -7.843 9.897 3.123 1151 HD2 ARG 138 2HD ARG 138 -6.414 11.514 1.891 1152 HD3 ARG 138 3HD ARG 138 -6.865 10.720 0.382 1153 HH11 ARG 138 1HH1 ARG 138 -6.395 13.229 1.656 1154 HH12 ARG 138 2HH1 ARG 138 -7.247 14.732 1.638 1155 HH21 ARG 138 1HH2 ARG 138 -10.322 13.308 1.073 1156 HH22 ARG 138 2HH2 ARG 138 -9.441 14.776 1.299 1157 H GLN 139 H GLN 139 -4.043 7.948 4.808 1158 HA GLN 139 HA GLN 139 -5.779 8.787 7.004 1159 HB2 GLN 139 2HB GLN 139 -3.721 6.573 6.860 1160 HB3 GLN 139 3HB GLN 139 -4.710 6.924 8.273 1161 HG2 GLN 139 2HG GLN 139 -6.721 6.601 6.716 1162 HG3 GLN 139 3HG GLN 139 -5.573 5.868 5.598 1163 HE21 GLN 139 1HE2 GLN 139 -7.849 4.696 6.989 1164 HE22 GLN 139 2HE2 GLN 139 -7.227 3.367 7.897 1165 H VAL 140 H VAL 140 -2.270 8.661 6.329 1166 HA VAL 140 HA VAL 140 -1.317 9.751 8.704 1167 HB VAL 140 HB VAL 140 -0.231 10.108 5.896 1168 HG11 VAL 140 1HG1 VAL 140 1.910 10.698 6.948 1169 HG12 VAL 140 2HG1 VAL 140 1.140 10.659 8.537 1170 HG13 VAL 140 3HG1 VAL 140 0.650 11.867 7.348 1171 HG21 VAL 140 3HG2 VAL 140 -0.355 7.781 6.645 1172 HG22 VAL 140 1HG2 VAL 140 0.541 8.194 8.107 1173 HG23 VAL 140 2HG2 VAL 140 1.320 8.317 6.530 1174 H SER 141 H SER 141 -2.506 11.441 5.815 1175 HA SER 141 HA SER 141 -2.084 14.071 6.831 1176 HG SER 141 HG SER 141 -3.777 12.235 3.966 1177 HB2 SER 141 2HB SER 141 -3.600 14.793 4.995 1178 HB3 SER 141 3HB SER 141 -2.328 13.707 4.433 1179 H ALA 142 H ALA 142 -4.847 11.860 6.891 1180 HA ALA 142 HA ALA 142 -6.788 13.639 7.875 1181 HB1 ALA 142 3HB ALA 142 -7.302 11.449 6.873 1182 HB2 ALA 142 1HB ALA 142 -8.084 11.668 8.439 1183 HB3 ALA 142 2HB ALA 142 -6.648 10.655 8.303 1184 H PHE 143 H PHE 143 -4.132 12.164 9.515 1185 HA PHE 143 HA PHE 143 -5.089 12.015 12.139 1186 HD1 PHE 143 HD1 PHE 143 -3.605 10.915 14.139 1187 HD2 PHE 143 HD2 PHE 143 -2.287 9.979 10.198 1188 HE1 PHE 143 HE1 PHE 143 -3.567 8.521 14.720 1189 HE2 PHE 143 HE2 PHE 143 -2.252 7.586 10.774 1190 HZ PHE 143 HZ PHE 143 -2.890 6.852 13.034 1191 HB2 PHE 143 2HB PHE 143 -2.400 12.228 10.892 1192 HB3 PHE 143 3HB PHE 143 -2.507 12.615 12.606 1193 H THR 144 H THR 144 -4.544 14.828 10.270 1194 HA THR 144 HA THR 144 -4.104 16.590 12.527 1195 HB THR 144 HB THR 144 -3.184 17.143 10.291 1196 HG1 THR 144 HG1 THR 144 -3.526 18.886 11.695 1197 HG21 THR 144 3HG2 THR 144 -4.674 17.998 8.535 1198 HG22 THR 144 1HG2 THR 144 -6.076 17.585 9.521 1199 HG23 THR 144 2HG2 THR 144 -5.027 16.310 8.905 1200 H SER 145 H SER 145 -6.735 14.900 11.794 1201 HA SER 145 HA SER 145 -8.609 17.040 12.579 1202 HG SER 145 HG SER 145 -8.063 16.433 9.356 1203 HB2 SER 145 2HB SER 145 -9.147 14.951 10.448 1204 HB3 SER 145 3HB SER 145 -10.291 16.169 11.014 1205 H ALA 146 H ALA 146 -9.874 16.525 14.251 1206 HA ALA 146 HA ALA 146 -11.044 15.378 15.825 1207 HB1 ALA 146 3HB ALA 146 -12.189 14.354 13.924 1208 HB2 ALA 146 1HB ALA 146 -12.017 13.210 15.257 1209 HB3 ALA 146 2HB ALA 146 -10.956 13.094 13.852 1210 H GLY 147 H GLY 147 -8.006 15.179 15.614 1211 HA2 GLY 147 2HA GLY 147 -7.344 12.597 16.748 1212 HA3 GLY 147 3HA GLY 147 -6.248 13.945 16.505 1213 H LEU 148 H LEU 148 -9.197 13.425 18.474 1214 HA LEU 148 HA LEU 148 -8.041 14.928 20.660 1215 HG LEU 148 HG LEU 148 -10.067 13.847 22.840 1216 HB2 LEU 148 2HB LEU 148 -10.423 15.147 20.125 1217 HB3 LEU 148 3HB LEU 148 -10.668 13.445 20.473 1218 HD11 LEU 148 1HD1 LEU 148 -9.926 16.749 22.025 1219 HD12 LEU 148 2HD1 LEU 148 -8.579 15.747 22.568 1220 HD13 LEU 148 3HD1 LEU 148 -9.888 16.144 23.681 1221 HD21 LEU 148 3HD2 LEU 148 -12.090 15.099 23.456 1222 HD22 LEU 148 1HD2 LEU 148 -12.407 13.911 22.192 1223 HD23 LEU 148 2HD2 LEU 148 -12.271 15.621 21.781 1224 H GLU 149 H GLU 149 -6.616 14.028 21.956 1225 HA GLU 149 HA GLU 149 -6.285 11.210 22.305 1226 HB2 GLU 149 2HB GLU 149 -4.520 11.874 23.914 1227 HB3 GLU 149 3HB GLU 149 -4.381 12.722 22.378 1228 HG2 GLU 149 2HG GLU 149 -5.376 14.708 23.337 1229 HG3 GLU 149 3HG GLU 149 -5.655 13.868 24.860 1230 H HIS 150 H HIS 150 -8.505 13.277 23.717 1231 HA HIS 150 HA HIS 150 -8.189 12.619 26.472 1232 HD1 HIS 150 HD1 HIS 150 -12.334 14.657 26.718 1233 HD2 HIS 150 HD2 HIS 150 -8.758 13.755 28.635 1234 HE1 HIS 150 HE1 HIS 150 -12.792 14.946 29.163 1235 HE2 HIS 150 HE2 HIS 150 -10.580 14.552 30.286 1236 HB2 HIS 150 2HB HIS 150 -9.172 14.741 25.579 1237 HB3 HIS 150 3HB HIS 150 -10.609 13.835 25.125 1238 H HIS 151 H HIS 151 -9.134 10.492 24.203 1239 HA HIS 151 HA HIS 151 -10.708 8.969 26.139 1240 HD1 HIS 151 HD1 HIS 151 -13.053 11.800 23.749 1241 HD2 HIS 151 HD2 HIS 151 -13.322 9.247 27.015 1242 HE1 HIS 151 HE1 HIS 151 -14.603 12.936 25.364 1243 HE2 HIS 151 HE2 HIS 151 -14.607 11.456 27.400 1244 HB2 HIS 151 2HB HIS 151 -11.740 9.739 23.407 1245 HB3 HIS 151 3HB HIS 151 -12.371 8.352 24.289 1246 H HIS 152 H HIS 152 -7.993 8.654 24.892 1247 HA HIS 152 HA HIS 152 -8.292 6.437 23.052 1248 HD1 HIS 152 HD1 HIS 152 -5.353 6.248 25.952 1249 HD2 HIS 152 HD2 HIS 152 -4.915 9.791 23.841 1250 HE1 HIS 152 HE1 HIS 152 -3.856 7.679 27.356 1251 HE2 HIS 152 HE2 HIS 152 -3.741 9.871 26.142 1252 HB2 HIS 152 2HB HIS 152 -5.807 6.305 23.096 1253 HB3 HIS 152 3HB HIS 152 -6.416 7.893 22.662 1254 H HIS 153 H HIS 153 -8.787 4.441 23.692 1255 HA HIS 153 HA HIS 153 -8.450 3.509 26.358 1256 HD1 HIS 153 HD1 HIS 153 -7.808 0.102 23.576 1257 HD2 HIS 153 HD2 HIS 153 -10.243 3.197 22.247 1258 HE1 HIS 153 HE1 HIS 153 -7.923 -0.155 21.082 1259 HE2 HIS 153 HE2 HIS 153 -9.508 1.642 20.320 1260 HB2 HIS 153 2HB HIS 153 -9.090 1.276 25.455 1261 HB3 HIS 153 3HB HIS 153 -10.207 2.557 25.007 1262 H HIS 154 H HIS 154 -6.438 3.344 23.499 1263 HA HIS 154 HA HIS 154 -4.384 1.860 25.007 1264 HD1 HIS 154 HD1 HIS 154 -2.022 3.394 22.021 1265 HD2 HIS 154 HD2 HIS 154 -2.591 -0.547 23.216 1266 HE1 HIS 154 HE1 HIS 154 0.239 2.322 21.903 1267 HE2 HIS 154 HE2 HIS 154 -0.164 -0.100 22.441 1268 HB2 HIS 154 2HB HIS 154 -4.843 1.005 22.755 1269 HB3 HIS 154 3HB HIS 154 -4.535 2.593 22.064 1270 H HIS 155 H HIS 155 -2.814 3.004 25.989 1271 HA HIS 155 HA HIS 155 -2.550 5.847 25.336 1272 HD1 HIS 155 HD1 HIS 155 0.621 4.326 28.088 1273 HD2 HIS 155 HD2 HIS 155 -3.208 2.774 28.494 1274 HE1 HIS 155 HE1 HIS 155 0.897 2.188 29.364 1275 HE2 HIS 155 HE2 HIS 155 -1.395 1.166 29.398 1276 HB2 HIS 155 2HB HIS 155 -1.228 5.983 27.465 1277 HB3 HIS 155 3HB HIS 155 -2.894 5.461 27.664 Start of MODEL 12 1 HA MET 1 HA MET 1 11.433 28.040 -10.346 2 H1 MET 1 1H MET 1 12.909 29.788 -9.695 3 H2 MET 1 2H MET 1 13.472 28.318 -9.077 4 H3 MET 1 3H MET 1 12.698 29.422 -8.059 5 HB2 MET 1 2HB MET 1 11.982 26.509 -8.492 6 HB3 MET 1 3HB MET 1 11.123 27.556 -7.370 7 HG2 MET 1 2HG MET 1 9.037 27.132 -8.593 8 HG3 MET 1 3HG MET 1 9.911 26.060 -9.687 9 HE1 MET 1 3HE MET 1 7.757 23.581 -7.552 10 HE2 MET 1 1HE MET 1 8.142 24.150 -9.176 11 HE3 MET 1 2HE MET 1 7.284 25.205 -8.050 12 H GLY 2 H GLY 2 9.918 29.366 -11.166 13 HA2 GLY 2 2HA GLY 2 8.265 30.943 -9.276 14 HA3 GLY 2 3HA GLY 2 8.901 31.662 -10.744 15 H PHE 3 H PHE 3 8.306 28.826 -11.973 16 HA PHE 3 HA PHE 3 5.713 29.610 -12.993 17 HD1 PHE 3 HD2 PHE 3 9.428 28.846 -13.950 18 HD2 PHE 3 HD1 PHE 3 5.791 29.318 -16.121 19 HE1 PHE 3 HE2 PHE 3 10.566 30.357 -15.525 20 HE2 PHE 3 HE1 PHE 3 6.925 30.828 -17.697 21 HZ PHE 3 HZ PHE 3 9.316 31.351 -17.401 22 HB2 PHE 3 2HB PHE 3 7.528 27.284 -13.664 23 HB3 PHE 3 3HB PHE 3 5.995 27.594 -14.473 24 H LYS 4 H LYS 4 4.176 27.577 -13.425 25 HA LYS 4 HA LYS 4 3.201 26.970 -10.769 26 HB2 LYS 4 2HB LYS 4 1.755 27.818 -12.625 27 HB3 LYS 4 3HB LYS 4 1.986 26.293 -13.461 28 HG2 LYS 4 2HG LYS 4 -0.160 26.314 -12.354 29 HG3 LYS 4 3HG LYS 4 0.889 25.119 -11.592 30 HD2 LYS 4 2HD LYS 4 -0.332 26.357 -9.898 31 HD3 LYS 4 3HD LYS 4 1.389 26.722 -9.787 32 HE2 LYS 4 2HE LYS 4 1.031 28.819 -10.987 33 HE3 LYS 4 3HE LYS 4 -0.683 28.447 -11.153 34 HZ1 LYS 4 3HZ LYS 4 -0.325 29.967 -9.336 35 HZ2 LYS 4 1HZ LYS 4 0.765 28.903 -8.602 36 HZ3 LYS 4 2HZ LYS 4 -0.866 28.486 -8.732 37 H LEU 5 H LEU 5 5.580 25.512 -11.322 38 HA LEU 5 HA LEU 5 4.839 22.783 -11.918 39 HG LEU 5 HG LEU 5 8.391 23.100 -12.972 40 HB2 LEU 5 2HB LEU 5 7.386 24.063 -10.943 41 HB3 LEU 5 3HB LEU 5 7.213 22.321 -11.011 42 HD11 LEU 5 1HD1 LEU 5 6.901 21.183 -13.244 43 HD12 LEU 5 2HD1 LEU 5 7.002 22.134 -14.724 44 HD13 LEU 5 3HD1 LEU 5 5.578 22.262 -13.689 45 HD21 LEU 5 3HD2 LEU 5 7.536 25.396 -13.025 46 HD22 LEU 5 1HD2 LEU 5 5.965 24.800 -13.565 47 HD23 LEU 5 2HD2 LEU 5 7.386 24.611 -14.597 48 H ARG 6 H ARG 6 3.090 23.332 -10.122 49 HA ARG 6 HA ARG 6 3.799 21.739 -7.791 50 HE ARG 6 HE ARG 6 4.624 25.044 -5.126 51 HB2 ARG 6 2HB ARG 6 4.279 24.067 -7.082 52 HB3 ARG 6 3HB ARG 6 2.642 24.536 -7.523 53 HG2 ARG 6 2HG ARG 6 1.829 22.848 -5.822 54 HG3 ARG 6 3HG ARG 6 3.503 22.715 -5.282 55 HD2 ARG 6 2HD ARG 6 1.849 25.248 -5.329 56 HD3 ARG 6 3HD ARG 6 2.211 24.283 -3.900 57 HH11 ARG 6 1HH1 ARG 6 1.995 26.434 -3.375 58 HH12 ARG 6 2HH1 ARG 6 2.969 27.696 -2.706 59 HH21 ARG 6 1HH2 ARG 6 5.845 26.686 -4.285 60 HH22 ARG 6 2HH2 ARG 6 5.118 27.852 -3.237 61 H GLY 7 H GLY 7 2.061 20.505 -7.103 62 HA2 GLY 7 2HA GLY 7 -0.671 21.266 -7.604 63 HA3 GLY 7 3HA GLY 7 -0.117 20.022 -8.714 64 H GLN 8 H GLN 8 0.258 20.640 -5.217 65 HA GLN 8 HA GLN 8 0.206 17.817 -4.649 66 HB2 GLN 8 2HB GLN 8 0.041 20.004 -2.583 67 HB3 GLN 8 3HB GLN 8 0.729 18.395 -2.421 68 HG2 GLN 8 2HG GLN 8 1.871 20.770 -3.868 69 HG3 GLN 8 3HG GLN 8 2.536 19.922 -2.477 70 HE21 GLN 8 1HE2 GLN 8 3.580 17.935 -2.808 71 HE22 GLN 8 2HE2 GLN 8 4.113 17.437 -4.368 72 H VAL 9 H VAL 9 -1.684 16.749 -4.737 73 HA VAL 9 HA VAL 9 -4.229 17.895 -4.686 74 HB VAL 9 HB VAL 9 -3.756 15.706 -5.691 75 HG11 VAL 9 1HG1 VAL 9 -3.535 14.710 -2.849 76 HG12 VAL 9 2HG1 VAL 9 -2.229 14.808 -4.029 77 HG13 VAL 9 3HG1 VAL 9 -3.572 13.696 -4.291 78 HG21 VAL 9 3HG2 VAL 9 -5.793 14.548 -4.995 79 HG22 VAL 9 1HG2 VAL 9 -6.073 16.284 -5.139 80 HG23 VAL 9 2HG2 VAL 9 -5.881 15.551 -3.547 81 H SER 10 H SER 10 -2.365 16.504 -2.016 82 HA SER 10 HA SER 10 -4.547 17.238 -0.152 83 HG SER 10 HG SER 10 -4.053 14.461 1.906 84 HB2 SER 10 2HB SER 10 -4.248 14.804 -0.263 85 HB3 SER 10 3HB SER 10 -2.537 14.982 0.119 86 H GLU 11 H GLU 11 -3.888 17.971 1.980 87 HA GLU 11 HA GLU 11 -1.173 19.139 2.008 88 HB2 GLU 11 2HB GLU 11 -2.041 21.094 3.163 89 HB3 GLU 11 3HB GLU 11 -2.886 20.872 1.638 90 HG2 GLU 11 2HG GLU 11 -4.806 19.951 2.791 91 HG3 GLU 11 3HG GLU 11 -3.953 20.037 4.331 92 H LEU 12 H LEU 12 -0.248 19.552 4.116 93 HA LEU 12 HA LEU 12 -1.401 18.315 6.444 94 HG LEU 12 HG LEU 12 0.369 16.855 3.685 95 HB2 LEU 12 2HB LEU 12 0.879 16.943 6.668 96 HB3 LEU 12 3HB LEU 12 -0.554 16.278 5.917 97 HD11 LEU 12 1HD1 LEU 12 2.729 17.459 3.468 98 HD12 LEU 12 2HD1 LEU 12 2.845 17.634 5.221 99 HD13 LEU 12 3HD1 LEU 12 1.803 18.713 4.293 100 HD21 LEU 12 3HD2 LEU 12 2.140 15.122 5.412 101 HD22 LEU 12 1HD2 LEU 12 2.073 15.091 3.649 102 HD23 LEU 12 2HD2 LEU 12 0.661 14.619 4.594 103 HA PRO 13 HA PRO 13 0.759 21.573 8.392 104 HB2 PRO 13 2HB PRO 13 1.085 20.625 10.926 105 HB3 PRO 13 3HB PRO 13 -0.479 21.116 10.271 106 HG2 PRO 13 2HG PRO 13 0.691 18.364 10.513 107 HG3 PRO 13 3HG PRO 13 -0.948 18.919 10.907 108 HD2 PRO 13 2HD PRO 13 -0.390 17.633 8.604 109 HD3 PRO 13 3HD PRO 13 -1.619 18.913 8.689 110 H PHE 14 H PHE 14 2.360 18.510 8.192 111 HA PHE 14 HA PHE 14 4.904 19.712 9.066 112 HD1 PHE 14 HD2 PHE 14 4.896 15.668 7.409 113 HD2 PHE 14 HD1 PHE 14 2.308 17.017 10.514 114 HE1 PHE 14 HE2 PHE 14 3.332 13.841 6.898 115 HE2 PHE 14 HE1 PHE 14 0.743 15.189 10.004 116 HZ PHE 14 HZ PHE 14 1.250 13.598 8.193 117 HB2 PHE 14 2HB PHE 14 5.673 17.247 9.102 118 HB3 PHE 14 3HB PHE 14 4.597 17.807 10.375 119 H GLU 15 H GLU 15 6.285 20.337 7.556 120 HA GLU 15 HA GLU 15 5.855 19.575 4.784 121 HB2 GLU 15 2HB GLU 15 7.514 21.335 4.281 122 HB3 GLU 15 3HB GLU 15 6.204 21.920 5.298 123 HG2 GLU 15 2HG GLU 15 7.608 21.846 7.250 124 HG3 GLU 15 3HG GLU 15 8.906 21.087 6.336 125 H ARG 16 H ARG 16 7.622 18.149 7.184 126 HA ARG 16 HA ARG 16 9.560 17.028 5.262 127 HE ARG 16 HE ARG 16 12.518 21.420 6.274 128 HB2 ARG 16 2HB ARG 16 10.261 17.858 8.092 129 HB3 ARG 16 3HB ARG 16 11.351 17.116 6.930 130 HG2 ARG 16 2HG ARG 16 11.380 19.074 5.578 131 HG3 ARG 16 3HG ARG 16 10.040 19.786 6.476 132 HD2 ARG 16 2HD ARG 16 11.520 19.775 8.512 133 HD3 ARG 16 3HD ARG 16 12.850 19.292 7.460 134 HH11 ARG 16 1HH1 ARG 16 11.248 21.109 9.465 135 HH12 ARG 16 2HH1 ARG 16 11.247 22.815 9.745 136 HH21 ARG 16 1HH2 ARG 16 12.538 23.607 6.654 137 HH22 ARG 16 2HH2 ARG 16 11.958 24.216 8.164 138 H VAL 17 H VAL 17 9.606 14.817 5.318 139 HA VAL 17 HA VAL 17 8.846 13.470 7.825 140 HB VAL 17 HB VAL 17 7.605 11.731 6.541 141 HG11 VAL 17 1HG1 VAL 17 5.557 13.033 6.247 142 HG12 VAL 17 2HG1 VAL 17 6.492 14.528 6.286 143 HG13 VAL 17 3HG1 VAL 17 6.405 13.505 7.720 144 HG21 VAL 17 3HG2 VAL 17 8.569 12.082 4.331 145 HG22 VAL 17 1HG2 VAL 17 7.841 13.688 4.248 146 HG23 VAL 17 2HG2 VAL 17 6.814 12.254 4.272 147 H TYR 18 H TYR 18 9.939 11.630 8.319 148 HA TYR 18 HA TYR 18 12.062 10.763 6.459 149 HD1 TYR 18 HD1 TYR 18 14.326 10.036 6.681 150 HD2 TYR 18 HD2 TYR 18 12.988 8.876 10.553 151 HE1 TYR 18 HE1 TYR 18 16.056 8.294 6.753 152 HE2 TYR 18 HE2 TYR 18 14.715 7.129 10.631 153 HH TYR 18 HH TYR 18 17.270 6.974 8.311 154 HB2 TYR 18 2HB TYR 18 12.974 11.625 8.527 155 HB3 TYR 18 3HB TYR 18 11.894 10.615 9.478 156 H ILE 19 H ILE 19 11.965 8.745 5.645 157 HA ILE 19 HA ILE 19 9.947 6.894 6.754 158 HB ILE 19 HB ILE 19 9.521 7.579 4.438 159 HG12 ILE 19 2HG1 ILE 19 10.391 4.682 4.694 160 HG13 ILE 19 3HG1 ILE 19 8.820 5.336 5.146 161 HG21 ILE 19 1HG2 ILE 19 12.193 6.320 3.799 162 HG22 ILE 19 2HG2 ILE 19 11.814 8.041 3.748 163 HG23 ILE 19 3HG2 ILE 19 11.031 6.934 2.622 164 HD11 ILE 19 3HD1 ILE 19 8.405 5.901 2.791 165 HD12 ILE 19 1HD1 ILE 19 8.678 4.176 3.038 166 HD13 ILE 19 2HD1 ILE 19 9.958 5.183 2.362 167 H THR 20 H THR 20 10.469 4.771 7.213 168 HA THR 20 HA THR 20 13.157 3.791 6.576 169 HB THR 20 HB THR 20 13.436 4.747 8.808 170 HG1 THR 20 HG1 THR 20 14.717 3.035 8.807 171 HG21 THR 20 3HG2 THR 20 11.234 2.857 9.670 172 HG22 THR 20 1HG2 THR 20 11.112 4.616 9.585 173 HG23 THR 20 2HG2 THR 20 12.211 3.864 10.741 174 H ALA 21 H ALA 21 13.357 1.501 6.605 175 HA ALA 21 HA ALA 21 10.936 -0.087 7.017 176 HB1 ALA 21 3HB ALA 21 11.058 -1.093 4.783 177 HB2 ALA 21 1HB ALA 21 12.379 -0.000 4.362 178 HB3 ALA 21 2HB ALA 21 10.769 0.644 4.692 179 HA PRO 22 HA PRO 22 14.075 -2.819 8.597 180 HB2 PRO 22 2HB PRO 22 12.567 -4.969 9.150 181 HB3 PRO 22 3HB PRO 22 12.357 -3.448 10.028 182 HG2 PRO 22 2HG PRO 22 10.770 -4.524 7.713 183 HG3 PRO 22 3HG PRO 22 10.181 -3.825 9.236 184 HD2 PRO 22 2HD PRO 22 10.341 -2.399 6.926 185 HD3 PRO 22 3HD PRO 22 10.552 -1.659 8.528 186 H ALA 23 H ALA 23 13.973 -2.748 5.675 187 HA ALA 23 HA ALA 23 15.415 -4.981 4.911 188 HB1 ALA 23 3HB ALA 23 13.404 -6.308 5.331 189 HB2 ALA 23 1HB ALA 23 13.818 -6.324 3.617 190 HB3 ALA 23 2HB ALA 23 12.493 -5.313 4.195 191 H GLY 24 H GLY 24 13.297 -2.376 4.040 192 HA2 GLY 24 2HA GLY 24 13.564 -0.840 2.289 193 HA3 GLY 24 3HA GLY 24 14.725 -1.925 1.532 194 H LEU 25 H LEU 25 11.277 -1.817 2.396 195 HA LEU 25 HA LEU 25 10.624 -3.815 0.417 196 HG LEU 25 HG LEU 25 10.508 -3.624 3.521 197 HB2 LEU 25 2HB LEU 25 8.826 -2.242 2.268 198 HB3 LEU 25 3HB LEU 25 8.379 -3.682 1.367 199 HD11 LEU 25 1HD1 LEU 25 8.318 -3.140 4.483 200 HD12 LEU 25 2HD1 LEU 25 8.890 -4.737 4.961 201 HD13 LEU 25 3HD1 LEU 25 7.652 -4.581 3.713 202 HD21 LEU 25 3HD2 LEU 25 9.170 -5.919 2.086 203 HD22 LEU 25 1HD2 LEU 25 10.300 -6.071 3.431 204 HD23 LEU 25 2HD2 LEU 25 10.844 -5.394 1.897 205 H THR 26 H THR 26 9.130 -3.567 -1.281 206 HA THR 26 HA THR 26 9.489 -1.470 -3.031 207 HB THR 26 HB THR 26 7.452 -2.259 -4.219 208 HG1 THR 26 HG1 THR 26 7.052 -4.368 -2.461 209 HG21 THR 26 3HG2 THR 26 9.201 -4.501 -3.186 210 HG22 THR 26 1HG2 THR 26 9.593 -3.432 -4.534 211 HG23 THR 26 2HG2 THR 26 8.223 -4.538 -4.654 212 H ILE 27 H ILE 27 6.752 -1.913 -0.801 213 HA ILE 27 HA ILE 27 5.137 0.199 -1.455 214 HB ILE 27 HB ILE 27 4.583 -1.458 0.277 215 HG12 ILE 27 2HG1 ILE 27 3.479 0.087 1.892 216 HG13 ILE 27 3HG1 ILE 27 4.440 1.414 1.249 217 HG21 ILE 27 1HG2 ILE 27 6.510 0.058 2.042 218 HG22 ILE 27 2HG2 ILE 27 6.755 -1.564 1.394 219 HG23 ILE 27 3HG2 ILE 27 5.456 -1.264 2.548 220 HD11 ILE 27 3HD1 ILE 27 2.195 1.439 0.339 221 HD12 ILE 27 1HD1 ILE 27 2.406 -0.199 -0.277 222 HD13 ILE 27 2HD1 ILE 27 3.373 1.121 -0.933 223 H GLY 28 H GLY 28 8.192 0.349 0.292 224 HA2 GLY 28 2HA GLY 28 8.010 3.012 1.231 225 HA3 GLY 28 3HA GLY 28 9.499 2.126 0.942 226 H SER 29 H SER 29 9.254 1.677 -1.814 227 HA SER 29 HA SER 29 10.219 4.080 -2.928 228 HG SER 29 HG SER 29 10.520 2.365 -6.043 229 HB2 SER 29 2HB SER 29 10.792 1.857 -3.830 230 HB3 SER 29 3HB SER 29 9.124 1.634 -4.355 231 H ASP 30 H ASP 30 7.135 2.387 -3.589 232 HA ASP 30 HA ASP 30 5.842 4.326 -5.078 233 HB2 ASP 30 2HB ASP 30 4.697 2.383 -3.052 234 HB3 ASP 30 3HB ASP 30 3.720 3.317 -4.178 235 H LEU 31 H LEU 31 5.949 3.997 -1.537 236 HA LEU 31 HA LEU 31 4.129 6.021 -0.883 237 HG LEU 31 HG LEU 31 5.465 7.083 1.748 238 HB2 LEU 31 2HB LEU 31 4.971 4.292 0.679 239 HB3 LEU 31 3HB LEU 31 6.522 5.107 0.719 240 HD11 LEU 31 1HD1 LEU 31 3.230 6.845 0.786 241 HD12 LEU 31 2HD1 LEU 31 3.165 6.995 2.541 242 HD13 LEU 31 3HD1 LEU 31 2.947 5.415 1.784 243 HD21 LEU 31 3HD2 LEU 31 5.027 6.101 3.940 244 HD22 LEU 31 1HD2 LEU 31 6.421 5.340 3.173 245 HD23 LEU 31 2HD2 LEU 31 4.867 4.506 3.204 246 H GLU 32 H GLU 32 7.717 6.235 -0.968 247 HA GLU 32 HA GLU 32 7.978 8.916 -0.297 248 HB2 GLU 32 2HB GLU 32 9.671 7.243 -2.167 249 HB3 GLU 32 3HB GLU 32 10.130 8.850 -1.613 250 HG2 GLU 32 2HG GLU 32 10.101 8.054 0.707 251 HG3 GLU 32 3HG GLU 32 9.653 6.445 0.144 252 H ARG 33 H ARG 33 7.406 7.509 -3.498 253 HA ARG 33 HA ARG 33 7.535 9.872 -5.020 254 HE ARG 33 HE ARG 33 9.441 5.639 -7.085 255 HB2 ARG 33 2HB ARG 33 5.757 7.468 -5.512 256 HB3 ARG 33 3HB ARG 33 6.232 8.670 -6.705 257 HG2 ARG 33 2HG ARG 33 8.543 7.959 -6.549 258 HG3 ARG 33 3HG ARG 33 8.121 6.804 -5.282 259 HD2 ARG 33 2HD ARG 33 6.602 5.674 -6.900 260 HD3 ARG 33 3HD ARG 33 7.191 6.770 -8.156 261 HH11 ARG 33 1HH1 ARG 33 6.608 4.457 -8.659 262 HH12 ARG 33 2HH1 ARG 33 7.394 3.020 -9.205 263 HH21 ARG 33 1HH2 ARG 33 10.431 3.806 -7.802 264 HH22 ARG 33 2HH2 ARG 33 9.535 2.664 -8.749 265 H VAL 34 H VAL 34 4.665 8.196 -3.728 266 HA VAL 34 HA VAL 34 2.757 10.041 -4.583 267 HB VAL 34 HB VAL 34 2.679 8.154 -2.221 268 HG11 VAL 34 1HG1 VAL 34 0.232 8.395 -2.306 269 HG12 VAL 34 2HG1 VAL 34 0.404 9.659 -3.526 270 HG13 VAL 34 3HG1 VAL 34 1.024 9.916 -1.895 271 HG21 VAL 34 3HG2 VAL 34 1.565 7.921 -5.023 272 HG22 VAL 34 1HG2 VAL 34 1.385 6.725 -3.737 273 HG23 VAL 34 2HG2 VAL 34 2.983 7.074 -4.400 274 H ILE 35 H ILE 35 4.403 9.888 -1.405 275 HA ILE 35 HA ILE 35 3.101 12.038 -0.184 276 HB ILE 35 HB ILE 35 5.986 11.171 0.158 277 HG12 ILE 35 2HG1 ILE 35 3.490 10.459 1.731 278 HG13 ILE 35 3HG1 ILE 35 4.363 9.385 0.643 279 HG21 ILE 35 1HG2 ILE 35 4.273 12.910 1.941 280 HG22 ILE 35 2HG2 ILE 35 5.664 13.437 0.995 281 HG23 ILE 35 3HG2 ILE 35 5.886 12.312 2.335 282 HD11 ILE 35 3HD1 ILE 35 6.318 9.500 2.121 283 HD12 ILE 35 1HD1 ILE 35 4.888 8.879 2.947 284 HD13 ILE 35 2HD1 ILE 35 5.413 10.541 3.222 285 H SER 36 H SER 36 6.228 12.139 -1.945 286 HA SER 36 HA SER 36 6.523 14.945 -1.731 287 HG SER 36 HG SER 36 7.887 15.597 -3.819 288 HB2 SER 36 2HB SER 36 8.434 13.459 -2.131 289 HB3 SER 36 3HB SER 36 7.790 13.038 -3.718 290 H THR 37 H THR 37 4.730 13.010 -4.022 291 HA THR 37 HA THR 37 4.526 15.281 -5.888 292 HB THR 37 HB THR 37 3.523 13.698 -7.487 293 HG1 THR 37 HG1 THR 37 4.194 11.451 -6.028 294 HG21 THR 37 3HG2 THR 37 6.115 12.706 -6.275 295 HG22 THR 37 1HG2 THR 37 5.955 13.971 -7.497 296 HG23 THR 37 2HG2 THR 37 5.519 12.304 -7.885 297 H HIS 38 H HIS 38 2.710 13.868 -3.380 298 HA HIS 38 HA HIS 38 0.237 15.084 -4.455 299 HD1 HIS 38 HD1 HIS 38 -2.346 12.385 -4.705 300 HD2 HIS 38 HD2 HIS 38 1.733 11.844 -5.290 301 HE1 HIS 38 HE1 HIS 38 -2.144 10.936 -6.743 302 HE2 HIS 38 HE2 HIS 38 0.325 10.553 -7.028 303 HB2 HIS 38 2HB HIS 38 0.525 12.689 -2.631 304 HB3 HIS 38 3HB HIS 38 -1.008 13.498 -2.936 305 H THR 39 H THR 39 2.520 15.245 -1.899 306 HA THR 39 HA THR 39 0.847 17.279 -0.583 307 HB THR 39 HB THR 39 1.536 16.543 1.666 308 HG1 THR 39 HG1 THR 39 3.131 14.855 0.252 309 HG21 THR 39 3HG2 THR 39 0.139 14.365 0.109 310 HG22 THR 39 1HG2 THR 39 -0.626 15.799 0.797 311 HG23 THR 39 2HG2 THR 39 0.088 14.585 1.859 312 H ARG 40 H ARG 40 2.146 18.576 1.029 313 HA ARG 40 HA ARG 40 4.494 19.603 -0.229 314 HE ARG 40 HE ARG 40 6.712 20.591 0.307 315 HB2 ARG 40 2HB ARG 40 2.903 21.040 0.958 316 HB3 ARG 40 3HB ARG 40 3.256 20.216 2.467 317 HG2 ARG 40 2HG ARG 40 4.371 22.350 2.427 318 HG3 ARG 40 3HG ARG 40 5.576 21.066 2.355 319 HD2 ARG 40 2HD ARG 40 4.540 22.500 -0.089 320 HD3 ARG 40 3HD ARG 40 5.950 23.044 0.817 321 HH11 ARG 40 1HH1 ARG 40 5.029 22.731 -1.827 322 HH12 ARG 40 2HH1 ARG 40 5.789 22.076 -3.238 323 HH21 ARG 40 1HH2 ARG 40 7.654 19.775 -1.531 324 HH22 ARG 40 2HH2 ARG 40 7.234 20.433 -3.074 325 H ALA 41 H ALA 41 4.020 17.111 2.066 326 HA ALA 41 HA ALA 41 6.301 17.383 3.692 327 HB1 ALA 41 3HB ALA 41 4.396 15.950 4.259 328 HB2 ALA 41 1HB ALA 41 5.923 15.070 4.327 329 HB3 ALA 41 2HB ALA 41 4.837 14.849 2.953 330 H LYS 42 H LYS 42 8.319 17.517 2.919 331 HA LYS 42 HA LYS 42 9.212 15.991 0.622 332 HB2 LYS 42 2HB LYS 42 9.944 18.381 1.281 333 HB3 LYS 42 3HB LYS 42 10.969 17.611 2.479 334 HG2 LYS 42 2HG LYS 42 11.123 17.019 -0.474 335 HG3 LYS 42 3HG LYS 42 12.092 18.251 0.328 336 HD2 LYS 42 2HD LYS 42 13.107 16.532 1.754 337 HD3 LYS 42 3HD LYS 42 12.127 15.293 0.972 338 HE2 LYS 42 2HE LYS 42 13.205 15.856 -1.186 339 HE3 LYS 42 3HE LYS 42 14.233 17.012 -0.341 340 HZ1 LYS 42 3HZ LYS 42 15.160 15.204 0.955 341 HZ2 LYS 42 1HZ LYS 42 15.343 14.886 -0.696 342 HZ3 LYS 42 2HZ LYS 42 14.144 14.088 0.189 343 H VAL 43 H VAL 43 10.016 13.980 0.739 344 HA VAL 43 HA VAL 43 10.472 12.695 3.271 345 HB VAL 43 HB VAL 43 10.997 11.614 0.490 346 HG11 VAL 43 1HG1 VAL 43 12.181 10.390 2.251 347 HG12 VAL 43 2HG1 VAL 43 10.888 9.415 1.556 348 HG13 VAL 43 3HG1 VAL 43 10.667 10.175 3.130 349 HG21 VAL 43 3HG2 VAL 43 8.544 11.345 2.242 350 HG22 VAL 43 1HG2 VAL 43 8.810 10.503 0.715 351 HG23 VAL 43 2HG2 VAL 43 8.658 12.260 0.739 352 H VAL 44 H VAL 44 12.324 12.671 4.366 353 HA VAL 44 HA VAL 44 14.847 13.282 2.960 354 HB VAL 44 HB VAL 44 15.748 13.907 5.188 355 HG11 VAL 44 1HG1 VAL 44 14.843 15.616 3.697 356 HG12 VAL 44 2HG1 VAL 44 14.546 16.029 5.388 357 HG13 VAL 44 3HG1 VAL 44 13.236 15.389 4.393 358 HG21 VAL 44 3HG2 VAL 44 14.293 12.535 6.590 359 HG22 VAL 44 1HG2 VAL 44 12.899 13.509 6.121 360 HG23 VAL 44 2HG2 VAL 44 14.200 14.230 7.069 361 H ASN 45 H ASN 45 16.811 12.216 3.746 362 HA ASN 45 HA ASN 45 16.320 9.375 4.242 363 HB2 ASN 45 2HB ASN 45 17.828 10.176 2.382 364 HB3 ASN 45 3HB ASN 45 18.959 10.728 3.615 365 HD21 ASN 45 1HD2 ASN 45 20.580 9.340 3.025 366 HD22 ASN 45 2HD2 ASN 45 20.489 7.631 3.249 367 H LYS 46 H LYS 46 16.818 11.994 6.190 368 HA LYS 46 HA LYS 46 17.686 10.308 8.385 369 HB2 LYS 46 2HB LYS 46 19.507 11.786 9.115 370 HB3 LYS 46 3HB LYS 46 19.837 11.063 7.552 371 HG2 LYS 46 2HG LYS 46 18.714 13.835 7.822 372 HG3 LYS 46 3HG LYS 46 20.448 13.511 7.868 373 HD2 LYS 46 2HD LYS 46 20.178 12.371 5.629 374 HD3 LYS 46 3HD LYS 46 18.523 12.994 5.595 375 HE2 LYS 46 2HE LYS 46 20.061 14.437 4.343 376 HE3 LYS 46 3HE LYS 46 19.356 15.279 5.721 377 HZ1 LYS 46 3HZ LYS 46 21.391 14.930 6.952 378 HZ2 LYS 46 1HZ LYS 46 21.732 15.711 5.493 379 HZ3 LYS 46 2HZ LYS 46 22.069 14.064 5.668 380 H ALA 47 H ALA 47 17.322 11.233 10.494 381 HA ALA 47 HA ALA 47 14.806 12.637 10.433 382 HB1 ALA 47 3HB ALA 47 16.347 11.568 12.795 383 HB2 ALA 47 1HB ALA 47 15.149 10.675 11.854 384 HB3 ALA 47 2HB ALA 47 14.660 12.087 12.793 385 H GLU 48 H GLU 48 17.901 13.846 10.510 386 HA GLU 48 HA GLU 48 17.768 15.841 12.503 387 HB2 GLU 48 2HB GLU 48 19.577 16.946 11.344 388 HB3 GLU 48 3HB GLU 48 19.852 15.211 11.297 389 HG2 GLU 48 2HG GLU 48 19.048 15.122 9.009 390 HG3 GLU 48 3HG GLU 48 18.686 16.843 9.048 391 H LYS 49 H LYS 49 16.439 15.698 9.275 392 HA LYS 49 HA LYS 49 15.384 18.442 9.581 393 HB2 LYS 49 2HB LYS 49 17.273 18.055 7.852 394 HB3 LYS 49 3HB LYS 49 16.059 17.200 6.913 395 HG2 LYS 49 2HG LYS 49 16.251 19.470 6.125 396 HG3 LYS 49 3HG LYS 49 14.672 19.243 6.882 397 HD2 LYS 49 2HD LYS 49 15.662 21.383 7.539 398 HD3 LYS 49 3HD LYS 49 15.493 20.311 8.930 399 HE2 LYS 49 2HE LYS 49 17.651 21.441 8.982 400 HE3 LYS 49 3HE LYS 49 17.872 19.709 8.744 401 HZ1 LYS 49 3HZ LYS 49 19.315 20.929 7.283 402 HZ2 LYS 49 1HZ LYS 49 18.018 21.806 6.644 403 HZ3 LYS 49 2HZ LYS 49 18.141 20.145 6.356 404 H SER 50 H SER 50 14.002 16.171 10.459 405 HA SER 50 HA SER 50 11.770 16.075 8.527 406 HG SER 50 HG SER 50 12.054 13.167 11.103 407 HB2 SER 50 2HB SER 50 11.254 13.800 9.278 408 HB3 SER 50 3HB SER 50 12.898 13.880 8.646 409 H GLU 51 H GLU 51 9.765 16.495 9.298 410 HA GLU 51 HA GLU 51 9.476 17.386 12.047 411 HB2 GLU 51 2HB GLU 51 7.375 17.232 9.870 412 HB3 GLU 51 3HB GLU 51 7.262 18.129 11.378 413 HG2 GLU 51 2HG GLU 51 9.131 18.694 9.084 414 HG3 GLU 51 3HG GLU 51 7.711 19.629 9.543 415 H ALA 52 H ALA 52 8.408 14.726 10.007 416 HA ALA 52 HA ALA 52 7.520 13.272 12.415 417 HB1 ALA 52 3HB ALA 52 5.523 14.118 11.261 418 HB2 ALA 52 1HB ALA 52 5.607 12.357 11.203 419 HB3 ALA 52 2HB ALA 52 6.034 13.309 9.779 420 H ILE 53 H ILE 53 7.264 10.862 11.900 421 HA ILE 53 HA ILE 53 9.224 9.920 9.913 422 HB ILE 53 HB ILE 53 9.113 9.096 12.824 423 HG12 ILE 53 2HG1 ILE 53 11.297 10.328 11.122 424 HG13 ILE 53 3HG1 ILE 53 10.424 11.108 12.435 425 HG21 ILE 53 1HG2 ILE 53 10.848 7.444 12.314 426 HG22 ILE 53 2HG2 ILE 53 10.713 7.825 10.598 427 HG23 ILE 53 3HG2 ILE 53 9.352 7.095 11.451 428 HD11 ILE 53 3HD1 ILE 53 12.308 8.775 12.695 429 HD12 ILE 53 1HD1 ILE 53 11.422 9.533 14.019 430 HD13 ILE 53 2HD1 ILE 53 12.644 10.449 13.135 431 H ILE 54 H ILE 54 8.321 8.466 8.612 432 HA ILE 54 HA ILE 54 5.982 6.928 9.520 433 HB ILE 54 HB ILE 54 7.071 7.382 6.726 434 HG12 ILE 54 2HG1 ILE 54 4.784 8.442 6.399 435 HG13 ILE 54 3HG1 ILE 54 4.562 8.335 8.140 436 HG21 ILE 54 1HG2 ILE 54 6.204 5.133 6.830 437 HG22 ILE 54 2HG2 ILE 54 5.068 6.141 5.938 438 HG23 ILE 54 3HG2 ILE 54 4.724 5.693 7.609 439 HD11 ILE 54 3HD1 ILE 54 5.257 10.560 7.434 440 HD12 ILE 54 1HD1 ILE 54 6.731 9.885 6.739 441 HD13 ILE 54 2HD1 ILE 54 6.463 9.811 8.482 442 H GLN 55 H GLN 55 6.561 5.083 10.493 443 HA GLN 55 HA GLN 55 8.866 3.553 9.494 444 HB2 GLN 55 2HB GLN 55 8.782 4.073 11.907 445 HB3 GLN 55 3HB GLN 55 7.249 3.222 12.036 446 HG2 GLN 55 2HG GLN 55 8.364 1.132 11.384 447 HG3 GLN 55 3HG GLN 55 9.900 1.995 11.289 448 HE21 GLN 55 1HE2 GLN 55 9.144 -0.247 12.984 449 HE22 GLN 55 2HE2 GLN 55 9.393 0.279 14.608 450 H ILE 56 H ILE 56 8.148 2.383 7.747 451 HA ILE 56 HA ILE 56 5.628 0.945 7.878 452 HB ILE 56 HB ILE 56 6.403 2.020 5.768 453 HG12 ILE 56 2HG1 ILE 56 4.779 0.052 5.844 454 HG13 ILE 56 3HG1 ILE 56 5.555 0.368 4.299 455 HG21 ILE 56 1HG2 ILE 56 8.772 1.566 5.911 456 HG22 ILE 56 2HG2 ILE 56 8.119 0.943 4.395 457 HG23 ILE 56 3HG2 ILE 56 8.479 -0.162 5.722 458 HD11 ILE 56 3HD1 ILE 56 7.137 -1.470 4.763 459 HD12 ILE 56 1HD1 ILE 56 5.455 -1.994 4.698 460 HD13 ILE 56 2HD1 ILE 56 6.260 -1.810 6.254 461 H VAL 57 H VAL 57 5.382 -1.077 8.561 462 HA VAL 57 HA VAL 57 7.730 -2.439 9.614 463 HB VAL 57 HB VAL 57 4.808 -3.152 9.974 464 HG11 VAL 57 1HG1 VAL 57 7.257 -3.993 11.541 465 HG12 VAL 57 2HG1 VAL 57 6.324 -5.015 10.445 466 HG13 VAL 57 3HG1 VAL 57 5.588 -4.412 11.930 467 HG21 VAL 57 3HG2 VAL 57 5.265 -0.895 10.806 468 HG22 VAL 57 1HG2 VAL 57 6.611 -1.510 11.766 469 HG23 VAL 57 2HG2 VAL 57 4.960 -2.010 12.138 470 H HIS 58 H HIS 58 4.921 -3.344 7.548 471 HA HIS 58 HA HIS 58 6.592 -5.411 6.298 472 HD1 HIS 58 HD1 HIS 58 7.581 -6.758 7.795 473 HD2 HIS 58 HD2 HIS 58 4.033 -7.319 9.888 474 HE1 HIS 58 HE1 HIS 58 8.248 -7.736 10.005 475 HE2 HIS 58 HE2 HIS 58 6.090 -8.118 11.235 476 HB2 HIS 58 2HB HIS 58 3.878 -5.983 7.516 477 HB3 HIS 58 3HB HIS 58 4.767 -7.098 6.483 478 H ALA 59 H ALA 59 6.020 -6.021 4.234 479 HA ALA 59 HA ALA 59 3.618 -4.810 3.022 480 HB1 ALA 59 3HB ALA 59 6.356 -4.944 1.743 481 HB2 ALA 59 1HB ALA 59 5.549 -3.486 2.325 482 HB3 ALA 59 2HB ALA 59 4.878 -4.377 0.960 483 H ILE 60 H ILE 60 2.384 -6.611 2.826 484 HA ILE 60 HA ILE 60 3.606 -9.096 1.804 485 HB ILE 60 HB ILE 60 1.027 -8.737 3.351 486 HG12 ILE 60 2HG1 ILE 60 2.983 -8.273 4.748 487 HG13 ILE 60 3HG1 ILE 60 2.234 -9.790 5.228 488 HG21 ILE 60 1HG2 ILE 60 2.454 -11.265 2.515 489 HG22 ILE 60 2HG2 ILE 60 0.916 -10.674 1.884 490 HG23 ILE 60 3HG2 ILE 60 1.040 -11.185 3.568 491 HD11 ILE 60 3HD1 ILE 60 4.723 -9.485 3.560 492 HD12 ILE 60 1HD1 ILE 60 3.969 -11.018 4.007 493 HD13 ILE 60 2HD1 ILE 60 4.643 -9.968 5.255 494 H ARG 61 H ARG 61 2.823 -10.094 -0.017 495 HA ARG 61 HA ARG 61 0.319 -9.130 -1.212 496 HE ARG 61 HE ARG 61 5.793 -9.693 -3.655 497 HB2 ARG 61 2HB ARG 61 1.404 -9.090 -3.475 498 HB3 ARG 61 3HB ARG 61 1.955 -7.831 -2.381 499 HG2 ARG 61 2HG ARG 61 3.995 -9.091 -1.928 500 HG3 ARG 61 3HG ARG 61 3.440 -10.386 -2.989 501 HD2 ARG 61 2HD ARG 61 3.426 -8.807 -4.882 502 HD3 ARG 61 3HD ARG 61 4.026 -7.538 -3.813 503 HH11 ARG 61 1HH1 ARG 61 4.748 -7.364 -5.974 504 HH12 ARG 61 2HH1 ARG 61 6.234 -7.419 -6.855 505 HH21 ARG 61 1HH2 ARG 61 7.691 -9.742 -4.777 506 HH22 ARG 61 2HH2 ARG 61 7.897 -8.731 -6.166 507 H GLU 62 H GLU 62 -0.806 -11.004 -0.880 508 HA GLU 62 HA GLU 62 0.399 -13.523 -1.858 509 HB2 GLU 62 2HB GLU 62 -1.704 -13.108 0.276 510 HB3 GLU 62 3HB GLU 62 -1.167 -14.678 -0.307 511 HG2 GLU 62 2HG GLU 62 0.517 -12.625 1.121 512 HG3 GLU 62 3HG GLU 62 -0.091 -14.138 1.792 513 H LYS 63 H LYS 63 -0.911 -15.044 -2.939 514 HA LYS 63 HA LYS 63 -3.446 -14.036 -4.078 515 HB2 LYS 63 2HB LYS 63 -1.218 -15.427 -5.596 516 HB3 LYS 63 3HB LYS 63 -2.770 -14.956 -6.270 517 HG2 LYS 63 2HG LYS 63 -2.252 -12.615 -5.955 518 HG3 LYS 63 3HG LYS 63 -0.744 -13.031 -5.140 519 HD2 LYS 63 2HD LYS 63 -0.282 -12.376 -7.426 520 HD3 LYS 63 3HD LYS 63 0.064 -14.093 -7.219 521 HE2 LYS 63 2HE LYS 63 -2.112 -14.638 -8.239 522 HE3 LYS 63 3HE LYS 63 -2.432 -12.918 -8.462 523 HZ1 LYS 63 3HZ LYS 63 -1.609 -13.930 -10.486 524 HZ2 LYS 63 1HZ LYS 63 -0.205 -14.446 -9.697 525 HZ3 LYS 63 2HZ LYS 63 -0.496 -12.791 -9.910 526 H ARG 64 H ARG 64 -5.099 -15.516 -3.847 527 HA ARG 64 HA ARG 64 -4.454 -18.357 -3.508 528 HE ARG 64 HE ARG 64 -5.662 -18.183 0.992 529 HB2 ARG 64 2HB ARG 64 -5.640 -18.444 -1.321 530 HB3 ARG 64 3HB ARG 64 -4.156 -17.498 -1.278 531 HG2 ARG 64 2HG ARG 64 -5.617 -15.443 -1.607 532 HG3 ARG 64 3HG ARG 64 -6.994 -16.496 -1.283 533 HD2 ARG 64 2HD ARG 64 -4.668 -15.984 0.576 534 HD3 ARG 64 3HD ARG 64 -6.288 -15.308 0.734 535 HH11 ARG 64 1HH1 ARG 64 -7.602 -15.448 1.773 536 HH12 ARG 64 2HH1 ARG 64 -8.432 -16.272 3.048 537 HH21 ARG 64 1HH2 ARG 64 -6.751 -19.229 2.595 538 HH22 ARG 64 2HH2 ARG 64 -7.963 -18.392 3.506 539 H ILE 65 H ILE 65 -6.320 -19.778 -3.419 540 HA ILE 65 HA ILE 65 -8.459 -18.927 -5.155 541 HB ILE 65 HB ILE 65 -7.696 -21.541 -3.889 542 HG12 ILE 65 2HG1 ILE 65 -6.660 -20.799 -6.025 543 HG13 ILE 65 3HG1 ILE 65 -7.578 -22.293 -6.199 544 HG21 ILE 65 1HG2 ILE 65 -10.115 -21.481 -3.602 545 HG22 ILE 65 2HG2 ILE 65 -9.677 -22.630 -4.866 546 HG23 ILE 65 3HG2 ILE 65 -10.328 -21.047 -5.297 547 HD11 ILE 65 3HD1 ILE 65 -9.418 -21.082 -7.198 548 HD12 ILE 65 1HD1 ILE 65 -7.921 -20.750 -8.070 549 HD13 ILE 65 2HD1 ILE 65 -8.577 -19.552 -6.951 550 H LEU 66 H LEU 66 -10.493 -18.361 -4.662 551 HA LEU 66 HA LEU 66 -11.296 -18.257 -1.846 552 HG LEU 66 HG LEU 66 -14.122 -17.212 -2.224 553 HB2 LEU 66 2HB LEU 66 -11.479 -16.258 -3.356 554 HB3 LEU 66 3HB LEU 66 -12.703 -17.119 -4.269 555 HD11 LEU 66 1HD1 LEU 66 -12.373 -17.074 -0.539 556 HD12 LEU 66 2HD1 LEU 66 -13.556 -15.785 -0.316 557 HD13 LEU 66 3HD1 LEU 66 -11.990 -15.427 -1.046 558 HD21 LEU 66 3HD2 LEU 66 -14.476 -15.451 -3.875 559 HD22 LEU 66 1HD2 LEU 66 -13.269 -14.441 -3.078 560 HD23 LEU 66 2HD2 LEU 66 -14.770 -14.845 -2.245 561 H SER 67 H SER 67 -12.313 -19.706 -4.916 562 HA SER 67 HA SER 67 -13.782 -21.770 -3.530 563 HG SER 67 HG SER 67 -16.944 -21.480 -4.134 564 HB2 SER 67 2HB SER 67 -15.515 -20.038 -3.595 565 HB3 SER 67 3HB SER 67 -15.298 -19.857 -5.333 566 H LEU 68 H LEU 68 -14.741 -23.376 -5.073 567 HA LEU 68 HA LEU 68 -13.200 -23.504 -7.598 568 HG LEU 68 HG LEU 68 -11.870 -24.608 -4.973 569 HB2 LEU 68 2HB LEU 68 -13.895 -25.757 -5.706 570 HB3 LEU 68 3HB LEU 68 -13.212 -25.994 -7.304 571 HD11 LEU 68 1HD1 LEU 68 -10.311 -26.496 -5.060 572 HD12 LEU 68 2HD1 LEU 68 -11.269 -27.234 -6.343 573 HD13 LEU 68 3HD1 LEU 68 -11.958 -27.031 -4.731 574 HD21 LEU 68 3HD2 LEU 68 -11.237 -23.534 -7.066 575 HD22 LEU 68 1HD2 LEU 68 -10.852 -25.101 -7.779 576 HD23 LEU 68 2HD2 LEU 68 -9.893 -24.482 -6.434 577 H SER 69 H SER 69 -14.336 -23.828 -9.414 578 HA SER 69 HA SER 69 -17.218 -23.981 -9.295 579 HG SER 69 HG SER 69 -17.179 -24.192 -12.800 580 HB2 SER 69 2HB SER 69 -16.091 -22.574 -10.985 581 HB3 SER 69 3HB SER 69 -15.392 -24.020 -11.715 582 H GLU 70 H GLU 70 -18.491 -25.712 -9.570 583 HA GLU 70 HA GLU 70 -19.164 -27.877 -9.749 584 HB2 GLU 70 2HB GLU 70 -17.187 -28.004 -12.038 585 HB3 GLU 70 3HB GLU 70 -18.644 -28.969 -11.834 586 HG2 GLU 70 2HG GLU 70 -18.455 -26.025 -12.446 587 HG3 GLU 70 3HG GLU 70 -19.085 -27.303 -13.479 588 H SER 71 H SER 71 -16.967 -27.426 -7.938 589 HA SER 71 HA SER 71 -15.496 -28.529 -6.605 590 HG SER 71 HG SER 71 -17.549 -31.107 -8.423 591 HB2 SER 71 2HB SER 71 -15.916 -30.847 -6.137 592 HB3 SER 71 3HB SER 71 -17.471 -30.095 -6.481 593 H GLY 72 H GLY 72 -14.681 -27.992 -9.452 594 HA2 GLY 72 2HA GLY 72 -12.241 -29.604 -9.385 595 HA3 GLY 72 3HA GLY 72 -13.256 -29.809 -10.799 596 H ARG 73 H ARG 73 -14.057 -27.207 -11.295 597 HA ARG 73 HA ARG 73 -11.627 -26.097 -12.417 598 HE ARG 73 HE ARG 73 -15.170 -27.920 -15.827 599 HB2 ARG 73 2HB ARG 73 -14.538 -25.308 -12.635 600 HB3 ARG 73 3HB ARG 73 -13.251 -24.361 -13.360 601 HG2 ARG 73 2HG ARG 73 -14.264 -25.762 -15.028 602 HG3 ARG 73 3HG ARG 73 -12.615 -26.309 -14.734 603 HD2 ARG 73 2HD ARG 73 -13.363 -28.199 -13.511 604 HD3 ARG 73 3HD ARG 73 -15.007 -27.567 -13.401 605 HH11 ARG 73 1HH1 ARG 73 -12.712 -29.654 -14.124 606 HH12 ARG 73 2HH1 ARG 73 -12.656 -30.919 -15.301 607 HH21 ARG 73 1HH2 ARG 73 -15.074 -29.535 -17.305 608 HH22 ARG 73 2HH2 ARG 73 -13.990 -30.861 -17.074 609 H VAL 74 H VAL 74 -11.370 -23.620 -12.336 610 HA VAL 74 HA VAL 74 -11.343 -22.756 -9.551 611 HB VAL 74 HB VAL 74 -10.272 -21.426 -12.056 612 HG11 VAL 74 1HG1 VAL 74 -9.947 -20.638 -9.164 613 HG12 VAL 74 2HG1 VAL 74 -10.770 -19.722 -10.426 614 HG13 VAL 74 3HG1 VAL 74 -9.023 -19.956 -10.501 615 HG21 VAL 74 3HG2 VAL 74 -9.097 -23.484 -11.511 616 HG22 VAL 74 1HG2 VAL 74 -8.849 -22.932 -9.854 617 HG23 VAL 74 2HG2 VAL 74 -8.067 -22.088 -11.192 618 H ARG 75 H ARG 75 -12.415 -20.926 -8.725 619 HA ARG 75 HA ARG 75 -14.420 -19.664 -10.497 620 HE ARG 75 HE ARG 75 -17.374 -18.938 -8.033 621 HB2 ARG 75 2HB ARG 75 -14.517 -20.379 -7.591 622 HB3 ARG 75 3HB ARG 75 -15.486 -19.037 -8.185 623 HG2 ARG 75 2HG ARG 75 -16.509 -20.611 -9.838 624 HG3 ARG 75 3HG ARG 75 -15.652 -21.923 -9.023 625 HD2 ARG 75 2HD ARG 75 -18.015 -21.620 -8.265 626 HD3 ARG 75 3HD ARG 75 -16.823 -21.502 -6.969 627 HH11 ARG 75 1HH1 ARG 75 -18.770 -21.352 -6.005 628 HH12 ARG 75 2HH1 ARG 75 -19.647 -20.193 -5.067 629 HH21 ARG 75 1HH2 ARG 75 -18.514 -17.490 -6.868 630 HH22 ARG 75 2HH2 ARG 75 -19.542 -18.025 -5.584 631 H GLU 76 H GLU 76 -13.789 -18.378 -7.323 632 HA GLU 76 HA GLU 76 -12.735 -15.928 -8.534 633 HB2 GLU 76 2HB GLU 76 -13.732 -16.426 -5.715 634 HB3 GLU 76 3HB GLU 76 -13.232 -14.872 -6.363 635 HG2 GLU 76 2HG GLU 76 -15.576 -14.845 -6.391 636 HG3 GLU 76 3HG GLU 76 -15.092 -15.122 -8.061 637 H PHE 77 H PHE 77 -10.773 -15.073 -8.034 638 HA PHE 77 HA PHE 77 -8.982 -16.676 -6.312 639 HD1 PHE 77 HD1 PHE 77 -7.314 -18.363 -7.497 640 HD2 PHE 77 HD2 PHE 77 -5.914 -14.386 -8.101 641 HE1 PHE 77 HE1 PHE 77 -5.019 -19.101 -7.016 642 HE2 PHE 77 HE2 PHE 77 -3.624 -15.120 -7.616 643 HZ PHE 77 HZ PHE 77 -3.168 -17.478 -7.073 644 HB2 PHE 77 2HB PHE 77 -8.589 -16.584 -8.853 645 HB3 PHE 77 3HB PHE 77 -8.126 -14.907 -8.612 646 H GLU 78 H GLU 78 -8.646 -15.624 -4.412 647 HA GLU 78 HA GLU 78 -9.163 -12.812 -4.142 648 HB2 GLU 78 2HB GLU 78 -9.783 -14.280 -2.317 649 HB3 GLU 78 3HB GLU 78 -8.123 -14.838 -2.145 650 HG2 GLU 78 2HG GLU 78 -7.423 -12.622 -1.417 651 HG3 GLU 78 3HG GLU 78 -9.054 -12.003 -1.661 652 H LEU 79 H LEU 79 -7.740 -11.428 -4.993 653 HA LEU 79 HA LEU 79 -4.869 -11.719 -4.554 654 HG LEU 79 HG LEU 79 -6.752 -11.369 -7.165 655 HB2 LEU 79 2HB LEU 79 -6.401 -9.392 -5.748 656 HB3 LEU 79 3HB LEU 79 -4.665 -9.643 -5.820 657 HD11 LEU 79 1HD1 LEU 79 -5.877 -10.454 -9.248 658 HD12 LEU 79 2HD1 LEU 79 -4.772 -9.418 -8.343 659 HD13 LEU 79 3HD1 LEU 79 -6.515 -9.175 -8.214 660 HD21 LEU 79 3HD2 LEU 79 -4.858 -12.489 -8.231 661 HD22 LEU 79 1HD2 LEU 79 -4.811 -12.678 -6.479 662 HD23 LEU 79 2HD2 LEU 79 -3.737 -11.522 -7.269 663 H VAL 80 H VAL 80 -4.211 -11.306 -2.485 664 HA VAL 80 HA VAL 80 -5.530 -9.095 -1.039 665 HB VAL 80 HB VAL 80 -6.134 -11.181 -0.014 666 HG11 VAL 80 1HG1 VAL 80 -4.490 -12.737 0.930 667 HG12 VAL 80 2HG1 VAL 80 -3.182 -11.765 0.256 668 HG13 VAL 80 3HG1 VAL 80 -4.312 -12.589 -0.819 669 HG21 VAL 80 3HG2 VAL 80 -5.744 -9.303 1.500 670 HG22 VAL 80 1HG2 VAL 80 -4.052 -9.773 1.667 671 HG23 VAL 80 2HG2 VAL 80 -5.325 -10.831 2.276 672 H TYR 81 H TYR 81 -4.283 -7.385 -0.863 673 HA TYR 81 HA TYR 81 -1.378 -7.686 -0.426 674 HD1 TYR 81 HD2 TYR 81 0.330 -6.805 -2.209 675 HD2 TYR 81 HD1 TYR 81 -1.553 -3.383 -0.514 676 HE1 TYR 81 HE2 TYR 81 2.491 -5.639 -2.176 677 HE2 TYR 81 HE1 TYR 81 0.607 -2.207 -0.480 678 HH TYR 81 HH TYR 81 3.290 -3.250 -2.190 679 HB2 TYR 81 2HB TYR 81 -2.215 -6.325 -2.394 680 HB3 TYR 81 3HB TYR 81 -2.884 -5.185 -1.235 681 H ARG 82 H ARG 82 -0.572 -7.208 1.545 682 HA ARG 82 HA ARG 82 -2.352 -5.876 3.495 683 HE ARG 82 HE ARG 82 -2.668 -11.451 3.440 684 HB2 ARG 82 2HB ARG 82 -0.246 -7.955 4.110 685 HB3 ARG 82 3HB ARG 82 -1.447 -7.302 5.217 686 HG2 ARG 82 2HG ARG 82 -3.229 -8.369 3.904 687 HG3 ARG 82 3HG ARG 82 -2.012 -9.021 2.803 688 HD2 ARG 82 2HD ARG 82 -0.985 -10.216 4.722 689 HD3 ARG 82 3HD ARG 82 -2.301 -9.644 5.745 690 HH11 ARG 82 1HH1 ARG 82 -3.553 -10.339 6.569 691 HH12 ARG 82 2HH1 ARG 82 -4.702 -11.609 6.818 692 HH21 ARG 82 1HH2 ARG 82 -4.134 -13.085 3.761 693 HH22 ARG 82 2HH2 ARG 82 -5.032 -13.145 5.243 694 H VAL 83 H VAL 83 -1.620 -3.928 4.079 695 HA VAL 83 HA VAL 83 1.291 -3.434 4.161 696 HB VAL 83 HB VAL 83 -0.960 -1.403 4.168 697 HG11 VAL 83 1HG1 VAL 83 2.029 -1.041 3.879 698 HG12 VAL 83 2HG1 VAL 83 1.048 -0.577 5.271 699 HG13 VAL 83 3HG1 VAL 83 0.819 0.236 3.724 700 HG21 VAL 83 3HG2 VAL 83 -0.299 -0.929 1.844 701 HG22 VAL 83 1HG2 VAL 83 -0.886 -2.582 2.042 702 HG23 VAL 83 2HG2 VAL 83 0.846 -2.272 1.904 703 H ALA 84 H ALA 84 2.290 -2.811 6.051 704 HA ALA 84 HA ALA 84 0.632 -2.211 8.415 705 HB1 ALA 84 3HB ALA 84 2.036 -3.654 9.824 706 HB2 ALA 84 1HB ALA 84 2.921 -4.188 8.392 707 HB3 ALA 84 2HB ALA 84 1.209 -4.580 8.570 708 H ALA 85 H ALA 85 1.412 -0.554 9.654 709 HA ALA 85 HA ALA 85 4.164 0.265 9.655 710 HB1 ALA 85 3HB ALA 85 3.902 2.410 8.533 711 HB2 ALA 85 1HB ALA 85 2.210 2.045 8.191 712 HB3 ALA 85 2HB ALA 85 3.488 1.091 7.438 713 H ARG 86 H ARG 86 4.502 2.313 10.899 714 HA ARG 86 HA ARG 86 2.226 3.128 12.579 715 HE ARG 86 HE ARG 86 3.390 -1.240 15.283 716 HB2 ARG 86 2HB ARG 86 5.000 2.454 13.593 717 HB3 ARG 86 3HB ARG 86 3.773 3.276 14.550 718 HG2 ARG 86 2HG ARG 86 2.293 1.288 14.218 719 HG3 ARG 86 3HG ARG 86 3.652 0.469 13.451 720 HD2 ARG 86 2HD ARG 86 4.961 0.727 15.517 721 HD3 ARG 86 3HD ARG 86 3.586 1.526 16.283 722 HH11 ARG 86 1HH1 ARG 86 3.057 1.046 17.852 723 HH12 ARG 86 2HH1 ARG 86 2.330 -0.099 18.917 724 HH21 ARG 86 1HH2 ARG 86 2.487 -2.697 16.671 725 HH22 ARG 86 2HH2 ARG 86 2.016 -2.195 18.258 726 H LEU 87 H LEU 87 2.542 5.267 13.617 727 HA LEU 87 HA LEU 87 4.158 7.010 11.856 728 HG LEU 87 HG LEU 87 2.978 8.684 10.568 729 HB2 LEU 87 2HB LEU 87 1.547 6.899 11.687 730 HB3 LEU 87 3HB LEU 87 1.586 7.890 13.130 731 HD11 LEU 87 1HD1 LEU 87 1.043 10.074 10.068 732 HD12 LEU 87 2HD1 LEU 87 0.211 9.458 11.496 733 HD13 LEU 87 3HD1 LEU 87 0.576 8.370 10.152 734 HD21 LEU 87 3HD2 LEU 87 2.852 10.945 11.542 735 HD22 LEU 87 1HD2 LEU 87 3.777 9.841 12.562 736 HD23 LEU 87 2HD2 LEU 87 2.123 10.268 13.000 737 H LEU 88 H LEU 88 5.774 7.913 12.965 738 HA LEU 88 HA LEU 88 5.320 8.791 15.757 739 HG LEU 88 HG LEU 88 5.975 6.342 16.365 740 HB2 LEU 88 2HB LEU 88 7.932 7.796 14.585 741 HB3 LEU 88 3HB LEU 88 7.663 8.297 16.242 742 HD11 LEU 88 1HD1 LEU 88 5.826 5.887 13.968 743 HD12 LEU 88 2HD1 LEU 88 6.412 4.475 14.849 744 HD13 LEU 88 3HD1 LEU 88 7.541 5.477 13.934 745 HD21 LEU 88 3HD2 LEU 88 8.121 6.358 17.529 746 HD22 LEU 88 1HD2 LEU 88 8.925 5.763 16.077 747 HD23 LEU 88 2HD2 LEU 88 7.748 4.751 16.911 748 H ASP 89 H ASP 89 7.116 10.513 16.381 749 HA ASP 89 HA ASP 89 7.384 12.416 14.142 750 HB2 ASP 89 2HB ASP 89 7.690 14.152 15.765 751 HB3 ASP 89 3HB ASP 89 6.315 13.183 16.283 752 H ALA 90 H ALA 90 9.502 13.948 14.805 753 HA ALA 90 HA ALA 90 11.669 12.543 13.751 754 HB1 ALA 90 3HB ALA 90 12.998 14.518 14.233 755 HB2 ALA 90 1HB ALA 90 11.754 15.104 15.339 756 HB3 ALA 90 2HB ALA 90 11.410 14.973 13.614 757 H HIS 91 H HIS 91 10.771 12.993 17.108 758 HA HIS 91 HA HIS 91 13.292 11.849 18.057 759 HD1 HIS 91 HD1 HIS 91 14.145 13.746 20.980 760 HD2 HIS 91 HD2 HIS 91 11.964 15.335 17.827 761 HE1 HIS 91 HE1 HIS 91 15.164 15.990 20.529 762 HE2 HIS 91 HE2 HIS 91 13.995 16.805 18.457 763 HB2 HIS 91 2HB HIS 91 10.940 13.081 19.499 764 HB3 HIS 91 3HB HIS 91 12.259 12.280 20.347 765 H ASN 92 H ASN 92 10.901 10.430 16.654 766 HA ASN 92 HA ASN 92 10.140 8.298 16.562 767 HB2 ASN 92 2HB ASN 92 12.296 7.792 18.627 768 HB3 ASN 92 3HB ASN 92 11.451 6.546 17.715 769 HD21 ASN 92 1HD2 ASN 92 11.910 6.294 15.514 770 HD22 ASN 92 2HD2 ASN 92 13.309 6.999 14.790 771 H ALA 93 H ALA 93 8.985 10.175 18.633 772 HA ALA 93 HA ALA 93 7.957 8.283 20.606 773 HB1 ALA 93 3HB ALA 93 6.748 10.180 21.546 774 HB2 ALA 93 1HB ALA 93 7.241 11.189 20.187 775 HB3 ALA 93 2HB ALA 93 8.449 10.583 21.318 776 H GLU 94 H GLU 94 5.807 7.564 20.689 777 HA GLU 94 HA GLU 94 4.689 7.074 18.121 778 HB2 GLU 94 2HB GLU 94 2.904 5.860 19.386 779 HB3 GLU 94 3HB GLU 94 4.544 5.341 19.749 780 HG2 GLU 94 2HG GLU 94 4.529 6.522 21.836 781 HG3 GLU 94 3HG GLU 94 2.975 7.263 21.460 782 H LEU 95 H LEU 95 4.073 9.045 17.216 783 HA LEU 95 HA LEU 95 2.169 10.815 18.334 784 HG LEU 95 HG LEU 95 4.698 11.425 16.642 785 HB2 LEU 95 2HB LEU 95 2.947 10.223 15.479 786 HB3 LEU 95 3HB LEU 95 1.767 11.455 15.897 787 HD11 LEU 95 1HD1 LEU 95 4.818 13.421 15.235 788 HD12 LEU 95 2HD1 LEU 95 3.106 13.256 14.841 789 HD13 LEU 95 3HD1 LEU 95 4.253 12.025 14.316 790 HD21 LEU 95 3HD2 LEU 95 2.537 13.402 17.388 791 HD22 LEU 95 1HD2 LEU 95 4.268 13.643 17.633 792 HD23 LEU 95 2HD2 LEU 95 3.433 12.351 18.486 793 H ALA 96 H ALA 96 1.826 8.032 16.148 794 HA ALA 96 HA ALA 96 -0.822 7.477 17.141 795 HB1 ALA 96 3HB ALA 96 -1.311 9.253 15.515 796 HB2 ALA 96 1HB ALA 96 -2.005 7.705 15.026 797 HB3 ALA 96 2HB ALA 96 -0.537 8.301 14.247 798 H SER 97 H SER 97 -0.964 5.312 17.246 799 HA SER 97 HA SER 97 0.777 3.583 15.757 800 HG SER 97 HG SER 97 -0.959 0.822 17.256 801 HB2 SER 97 2HB SER 97 -0.026 2.999 18.036 802 HB3 SER 97 3HB SER 97 -1.664 2.843 17.402 803 H LEU 98 H LEU 98 0.429 3.736 13.591 804 HA LEU 98 HA LEU 98 -2.136 3.934 12.393 805 HG LEU 98 HG LEU 98 -1.277 2.845 9.496 806 HB2 LEU 98 2HB LEU 98 -0.036 4.828 11.415 807 HB3 LEU 98 3HB LEU 98 0.499 3.185 11.116 808 HD11 LEU 98 1HD1 LEU 98 -2.821 4.632 8.876 809 HD12 LEU 98 2HD1 LEU 98 -2.155 5.665 10.143 810 HD13 LEU 98 3HD1 LEU 98 -3.022 4.190 10.570 811 HD21 LEU 98 3HD2 LEU 98 -0.595 4.487 7.800 812 HD22 LEU 98 1HD2 LEU 98 0.792 3.862 8.692 813 HD23 LEU 98 2HD2 LEU 98 0.159 5.472 9.057 814 H GLN 99 H GLN 99 -3.379 2.427 11.338 815 HA GLN 99 HA GLN 99 -3.244 -0.236 12.407 816 HB2 GLN 99 2HB GLN 99 -5.409 -0.548 11.300 817 HB3 GLN 99 3HB GLN 99 -5.375 0.960 12.208 818 HG2 GLN 99 2HG GLN 99 -4.990 2.212 10.146 819 HG3 GLN 99 3HG GLN 99 -4.986 0.707 9.225 820 HE21 GLN 99 1HE2 GLN 99 -6.922 -0.367 8.877 821 HE22 GLN 99 2HE2 GLN 99 -8.453 0.395 9.121 822 H GLU 100 H GLU 100 -3.715 -2.155 10.969 823 HA GLU 100 HA GLU 100 -1.943 -2.209 8.661 824 HB2 GLU 100 2HB GLU 100 -2.384 -4.618 8.603 825 HB3 GLU 100 3HB GLU 100 -1.917 -4.113 10.221 826 HG2 GLU 100 2HG GLU 100 -4.226 -4.201 10.953 827 HG3 GLU 100 3HG GLU 100 -4.754 -4.598 9.318 828 H ILE 101 H ILE 101 -2.607 -2.771 6.548 829 HA ILE 101 HA ILE 101 -5.465 -2.246 5.988 830 HB ILE 101 HB ILE 101 -3.107 -1.534 4.223 831 HG12 ILE 101 2HG1 ILE 101 -4.870 0.267 5.920 832 HG13 ILE 101 3HG1 ILE 101 -3.198 -0.151 6.278 833 HG21 ILE 101 1HG2 ILE 101 -5.113 -1.997 2.932 834 HG22 ILE 101 2HG2 ILE 101 -4.776 -0.266 2.915 835 HG23 ILE 101 3HG2 ILE 101 -6.054 -0.908 3.950 836 HD11 ILE 101 3HD1 ILE 101 -3.328 2.057 5.320 837 HD12 ILE 101 1HD1 ILE 101 -4.176 1.426 3.907 838 HD13 ILE 101 2HD1 ILE 101 -2.498 0.970 4.205 839 H ARG 102 H ARG 102 -6.355 -4.207 5.510 840 HA ARG 102 HA ARG 102 -4.896 -6.057 3.751 841 HE ARG 102 HE ARG 102 -6.576 -11.117 4.750 842 HB2 ARG 102 2HB ARG 102 -5.935 -6.935 5.858 843 HB3 ARG 102 3HB ARG 102 -7.516 -6.524 5.204 844 HG2 ARG 102 2HG ARG 102 -7.004 -8.046 3.265 845 HG3 ARG 102 3HG ARG 102 -5.561 -8.559 4.139 846 HD2 ARG 102 2HD ARG 102 -7.047 -9.244 6.040 847 HD3 ARG 102 3HD ARG 102 -8.438 -8.892 5.013 848 HH11 ARG 102 1HH1 ARG 102 -9.327 -9.455 3.503 849 HH12 ARG 102 2HH1 ARG 102 -9.735 -10.743 2.422 850 HH21 ARG 102 1HH2 ARG 102 -7.152 -12.760 3.385 851 HH22 ARG 102 2HH2 ARG 102 -8.529 -12.578 2.351 852 H LEU 103 H LEU 103 -5.138 -5.212 1.693 853 HA LEU 103 HA LEU 103 -7.815 -4.554 0.712 854 HG LEU 103 HG LEU 103 -5.290 -2.665 1.027 855 HB2 LEU 103 2HB LEU 103 -5.117 -4.437 -0.648 856 HB3 LEU 103 3HB LEU 103 -6.626 -3.924 -1.377 857 HD11 LEU 103 1HD1 LEU 103 -4.165 -2.146 -1.064 858 HD12 LEU 103 2HD1 LEU 103 -5.016 -0.727 -0.452 859 HD13 LEU 103 3HD1 LEU 103 -5.697 -1.654 -1.789 860 HD21 LEU 103 3HD2 LEU 103 -7.872 -1.943 -0.364 861 HD22 LEU 103 1HD2 LEU 103 -7.071 -0.969 0.869 862 HD23 LEU 103 2HD2 LEU 103 -7.700 -2.564 1.279 863 H THR 104 H THR 104 -8.903 -5.696 -0.887 864 HA THR 104 HA THR 104 -7.704 -8.219 -1.827 865 HB THR 104 HB THR 104 -9.830 -9.434 -1.429 866 HG1 THR 104 HG1 THR 104 -10.570 -6.930 -0.355 867 HG21 THR 104 3HG2 THR 104 -8.620 -8.232 1.065 868 HG22 THR 104 1HG2 THR 104 -8.008 -9.636 0.189 869 HG23 THR 104 2HG2 THR 104 -9.577 -9.713 0.992 870 H ARG 105 H ARG 105 -8.195 -8.758 -3.890 871 HA ARG 105 HA ARG 105 -10.448 -7.386 -5.201 872 HE ARG 105 HE ARG 105 -10.476 -5.649 -5.040 873 HB2 ARG 105 2HB ARG 105 -8.037 -6.453 -5.696 874 HB3 ARG 105 3HB ARG 105 -7.904 -7.870 -6.724 875 HG2 ARG 105 2HG ARG 105 -8.644 -6.299 -8.223 876 HG3 ARG 105 3HG ARG 105 -10.173 -7.016 -7.714 877 HD2 ARG 105 2HD ARG 105 -8.960 -4.446 -6.677 878 HD3 ARG 105 3HD ARG 105 -10.323 -4.577 -7.783 879 HH11 ARG 105 1HH1 ARG 105 -11.671 -3.584 -7.530 880 HH12 ARG 105 2HH1 ARG 105 -13.110 -3.185 -6.656 881 HH21 ARG 105 1HH2 ARG 105 -12.297 -5.078 -3.909 882 HH22 ARG 105 2HH2 ARG 105 -13.442 -3.994 -4.619 883 H ILE 106 H ILE 106 -11.758 -8.765 -6.247 884 HA ILE 106 HA ILE 106 -11.124 -11.577 -6.287 885 HB ILE 106 HB ILE 106 -13.573 -10.092 -7.265 886 HG12 ILE 106 2HG1 ILE 106 -13.253 -9.944 -4.842 887 HG13 ILE 106 3HG1 ILE 106 -14.627 -10.977 -5.213 888 HG21 ILE 106 1HG2 ILE 106 -14.679 -12.305 -7.284 889 HG22 ILE 106 2HG2 ILE 106 -13.115 -13.063 -6.976 890 HG23 ILE 106 3HG2 ILE 106 -13.386 -12.177 -8.476 891 HD11 ILE 106 3HD1 ILE 106 -13.312 -11.896 -3.405 892 HD12 ILE 106 1HD1 ILE 106 -11.872 -11.902 -4.422 893 HD13 ILE 106 2HD1 ILE 106 -13.233 -12.953 -4.815 894 H LEU 107 H LEU 107 -9.784 -12.312 -7.820 895 HA LEU 107 HA LEU 107 -10.002 -11.399 -10.587 896 HG LEU 107 HG LEU 107 -6.545 -12.728 -11.178 897 HB2 LEU 107 2HB LEU 107 -7.803 -11.839 -9.348 898 HB3 LEU 107 3HB LEU 107 -8.175 -13.542 -9.481 899 HD11 LEU 107 1HD1 LEU 107 -7.517 -13.832 -13.102 900 HD12 LEU 107 2HD1 LEU 107 -9.125 -13.713 -12.392 901 HD13 LEU 107 3HD1 LEU 107 -7.898 -14.726 -11.631 902 HD21 LEU 107 3HD2 LEU 107 -8.890 -11.160 -12.255 903 HD22 LEU 107 1HD2 LEU 107 -7.320 -11.346 -13.037 904 HD23 LEU 107 2HD2 LEU 107 -7.445 -10.486 -11.505 905 HA PRO 108 HA PRO 108 -12.847 -14.918 -11.089 906 HB2 PRO 108 2HB PRO 108 -14.039 -14.095 -13.351 907 HB3 PRO 108 3HB PRO 108 -14.377 -13.323 -11.797 908 HG2 PRO 108 2HG PRO 108 -12.562 -12.413 -14.008 909 HG3 PRO 108 3HG PRO 108 -13.710 -11.466 -13.042 910 HD2 PRO 108 2HD PRO 108 -11.004 -11.562 -12.544 911 HD3 PRO 108 3HD PRO 108 -12.227 -11.218 -11.304 912 H PHE 109 H PHE 109 -12.711 -16.824 -12.218 913 HA PHE 109 HA PHE 109 -10.427 -17.274 -13.880 914 HD1 PHE 109 HD1 PHE 109 -9.163 -19.447 -14.114 915 HD2 PHE 109 HD2 PHE 109 -13.187 -20.762 -14.598 916 HE1 PHE 109 HE1 PHE 109 -8.403 -21.207 -15.656 917 HE2 PHE 109 HE2 PHE 109 -12.429 -22.523 -16.137 918 HZ PHE 109 HZ PHE 109 -10.036 -22.744 -16.669 919 HB2 PHE 109 2HB PHE 109 -11.153 -19.012 -12.377 920 HB3 PHE 109 3HB PHE 109 -12.752 -19.056 -13.111 921 H LEU 110 H LEU 110 -10.253 -16.991 -16.004 922 HA LEU 110 HA LEU 110 -12.624 -17.410 -17.720 923 HG LEU 110 HG LEU 110 -13.490 -15.182 -18.301 924 HB2 LEU 110 2HB LEU 110 -10.487 -15.302 -17.928 925 HB3 LEU 110 3HB LEU 110 -11.316 -15.857 -19.368 926 HD11 LEU 110 1HD1 LEU 110 -12.853 -15.204 -15.972 927 HD12 LEU 110 2HD1 LEU 110 -13.408 -13.594 -16.425 928 HD13 LEU 110 3HD1 LEU 110 -11.684 -13.914 -16.247 929 HD21 LEU 110 3HD2 LEU 110 -13.198 -12.793 -18.725 930 HD22 LEU 110 1HD2 LEU 110 -12.387 -13.766 -19.951 931 HD23 LEU 110 2HD2 LEU 110 -11.447 -12.991 -18.676 932 H ASP 111 H ASP 111 -12.424 -19.074 -19.046 933 HA ASP 111 HA ASP 111 -10.152 -20.735 -19.059 934 HB2 ASP 111 2HB ASP 111 -12.446 -20.765 -21.030 935 HB3 ASP 111 3HB ASP 111 -11.386 -22.111 -20.622 936 H ALA 112 H ALA 112 -11.599 -19.088 -21.895 937 HA ALA 112 HA ALA 112 -9.302 -19.749 -23.508 938 HB1 ALA 112 3HB ALA 112 -11.569 -19.864 -24.425 939 HB2 ALA 112 1HB ALA 112 -10.551 -18.758 -25.348 940 HB3 ALA 112 2HB ALA 112 -11.742 -18.122 -24.215 941 H GLN 113 H GLN 113 -10.718 -16.740 -22.264 942 HA GLN 113 HA GLN 113 -9.240 -14.896 -23.708 943 HB2 GLN 113 2HB GLN 113 -10.370 -14.714 -20.916 944 HB3 GLN 113 3HB GLN 113 -9.709 -13.336 -21.786 945 HG2 GLN 113 2HG GLN 113 -12.013 -15.026 -22.751 946 HG3 GLN 113 3HG GLN 113 -12.178 -13.494 -21.892 947 HE21 GLN 113 1HE2 GLN 113 -13.027 -14.238 -24.598 948 HE22 GLN 113 2HE2 GLN 113 -12.264 -13.106 -25.656 949 H GLU 114 H GLU 114 -7.080 -15.082 -23.957 950 HA GLU 114 HA GLU 114 -5.287 -15.744 -21.817 951 HB2 GLU 114 2HB GLU 114 -3.490 -15.262 -23.489 952 HB3 GLU 114 3HB GLU 114 -4.684 -16.426 -24.040 953 HG2 GLU 114 2HG GLU 114 -5.755 -14.732 -25.407 954 HG3 GLU 114 3HG GLU 114 -4.640 -13.509 -24.802 955 H LEU 115 H LEU 115 -5.786 -12.702 -23.672 956 HA LEU 115 HA LEU 115 -3.894 -11.230 -22.156 957 HG LEU 115 HG LEU 115 -4.150 -9.225 -25.199 958 HB2 LEU 115 2HB LEU 115 -5.905 -10.601 -24.229 959 HB3 LEU 115 3HB LEU 115 -5.502 -9.275 -23.157 960 HD11 LEU 115 1HD1 LEU 115 -1.946 -9.036 -24.147 961 HD12 LEU 115 2HD1 LEU 115 -2.552 -9.882 -22.721 962 HD13 LEU 115 3HD1 LEU 115 -3.207 -8.301 -23.156 963 HD21 LEU 115 3HD2 LEU 115 -3.035 -11.869 -24.267 964 HD22 LEU 115 1HD2 LEU 115 -2.494 -10.934 -25.663 965 HD23 LEU 115 2HD2 LEU 115 -4.112 -11.636 -25.644 966 H ALA 116 H ALA 116 -7.309 -11.838 -21.726 967 HA ALA 116 HA ALA 116 -7.924 -9.863 -19.854 968 HB1 ALA 116 3HB ALA 116 -8.999 -12.683 -19.939 969 HB2 ALA 116 1HB ALA 116 -9.602 -11.325 -20.889 970 HB3 ALA 116 2HB ALA 116 -9.744 -11.302 -19.131 971 H LYS 117 H LYS 117 -6.731 -13.192 -19.224 972 HA LYS 117 HA LYS 117 -6.625 -12.765 -16.394 973 HB2 LYS 117 2HB LYS 117 -5.414 -14.966 -18.070 974 HB3 LYS 117 3HB LYS 117 -5.513 -14.971 -16.315 975 HG2 LYS 117 2HG LYS 117 -7.833 -15.005 -18.245 976 HG3 LYS 117 3HG LYS 117 -7.263 -16.352 -17.262 977 HD2 LYS 117 2HD LYS 117 -9.031 -15.622 -15.980 978 HD3 LYS 117 3HD LYS 117 -7.726 -14.677 -15.268 979 HE2 LYS 117 2HE LYS 117 -8.375 -12.779 -16.747 980 HE3 LYS 117 3HE LYS 117 -9.731 -13.737 -17.327 981 HZ1 LYS 117 3HZ LYS 117 -9.299 -12.908 -14.512 982 HZ2 LYS 117 1HZ LYS 117 -10.619 -13.784 -15.097 983 HZ3 LYS 117 2HZ LYS 117 -10.379 -12.183 -15.589 984 H ALA 118 H ALA 118 -4.370 -12.198 -18.961 985 HA ALA 118 HA ALA 118 -2.078 -11.913 -17.224 986 HB1 ALA 118 3HB ALA 118 -0.953 -11.009 -19.207 987 HB2 ALA 118 1HB ALA 118 -2.492 -10.970 -20.066 988 HB3 ALA 118 2HB ALA 118 -1.794 -12.515 -19.582 989 H ALA 119 H ALA 119 -4.255 -9.683 -18.922 990 HA ALA 119 HA ALA 119 -3.033 -7.297 -17.973 991 HB1 ALA 119 3HB ALA 119 -4.958 -6.154 -18.962 992 HB2 ALA 119 1HB ALA 119 -5.765 -7.705 -19.184 993 HB3 ALA 119 2HB ALA 119 -4.280 -7.349 -20.066 994 H GLU 120 H GLU 120 -6.085 -8.949 -17.043 995 HA GLU 120 HA GLU 120 -6.938 -7.200 -15.064 996 HB2 GLU 120 2HB GLU 120 -7.195 -10.204 -15.245 997 HB3 GLU 120 3HB GLU 120 -7.952 -9.273 -13.962 998 HG2 GLU 120 2HG GLU 120 -9.301 -8.070 -15.572 999 HG3 GLU 120 3HG GLU 120 -8.474 -8.877 -16.905 1000 H GLU 121 H GLU 121 -4.867 -10.063 -14.607 1001 HA GLU 121 HA GLU 121 -4.396 -9.867 -11.885 1002 HB2 GLU 121 2HB GLU 121 -3.750 -11.699 -13.553 1003 HB3 GLU 121 3HB GLU 121 -2.323 -10.744 -13.907 1004 HG2 GLU 121 2HG GLU 121 -2.967 -11.616 -11.110 1005 HG3 GLU 121 3HG GLU 121 -2.149 -12.689 -12.238 1006 H GLU 122 H GLU 122 -2.660 -8.294 -14.547 1007 HA GLU 122 HA GLU 122 -0.692 -7.037 -12.914 1008 HB2 GLU 122 2HB GLU 122 -0.328 -7.485 -15.304 1009 HB3 GLU 122 3HB GLU 122 -1.619 -6.362 -15.716 1010 HG2 GLU 122 2HG GLU 122 -0.293 -4.552 -14.610 1011 HG3 GLU 122 3HG GLU 122 1.024 -5.705 -14.425 1012 H MET 123 H MET 123 -3.603 -5.728 -14.558 1013 HA MET 123 HA MET 123 -3.262 -3.079 -13.695 1014 HB2 MET 123 2HB MET 123 -5.491 -2.640 -14.455 1015 HB3 MET 123 3HB MET 123 -4.763 -3.787 -15.569 1016 HG2 MET 123 2HG MET 123 -6.012 -5.601 -14.595 1017 HG3 MET 123 3HG MET 123 -6.653 -4.536 -13.345 1018 HE1 MET 123 3HE MET 123 -8.535 -6.386 -15.111 1019 HE2 MET 123 1HE MET 123 -9.834 -5.266 -15.519 1020 HE3 MET 123 2HE MET 123 -9.155 -5.273 -13.893 1021 H LEU 124 H LEU 124 -5.005 -5.777 -12.198 1022 HA LEU 124 HA LEU 124 -6.197 -4.206 -10.141 1023 HG LEU 124 HG LEU 124 -7.192 -6.588 -12.000 1024 HB2 LEU 124 2HB LEU 124 -5.633 -7.176 -10.213 1025 HB3 LEU 124 3HB LEU 124 -6.650 -6.371 -9.031 1026 HD11 LEU 124 1HD1 LEU 124 -9.110 -7.942 -11.313 1027 HD12 LEU 124 2HD1 LEU 124 -8.587 -7.828 -9.632 1028 HD13 LEU 124 3HD1 LEU 124 -7.584 -8.667 -10.814 1029 HD21 LEU 124 3HD2 LEU 124 -9.343 -5.502 -11.503 1030 HD22 LEU 124 1HD2 LEU 124 -7.975 -4.438 -11.174 1031 HD23 LEU 124 2HD2 LEU 124 -8.816 -5.231 -9.842 1032 H TYR 125 H TYR 125 -3.129 -5.932 -10.411 1033 HA TYR 125 HA TYR 125 -2.355 -5.618 -7.689 1034 HD1 TYR 125 HD1 TYR 125 -0.420 -7.603 -6.824 1035 HD2 TYR 125 HD2 TYR 125 1.343 -4.799 -9.507 1036 HE1 TYR 125 HE1 TYR 125 1.576 -7.486 -5.389 1037 HE2 TYR 125 HE2 TYR 125 3.339 -4.683 -8.082 1038 HH TYR 125 HH TYR 125 3.900 -5.076 -5.665 1039 HB2 TYR 125 2HB TYR 125 -1.289 -7.288 -9.134 1040 HB3 TYR 125 3HB TYR 125 -0.634 -6.012 -10.156 1041 H LYS 126 H LYS 126 -1.439 -3.788 -10.637 1042 HA LYS 126 HA LYS 126 0.134 -1.865 -9.307 1043 HB2 LYS 126 2HB LYS 126 0.053 -0.567 -11.333 1044 HB3 LYS 126 3HB LYS 126 0.159 -2.266 -11.774 1045 HG2 LYS 126 2HG LYS 126 -2.266 -2.288 -12.213 1046 HG3 LYS 126 3HG LYS 126 -2.340 -0.573 -11.813 1047 HD2 LYS 126 2HD LYS 126 -2.278 -0.850 -14.219 1048 HD3 LYS 126 3HD LYS 126 -0.781 -0.091 -13.672 1049 HE2 LYS 126 2HE LYS 126 0.387 -2.214 -13.832 1050 HE3 LYS 126 3HE LYS 126 -1.113 -3.039 -14.257 1051 HZ1 LYS 126 3HZ LYS 126 0.240 -0.949 -15.879 1052 HZ2 LYS 126 1HZ LYS 126 -1.201 -1.734 -16.293 1053 HZ3 LYS 126 2HZ LYS 126 0.241 -2.607 -16.202 1054 H ASP 127 H ASP 127 -3.333 -1.931 -10.033 1055 HA ASP 127 HA ASP 127 -3.860 0.716 -9.114 1056 HB2 ASP 127 2HB ASP 127 -5.298 -0.736 -10.664 1057 HB3 ASP 127 3HB ASP 127 -5.865 -1.542 -9.204 1058 H MET 128 H MET 128 -3.764 -2.453 -7.584 1059 HA MET 128 HA MET 128 -4.864 -1.689 -5.078 1060 HB2 MET 128 2HB MET 128 -4.641 -4.042 -5.887 1061 HB3 MET 128 3HB MET 128 -2.902 -3.927 -5.650 1062 HG2 MET 128 2HG MET 128 -3.200 -3.638 -3.276 1063 HG3 MET 128 3HG MET 128 -4.954 -3.592 -3.470 1064 HE1 MET 128 3HE MET 128 -6.405 -5.680 -4.268 1065 HE2 MET 128 1HE MET 128 -5.721 -7.260 -4.641 1066 HE3 MET 128 2HE MET 128 -5.381 -5.883 -5.690 1067 H GLN 129 H GLN 129 -1.499 -1.880 -6.273 1068 HA GLN 129 HA GLN 129 -0.132 -0.913 -4.052 1069 HB2 GLN 129 2HB GLN 129 0.320 -0.465 -7.010 1070 HB3 GLN 129 3HB GLN 129 1.420 0.171 -5.798 1071 HG2 GLN 129 2HG GLN 129 0.736 -2.751 -6.004 1072 HG3 GLN 129 3HG GLN 129 2.071 -2.014 -6.885 1073 HE21 GLN 129 1HE2 GLN 129 2.803 -0.184 -4.744 1074 HE22 GLN 129 2HE2 GLN 129 3.527 -1.148 -3.512 1075 H LYS 130 H LYS 130 -1.637 0.945 -6.681 1076 HA LYS 130 HA LYS 130 -1.240 3.536 -5.767 1077 HB2 LYS 130 2HB LYS 130 -2.166 2.969 -7.980 1078 HB3 LYS 130 3HB LYS 130 -3.651 2.415 -7.219 1079 HG2 LYS 130 2HG LYS 130 -3.809 4.815 -6.274 1080 HG3 LYS 130 3HG LYS 130 -2.607 5.212 -7.506 1081 HD2 LYS 130 2HD LYS 130 -4.778 5.663 -8.412 1082 HD3 LYS 130 3HD LYS 130 -4.143 4.229 -9.220 1083 HE2 LYS 130 2HE LYS 130 -5.471 2.815 -7.685 1084 HE3 LYS 130 3HE LYS 130 -6.142 4.272 -6.953 1085 HZ1 LYS 130 3HZ LYS 130 -6.529 3.302 -9.727 1086 HZ2 LYS 130 1HZ LYS 130 -6.983 4.854 -9.222 1087 HZ3 LYS 130 2HZ LYS 130 -7.701 3.493 -8.528 1088 H ASP 131 H ASP 131 -4.121 1.478 -5.199 1089 HA ASP 131 HA ASP 131 -5.510 3.292 -3.589 1090 HB2 ASP 131 2HB ASP 131 -6.441 1.203 -4.662 1091 HB3 ASP 131 3HB ASP 131 -5.677 0.275 -3.374 1092 H ALA 132 H ALA 132 -3.363 0.618 -2.632 1093 HA ALA 132 HA ALA 132 -3.576 0.797 0.127 1094 HB1 ALA 132 3HB ALA 132 -2.428 -1.027 -1.018 1095 HB2 ALA 132 1HB ALA 132 -1.391 -0.312 0.218 1096 HB3 ALA 132 2HB ALA 132 -1.126 0.068 -1.485 1097 H VAL 133 H VAL 133 -1.141 2.419 -1.943 1098 HA VAL 133 HA VAL 133 0.058 3.826 0.211 1099 HB VAL 133 HB VAL 133 1.218 3.371 -1.939 1100 HG11 VAL 133 1HG1 VAL 133 0.819 4.835 -3.871 1101 HG12 VAL 133 2HG1 VAL 133 -0.569 5.545 -3.041 1102 HG13 VAL 133 3HG1 VAL 133 -0.588 3.838 -3.494 1103 HG21 VAL 133 3HG2 VAL 133 2.372 5.538 -2.083 1104 HG22 VAL 133 1HG2 VAL 133 2.096 5.047 -0.412 1105 HG23 VAL 133 2HG2 VAL 133 1.078 6.285 -1.148 1106 H GLN 134 H GLN 134 -2.641 4.599 -1.933 1107 HA GLN 134 HA GLN 134 -2.925 7.327 -1.158 1108 HB2 GLN 134 2HB GLN 134 -4.940 5.352 -2.247 1109 HB3 GLN 134 3HB GLN 134 -5.303 7.050 -1.965 1110 HG2 GLN 134 2HG GLN 134 -3.229 5.964 -3.864 1111 HG3 GLN 134 3HG GLN 134 -4.797 6.634 -4.305 1112 HE21 GLN 134 1HE2 GLN 134 -1.586 7.355 -3.192 1113 HE22 GLN 134 2HE2 GLN 134 -1.670 9.057 -3.458 1114 H GLN 135 H GLN 135 -4.219 4.299 0.142 1115 HA GLN 135 HA GLN 135 -5.908 5.372 2.116 1116 HB2 GLN 135 2HB GLN 135 -4.302 2.799 2.147 1117 HB3 GLN 135 3HB GLN 135 -5.582 3.186 3.287 1118 HG2 GLN 135 2HG GLN 135 -6.007 3.014 0.312 1119 HG3 GLN 135 3HG GLN 135 -6.225 1.656 1.411 1120 HE21 GLN 135 1HE2 GLN 135 -8.400 1.488 0.895 1121 HE22 GLN 135 2HE2 GLN 135 -9.577 2.621 1.469 1122 H ILE 136 H ILE 136 -2.491 4.370 2.336 1123 HA ILE 136 HA ILE 136 -1.944 5.182 4.944 1124 HB ILE 136 HB ILE 136 -0.079 5.368 2.558 1125 HG12 ILE 136 2HG1 ILE 136 -0.464 3.089 4.525 1126 HG13 ILE 136 3HG1 ILE 136 -1.075 3.106 2.876 1127 HG21 ILE 136 1HG2 ILE 136 1.726 5.158 4.224 1128 HG22 ILE 136 2HG2 ILE 136 0.527 5.229 5.516 1129 HG23 ILE 136 3HG2 ILE 136 0.768 6.620 4.461 1130 HD11 ILE 136 3HD1 ILE 136 0.945 1.794 3.023 1131 HD12 ILE 136 1HD1 ILE 136 1.818 3.168 3.703 1132 HD13 ILE 136 2HD1 ILE 136 1.230 3.233 2.042 1133 H LEU 137 H LEU 137 -1.468 7.049 1.941 1134 HA LEU 137 HA LEU 137 -0.660 9.471 2.996 1135 HG LEU 137 HG LEU 137 -2.385 11.360 1.156 1136 HB2 LEU 137 2HB LEU 137 -0.629 8.957 0.614 1137 HB3 LEU 137 3HB LEU 137 -2.383 8.939 0.568 1138 HD11 LEU 137 1HD1 LEU 137 -0.241 11.481 2.290 1139 HD12 LEU 137 2HD1 LEU 137 -0.292 12.625 0.951 1140 HD13 LEU 137 3HD1 LEU 137 0.603 11.115 0.784 1141 HD21 LEU 137 3HD2 LEU 137 -2.596 10.668 -1.168 1142 HD22 LEU 137 1HD2 LEU 137 -0.840 10.622 -1.334 1143 HD23 LEU 137 2HD2 LEU 137 -1.659 12.156 -1.051 1144 H ARG 138 H ARG 138 -3.969 8.300 2.503 1145 HA ARG 138 HA ARG 138 -5.344 10.636 3.240 1146 HE ARG 138 HE ARG 138 -10.382 9.506 3.849 1147 HB2 ARG 138 2HB ARG 138 -6.454 8.774 2.127 1148 HB3 ARG 138 3HB ARG 138 -6.163 7.732 3.516 1149 HG2 ARG 138 2HG ARG 138 -7.568 9.327 4.875 1150 HG3 ARG 138 3HG ARG 138 -7.996 10.118 3.359 1151 HD2 ARG 138 2HD ARG 138 -8.901 7.974 2.528 1152 HD3 ARG 138 3HD ARG 138 -8.526 7.229 4.083 1153 HH11 ARG 138 1HH1 ARG 138 -9.698 6.310 4.963 1154 HH12 ARG 138 2HH1 ARG 138 -11.134 6.227 5.921 1155 HH21 ARG 138 1HH2 ARG 138 -12.218 9.369 5.071 1156 HH22 ARG 138 2HH2 ARG 138 -12.562 7.926 5.957 1157 H GLN 139 H GLN 139 -4.633 7.741 5.211 1158 HA GLN 139 HA GLN 139 -5.776 8.717 7.579 1159 HB2 GLN 139 2HB GLN 139 -3.595 6.640 7.287 1160 HB3 GLN 139 3HB GLN 139 -4.598 6.880 8.712 1161 HG2 GLN 139 2HG GLN 139 -5.518 5.973 5.989 1162 HG3 GLN 139 3HG GLN 139 -5.408 4.991 7.448 1163 HE21 GLN 139 1HE2 GLN 139 -6.972 5.284 9.086 1164 HE22 GLN 139 2HE2 GLN 139 -8.456 6.115 8.787 1165 H VAL 140 H VAL 140 -2.379 8.780 6.508 1166 HA VAL 140 HA VAL 140 -1.206 9.806 8.819 1167 HB VAL 140 HB VAL 140 -0.410 10.243 5.930 1168 HG11 VAL 140 1HG1 VAL 140 1.837 10.804 6.800 1169 HG12 VAL 140 2HG1 VAL 140 1.191 10.780 8.441 1170 HG13 VAL 140 3HG1 VAL 140 0.617 11.982 7.284 1171 HG21 VAL 140 3HG2 VAL 140 1.241 8.466 6.384 1172 HG22 VAL 140 1HG2 VAL 140 -0.417 7.902 6.596 1173 HG23 VAL 140 2HG2 VAL 140 0.572 8.275 8.007 1174 H SER 141 H SER 141 -2.464 11.648 6.022 1175 HA SER 141 HA SER 141 -1.843 14.192 7.174 1176 HG SER 141 HG SER 141 -3.670 12.597 4.275 1177 HB2 SER 141 2HB SER 141 -3.107 15.136 5.291 1178 HB3 SER 141 3HB SER 141 -2.011 13.874 4.735 1179 H ALA 142 H ALA 142 -4.701 12.138 7.179 1180 HA ALA 142 HA ALA 142 -6.457 14.202 8.164 1181 HB1 ALA 142 3HB ALA 142 -6.893 11.227 7.938 1182 HB2 ALA 142 1HB ALA 142 -7.300 12.435 6.720 1183 HB3 ALA 142 2HB ALA 142 -8.138 12.431 8.270 1184 H PHE 143 H PHE 143 -4.043 12.577 9.744 1185 HA PHE 143 HA PHE 143 -5.353 11.871 12.180 1186 HD1 PHE 143 HD1 PHE 143 -4.800 10.374 13.695 1187 HD2 PHE 143 HD2 PHE 143 -1.846 9.954 10.656 1188 HE1 PHE 143 HE1 PHE 143 -4.978 7.924 13.866 1189 HE2 PHE 143 HE2 PHE 143 -2.017 7.504 10.821 1190 HZ PHE 143 HZ PHE 143 -3.585 6.487 12.425 1191 HB2 PHE 143 2HB PHE 143 -2.526 12.082 11.284 1192 HB3 PHE 143 3HB PHE 143 -2.812 12.189 13.019 1193 H THR 144 H THR 144 -5.152 14.842 10.936 1194 HA THR 144 HA THR 144 -4.509 16.292 13.363 1195 HB THR 144 HB THR 144 -3.931 17.298 11.202 1196 HG1 THR 144 HG1 THR 144 -5.734 19.198 11.745 1197 HG21 THR 144 3HG2 THR 144 -5.764 16.390 9.845 1198 HG22 THR 144 1HG2 THR 144 -5.664 18.143 9.686 1199 HG23 THR 144 2HG2 THR 144 -6.913 17.420 10.700 1200 H SER 145 H SER 145 -7.185 14.595 12.356 1201 HA SER 145 HA SER 145 -8.967 16.096 14.145 1202 HG SER 145 HG SER 145 -9.311 17.353 10.899 1203 HB2 SER 145 2HB SER 145 -9.667 15.332 11.294 1204 HB3 SER 145 3HB SER 145 -10.841 15.885 12.486 1205 H ALA 146 H ALA 146 -11.223 14.793 14.138 1206 HA ALA 146 HA ALA 146 -12.407 12.925 14.657 1207 HB1 ALA 146 3HB ALA 146 -11.681 12.168 12.437 1208 HB2 ALA 146 1HB ALA 146 -11.858 10.827 13.568 1209 HB3 ALA 146 2HB ALA 146 -10.252 11.433 13.163 1210 H GLY 147 H GLY 147 -10.114 13.844 16.411 1211 HA2 GLY 147 2HA GLY 147 -9.080 11.508 17.705 1212 HA3 GLY 147 3HA GLY 147 -9.008 13.151 18.314 1213 H LEU 148 H LEU 148 -11.955 13.471 18.201 1214 HA LEU 148 HA LEU 148 -12.474 12.296 20.825 1215 HG LEU 148 HG LEU 148 -12.315 14.622 21.769 1216 HB2 LEU 148 2HB LEU 148 -13.932 14.402 19.221 1217 HB3 LEU 148 3HB LEU 148 -14.493 13.813 20.773 1218 HD11 LEU 148 1HD1 LEU 148 -11.042 16.300 20.528 1219 HD12 LEU 148 2HD1 LEU 148 -12.030 15.998 19.099 1220 HD13 LEU 148 3HD1 LEU 148 -10.985 14.728 19.732 1221 HD21 LEU 148 3HD2 LEU 148 -14.414 15.864 21.997 1222 HD22 LEU 148 1HD2 LEU 148 -14.085 16.703 20.480 1223 HD23 LEU 148 2HD2 LEU 148 -13.031 16.951 21.872 1224 H GLU 149 H GLU 149 -12.649 10.564 18.421 1225 HA GLU 149 HA GLU 149 -15.439 10.135 17.874 1226 HB2 GLU 149 2HB GLU 149 -12.926 8.683 17.088 1227 HB3 GLU 149 3HB GLU 149 -14.516 8.043 16.694 1228 HG2 GLU 149 2HG GLU 149 -13.516 10.770 15.885 1229 HG3 GLU 149 3HG GLU 149 -13.491 9.339 14.855 1230 H HIS 150 H HIS 150 -14.005 9.534 20.668 1231 HA HIS 150 HA HIS 150 -15.197 6.883 21.113 1232 HD1 HIS 150 HD1 HIS 150 -11.423 8.847 21.533 1233 HD2 HIS 150 HD2 HIS 150 -12.778 4.927 21.798 1234 HE1 HIS 150 HE1 HIS 150 -9.609 7.438 20.521 1235 HE2 HIS 150 HE2 HIS 150 -10.362 5.068 20.889 1236 HB2 HIS 150 2HB HIS 150 -13.511 8.615 22.949 1237 HB3 HIS 150 3HB HIS 150 -14.072 6.986 23.314 1238 H HIS 151 H HIS 151 -17.039 8.885 20.559 1239 HA HIS 151 HA HIS 151 -17.960 10.483 22.620 1240 HD1 HIS 151 HD1 HIS 151 -18.239 10.091 18.338 1241 HD2 HIS 151 HD2 HIS 151 -18.688 12.980 21.283 1242 HE1 HIS 151 HE1 HIS 151 -17.381 12.214 17.325 1243 HE2 HIS 151 HE2 HIS 151 -17.896 13.980 19.038 1244 HB2 HIS 151 2HB HIS 151 -19.460 9.215 20.327 1245 HB3 HIS 151 3HB HIS 151 -20.164 10.430 21.390 1246 H HIS 152 H HIS 152 -19.675 10.360 24.088 1247 HA HIS 152 HA HIS 152 -21.098 7.910 24.591 1248 HD1 HIS 152 HD1 HIS 152 -16.980 8.776 25.429 1249 HD2 HIS 152 HD2 HIS 152 -19.561 9.915 28.485 1250 HE1 HIS 152 HE1 HIS 152 -15.705 10.446 26.801 1251 HE2 HIS 152 HE2 HIS 152 -17.221 10.996 28.724 1252 HB2 HIS 152 2HB HIS 152 -20.213 7.654 26.935 1253 HB3 HIS 152 3HB HIS 152 -19.056 7.251 25.673 1254 H HIS 153 H HIS 153 -23.038 8.379 25.513 1255 HA HIS 153 HA HIS 153 -23.270 10.813 27.156 1256 HD1 HIS 153 HD1 HIS 153 -24.394 9.898 22.905 1257 HD2 HIS 153 HD2 HIS 153 -27.233 9.203 25.857 1258 HE1 HIS 153 HE1 HIS 153 -26.098 8.386 21.856 1259 HE2 HIS 153 HE2 HIS 153 -27.884 8.114 23.609 1260 HB2 HIS 153 2HB HIS 153 -25.391 11.412 26.093 1261 HB3 HIS 153 3HB HIS 153 -24.088 11.385 24.913 1262 H HIS 154 H HIS 154 -24.518 10.641 28.940 1263 HA HIS 154 HA HIS 154 -25.721 9.735 30.625 1264 HD1 HIS 154 HD1 HIS 154 -28.974 9.843 31.113 1265 HD2 HIS 154 HD2 HIS 154 -27.568 11.099 27.406 1266 HE1 HIS 154 HE1 HIS 154 -30.183 11.989 30.624 1267 HE2 HIS 154 HE2 HIS 154 -29.361 12.705 28.360 1268 HB2 HIS 154 2HB HIS 154 -27.077 8.413 28.286 1269 HB3 HIS 154 3HB HIS 154 -27.583 8.086 29.939 1270 H HIS 155 H HIS 155 -24.095 8.706 31.736 1271 HA HIS 155 HA HIS 155 -24.219 5.789 31.678 1272 HD1 HIS 155 HD1 HIS 155 -22.254 3.856 30.131 1273 HD2 HIS 155 HD2 HIS 155 -20.379 5.549 33.435 1274 HE1 HIS 155 HE1 HIS 155 -20.928 2.002 31.183 1275 HE2 HIS 155 HE2 HIS 155 -19.895 3.020 33.236 1276 HB2 HIS 155 2HB HIS 155 -22.332 6.431 30.176 1277 HB3 HIS 155 3HB HIS 155 -21.566 7.250 31.532 Start of MODEL 13 1 HA MET 1 HA MET 1 -23.188 14.063 -2.494 2 H1 MET 1 1H MET 1 -22.082 13.106 -4.416 3 H2 MET 1 2H MET 1 -20.654 13.915 -4.016 4 H3 MET 1 3H MET 1 -22.034 14.795 -4.444 5 HB2 MET 1 2HB MET 1 -20.621 12.564 -1.905 6 HB3 MET 1 3HB MET 1 -21.944 12.761 -0.762 7 HG2 MET 1 2HG MET 1 -21.993 10.574 -1.850 8 HG3 MET 1 3HG MET 1 -23.432 11.524 -2.219 9 HE1 MET 1 3HE MET 1 -23.009 9.562 -5.545 10 HE2 MET 1 1HE MET 1 -24.112 10.038 -4.254 11 HE3 MET 1 2HE MET 1 -22.756 8.964 -3.904 12 H GLY 2 H GLY 2 -23.271 15.623 -0.949 13 HA2 GLY 2 2HA GLY 2 -22.562 17.342 0.444 14 HA3 GLY 2 3HA GLY 2 -20.898 16.971 0.017 15 H PHE 3 H PHE 3 -20.571 19.293 -0.115 16 HA PHE 3 HA PHE 3 -21.648 20.471 -2.598 17 HD1 PHE 3 HD1 PHE 3 -23.542 22.727 -2.367 18 HD2 PHE 3 HD2 PHE 3 -22.578 20.784 1.300 19 HE1 PHE 3 HE1 PHE 3 -25.931 22.650 -1.782 20 HE2 PHE 3 HE2 PHE 3 -24.963 20.708 1.886 21 HZ PHE 3 HZ PHE 3 -26.644 21.640 0.350 22 HB2 PHE 3 2HB PHE 3 -20.857 21.846 -0.020 23 HB3 PHE 3 3HB PHE 3 -21.251 22.700 -1.510 24 H LYS 4 H LYS 4 -20.259 21.840 -3.826 25 HA LYS 4 HA LYS 4 -17.631 20.620 -4.010 26 HB2 LYS 4 2HB LYS 4 -18.926 22.617 -5.877 27 HB3 LYS 4 3HB LYS 4 -17.561 21.563 -6.232 28 HG2 LYS 4 2HG LYS 4 -18.950 19.616 -6.160 29 HG3 LYS 4 3HG LYS 4 -20.315 20.547 -5.543 30 HD2 LYS 4 2HD LYS 4 -20.306 21.849 -7.679 31 HD3 LYS 4 3HD LYS 4 -19.068 20.747 -8.289 32 HE2 LYS 4 2HE LYS 4 -21.327 20.121 -9.045 33 HE3 LYS 4 3HE LYS 4 -20.585 18.865 -8.056 34 HZ1 LYS 4 3HZ LYS 4 -21.888 19.597 -6.179 35 HZ2 LYS 4 1HZ LYS 4 -22.913 19.255 -7.475 36 HZ3 LYS 4 2HZ LYS 4 -22.561 20.859 -7.076 37 H LEU 5 H LEU 5 -16.944 21.790 -1.981 38 HA LEU 5 HA LEU 5 -16.037 24.544 -2.522 39 HG LEU 5 HG LEU 5 -17.603 24.977 0.823 40 HB2 LEU 5 2HB LEU 5 -16.368 22.987 0.041 41 HB3 LEU 5 3HB LEU 5 -15.415 24.456 -0.021 42 HD11 LEU 5 1HD1 LEU 5 -18.299 26.705 -0.731 43 HD12 LEU 5 2HD1 LEU 5 -17.353 25.955 -2.018 44 HD13 LEU 5 3HD1 LEU 5 -16.541 26.643 -0.610 45 HD21 LEU 5 3HD2 LEU 5 -18.846 23.093 -0.102 46 HD22 LEU 5 1HD2 LEU 5 -18.717 23.787 -1.719 47 HD23 LEU 5 2HD2 LEU 5 -19.643 24.620 -0.472 48 H ARG 6 H ARG 6 -14.708 21.682 -0.828 49 HA ARG 6 HA ARG 6 -12.029 22.588 -1.040 50 HE ARG 6 HE ARG 6 -9.211 18.300 0.244 51 HB2 ARG 6 2HB ARG 6 -12.703 21.144 0.780 52 HB3 ARG 6 3HB ARG 6 -13.162 19.872 -0.344 53 HG2 ARG 6 2HG ARG 6 -10.846 19.545 -0.981 54 HG3 ARG 6 3HG ARG 6 -10.349 20.897 0.039 55 HD2 ARG 6 2HD ARG 6 -10.998 19.718 2.029 56 HD3 ARG 6 3HD ARG 6 -11.732 18.424 1.081 57 HH11 ARG 6 1HH1 ARG 6 -10.489 18.550 3.442 58 HH12 ARG 6 2HH1 ARG 6 -9.181 17.675 4.151 59 HH21 ARG 6 1HH2 ARG 6 -7.564 17.143 1.165 60 HH22 ARG 6 2HH2 ARG 6 -7.551 16.878 2.870 61 H GLY 7 H GLY 7 -11.331 22.922 -3.119 62 HA2 GLY 7 2HA GLY 7 -11.498 20.734 -5.068 63 HA3 GLY 7 3HA GLY 7 -10.960 22.375 -5.388 64 H GLN 8 H GLN 8 -9.552 21.110 -2.587 65 HA GLN 8 HA GLN 8 -7.091 20.402 -4.049 66 HB2 GLN 8 2HB GLN 8 -5.881 21.037 -1.964 67 HB3 GLN 8 3HB GLN 8 -6.732 22.367 -2.735 68 HG2 GLN 8 2HG GLN 8 -8.578 22.054 -1.090 69 HG3 GLN 8 3HG GLN 8 -7.575 20.858 -0.267 70 HE21 GLN 8 1HE2 GLN 8 -7.408 22.035 1.613 71 HE22 GLN 8 2HE2 GLN 8 -6.509 23.507 1.726 72 H VAL 9 H VAL 9 -5.663 18.807 -2.887 73 HA VAL 9 HA VAL 9 -7.329 16.469 -2.676 74 HB VAL 9 HB VAL 9 -5.510 16.239 -4.152 75 HG11 VAL 9 1HG1 VAL 9 -3.189 16.574 -3.620 76 HG12 VAL 9 2HG1 VAL 9 -3.573 16.908 -1.937 77 HG13 VAL 9 3HG1 VAL 9 -4.083 18.033 -3.196 78 HG21 VAL 9 3HG2 VAL 9 -4.288 14.307 -3.275 79 HG22 VAL 9 1HG2 VAL 9 -5.997 14.230 -2.849 80 HG23 VAL 9 2HG2 VAL 9 -4.807 14.711 -1.639 81 H SER 10 H SER 10 -4.528 17.457 -0.609 82 HA SER 10 HA SER 10 -5.798 16.560 1.793 83 HG SER 10 HG SER 10 -6.096 14.482 0.153 84 HB2 SER 10 2HB SER 10 -3.720 14.752 0.533 85 HB3 SER 10 3HB SER 10 -4.185 14.659 2.230 86 H GLU 11 H GLU 11 -5.069 18.142 3.055 87 HA GLU 11 HA GLU 11 -2.221 18.892 2.921 88 HB2 GLU 11 2HB GLU 11 -4.539 20.505 4.023 89 HB3 GLU 11 3HB GLU 11 -2.878 21.052 3.851 90 HG2 GLU 11 2HG GLU 11 -4.181 22.007 2.092 91 HG3 GLU 11 3HG GLU 11 -3.095 20.810 1.391 92 H LEU 12 H LEU 12 -0.984 18.248 4.534 93 HA LEU 12 HA LEU 12 -2.182 17.712 7.176 94 HG LEU 12 HG LEU 12 -0.593 16.085 4.456 95 HB2 LEU 12 2HB LEU 12 0.207 16.453 7.352 96 HB3 LEU 12 3HB LEU 12 -1.269 15.682 6.815 97 HD11 LEU 12 1HD1 LEU 12 1.717 16.709 3.953 98 HD12 LEU 12 2HD1 LEU 12 2.003 17.037 5.662 99 HD13 LEU 12 3HD1 LEU 12 0.849 18.016 4.758 100 HD21 LEU 12 3HD2 LEU 12 1.136 14.357 4.384 101 HD22 LEU 12 1HD2 LEU 12 -0.141 13.942 5.527 102 HD23 LEU 12 2HD2 LEU 12 1.408 14.547 6.116 103 HA PRO 13 HA PRO 13 0.024 21.030 9.083 104 HB2 PRO 13 2HB PRO 13 0.721 19.179 11.304 105 HB3 PRO 13 3HB PRO 13 -0.179 20.699 11.347 106 HG2 PRO 13 2HG PRO 13 -1.436 18.360 11.627 107 HG3 PRO 13 3HG PRO 13 -2.173 19.688 10.708 108 HD2 PRO 13 2HD PRO 13 -0.780 17.230 9.700 109 HD3 PRO 13 3HD PRO 13 -2.254 18.017 9.097 110 H PHE 14 H PHE 14 1.697 17.907 9.191 111 HA PHE 14 HA PHE 14 4.303 19.248 9.228 112 HD1 PHE 14 HD1 PHE 14 1.930 16.732 11.312 113 HD2 PHE 14 HD2 PHE 14 4.319 15.007 8.234 114 HE1 PHE 14 HE1 PHE 14 0.421 14.792 11.228 115 HE2 PHE 14 HE2 PHE 14 2.812 13.070 8.145 116 HZ PHE 14 HZ PHE 14 0.861 12.957 9.647 117 HB2 PHE 14 2HB PHE 14 5.149 16.859 9.551 118 HB3 PHE 14 3HB PHE 14 4.194 17.542 10.861 119 H GLU 15 H GLU 15 5.212 19.697 7.311 120 HA GLU 15 HA GLU 15 4.451 18.062 4.978 121 HB2 GLU 15 2HB GLU 15 5.187 20.006 3.618 122 HB3 GLU 15 3HB GLU 15 3.856 20.367 4.708 123 HG2 GLU 15 2HG GLU 15 5.317 21.513 6.221 124 HG3 GLU 15 3HG GLU 15 6.737 21.007 5.304 125 H ARG 16 H ARG 16 6.917 18.064 7.070 126 HA ARG 16 HA ARG 16 8.786 17.100 4.993 127 HE ARG 16 HE ARG 16 13.723 17.585 6.564 128 HB2 ARG 16 2HB ARG 16 9.560 19.259 5.916 129 HB3 ARG 16 3HB ARG 16 9.537 18.569 7.533 130 HG2 ARG 16 2HG ARG 16 11.277 16.968 6.865 131 HG3 ARG 16 3HG ARG 16 11.301 17.680 5.250 132 HD2 ARG 16 2HD ARG 16 11.914 19.860 6.271 133 HD3 ARG 16 3HD ARG 16 12.000 19.063 7.843 134 HH11 ARG 16 1HH1 ARG 16 13.312 20.998 6.368 135 HH12 ARG 16 2HH1 ARG 16 14.953 21.280 5.902 136 HH21 ARG 16 1HH2 ARG 16 15.826 17.959 5.933 137 HH22 ARG 16 2HH2 ARG 16 16.355 19.576 5.640 138 H VAL 17 H VAL 17 8.678 14.938 5.196 139 HA VAL 17 HA VAL 17 8.711 13.777 7.919 140 HB VAL 17 HB VAL 17 7.392 11.884 7.058 141 HG11 VAL 17 1HG1 VAL 17 6.077 14.561 6.566 142 HG12 VAL 17 2HG1 VAL 17 6.253 13.768 8.131 143 HG13 VAL 17 3HG1 VAL 17 5.244 13.037 6.885 144 HG21 VAL 17 3HG2 VAL 17 8.041 11.948 4.711 145 HG22 VAL 17 1HG2 VAL 17 7.226 13.498 4.506 146 HG23 VAL 17 2HG2 VAL 17 6.286 12.048 4.857 147 H TYR 18 H TYR 18 9.811 11.839 8.254 148 HA TYR 18 HA TYR 18 11.748 11.061 6.166 149 HD1 TYR 18 HD1 TYR 18 14.211 10.467 6.284 150 HD2 TYR 18 HD2 TYR 18 12.763 8.732 9.894 151 HE1 TYR 18 HE1 TYR 18 15.889 8.681 6.098 152 HE2 TYR 18 HE2 TYR 18 14.440 6.947 9.714 153 HH TYR 18 HH TYR 18 15.788 5.856 7.979 154 HB2 TYR 18 2HB TYR 18 12.856 11.783 8.188 155 HB3 TYR 18 3HB TYR 18 11.839 10.739 9.176 156 H ILE 19 H ILE 19 11.795 8.960 5.430 157 HA ILE 19 HA ILE 19 9.752 7.130 6.542 158 HB ILE 19 HB ILE 19 9.106 7.900 4.332 159 HG12 ILE 19 2HG1 ILE 19 10.105 5.034 4.295 160 HG13 ILE 19 3HG1 ILE 19 8.550 5.584 4.910 161 HG21 ILE 19 1HG2 ILE 19 11.748 6.802 3.362 162 HG22 ILE 19 2HG2 ILE 19 11.324 8.509 3.494 163 HG23 ILE 19 3HG2 ILE 19 10.470 7.475 2.351 164 HD11 ILE 19 3HD1 ILE 19 8.273 4.587 2.744 165 HD12 ILE 19 1HD1 ILE 19 9.482 5.666 2.049 166 HD13 ILE 19 2HD1 ILE 19 7.949 6.318 2.632 167 H THR 20 H THR 20 10.314 5.025 6.973 168 HA THR 20 HA THR 20 12.966 4.062 6.150 169 HB THR 20 HB THR 20 13.407 4.984 8.338 170 HG1 THR 20 HG1 THR 20 14.441 3.231 9.037 171 HG21 THR 20 3HG2 THR 20 12.232 4.193 10.347 172 HG22 THR 20 1HG2 THR 20 11.140 3.249 9.338 173 HG23 THR 20 2HG2 THR 20 11.132 5.009 9.237 174 H ALA 21 H ALA 21 13.287 1.732 6.653 175 HA ALA 21 HA ALA 21 10.904 0.097 6.924 176 HB1 ALA 21 3HB ALA 21 12.474 0.077 4.338 177 HB2 ALA 21 1HB ALA 21 10.836 0.698 4.549 178 HB3 ALA 21 2HB ALA 21 11.161 -1.023 4.760 179 HA PRO 22 HA PRO 22 14.020 -2.601 8.640 180 HB2 PRO 22 2HB PRO 22 12.602 -4.871 8.910 181 HB3 PRO 22 3HB PRO 22 12.238 -3.433 9.872 182 HG2 PRO 22 2HG PRO 22 10.896 -4.420 7.368 183 HG3 PRO 22 3HG PRO 22 10.155 -3.849 8.879 184 HD2 PRO 22 2HD PRO 22 10.421 -2.267 6.683 185 HD3 PRO 22 3HD PRO 22 10.461 -1.625 8.339 186 H ALA 23 H ALA 23 12.677 -3.112 5.535 187 HA ALA 23 HA ALA 23 14.914 -4.743 4.690 188 HB1 ALA 23 3HB ALA 23 13.402 -6.451 5.570 189 HB2 ALA 23 1HB ALA 23 13.547 -6.584 3.816 190 HB3 ALA 23 2HB ALA 23 12.108 -5.855 4.530 191 H GLY 24 H GLY 24 14.429 -5.435 2.238 192 HA2 GLY 24 2HA GLY 24 13.911 -2.950 0.840 193 HA3 GLY 24 3HA GLY 24 14.471 -4.453 0.129 194 H LEU 25 H LEU 25 11.513 -3.147 1.691 195 HA LEU 25 HA LEU 25 9.833 -4.845 0.024 196 HG LEU 25 HG LEU 25 9.728 -5.441 2.594 197 HB2 LEU 25 2HB LEU 25 8.907 -2.656 1.893 198 HB3 LEU 25 3HB LEU 25 7.952 -3.966 1.234 199 HD11 LEU 25 1HD1 LEU 25 11.044 -3.557 3.381 200 HD12 LEU 25 2HD1 LEU 25 10.267 -4.381 4.731 201 HD13 LEU 25 3HD1 LEU 25 9.616 -2.850 4.138 202 HD21 LEU 25 3HD2 LEU 25 7.350 -4.055 3.837 203 HD22 LEU 25 1HD2 LEU 25 8.110 -5.537 4.421 204 HD23 LEU 25 2HD2 LEU 25 7.301 -5.519 2.855 205 H THR 26 H THR 26 8.879 -4.239 -1.858 206 HA THR 26 HA THR 26 9.412 -1.664 -3.001 207 HB THR 26 HB THR 26 7.989 -2.415 -4.896 208 HG1 THR 26 HG1 THR 26 6.458 -3.722 -4.078 209 HG21 THR 26 3HG2 THR 26 9.979 -4.499 -3.965 210 HG22 THR 26 1HG2 THR 26 10.371 -3.020 -4.845 211 HG23 THR 26 2HG2 THR 26 9.405 -4.277 -5.619 212 H ILE 27 H ILE 27 8.428 -0.472 -1.178 213 HA ILE 27 HA ILE 27 5.692 0.301 -1.835 214 HB ILE 27 HB ILE 27 5.352 -1.404 -0.122 215 HG12 ILE 27 2HG1 ILE 27 4.171 -0.013 1.612 216 HG13 ILE 27 3HG1 ILE 27 4.901 1.417 0.888 217 HG21 ILE 27 1HG2 ILE 27 7.152 0.249 1.651 218 HG22 ILE 27 2HG2 ILE 27 7.532 -1.327 0.959 219 HG23 ILE 27 3HG2 ILE 27 6.238 -1.177 2.146 220 HD11 ILE 27 3HD1 ILE 27 2.627 1.133 0.125 221 HD12 ILE 27 1HD1 ILE 27 3.001 -0.488 -0.459 222 HD13 ILE 27 2HD1 ILE 27 3.750 0.918 -1.217 223 H GLY 28 H GLY 28 8.511 0.866 0.265 224 HA2 GLY 28 2HA GLY 28 7.858 3.518 0.999 225 HA3 GLY 28 3HA GLY 28 9.451 2.790 1.094 226 H SER 29 H SER 29 9.844 2.253 -1.641 227 HA SER 29 HA SER 29 11.062 4.561 -2.540 228 HG SER 29 HG SER 29 12.284 3.423 -5.087 229 HB2 SER 29 2HB SER 29 11.587 2.344 -3.439 230 HB3 SER 29 3HB SER 29 10.005 2.262 -4.210 231 H ASP 30 H ASP 30 7.890 3.293 -3.602 232 HA ASP 30 HA ASP 30 7.331 5.544 -5.268 233 HB2 ASP 30 2HB ASP 30 6.359 3.253 -5.571 234 HB3 ASP 30 3HB ASP 30 5.361 3.540 -4.149 235 H LEU 31 H LEU 31 6.494 4.681 -1.939 236 HA LEU 31 HA LEU 31 4.601 6.657 -1.398 237 HG LEU 31 HG LEU 31 5.575 7.418 1.553 238 HB2 LEU 31 2HB LEU 31 5.114 4.788 0.117 239 HB3 LEU 31 3HB LEU 31 6.677 5.497 0.474 240 HD11 LEU 31 1HD1 LEU 31 2.999 5.956 0.954 241 HD12 LEU 31 2HD1 LEU 31 3.524 7.480 0.236 242 HD13 LEU 31 3HD1 LEU 31 3.159 7.398 1.959 243 HD21 LEU 31 3HD2 LEU 31 4.713 6.253 3.521 244 HD22 LEU 31 1HD2 LEU 31 6.164 5.461 2.907 245 HD23 LEU 31 2HD2 LEU 31 4.578 4.758 2.592 246 H GLU 32 H GLU 32 8.154 6.838 -1.218 247 HA GLU 32 HA GLU 32 8.474 9.404 -0.207 248 HB2 GLU 32 2HB GLU 32 10.100 8.018 -2.356 249 HB3 GLU 32 3HB GLU 32 10.608 9.470 -1.506 250 HG2 GLU 32 2HG GLU 32 10.580 8.222 0.611 251 HG3 GLU 32 3HG GLU 32 10.110 6.768 -0.267 252 H ARG 33 H ARG 33 7.837 8.416 -3.550 253 HA ARG 33 HA ARG 33 7.933 11.046 -4.662 254 HE ARG 33 HE ARG 33 10.511 7.345 -7.122 255 HB2 ARG 33 2HB ARG 33 6.525 8.588 -5.733 256 HB3 ARG 33 3HB ARG 33 6.965 10.021 -6.655 257 HG2 ARG 33 2HG ARG 33 9.325 9.524 -6.348 258 HG3 ARG 33 3HG ARG 33 8.917 8.129 -5.343 259 HD2 ARG 33 2HD ARG 33 7.754 7.107 -7.254 260 HD3 ARG 33 3HD ARG 33 8.194 8.489 -8.259 261 HH11 ARG 33 1HH1 ARG 33 8.104 6.702 -9.499 262 HH12 ARG 33 2HH1 ARG 33 9.171 5.756 -10.477 263 HH21 ARG 33 1HH2 ARG 33 11.860 6.115 -8.359 264 HH22 ARG 33 2HH2 ARG 33 11.281 5.416 -9.831 265 H VAL 34 H VAL 34 5.295 8.904 -3.643 266 HA VAL 34 HA VAL 34 3.132 10.445 -4.496 267 HB VAL 34 HB VAL 34 3.326 8.479 -2.206 268 HG11 VAL 34 1HG1 VAL 34 0.838 9.636 -3.481 269 HG12 VAL 34 2HG1 VAL 34 1.398 9.938 -1.838 270 HG13 VAL 34 3HG1 VAL 34 0.876 8.322 -2.305 271 HG21 VAL 34 3HG2 VAL 34 2.338 8.208 -5.052 272 HG22 VAL 34 1HG2 VAL 34 2.261 6.947 -3.821 273 HG23 VAL 34 2HG2 VAL 34 3.824 7.530 -4.387 274 H ILE 35 H ILE 35 4.765 10.484 -1.316 275 HA ILE 35 HA ILE 35 3.078 12.411 -0.110 276 HB ILE 35 HB ILE 35 5.990 11.830 0.496 277 HG12 ILE 35 2HG1 ILE 35 3.466 10.696 1.744 278 HG13 ILE 35 3HG1 ILE 35 4.540 9.828 0.654 279 HG21 ILE 35 1HG2 ILE 35 3.875 13.208 2.163 280 HG22 ILE 35 2HG2 ILE 35 5.315 13.951 1.464 281 HG23 ILE 35 3HG2 ILE 35 5.477 12.744 2.738 282 HD11 ILE 35 3HD1 ILE 35 5.250 10.862 3.389 283 HD12 ILE 35 1HD1 ILE 35 6.337 9.999 2.300 284 HD13 ILE 35 2HD1 ILE 35 4.916 9.186 2.956 285 H SER 36 H SER 36 5.855 12.742 -2.235 286 HA SER 36 HA SER 36 6.105 15.602 -1.780 287 HG SER 36 HG SER 36 7.640 16.536 -3.285 288 HB2 SER 36 2HB SER 36 8.122 14.289 -2.217 289 HB3 SER 36 3HB SER 36 7.482 13.788 -3.780 290 H THR 37 H THR 37 4.410 13.528 -3.978 291 HA THR 37 HA THR 37 3.941 15.724 -5.884 292 HB THR 37 HB THR 37 2.914 13.974 -7.339 293 HG1 THR 37 HG1 THR 37 3.976 11.832 -6.070 294 HG21 THR 37 3HG2 THR 37 5.272 14.539 -7.636 295 HG22 THR 37 1HG2 THR 37 5.018 12.816 -7.905 296 HG23 THR 37 2HG2 THR 37 5.725 13.375 -6.389 297 H HIS 38 H HIS 38 1.963 13.139 -4.381 298 HA HIS 38 HA HIS 38 -0.503 14.326 -5.062 299 HD1 HIS 38 HD1 HIS 38 -2.553 11.263 -5.080 300 HD2 HIS 38 HD2 HIS 38 1.586 11.299 -5.477 301 HE1 HIS 38 HE1 HIS 38 -2.037 9.646 -6.932 302 HE2 HIS 38 HE2 HIS 38 0.475 9.634 -7.108 303 HB2 HIS 38 2HB HIS 38 0.174 12.240 -2.980 304 HB3 HIS 38 3HB HIS 38 -1.476 12.717 -3.378 305 H THR 39 H THR 39 1.261 14.352 -1.944 306 HA THR 39 HA THR 39 -0.608 16.409 -0.984 307 HB THR 39 HB THR 39 0.682 16.129 1.216 308 HG1 THR 39 HG1 THR 39 2.484 14.982 0.427 309 HG21 THR 39 3HG2 THR 39 -1.571 15.243 0.871 310 HG22 THR 39 1HG2 THR 39 -0.598 14.136 1.841 311 HG23 THR 39 2HG2 THR 39 -0.896 13.786 0.138 312 H ARG 40 H ARG 40 0.241 18.259 0.173 313 HA ARG 40 HA ARG 40 2.287 19.608 -1.349 314 HE ARG 40 HE ARG 40 1.791 24.320 -1.504 315 HB2 ARG 40 2HB ARG 40 0.084 20.580 -0.452 316 HB3 ARG 40 3HB ARG 40 0.860 20.619 1.122 317 HG2 ARG 40 2HG ARG 40 0.971 22.799 0.105 318 HG3 ARG 40 3HG ARG 40 2.594 22.117 0.206 319 HD2 ARG 40 2HD ARG 40 2.611 21.601 -2.122 320 HD3 ARG 40 3HD ARG 40 0.890 21.953 -2.280 321 HH11 ARG 40 1HH1 ARG 40 3.174 22.149 -3.797 322 HH12 ARG 40 2HH1 ARG 40 3.774 23.422 -4.802 323 HH21 ARG 40 1HH2 ARG 40 2.551 25.941 -2.801 324 HH22 ARG 40 2HH2 ARG 40 3.460 25.552 -4.218 325 H ALA 41 H ALA 41 3.520 17.484 -0.112 326 HA ALA 41 HA ALA 41 5.010 18.658 2.155 327 HB1 ALA 41 3HB ALA 41 4.170 15.770 1.869 328 HB2 ALA 41 1HB ALA 41 3.412 16.957 2.930 329 HB3 ALA 41 2HB ALA 41 5.082 16.467 3.207 330 H LYS 42 H LYS 42 6.961 16.918 2.592 331 HA LYS 42 HA LYS 42 8.275 16.149 0.105 332 HB2 LYS 42 2HB LYS 42 8.843 18.549 0.450 333 HB3 LYS 42 3HB LYS 42 9.527 18.142 2.015 334 HG2 LYS 42 2HG LYS 42 11.265 18.429 0.336 335 HG3 LYS 42 3HG LYS 42 11.231 16.768 0.933 336 HD2 LYS 42 2HD LYS 42 10.106 16.008 -1.054 337 HD3 LYS 42 3HD LYS 42 9.884 17.665 -1.619 338 HE2 LYS 42 2HE LYS 42 12.554 16.299 -1.248 339 HE3 LYS 42 3HE LYS 42 11.716 16.491 -2.787 340 HZ1 LYS 42 3HZ LYS 42 12.661 18.708 -1.050 341 HZ2 LYS 42 1HZ LYS 42 11.858 18.887 -2.530 342 HZ3 LYS 42 2HZ LYS 42 13.397 18.192 -2.479 343 H VAL 43 H VAL 43 9.720 14.480 0.375 344 HA VAL 43 HA VAL 43 9.961 13.357 3.087 345 HB VAL 43 HB VAL 43 10.420 12.025 0.404 346 HG11 VAL 43 1HG1 VAL 43 10.338 10.828 3.180 347 HG12 VAL 43 2HG1 VAL 43 11.776 11.020 2.176 348 HG13 VAL 43 3HG1 VAL 43 10.486 9.929 1.670 349 HG21 VAL 43 3HG2 VAL 43 8.105 11.773 2.333 350 HG22 VAL 43 1HG2 VAL 43 8.316 10.853 0.845 351 HG23 VAL 43 2HG2 VAL 43 8.068 12.596 0.773 352 H VAL 44 H VAL 44 11.892 13.084 4.073 353 HA VAL 44 HA VAL 44 14.325 13.914 2.616 354 HB VAL 44 HB VAL 44 15.315 14.377 4.836 355 HG11 VAL 44 1HG1 VAL 44 14.240 16.186 3.608 356 HG12 VAL 44 2HG1 VAL 44 13.995 16.387 5.343 357 HG13 VAL 44 3HG1 VAL 44 12.684 15.777 4.332 358 HG21 VAL 44 3HG2 VAL 44 14.050 12.799 6.192 359 HG22 VAL 44 1HG2 VAL 44 12.562 13.701 5.892 360 HG23 VAL 44 2HG2 VAL 44 13.865 14.432 6.831 361 H ASN 45 H ASN 45 16.367 12.819 3.216 362 HA ASN 45 HA ASN 45 15.905 9.924 3.406 363 HB2 ASN 45 2HB ASN 45 17.288 11.233 1.557 364 HB3 ASN 45 3HB ASN 45 18.581 11.104 2.738 365 HD21 ASN 45 1HD2 ASN 45 17.647 8.462 3.703 366 HD22 ASN 45 2HD2 ASN 45 18.064 7.349 2.454 367 H LYS 46 H LYS 46 16.419 12.198 5.626 368 HA LYS 46 HA LYS 46 17.684 10.332 7.450 369 HB2 LYS 46 2HB LYS 46 19.430 11.812 8.221 370 HB3 LYS 46 3HB LYS 46 19.610 11.567 6.491 371 HG2 LYS 46 2HG LYS 46 18.285 13.989 7.698 372 HG3 LYS 46 3HG LYS 46 20.003 13.905 7.316 373 HD2 LYS 46 2HD LYS 46 19.421 13.470 4.948 374 HD3 LYS 46 3HD LYS 46 17.712 13.631 5.358 375 HE2 LYS 46 2HE LYS 46 18.587 15.701 4.394 376 HE3 LYS 46 3HE LYS 46 18.091 15.941 6.070 377 HZ1 LYS 46 3HZ LYS 46 20.444 15.707 6.714 378 HZ2 LYS 46 1HZ LYS 46 20.181 17.019 5.678 379 HZ3 LYS 46 2HZ LYS 46 20.871 15.599 5.084 380 H ALA 47 H ALA 47 17.367 10.871 9.693 381 HA ALA 47 HA ALA 47 14.851 12.330 10.038 382 HB1 ALA 47 3HB ALA 47 16.287 10.489 11.950 383 HB2 ALA 47 1HB ALA 47 15.017 10.010 10.824 384 HB3 ALA 47 2HB ALA 47 14.652 11.127 12.139 385 H GLU 48 H GLU 48 17.990 13.241 10.249 386 HA GLU 48 HA GLU 48 18.314 14.483 12.725 387 HB2 GLU 48 2HB GLU 48 19.979 15.889 11.698 388 HB3 GLU 48 3HB GLU 48 20.080 14.297 10.956 389 HG2 GLU 48 2HG GLU 48 18.895 15.086 9.002 390 HG3 GLU 48 3HG GLU 48 18.644 16.660 9.750 391 H LYS 49 H LYS 49 16.440 15.508 9.953 392 HA LYS 49 HA LYS 49 15.323 17.739 11.475 393 HB2 LYS 49 2HB LYS 49 17.300 18.594 10.166 394 HB3 LYS 49 3HB LYS 49 16.459 18.133 8.695 395 HG2 LYS 49 2HG LYS 49 14.631 19.690 9.279 396 HG3 LYS 49 3HG LYS 49 15.544 20.188 10.706 397 HD2 LYS 49 2HD LYS 49 16.430 20.484 7.826 398 HD3 LYS 49 3HD LYS 49 15.845 21.779 8.870 399 HE2 LYS 49 2HE LYS 49 18.326 20.127 9.373 400 HE3 LYS 49 3HE LYS 49 18.310 21.743 8.672 401 HZ1 LYS 49 3HZ LYS 49 18.809 21.803 11.030 402 HZ2 LYS 49 1HZ LYS 49 17.348 21.036 11.389 403 HZ3 LYS 49 2HZ LYS 49 17.345 22.585 10.715 404 H SER 50 H SER 50 13.342 16.743 11.510 405 HA SER 50 HA SER 50 11.634 17.136 9.260 406 HG SER 50 HG SER 50 11.405 13.429 10.414 407 HB2 SER 50 2HB SER 50 10.911 14.808 8.916 408 HB3 SER 50 3HB SER 50 12.629 14.980 8.555 409 H GLU 51 H GLU 51 9.377 16.837 9.810 410 HA GLU 51 HA GLU 51 8.861 17.344 12.576 411 HB2 GLU 51 2HB GLU 51 7.022 16.979 10.212 412 HB3 GLU 51 3HB GLU 51 6.427 17.291 11.834 413 HG2 GLU 51 2HG GLU 51 6.420 19.378 10.827 414 HG3 GLU 51 3HG GLU 51 7.899 19.383 11.781 415 H ALA 52 H ALA 52 8.272 14.546 10.459 416 HA ALA 52 HA ALA 52 7.782 12.899 12.838 417 HB1 ALA 52 3HB ALA 52 5.569 13.635 12.127 418 HB2 ALA 52 1HB ALA 52 5.764 11.899 11.880 419 HB3 ALA 52 2HB ALA 52 5.865 13.004 10.507 420 H ILE 53 H ILE 53 7.564 10.527 12.238 421 HA ILE 53 HA ILE 53 9.238 9.828 9.905 422 HB ILE 53 HB ILE 53 9.420 8.695 12.704 423 HG12 ILE 53 2HG1 ILE 53 11.458 10.050 10.909 424 HG13 ILE 53 3HG1 ILE 53 10.718 10.737 12.352 425 HG21 ILE 53 1HG2 ILE 53 10.692 7.634 10.176 426 HG22 ILE 53 2HG2 ILE 53 9.480 6.826 11.169 427 HG23 ILE 53 3HG2 ILE 53 11.095 7.111 11.812 428 HD11 ILE 53 3HD1 ILE 53 11.802 8.993 13.706 429 HD12 ILE 53 1HD1 ILE 53 12.959 9.999 12.834 430 HD13 ILE 53 2HD1 ILE 53 12.587 8.378 12.250 431 H ILE 54 H ILE 54 8.248 8.476 8.552 432 HA ILE 54 HA ILE 54 6.013 6.812 9.476 433 HB ILE 54 HB ILE 54 6.947 7.408 6.654 434 HG12 ILE 54 2HG1 ILE 54 4.554 8.461 8.201 435 HG13 ILE 54 3HG1 ILE 54 5.998 9.382 7.798 436 HG21 ILE 54 1HG2 ILE 54 4.811 6.385 5.955 437 HG22 ILE 54 2HG2 ILE 54 4.495 5.933 7.632 438 HG23 ILE 54 3HG2 ILE 54 5.869 5.234 6.774 439 HD11 ILE 54 3HD1 ILE 54 4.172 9.942 6.318 440 HD12 ILE 54 1HD1 ILE 54 4.015 8.253 5.835 441 HD13 ILE 54 2HD1 ILE 54 5.473 9.159 5.421 442 H GLN 55 H GLN 55 6.371 4.733 9.937 443 HA GLN 55 HA GLN 55 8.737 3.394 8.774 444 HB2 GLN 55 2HB GLN 55 8.861 3.921 11.230 445 HB3 GLN 55 3HB GLN 55 7.488 2.857 11.485 446 HG2 GLN 55 2HG GLN 55 10.006 1.869 10.182 447 HG3 GLN 55 3HG GLN 55 9.857 1.961 11.932 448 HE21 GLN 55 1HE2 GLN 55 10.177 -0.352 10.142 449 HE22 GLN 55 2HE2 GLN 55 8.847 -1.397 10.497 450 H ILE 56 H ILE 56 8.140 1.890 7.323 451 HA ILE 56 HA ILE 56 5.512 0.623 7.546 452 HB ILE 56 HB ILE 56 6.213 1.560 5.373 453 HG12 ILE 56 2HG1 ILE 56 4.641 -0.474 5.612 454 HG13 ILE 56 3HG1 ILE 56 5.296 -0.127 4.018 455 HG21 ILE 56 1HG2 ILE 56 8.591 1.149 5.469 456 HG22 ILE 56 2HG2 ILE 56 7.911 0.444 4.002 457 HG23 ILE 56 3HG2 ILE 56 8.322 -0.592 5.370 458 HD11 ILE 56 3HD1 ILE 56 6.962 -1.901 4.339 459 HD12 ILE 56 1HD1 ILE 56 5.308 -2.498 4.460 460 HD13 ILE 56 2HD1 ILE 56 6.264 -2.254 5.919 461 H VAL 57 H VAL 57 5.251 -1.289 8.484 462 HA VAL 57 HA VAL 57 7.532 -2.752 9.460 463 HB VAL 57 HB VAL 57 4.602 -3.474 9.706 464 HG11 VAL 57 1HG1 VAL 57 7.010 -4.351 11.308 465 HG12 VAL 57 2HG1 VAL 57 6.089 -5.344 10.177 466 HG13 VAL 57 3HG1 VAL 57 5.333 -4.769 11.663 467 HG21 VAL 57 3HG2 VAL 57 5.005 -1.239 10.608 468 HG22 VAL 57 1HG2 VAL 57 6.341 -1.859 11.582 469 HG23 VAL 57 2HG2 VAL 57 4.691 -2.388 11.907 470 H HIS 58 H HIS 58 4.698 -3.759 7.474 471 HA HIS 58 HA HIS 58 6.400 -5.335 5.766 472 HD1 HIS 58 HD1 HIS 58 4.836 -6.939 9.734 473 HD2 HIS 58 HD2 HIS 58 2.426 -7.165 6.353 474 HE1 HIS 58 HE1 HIS 58 2.512 -7.337 10.588 475 HE2 HIS 58 HE2 HIS 58 1.083 -7.535 8.531 476 HB2 HIS 58 2HB HIS 58 5.365 -7.517 6.206 477 HB3 HIS 58 3HB HIS 58 6.172 -6.892 7.638 478 H ALA 59 H ALA 59 5.506 -5.799 3.805 479 HA ALA 59 HA ALA 59 2.655 -5.142 3.386 480 HB1 ALA 59 3HB ALA 59 4.076 -3.387 2.440 481 HB2 ALA 59 1HB ALA 59 3.240 -4.277 1.169 482 HB3 ALA 59 2HB ALA 59 4.945 -4.592 1.490 483 H ILE 60 H ILE 60 1.774 -7.165 3.259 484 HA ILE 60 HA ILE 60 3.182 -9.209 1.647 485 HB ILE 60 HB ILE 60 1.158 -9.642 3.859 486 HG12 ILE 60 2HG1 ILE 60 3.289 -8.767 4.727 487 HG13 ILE 60 3HG1 ILE 60 3.064 -10.449 5.192 488 HG21 ILE 60 1HG2 ILE 60 2.832 -11.616 2.296 489 HG22 ILE 60 2HG2 ILE 60 1.078 -11.431 2.223 490 HG23 ILE 60 3HG2 ILE 60 1.844 -12.012 3.703 491 HD11 ILE 60 3HD1 ILE 60 4.594 -11.140 3.412 492 HD12 ILE 60 1HD1 ILE 60 5.358 -10.023 4.540 493 HD13 ILE 60 2HD1 ILE 60 4.825 -9.450 2.960 494 H ARG 61 H ARG 61 2.308 -9.546 -0.306 495 HA ARG 61 HA ARG 61 -0.615 -9.348 -0.611 496 HE ARG 61 HE ARG 61 4.325 -9.406 -3.959 497 HB2 ARG 61 2HB ARG 61 -0.042 -9.296 -3.118 498 HB3 ARG 61 3HB ARG 61 0.302 -7.871 -2.159 499 HG2 ARG 61 2HG ARG 61 2.191 -8.048 -3.471 500 HG3 ARG 61 3HG ARG 61 2.699 -8.842 -1.983 501 HD2 ARG 61 2HD ARG 61 2.442 -11.005 -2.959 502 HD3 ARG 61 3HD ARG 61 1.605 -10.341 -4.363 503 HH11 ARG 61 1HH1 ARG 61 2.302 -11.759 -5.467 504 HH12 ARG 61 2HH1 ARG 61 3.404 -12.036 -6.768 505 HH21 ARG 61 1HH2 ARG 61 5.744 -9.781 -5.629 506 HH22 ARG 61 2HH2 ARG 61 5.344 -10.949 -6.842 507 H GLU 62 H GLU 62 -1.830 -11.082 -1.194 508 HA GLU 62 HA GLU 62 -0.491 -13.583 -1.947 509 HB2 GLU 62 2HB GLU 62 -0.856 -13.176 0.662 510 HB3 GLU 62 3HB GLU 62 -2.487 -13.709 0.292 511 HG2 GLU 62 2HG GLU 62 -0.038 -15.309 -0.412 512 HG3 GLU 62 3HG GLU 62 -0.871 -15.461 1.130 513 H LYS 63 H LYS 63 -1.658 -14.724 -3.411 514 HA LYS 63 HA LYS 63 -4.422 -13.863 -3.969 515 HB2 LYS 63 2HB LYS 63 -4.020 -14.966 -6.217 516 HB3 LYS 63 3HB LYS 63 -3.076 -13.521 -5.892 517 HG2 LYS 63 2HG LYS 63 -1.099 -14.778 -5.507 518 HG3 LYS 63 3HG LYS 63 -1.993 -16.296 -5.450 519 HD2 LYS 63 2HD LYS 63 -0.740 -15.963 -7.572 520 HD3 LYS 63 3HD LYS 63 -2.475 -16.172 -7.807 521 HE2 LYS 63 2HE LYS 63 -2.759 -13.789 -8.122 522 HE3 LYS 63 3HE LYS 63 -1.062 -13.501 -7.739 523 HZ1 LYS 63 3HZ LYS 63 -1.821 -15.259 -9.983 524 HZ2 LYS 63 1HZ LYS 63 -0.378 -14.417 -9.739 525 HZ3 LYS 63 2HZ LYS 63 -1.780 -13.583 -10.185 526 H ARG 64 H ARG 64 -5.455 -15.209 -2.417 527 HA ARG 64 HA ARG 64 -5.167 -18.110 -2.827 528 HE ARG 64 HE ARG 64 -7.670 -13.620 0.406 529 HB2 ARG 64 2HB ARG 64 -6.271 -18.441 -0.708 530 HB3 ARG 64 3HB ARG 64 -4.948 -17.308 -0.508 531 HG2 ARG 64 2HG ARG 64 -7.742 -16.308 -0.911 532 HG3 ARG 64 3HG ARG 64 -7.211 -16.874 0.670 533 HD2 ARG 64 2HD ARG 64 -5.286 -15.257 0.486 534 HD3 ARG 64 3HD ARG 64 -6.077 -14.596 -0.946 535 HH11 ARG 64 1HH1 ARG 64 -5.705 -15.747 2.276 536 HH12 ARG 64 2HH1 ARG 64 -6.375 -15.214 3.776 537 HH21 ARG 64 1HH2 ARG 64 -8.524 -12.970 2.334 538 HH22 ARG 64 2HH2 ARG 64 -7.956 -13.667 3.810 539 H ILE 65 H ILE 65 -7.264 -19.398 -2.558 540 HA ILE 65 HA ILE 65 -9.039 -18.506 -4.629 541 HB ILE 65 HB ILE 65 -8.892 -21.040 -3.011 542 HG12 ILE 65 2HG1 ILE 65 -7.267 -20.775 -4.818 543 HG13 ILE 65 3HG1 ILE 65 -8.439 -22.022 -5.242 544 HG21 ILE 65 1HG2 ILE 65 -11.271 -20.612 -3.338 545 HG22 ILE 65 2HG2 ILE 65 -10.743 -21.944 -4.365 546 HG23 ILE 65 3HG2 ILE 65 -11.006 -20.344 -5.062 547 HD11 ILE 65 3HD1 ILE 65 -7.919 -20.568 -7.131 548 HD12 ILE 65 1HD1 ILE 65 -8.494 -19.172 -6.219 549 HD13 ILE 65 2HD1 ILE 65 -9.621 -20.453 -6.673 550 H LEU 66 H LEU 66 -10.870 -17.510 -4.471 551 HA LEU 66 HA LEU 66 -12.168 -17.058 -1.903 552 HG LEU 66 HG LEU 66 -14.685 -15.808 -2.897 553 HB2 LEU 66 2HB LEU 66 -11.790 -15.229 -3.563 554 HB3 LEU 66 3HB LEU 66 -12.880 -16.048 -4.663 555 HD11 LEU 66 1HD1 LEU 66 -13.263 -15.416 -0.965 556 HD12 LEU 66 2HD1 LEU 66 -14.367 -14.062 -1.208 557 HD13 LEU 66 3HD1 LEU 66 -12.674 -13.914 -1.680 558 HD21 LEU 66 3HD2 LEU 66 -13.519 -13.272 -4.048 559 HD22 LEU 66 1HD2 LEU 66 -15.177 -13.494 -3.486 560 HD23 LEU 66 2HD2 LEU 66 -14.593 -14.393 -4.886 561 H SER 67 H SER 67 -13.083 -18.282 -5.136 562 HA SER 67 HA SER 67 -15.170 -19.952 -3.905 563 HG SER 67 HG SER 67 -17.255 -17.858 -4.074 564 HB2 SER 67 2HB SER 67 -15.661 -18.124 -6.279 565 HB3 SER 67 3HB SER 67 -16.824 -19.256 -5.587 566 H LEU 68 H LEU 68 -15.481 -21.894 -4.856 567 HA LEU 68 HA LEU 68 -13.955 -22.531 -7.303 568 HG LEU 68 HG LEU 68 -13.004 -23.159 -4.402 569 HB2 LEU 68 2HB LEU 68 -15.057 -24.354 -5.147 570 HB3 LEU 68 3HB LEU 68 -14.197 -24.899 -6.575 571 HD11 LEU 68 1HD1 LEU 68 -11.756 -25.156 -3.744 572 HD12 LEU 68 2HD1 LEU 68 -12.625 -26.108 -4.952 573 HD13 LEU 68 3HD1 LEU 68 -13.494 -25.412 -3.583 574 HD21 LEU 68 3HD2 LEU 68 -11.979 -22.793 -6.592 575 HD22 LEU 68 1HD2 LEU 68 -11.725 -24.529 -6.773 576 HD23 LEU 68 2HD2 LEU 68 -10.875 -23.640 -5.510 577 H SER 69 H SER 69 -14.988 -23.747 -8.989 578 HA SER 69 HA SER 69 -17.913 -23.498 -9.046 579 HG SER 69 HG SER 69 -16.122 -25.107 -12.088 580 HB2 SER 69 2HB SER 69 -17.755 -23.978 -11.439 581 HB3 SER 69 3HB SER 69 -16.645 -22.677 -11.011 582 H GLU 70 H GLU 70 -19.284 -25.196 -9.065 583 HA GLU 70 HA GLU 70 -20.092 -27.309 -8.849 584 HB2 GLU 70 2HB GLU 70 -18.874 -27.420 -11.114 585 HB3 GLU 70 3HB GLU 70 -17.604 -28.284 -10.259 586 HG2 GLU 70 2HG GLU 70 -19.123 -29.807 -11.402 587 HG3 GLU 70 3HG GLU 70 -19.169 -30.042 -9.656 588 H SER 71 H SER 71 -18.105 -26.189 -6.884 589 HA SER 71 HA SER 71 -17.055 -26.765 -4.954 590 HG SER 71 HG SER 71 -19.517 -27.836 -3.370 591 HB2 SER 71 2HB SER 71 -18.580 -29.361 -5.330 592 HB3 SER 71 3HB SER 71 -17.766 -28.875 -3.843 593 H GLY 72 H GLY 72 -15.700 -27.390 -7.539 594 HA2 GLY 72 2HA GLY 72 -13.644 -29.144 -6.428 595 HA3 GLY 72 3HA GLY 72 -14.450 -29.737 -7.868 596 H ARG 73 H ARG 73 -14.639 -27.212 -9.268 597 HA ARG 73 HA ARG 73 -11.858 -27.123 -10.173 598 HE ARG 73 HE ARG 73 -12.373 -28.932 -10.215 599 HB2 ARG 73 2HB ARG 73 -14.323 -25.938 -11.462 600 HB3 ARG 73 3HB ARG 73 -12.726 -26.038 -12.184 601 HG2 ARG 73 2HG ARG 73 -14.460 -28.394 -11.432 602 HG3 ARG 73 3HG ARG 73 -14.254 -27.745 -13.057 603 HD2 ARG 73 2HD ARG 73 -12.841 -29.654 -12.891 604 HD3 ARG 73 3HD ARG 73 -11.792 -28.238 -12.839 605 HH11 ARG 73 1HH1 ARG 73 -10.816 -30.423 -12.892 606 HH12 ARG 73 2HH1 ARG 73 -9.704 -31.289 -11.898 607 HH21 ARG 73 1HH2 ARG 73 -10.947 -30.046 -8.950 608 HH22 ARG 73 2HH2 ARG 73 -9.778 -31.081 -9.689 609 H VAL 74 H VAL 74 -10.775 -25.137 -10.678 610 HA VAL 74 HA VAL 74 -11.012 -23.247 -8.518 611 HB VAL 74 HB VAL 74 -9.095 -23.344 -10.862 612 HG11 VAL 74 1HG1 VAL 74 -9.291 -21.052 -10.067 613 HG12 VAL 74 2HG1 VAL 74 -7.733 -21.727 -9.589 614 HG13 VAL 74 3HG1 VAL 74 -9.033 -21.584 -8.406 615 HG21 VAL 74 3HG2 VAL 74 -7.482 -24.170 -9.208 616 HG22 VAL 74 1HG2 VAL 74 -8.881 -25.239 -9.333 617 HG23 VAL 74 2HG2 VAL 74 -8.735 -24.134 -7.964 618 H ARG 75 H ARG 75 -11.616 -21.114 -8.577 619 HA ARG 75 HA ARG 75 -12.155 -19.863 -11.170 620 HE ARG 75 HE ARG 75 -15.475 -18.178 -11.115 621 HB2 ARG 75 2HB ARG 75 -14.146 -20.216 -8.963 622 HB3 ARG 75 3HB ARG 75 -14.223 -18.775 -9.966 623 HG2 ARG 75 2HG ARG 75 -14.263 -20.381 -11.959 624 HG3 ARG 75 3HG ARG 75 -14.619 -21.641 -10.772 625 HD2 ARG 75 2HD ARG 75 -16.650 -20.648 -11.820 626 HD3 ARG 75 3HD ARG 75 -16.610 -20.483 -10.063 627 HH11 ARG 75 1HH1 ARG 75 -18.556 -19.731 -11.282 628 HH12 ARG 75 2HH1 ARG 75 -19.414 -18.233 -11.363 629 HH21 ARG 75 1HH2 ARG 75 -16.566 -16.300 -11.258 630 HH22 ARG 75 2HH2 ARG 75 -18.296 -16.302 -11.373 631 H GLU 76 H GLU 76 -13.253 -18.348 -8.223 632 HA GLU 76 HA GLU 76 -11.916 -15.972 -9.131 633 HB2 GLU 76 2HB GLU 76 -13.532 -16.256 -6.596 634 HB3 GLU 76 3HB GLU 76 -13.241 -14.799 -7.532 635 HG2 GLU 76 2HG GLU 76 -14.924 -17.158 -8.367 636 HG3 GLU 76 3HG GLU 76 -15.514 -15.591 -7.824 637 H PHE 77 H PHE 77 -10.091 -15.060 -8.373 638 HA PHE 77 HA PHE 77 -8.782 -16.147 -5.980 639 HD1 PHE 77 HD1 PHE 77 -8.654 -17.478 -7.779 640 HD2 PHE 77 HD2 PHE 77 -5.255 -15.041 -8.610 641 HE1 PHE 77 HE1 PHE 77 -7.620 -19.339 -9.011 642 HE2 PHE 77 HE2 PHE 77 -4.221 -16.904 -9.843 643 HZ PHE 77 HZ PHE 77 -5.404 -19.058 -10.043 644 HB2 PHE 77 2HB PHE 77 -7.852 -14.198 -8.099 645 HB3 PHE 77 3HB PHE 77 -6.903 -14.589 -6.677 646 H GLU 78 H GLU 78 -8.822 -15.099 -4.035 647 HA GLU 78 HA GLU 78 -9.771 -12.335 -3.903 648 HB2 GLU 78 2HB GLU 78 -10.583 -13.996 -2.225 649 HB3 GLU 78 3HB GLU 78 -8.933 -14.171 -1.636 650 HG2 GLU 78 2HG GLU 78 -8.975 -11.673 -1.179 651 HG3 GLU 78 3HG GLU 78 -10.708 -11.739 -1.487 652 H LEU 79 H LEU 79 -8.161 -11.002 -4.622 653 HA LEU 79 HA LEU 79 -5.393 -11.418 -3.941 654 HG LEU 79 HG LEU 79 -7.136 -10.879 -6.634 655 HB2 LEU 79 2HB LEU 79 -6.691 -8.968 -5.150 656 HB3 LEU 79 3HB LEU 79 -4.982 -9.356 -5.153 657 HD11 LEU 79 1HD1 LEU 79 -6.671 -8.696 -7.621 658 HD12 LEU 79 2HD1 LEU 79 -6.065 -9.994 -8.647 659 HD13 LEU 79 3HD1 LEU 79 -4.945 -9.064 -7.650 660 HD21 LEU 79 3HD2 LEU 79 -5.252 -12.099 -7.657 661 HD22 LEU 79 1HD2 LEU 79 -5.372 -12.383 -5.922 662 HD23 LEU 79 2HD2 LEU 79 -4.142 -11.286 -6.552 663 H VAL 80 H VAL 80 -5.088 -11.280 -1.741 664 HA VAL 80 HA VAL 80 -6.035 -8.870 -0.351 665 HB VAL 80 HB VAL 80 -6.563 -10.999 0.735 666 HG11 VAL 80 1HG1 VAL 80 -4.822 -12.425 1.689 667 HG12 VAL 80 2HG1 VAL 80 -3.577 -11.418 0.946 668 HG13 VAL 80 3HG1 VAL 80 -4.688 -12.342 -0.069 669 HG21 VAL 80 3HG2 VAL 80 -4.497 -9.428 2.284 670 HG22 VAL 80 1HG2 VAL 80 -5.731 -10.485 2.971 671 HG23 VAL 80 2HG2 VAL 80 -6.204 -9.009 2.127 672 H TYR 81 H TYR 81 -4.700 -7.286 0.283 673 HA TYR 81 HA TYR 81 -1.787 -7.755 0.237 674 HD1 TYR 81 HD2 TYR 81 -0.021 -6.889 0.113 675 HD2 TYR 81 HD1 TYR 81 -1.796 -3.598 -1.929 676 HE1 TYR 81 HE2 TYR 81 2.169 -5.779 0.003 677 HE2 TYR 81 HE1 TYR 81 0.392 -2.484 -2.046 678 HH TYR 81 HH TYR 81 2.544 -2.514 -0.869 679 HB2 TYR 81 2HB TYR 81 -2.578 -6.512 -1.790 680 HB3 TYR 81 3HB TYR 81 -3.184 -5.244 -0.734 681 H ARG 82 H ARG 82 -1.359 -7.782 2.385 682 HA ARG 82 HA ARG 82 -2.659 -5.931 4.213 683 HE ARG 82 HE ARG 82 -3.751 -11.034 5.461 684 HB2 ARG 82 2HB ARG 82 -0.578 -8.076 4.705 685 HB3 ARG 82 3HB ARG 82 -1.364 -7.126 5.960 686 HG2 ARG 82 2HG ARG 82 -3.548 -8.063 5.243 687 HG3 ARG 82 3HG ARG 82 -2.688 -9.090 4.094 688 HD2 ARG 82 2HD ARG 82 -1.471 -10.149 5.920 689 HD3 ARG 82 3HD ARG 82 -2.253 -9.079 7.083 690 HH11 ARG 82 1HH1 ARG 82 -3.098 -9.466 8.457 691 HH12 ARG 82 2HH1 ARG 82 -4.309 -10.360 9.306 692 HH21 ARG 82 1HH2 ARG 82 -5.303 -12.168 6.562 693 HH22 ARG 82 2HH2 ARG 82 -5.555 -11.862 8.246 694 H VAL 83 H VAL 83 -1.884 -3.882 3.972 695 HA VAL 83 HA VAL 83 1.021 -3.443 3.937 696 HB VAL 83 HB VAL 83 -1.180 -1.384 3.648 697 HG11 VAL 83 1HG1 VAL 83 1.777 -1.273 3.024 698 HG12 VAL 83 2HG1 VAL 83 0.939 -0.408 4.315 699 HG13 VAL 83 3HG1 VAL 83 0.608 -0.013 2.626 700 HG21 VAL 83 3HG2 VAL 83 -0.789 -1.508 1.235 701 HG22 VAL 83 1HG2 VAL 83 -1.346 -3.058 1.865 702 HG23 VAL 83 2HG2 VAL 83 0.360 -2.823 1.477 703 H ALA 84 H ALA 84 1.696 -3.739 6.028 704 HA ALA 84 HA ALA 84 0.311 -2.339 8.201 705 HB1 ALA 84 3HB ALA 84 1.674 -3.678 9.705 706 HB2 ALA 84 1HB ALA 84 2.597 -4.311 8.341 707 HB3 ALA 84 2HB ALA 84 0.889 -4.713 8.512 708 H ALA 85 H ALA 85 0.902 -0.234 8.235 709 HA ALA 85 HA ALA 85 3.781 0.377 8.525 710 HB1 ALA 85 3HB ALA 85 3.025 1.158 6.343 711 HB2 ALA 85 1HB ALA 85 3.394 2.527 7.393 712 HB3 ALA 85 2HB ALA 85 1.715 2.066 7.099 713 H ARG 86 H ARG 86 4.217 2.326 9.825 714 HA ARG 86 HA ARG 86 2.050 3.035 11.677 715 HE ARG 86 HE ARG 86 1.962 -0.370 15.223 716 HB2 ARG 86 2HB ARG 86 4.794 2.025 12.401 717 HB3 ARG 86 3HB ARG 86 3.848 3.002 13.522 718 HG2 ARG 86 2HG ARG 86 2.036 1.360 13.431 719 HG3 ARG 86 3HG ARG 86 2.980 0.378 12.311 720 HD2 ARG 86 2HD ARG 86 4.626 -0.078 13.983 721 HD3 ARG 86 3HD ARG 86 3.917 1.108 15.083 722 HH11 ARG 86 1HH1 ARG 86 4.914 -1.736 14.105 723 HH12 ARG 86 2HH1 ARG 86 4.467 -3.342 14.554 724 HH21 ARG 86 1HH2 ARG 86 1.399 -2.419 15.794 725 HH22 ARG 86 2HH2 ARG 86 2.503 -3.720 15.529 726 H LEU 87 H LEU 87 2.748 4.908 13.147 727 HA LEU 87 HA LEU 87 4.065 6.974 11.505 728 HG LEU 87 HG LEU 87 2.742 8.793 10.556 729 HB2 LEU 87 2HB LEU 87 1.458 6.735 11.381 730 HB3 LEU 87 3HB LEU 87 1.477 7.479 12.965 731 HD11 LEU 87 1HD1 LEU 87 0.363 8.338 10.093 732 HD12 LEU 87 2HD1 LEU 87 0.691 10.064 10.275 733 HD13 LEU 87 3HD1 LEU 87 -0.076 9.171 11.588 734 HD21 LEU 87 3HD2 LEU 87 2.495 10.828 11.871 735 HD22 LEU 87 1HD2 LEU 87 3.425 9.632 12.775 736 HD23 LEU 87 2HD2 LEU 87 1.729 9.919 13.175 737 H LEU 88 H LEU 88 5.723 7.711 12.756 738 HA LEU 88 HA LEU 88 5.269 7.997 15.665 739 HG LEU 88 HG LEU 88 5.695 5.487 15.802 740 HB2 LEU 88 2HB LEU 88 7.823 7.046 14.359 741 HB3 LEU 88 3HB LEU 88 7.574 7.288 16.075 742 HD11 LEU 88 1HD1 LEU 88 6.141 3.836 14.075 743 HD12 LEU 88 2HD1 LEU 88 7.429 4.845 13.419 744 HD13 LEU 88 3HD1 LEU 88 5.755 5.398 13.358 745 HD21 LEU 88 3HD2 LEU 88 8.628 4.776 15.695 746 HD22 LEU 88 1HD2 LEU 88 7.331 3.719 16.255 747 HD23 LEU 88 2HD2 LEU 88 7.709 5.196 17.140 748 H ASP 89 H ASP 89 7.336 9.152 16.620 749 HA ASP 89 HA ASP 89 7.476 11.798 15.419 750 HB2 ASP 89 2HB ASP 89 6.977 11.846 17.723 751 HB3 ASP 89 3HB ASP 89 8.168 10.610 18.103 752 H ALA 90 H ALA 90 9.629 12.963 15.493 753 HA ALA 90 HA ALA 90 11.503 11.718 13.820 754 HB1 ALA 90 3HB ALA 90 12.889 13.682 14.168 755 HB2 ALA 90 1HB ALA 90 11.934 14.132 15.581 756 HB3 ALA 90 2HB ALA 90 11.200 14.149 13.977 757 H HIS 91 H HIS 91 11.300 11.747 17.304 758 HA HIS 91 HA HIS 91 14.017 10.764 17.680 759 HD1 HIS 91 HD1 HIS 91 12.813 12.904 21.590 760 HD2 HIS 91 HD2 HIS 91 13.141 13.493 17.494 761 HE1 HIS 91 HE1 HIS 91 13.071 15.376 21.290 762 HE2 HIS 91 HE2 HIS 91 13.015 15.719 18.801 763 HB2 HIS 91 2HB HIS 91 11.773 10.946 19.707 764 HB3 HIS 91 3HB HIS 91 13.480 10.721 20.053 765 H ASN 92 H ASN 92 11.527 9.298 16.339 766 HA ASN 92 HA ASN 92 10.742 7.185 16.074 767 HB2 ASN 92 2HB ASN 92 13.282 6.429 17.539 768 HB3 ASN 92 3HB ASN 92 12.233 5.294 16.699 769 HD21 ASN 92 1HD2 ASN 92 12.175 5.300 14.459 770 HD22 ASN 92 2HD2 ASN 92 13.387 6.088 13.513 771 H ALA 93 H ALA 93 10.302 8.735 18.694 772 HA ALA 93 HA ALA 93 9.956 6.750 20.729 773 HB1 ALA 93 3HB ALA 93 10.420 9.091 21.277 774 HB2 ALA 93 1HB ALA 93 8.924 8.540 22.028 775 HB3 ALA 93 2HB ALA 93 8.866 9.566 20.593 776 H GLU 94 H GLU 94 7.427 8.886 19.410 777 HA GLU 94 HA GLU 94 5.687 6.850 18.510 778 HB2 GLU 94 2HB GLU 94 3.972 6.950 20.268 779 HB3 GLU 94 3HB GLU 94 5.490 6.322 20.897 780 HG2 GLU 94 2HG GLU 94 5.999 8.480 21.896 781 HG3 GLU 94 3HG GLU 94 4.523 9.161 21.215 782 H LEU 95 H LEU 95 3.291 7.848 18.485 783 HA LEU 95 HA LEU 95 2.935 10.636 18.474 784 HG LEU 95 HG LEU 95 3.647 11.935 15.048 785 HB2 LEU 95 2HB LEU 95 4.554 10.217 16.470 786 HB3 LEU 95 3HB LEU 95 3.140 9.592 15.650 787 HD11 LEU 95 1HD1 LEU 95 1.334 11.127 14.911 788 HD12 LEU 95 2HD1 LEU 95 1.417 12.848 15.284 789 HD13 LEU 95 3HD1 LEU 95 1.046 11.685 16.557 790 HD21 LEU 95 3HD2 LEU 95 4.611 12.647 17.184 791 HD22 LEU 95 1HD2 LEU 95 3.017 12.561 17.933 792 HD23 LEU 95 2HD2 LEU 95 3.330 13.736 16.654 793 H ALA 96 H ALA 96 1.969 8.056 16.204 794 HA ALA 96 HA ALA 96 -0.787 8.218 17.247 795 HB1 ALA 96 3HB ALA 96 -1.687 8.155 14.983 796 HB2 ALA 96 1HB ALA 96 -0.054 8.159 14.317 797 HB3 ALA 96 2HB ALA 96 -0.650 9.566 15.199 798 H SER 97 H SER 97 1.586 6.347 15.394 799 HA SER 97 HA SER 97 1.888 4.128 15.020 800 HG SER 97 HG SER 97 1.298 1.751 17.553 801 HB2 SER 97 2HB SER 97 1.771 3.973 17.501 802 HB3 SER 97 3HB SER 97 0.035 3.691 17.381 803 H LEU 98 H LEU 98 1.001 3.722 13.079 804 HA LEU 98 HA LEU 98 -1.875 3.701 12.718 805 HG LEU 98 HG LEU 98 -1.881 2.811 9.667 806 HB2 LEU 98 2HB LEU 98 -0.209 4.827 11.172 807 HB3 LEU 98 3HB LEU 98 0.278 3.228 10.650 808 HD11 LEU 98 1HD1 LEU 98 -3.288 3.880 11.357 809 HD12 LEU 98 2HD1 LEU 98 -3.694 4.468 9.746 810 HD13 LEU 98 3HD1 LEU 98 -2.731 5.470 10.831 811 HD21 LEU 98 3HD2 LEU 98 -1.968 4.627 7.994 812 HD22 LEU 98 1HD2 LEU 98 -0.318 4.083 8.301 813 HD23 LEU 98 2HD2 LEU 98 -0.893 5.596 9.010 814 H GLN 99 H GLN 99 -2.928 1.914 11.491 815 HA GLN 99 HA GLN 99 -1.999 -0.677 12.555 816 HB2 GLN 99 2HB GLN 99 -4.138 0.125 13.434 817 HB3 GLN 99 3HB GLN 99 -4.778 0.267 11.804 818 HG2 GLN 99 2HG GLN 99 -4.597 -2.166 11.528 819 HG3 GLN 99 3HG GLN 99 -3.964 -2.298 13.167 820 HE21 GLN 99 1HE2 GLN 99 -6.526 -0.076 12.295 821 HE22 GLN 99 2HE2 GLN 99 -7.778 -0.900 13.148 822 H GLU 100 H GLU 100 -2.373 -2.622 11.299 823 HA GLU 100 HA GLU 100 -1.453 -2.513 8.666 824 HB2 GLU 100 2HB GLU 100 -1.224 -4.534 9.990 825 HB3 GLU 100 3HB GLU 100 -2.972 -4.721 10.075 826 HG2 GLU 100 2HG GLU 100 -3.068 -5.116 7.669 827 HG3 GLU 100 3HG GLU 100 -1.326 -4.876 7.547 828 H ILE 101 H ILE 101 -2.409 -1.816 6.886 829 HA ILE 101 HA ILE 101 -5.310 -1.689 6.646 830 HB ILE 101 HB ILE 101 -3.173 -0.838 4.669 831 HG12 ILE 101 2HG1 ILE 101 -4.713 0.843 6.677 832 HG13 ILE 101 3HG1 ILE 101 -3.025 0.372 6.836 833 HG21 ILE 101 1HG2 ILE 101 -4.955 0.497 3.638 834 HG22 ILE 101 2HG2 ILE 101 -6.117 -0.152 4.796 835 HG23 ILE 101 3HG2 ILE 101 -5.351 -1.221 3.621 836 HD11 ILE 101 3HD1 ILE 101 -4.173 2.113 4.665 837 HD12 ILE 101 1HD1 ILE 101 -2.480 1.645 4.824 838 HD13 ILE 101 2HD1 ILE 101 -3.235 2.658 6.055 839 H ARG 102 H ARG 102 -6.329 -3.535 6.029 840 HA ARG 102 HA ARG 102 -5.006 -5.417 4.230 841 HE ARG 102 HE ARG 102 -8.227 -9.307 3.396 842 HB2 ARG 102 2HB ARG 102 -6.189 -6.372 6.122 843 HB3 ARG 102 3HB ARG 102 -7.679 -5.566 5.650 844 HG2 ARG 102 2HG ARG 102 -7.713 -6.891 3.565 845 HG3 ARG 102 3HG ARG 102 -6.260 -7.735 4.102 846 HD2 ARG 102 2HD ARG 102 -7.456 -8.634 6.016 847 HD3 ARG 102 3HD ARG 102 -8.899 -7.720 5.575 848 HH11 ARG 102 1HH1 ARG 102 -9.285 -9.727 6.647 849 HH12 ARG 102 2HH1 ARG 102 -10.074 -11.227 6.310 850 HH21 ARG 102 1HH2 ARG 102 -9.277 -11.235 2.967 851 HH22 ARG 102 2HH2 ARG 102 -10.046 -12.080 4.267 852 H LEU 103 H LEU 103 -5.072 -4.851 2.122 853 HA LEU 103 HA LEU 103 -7.541 -3.834 0.930 854 HG LEU 103 HG LEU 103 -4.617 -2.571 1.173 855 HB2 LEU 103 2HB LEU 103 -4.878 -4.475 -0.354 856 HB3 LEU 103 3HB LEU 103 -6.228 -3.674 -1.141 857 HD11 LEU 103 1HD1 LEU 103 -3.376 -2.593 -0.929 858 HD12 LEU 103 2HD1 LEU 103 -3.796 -0.948 -0.454 859 HD13 LEU 103 3HD1 LEU 103 -4.704 -1.754 -1.732 860 HD21 LEU 103 3HD2 LEU 103 -6.884 -1.330 -0.395 861 HD22 LEU 103 1HD2 LEU 103 -5.882 -0.496 0.795 862 HD23 LEU 103 2HD2 LEU 103 -6.927 -1.821 1.299 863 H THR 104 H THR 104 -8.844 -5.002 -0.465 864 HA THR 104 HA THR 104 -8.040 -7.713 -1.253 865 HB THR 104 HB THR 104 -10.349 -8.572 -0.650 866 HG1 THR 104 HG1 THR 104 -11.592 -7.394 0.735 867 HG21 THR 104 3HG2 THR 104 -8.567 -7.723 1.640 868 HG22 THR 104 1HG2 THR 104 -8.398 -9.192 0.679 869 HG23 THR 104 2HG2 THR 104 -9.809 -8.974 1.714 870 H ARG 105 H ARG 105 -8.425 -7.992 -3.353 871 HA ARG 105 HA ARG 105 -10.870 -6.859 -4.532 872 HE ARG 105 HE ARG 105 -10.002 -2.342 -5.979 873 HB2 ARG 105 2HB ARG 105 -8.065 -6.517 -5.577 874 HB3 ARG 105 3HB ARG 105 -9.451 -6.457 -6.663 875 HG2 ARG 105 2HG ARG 105 -10.405 -4.621 -5.346 876 HG3 ARG 105 3HG ARG 105 -9.006 -4.667 -4.272 877 HD2 ARG 105 2HD ARG 105 -7.545 -3.957 -6.017 878 HD3 ARG 105 3HD ARG 105 -8.797 -4.180 -7.242 879 HH11 ARG 105 1HH1 ARG 105 -6.570 -2.541 -6.120 880 HH12 ARG 105 2HH1 ARG 105 -6.360 -0.831 -5.978 881 HH21 ARG 105 1HH2 ARG 105 -9.704 -0.149 -5.781 882 HH22 ARG 105 2HH2 ARG 105 -8.097 0.490 -5.751 883 H ILE 106 H ILE 106 -11.677 -7.966 -6.379 884 HA ILE 106 HA ILE 106 -11.137 -10.830 -6.177 885 HB ILE 106 HB ILE 106 -13.392 -9.474 -7.668 886 HG12 ILE 106 2HG1 ILE 106 -13.516 -8.785 -5.340 887 HG13 ILE 106 3HG1 ILE 106 -14.775 -9.973 -5.653 888 HG21 ILE 106 1HG2 ILE 106 -14.513 -11.646 -7.453 889 HG22 ILE 106 2HG2 ILE 106 -13.089 -12.305 -6.645 890 HG23 ILE 106 3HG2 ILE 106 -12.990 -11.791 -8.330 891 HD11 ILE 106 3HD1 ILE 106 -13.708 -10.330 -3.499 892 HD12 ILE 106 1HD1 ILE 106 -12.144 -10.521 -4.292 893 HD13 ILE 106 2HD1 ILE 106 -13.431 -11.694 -4.582 894 H LEU 107 H LEU 107 -10.028 -11.913 -7.663 895 HA LEU 107 HA LEU 107 -9.560 -10.717 -10.309 896 HG LEU 107 HG LEU 107 -6.236 -12.423 -10.492 897 HB2 LEU 107 2HB LEU 107 -7.629 -11.435 -8.868 898 HB3 LEU 107 3HB LEU 107 -8.185 -13.085 -9.018 899 HD11 LEU 107 1HD1 LEU 107 -8.673 -13.460 -11.935 900 HD12 LEU 107 2HD1 LEU 107 -7.563 -14.426 -10.963 901 HD13 LEU 107 3HD1 LEU 107 -6.995 -13.652 -12.442 902 HD21 LEU 107 3HD2 LEU 107 -8.365 -10.912 -12.005 903 HD22 LEU 107 1HD2 LEU 107 -6.702 -11.179 -12.527 904 HD23 LEU 107 2HD2 LEU 107 -7.030 -10.195 -11.102 905 HA PRO 108 HA PRO 108 -12.646 -13.782 -11.660 906 HB2 PRO 108 2HB PRO 108 -13.049 -12.710 -14.121 907 HB3 PRO 108 3HB PRO 108 -13.782 -12.041 -12.657 908 HG2 PRO 108 2HG PRO 108 -11.336 -11.130 -14.134 909 HG3 PRO 108 3HG PRO 108 -12.656 -10.159 -13.455 910 HD2 PRO 108 2HD PRO 108 -10.264 -10.479 -12.202 911 HD3 PRO 108 3HD PRO 108 -11.787 -10.247 -11.318 912 H PHE 109 H PHE 109 -11.491 -15.656 -11.915 913 HA PHE 109 HA PHE 109 -9.328 -15.812 -13.853 914 HD1 PHE 109 HD2 PHE 109 -6.921 -17.147 -12.924 915 HD2 PHE 109 HD1 PHE 109 -10.195 -19.871 -13.089 916 HE1 PHE 109 HE2 PHE 109 -5.433 -18.875 -13.846 917 HE2 PHE 109 HE1 PHE 109 -8.711 -21.602 -14.011 918 HZ PHE 109 HZ PHE 109 -6.327 -21.106 -14.388 919 HB2 PHE 109 2HB PHE 109 -8.999 -16.770 -11.636 920 HB3 PHE 109 3HB PHE 109 -10.383 -17.828 -11.864 921 H LEU 110 H LEU 110 -9.834 -16.201 -15.914 922 HA LEU 110 HA LEU 110 -11.484 -18.561 -16.521 923 HG LEU 110 HG LEU 110 -13.203 -16.067 -15.983 924 HB2 LEU 110 2HB LEU 110 -11.664 -15.872 -17.897 925 HB3 LEU 110 3HB LEU 110 -12.320 -17.349 -18.579 926 HD11 LEU 110 1HD1 LEU 110 -15.275 -15.577 -17.179 927 HD12 LEU 110 2HD1 LEU 110 -14.589 -16.245 -18.660 928 HD13 LEU 110 3HD1 LEU 110 -13.895 -14.791 -17.943 929 HD21 LEU 110 3HD2 LEU 110 -14.277 -18.493 -17.431 930 HD22 LEU 110 1HD2 LEU 110 -14.992 -17.745 -16.004 931 HD23 LEU 110 2HD2 LEU 110 -13.404 -18.500 -15.900 932 H ASP 111 H ASP 111 -10.194 -19.993 -17.506 933 HA ASP 111 HA ASP 111 -7.658 -19.458 -18.579 934 HB2 ASP 111 2HB ASP 111 -9.300 -21.772 -19.585 935 HB3 ASP 111 3HB ASP 111 -7.581 -21.714 -19.205 936 H ALA 112 H ALA 112 -10.824 -19.497 -20.060 937 HA ALA 112 HA ALA 112 -10.208 -19.576 -22.760 938 HB1 ALA 112 3HB ALA 112 -12.474 -19.752 -21.849 939 HB2 ALA 112 1HB ALA 112 -12.381 -18.550 -23.135 940 HB3 ALA 112 2HB ALA 112 -12.444 -18.033 -21.450 941 H GLN 113 H GLN 113 -10.324 -16.737 -20.622 942 HA GLN 113 HA GLN 113 -9.703 -14.952 -22.832 943 HB2 GLN 113 2HB GLN 113 -9.939 -14.254 -19.898 944 HB3 GLN 113 3HB GLN 113 -9.982 -13.145 -21.262 945 HG2 GLN 113 2HG GLN 113 -12.054 -14.440 -22.021 946 HG3 GLN 113 3HG GLN 113 -12.063 -15.125 -20.397 947 HE21 GLN 113 1HE2 GLN 113 -12.447 -13.730 -18.622 948 HE22 GLN 113 2HE2 GLN 113 -13.198 -12.195 -18.841 949 H GLU 114 H GLU 114 -7.653 -15.979 -23.303 950 HA GLU 114 HA GLU 114 -5.496 -16.181 -21.548 951 HB2 GLU 114 2HB GLU 114 -4.090 -16.190 -23.650 952 HB3 GLU 114 3HB GLU 114 -5.392 -17.368 -23.592 953 HG2 GLU 114 2HG GLU 114 -6.763 -15.969 -25.028 954 HG3 GLU 114 3HG GLU 114 -5.511 -14.729 -25.042 955 H LEU 115 H LEU 115 -6.266 -13.464 -23.767 956 HA LEU 115 HA LEU 115 -4.025 -11.886 -23.056 957 HG LEU 115 HG LEU 115 -5.332 -10.418 -26.197 958 HB2 LEU 115 2HB LEU 115 -6.670 -11.280 -24.331 959 HB3 LEU 115 3HB LEU 115 -5.641 -9.954 -23.830 960 HD11 LEU 115 1HD1 LEU 115 -3.408 -9.617 -24.907 961 HD12 LEU 115 2HD1 LEU 115 -2.916 -10.646 -26.249 962 HD13 LEU 115 3HD1 LEU 115 -2.917 -11.285 -24.604 963 HD21 LEU 115 3HD2 LEU 115 -4.462 -13.182 -25.348 964 HD22 LEU 115 1HD2 LEU 115 -4.375 -12.525 -26.984 965 HD23 LEU 115 2HD2 LEU 115 -5.942 -12.779 -26.215 966 H ALA 116 H ALA 116 -7.287 -12.073 -21.695 967 HA ALA 116 HA ALA 116 -7.022 -9.902 -19.886 968 HB1 ALA 116 3HB ALA 116 -9.007 -10.802 -18.790 969 HB2 ALA 116 1HB ALA 116 -8.835 -12.309 -19.690 970 HB3 ALA 116 2HB ALA 116 -9.200 -10.809 -20.543 971 H LYS 117 H LYS 117 -6.235 -13.342 -19.624 972 HA LYS 117 HA LYS 117 -5.746 -13.606 -16.914 973 HB2 LYS 117 2HB LYS 117 -4.377 -14.817 -19.313 974 HB3 LYS 117 3HB LYS 117 -3.878 -15.235 -17.681 975 HG2 LYS 117 2HG LYS 117 -6.772 -15.450 -18.170 976 HG3 LYS 117 3HG LYS 117 -5.778 -16.550 -19.119 977 HD2 LYS 117 2HD LYS 117 -6.575 -17.490 -16.944 978 HD3 LYS 117 3HD LYS 117 -4.828 -17.523 -17.153 979 HE2 LYS 117 2HE LYS 117 -6.060 -15.195 -15.736 980 HE3 LYS 117 3HE LYS 117 -5.934 -16.733 -14.886 981 HZ1 LYS 117 3HZ LYS 117 -3.642 -15.333 -16.157 982 HZ2 LYS 117 1HZ LYS 117 -3.576 -16.727 -15.207 983 HZ3 LYS 117 2HZ LYS 117 -4.022 -15.255 -14.513 984 H ALA 118 H ALA 118 -3.596 -12.256 -19.383 985 HA ALA 118 HA ALA 118 -1.510 -11.617 -17.504 986 HB1 ALA 118 3HB ALA 118 -0.438 -10.487 -19.372 987 HB2 ALA 118 1HB ALA 118 -1.917 -10.615 -20.325 988 HB3 ALA 118 2HB ALA 118 -1.029 -12.070 -19.875 989 H ALA 119 H ALA 119 -3.777 -9.618 -19.417 990 HA ALA 119 HA ALA 119 -2.984 -7.130 -18.479 991 HB1 ALA 119 3HB ALA 119 -5.084 -6.279 -19.344 992 HB2 ALA 119 1HB ALA 119 -5.754 -7.911 -19.383 993 HB3 ALA 119 2HB ALA 119 -4.412 -7.483 -20.443 994 H GLU 120 H GLU 120 -5.803 -9.009 -17.297 995 HA GLU 120 HA GLU 120 -6.684 -7.153 -15.421 996 HB2 GLU 120 2HB GLU 120 -6.978 -10.159 -15.454 997 HB3 GLU 120 3HB GLU 120 -7.818 -9.115 -14.315 998 HG2 GLU 120 2HG GLU 120 -8.081 -8.997 -17.320 999 HG3 GLU 120 3HG GLU 120 -9.232 -9.744 -16.213 1000 H GLU 121 H GLU 121 -4.486 -9.930 -14.845 1001 HA GLU 121 HA GLU 121 -4.202 -9.364 -12.071 1002 HB2 GLU 121 2HB GLU 121 -2.436 -10.997 -13.908 1003 HB3 GLU 121 3HB GLU 121 -2.280 -10.946 -12.156 1004 HG2 GLU 121 2HG GLU 121 -4.674 -11.751 -12.038 1005 HG3 GLU 121 3HG GLU 121 -4.572 -12.036 -13.774 1006 H GLU 122 H GLU 122 -2.213 -8.516 -14.899 1007 HA GLU 122 HA GLU 122 -0.092 -7.250 -13.603 1008 HB2 GLU 122 2HB GLU 122 -1.396 -6.797 -16.279 1009 HB3 GLU 122 3HB GLU 122 -0.037 -5.810 -15.756 1010 HG2 GLU 122 2HG GLU 122 0.058 -8.816 -15.889 1011 HG3 GLU 122 3HG GLU 122 0.528 -7.767 -17.225 1012 H MET 123 H MET 123 -3.082 -5.703 -14.856 1013 HA MET 123 HA MET 123 -2.504 -3.145 -13.860 1014 HB2 MET 123 2HB MET 123 -4.859 -2.613 -14.203 1015 HB3 MET 123 3HB MET 123 -4.224 -3.524 -15.562 1016 HG2 MET 123 2HG MET 123 -5.332 -5.517 -14.825 1017 HG3 MET 123 3HG MET 123 -5.838 -4.736 -13.328 1018 HE1 MET 123 3HE MET 123 -7.640 -2.785 -13.206 1019 HE2 MET 123 1HE MET 123 -8.400 -2.072 -14.628 1020 HE3 MET 123 2HE MET 123 -6.676 -1.843 -14.343 1021 H LEU 124 H LEU 124 -4.337 -5.817 -12.354 1022 HA LEU 124 HA LEU 124 -5.183 -4.308 -10.117 1023 HG LEU 124 HG LEU 124 -6.730 -6.303 -11.841 1024 HB2 LEU 124 2HB LEU 124 -4.921 -7.282 -10.523 1025 HB3 LEU 124 3HB LEU 124 -5.575 -6.574 -9.055 1026 HD11 LEU 124 1HD1 LEU 124 -7.772 -7.738 -9.399 1027 HD12 LEU 124 2HD1 LEU 124 -7.101 -8.499 -10.841 1028 HD13 LEU 124 3HD1 LEU 124 -8.604 -7.585 -10.946 1029 HD21 LEU 124 3HD2 LEU 124 -7.062 -4.240 -10.578 1030 HD22 LEU 124 1HD2 LEU 124 -7.736 -5.154 -9.227 1031 HD23 LEU 124 2HD2 LEU 124 -8.585 -5.105 -10.773 1032 H TYR 125 H TYR 125 -2.241 -6.241 -10.636 1033 HA TYR 125 HA TYR 125 -1.256 -6.193 -8.012 1034 HD1 TYR 125 HD2 TYR 125 0.639 -7.543 -7.191 1035 HD2 TYR 125 HD1 TYR 125 -0.219 -8.708 -11.194 1036 HE1 TYR 125 HE2 TYR 125 0.784 -9.904 -6.527 1037 HE2 TYR 125 HE1 TYR 125 -0.077 -11.074 -10.543 1038 HH TYR 125 HH TYR 125 1.059 -12.418 -8.723 1039 HB2 TYR 125 2HB TYR 125 -0.006 -6.439 -10.707 1040 HB3 TYR 125 3HB TYR 125 1.062 -6.024 -9.373 1041 H LYS 126 H LYS 126 -0.562 -3.857 -10.637 1042 HA LYS 126 HA LYS 126 0.790 -2.043 -8.886 1043 HB2 LYS 126 2HB LYS 126 0.825 -0.515 -10.787 1044 HB3 LYS 126 3HB LYS 126 1.293 -2.135 -11.283 1045 HG2 LYS 126 2HG LYS 126 -0.983 -2.496 -12.174 1046 HG3 LYS 126 3HG LYS 126 -1.400 -0.840 -11.731 1047 HD2 LYS 126 2HD LYS 126 0.754 -1.673 -13.684 1048 HD3 LYS 126 3HD LYS 126 -0.820 -1.000 -14.107 1049 HE2 LYS 126 2HE LYS 126 -0.254 1.091 -13.018 1050 HE3 LYS 126 3HE LYS 126 1.280 0.419 -12.463 1051 HZ1 LYS 126 3HZ LYS 126 0.490 0.924 -15.282 1052 HZ2 LYS 126 1HZ LYS 126 1.920 0.156 -14.810 1053 HZ3 LYS 126 2HZ LYS 126 1.652 1.769 -14.389 1054 H ASP 127 H ASP 127 -2.538 -2.463 -9.840 1055 HA ASP 127 HA ASP 127 -3.473 0.113 -9.089 1056 HB2 ASP 127 2HB ASP 127 -4.637 -1.688 -10.540 1057 HB3 ASP 127 3HB ASP 127 -5.173 -2.380 -9.013 1058 H MET 128 H MET 128 -3.281 -2.996 -7.362 1059 HA MET 128 HA MET 128 -4.382 -2.068 -4.920 1060 HB2 MET 128 2HB MET 128 -2.485 -4.362 -5.470 1061 HB3 MET 128 3HB MET 128 -3.227 -4.057 -3.904 1062 HG2 MET 128 2HG MET 128 -5.451 -4.315 -4.934 1063 HG3 MET 128 3HG MET 128 -4.673 -4.696 -6.470 1064 HE1 MET 128 3HE MET 128 -2.152 -6.436 -5.446 1065 HE2 MET 128 1HE MET 128 -3.138 -6.857 -6.847 1066 HE3 MET 128 2HE MET 128 -2.825 -8.059 -5.595 1067 H GLN 129 H GLN 129 -1.061 -2.114 -6.175 1068 HA GLN 129 HA GLN 129 0.247 -1.111 -3.894 1069 HB2 GLN 129 2HB GLN 129 1.408 -1.983 -5.915 1070 HB3 GLN 129 3HB GLN 129 0.900 -0.559 -6.809 1071 HG2 GLN 129 2HG GLN 129 2.567 -0.335 -4.315 1072 HG3 GLN 129 3HG GLN 129 3.296 -0.643 -5.887 1073 HE21 GLN 129 1HE2 GLN 129 3.526 1.661 -4.070 1074 HE22 GLN 129 2HE2 GLN 129 3.075 3.042 -5.004 1075 H LYS 130 H LYS 130 -1.317 0.579 -6.604 1076 HA LYS 130 HA LYS 130 -0.981 3.216 -5.856 1077 HB2 LYS 130 2HB LYS 130 -2.005 2.843 -7.937 1078 HB3 LYS 130 3HB LYS 130 -3.225 1.781 -7.252 1079 HG2 LYS 130 2HG LYS 130 -4.342 3.674 -6.221 1080 HG3 LYS 130 3HG LYS 130 -3.078 4.761 -6.796 1081 HD2 LYS 130 2HD LYS 130 -5.146 4.822 -8.180 1082 HD3 LYS 130 3HD LYS 130 -3.703 4.374 -9.088 1083 HE2 LYS 130 2HE LYS 130 -5.624 2.990 -9.709 1084 HE3 LYS 130 3HE LYS 130 -4.343 2.022 -8.987 1085 HZ1 LYS 130 3HZ LYS 130 -6.746 2.981 -7.524 1086 HZ2 LYS 130 1HZ LYS 130 -5.564 1.920 -6.940 1087 HZ3 LYS 130 2HZ LYS 130 -6.583 1.439 -8.196 1088 H ASP 131 H ASP 131 -3.864 1.240 -5.012 1089 HA ASP 131 HA ASP 131 -4.965 3.067 -3.206 1090 HB2 ASP 131 2HB ASP 131 -5.197 0.052 -3.317 1091 HB3 ASP 131 3HB ASP 131 -6.164 1.068 -2.248 1092 H ALA 132 H ALA 132 -2.591 0.497 -2.642 1093 HA ALA 132 HA ALA 132 -2.470 0.560 0.141 1094 HB1 ALA 132 3HB ALA 132 -0.208 0.103 -1.807 1095 HB2 ALA 132 1HB ALA 132 -1.331 -1.121 -1.214 1096 HB3 ALA 132 2HB ALA 132 -0.204 -0.343 -0.101 1097 H VAL 133 H VAL 133 -0.434 2.387 -2.157 1098 HA VAL 133 HA VAL 133 0.916 3.838 -0.116 1099 HB VAL 133 HB VAL 133 1.854 3.383 -2.385 1100 HG11 VAL 133 1HG1 VAL 133 1.265 4.869 -4.252 1101 HG12 VAL 133 2HG1 VAL 133 -0.041 5.554 -3.286 1102 HG13 VAL 133 3HG1 VAL 133 -0.089 3.854 -3.756 1103 HG21 VAL 133 3HG2 VAL 133 3.006 5.530 -2.620 1104 HG22 VAL 133 1HG2 VAL 133 2.873 5.053 -0.929 1105 HG23 VAL 133 2HG2 VAL 133 1.804 6.296 -1.579 1106 H GLN 134 H GLN 134 -2.001 4.474 -1.986 1107 HA GLN 134 HA GLN 134 -2.252 7.222 -1.222 1108 HB2 GLN 134 2HB GLN 134 -4.351 5.270 -2.202 1109 HB3 GLN 134 3HB GLN 134 -4.607 6.997 -2.003 1110 HG2 GLN 134 2HG GLN 134 -2.698 5.669 -3.922 1111 HG3 GLN 134 3HG GLN 134 -4.212 6.473 -4.327 1112 HE21 GLN 134 1HE2 GLN 134 -0.909 6.890 -3.410 1113 HE22 GLN 134 2HE2 GLN 134 -0.821 8.579 -3.730 1114 H GLN 135 H GLN 135 -3.664 4.200 0.039 1115 HA GLN 135 HA GLN 135 -5.299 5.241 2.040 1116 HB2 GLN 135 2HB GLN 135 -3.733 2.658 1.920 1117 HB3 GLN 135 3HB GLN 135 -4.827 3.033 3.241 1118 HG2 GLN 135 2HG GLN 135 -5.657 2.915 0.347 1119 HG3 GLN 135 3HG GLN 135 -5.793 1.568 1.478 1120 HE21 GLN 135 1HE2 GLN 135 -7.292 1.706 3.167 1121 HE22 GLN 135 2HE2 GLN 135 -8.610 2.817 3.118 1122 H ILE 136 H ILE 136 -1.868 4.305 2.252 1123 HA ILE 136 HA ILE 136 -1.394 4.940 4.922 1124 HB ILE 136 HB ILE 136 0.511 5.242 2.584 1125 HG12 ILE 136 2HG1 ILE 136 0.104 2.932 4.510 1126 HG13 ILE 136 3HG1 ILE 136 -0.411 2.961 2.827 1127 HG21 ILE 136 1HG2 ILE 136 1.111 5.055 5.540 1128 HG22 ILE 136 2HG2 ILE 136 1.305 6.484 4.526 1129 HG23 ILE 136 3HG2 ILE 136 2.309 5.065 4.245 1130 HD11 ILE 136 3HD1 ILE 136 2.430 3.080 3.813 1131 HD12 ILE 136 1HD1 ILE 136 1.926 3.130 2.124 1132 HD13 ILE 136 2HD1 ILE 136 1.627 1.687 3.091 1133 H LEU 137 H LEU 137 -0.566 7.037 2.135 1134 HA LEU 137 HA LEU 137 0.121 9.291 3.621 1135 HG LEU 137 HG LEU 137 -1.019 11.474 1.585 1136 HB2 LEU 137 2HB LEU 137 0.705 9.002 1.270 1137 HB3 LEU 137 3HB LEU 137 -0.984 9.135 0.813 1138 HD11 LEU 137 1HD1 LEU 137 1.048 12.617 2.201 1139 HD12 LEU 137 2HD1 LEU 137 1.931 11.092 2.112 1140 HD13 LEU 137 3HD1 LEU 137 0.682 11.316 3.336 1141 HD21 LEU 137 3HD2 LEU 137 -0.511 11.014 -0.747 1142 HD22 LEU 137 1HD2 LEU 137 1.203 10.846 -0.363 1143 HD23 LEU 137 2HD2 LEU 137 0.408 12.410 -0.186 1144 H ARG 138 H ARG 138 -3.032 8.443 2.210 1145 HA ARG 138 HA ARG 138 -4.371 10.818 2.871 1146 HE ARG 138 HE ARG 138 -7.972 7.335 2.258 1147 HB2 ARG 138 2HB ARG 138 -5.254 9.172 1.275 1148 HB3 ARG 138 3HB ARG 138 -5.523 8.030 2.580 1149 HG2 ARG 138 2HG ARG 138 -6.823 10.695 2.818 1150 HG3 ARG 138 3HG ARG 138 -7.456 9.592 1.599 1151 HD2 ARG 138 2HD ARG 138 -7.105 8.890 4.518 1152 HD3 ARG 138 3HD ARG 138 -8.614 9.455 3.803 1153 HH11 ARG 138 1HH1 ARG 138 -8.217 7.714 5.676 1154 HH12 ARG 138 2HH1 ARG 138 -8.725 6.084 5.925 1155 HH21 ARG 138 1HH2 ARG 138 -8.640 5.261 2.594 1156 HH22 ARG 138 2HH2 ARG 138 -8.989 4.718 4.199 1157 H GLN 139 H GLN 139 -4.022 7.791 4.742 1158 HA GLN 139 HA GLN 139 -5.606 8.754 6.925 1159 HB2 GLN 139 2HB GLN 139 -5.244 6.337 6.427 1160 HB3 GLN 139 3HB GLN 139 -3.570 6.514 6.939 1161 HG2 GLN 139 2HG GLN 139 -4.884 5.545 8.718 1162 HG3 GLN 139 3HG GLN 139 -4.334 7.154 9.185 1163 HE21 GLN 139 1HE2 GLN 139 -5.956 7.442 10.695 1164 HE22 GLN 139 2HE2 GLN 139 -7.605 7.690 10.258 1165 H VAL 140 H VAL 140 -2.157 8.817 6.174 1166 HA VAL 140 HA VAL 140 -1.190 9.696 8.674 1167 HB VAL 140 HB VAL 140 -0.102 10.136 5.881 1168 HG11 VAL 140 1HG1 VAL 140 2.031 10.763 6.928 1169 HG12 VAL 140 2HG1 VAL 140 1.266 10.715 8.517 1170 HG13 VAL 140 3HG1 VAL 140 0.754 11.912 7.326 1171 HG21 VAL 140 3HG2 VAL 140 0.760 8.250 8.081 1172 HG22 VAL 140 1HG2 VAL 140 1.471 8.370 6.474 1173 HG23 VAL 140 2HG2 VAL 140 -0.188 7.799 6.665 1174 H SER 141 H SER 141 -2.797 11.404 6.087 1175 HA SER 141 HA SER 141 -2.351 13.990 7.396 1176 HG SER 141 HG SER 141 -3.407 12.431 4.179 1177 HB2 SER 141 2HB SER 141 -3.536 14.940 5.425 1178 HB3 SER 141 3HB SER 141 -2.127 13.981 4.974 1179 H ALA 142 H ALA 142 -4.887 11.630 6.847 1180 HA ALA 142 HA ALA 142 -7.030 13.342 7.716 1181 HB1 ALA 142 3HB ALA 142 -7.400 11.594 6.047 1182 HB2 ALA 142 1HB ALA 142 -8.456 11.391 7.446 1183 HB3 ALA 142 2HB ALA 142 -7.035 10.361 7.255 1184 H PHE 143 H PHE 143 -4.867 11.138 9.365 1185 HA PHE 143 HA PHE 143 -6.536 10.296 11.451 1186 HD1 PHE 143 HD2 PHE 143 -2.545 11.408 10.196 1187 HD2 PHE 143 HD1 PHE 143 -3.649 10.709 14.249 1188 HE1 PHE 143 HE2 PHE 143 -0.629 12.755 10.950 1189 HE2 PHE 143 HE1 PHE 143 -1.734 12.052 15.006 1190 HZ PHE 143 HZ PHE 143 -0.219 13.077 13.356 1191 HB2 PHE 143 2HB PHE 143 -4.652 9.448 12.504 1192 HB3 PHE 143 3HB PHE 143 -4.088 9.561 10.844 1193 H THR 144 H THR 144 -4.840 13.317 11.006 1194 HA THR 144 HA THR 144 -5.688 14.266 13.664 1195 HB THR 144 HB THR 144 -3.335 14.658 13.131 1196 HG1 THR 144 HG1 THR 144 -3.502 16.501 14.147 1197 HG21 THR 144 3HG2 THR 144 -2.671 16.190 11.333 1198 HG22 THR 144 1HG2 THR 144 -4.352 16.312 10.811 1199 HG23 THR 144 2HG2 THR 144 -3.499 14.773 10.689 1200 H SER 145 H SER 145 -6.841 14.232 10.547 1201 HA SER 145 HA SER 145 -8.097 16.885 10.681 1202 HG SER 145 HG SER 145 -6.152 15.757 8.402 1203 HB2 SER 145 2HB SER 145 -8.115 14.821 8.454 1204 HB3 SER 145 3HB SER 145 -8.895 16.399 8.375 1205 H ALA 146 H ALA 146 -9.407 16.250 12.534 1206 HA ALA 146 HA ALA 146 -11.188 14.101 12.613 1207 HB1 ALA 146 3HB ALA 146 -12.288 15.282 14.437 1208 HB2 ALA 146 1HB ALA 146 -11.471 16.778 13.978 1209 HB3 ALA 146 2HB ALA 146 -10.533 15.408 14.576 1210 H GLY 147 H GLY 147 -11.449 17.051 10.836 1211 HA2 GLY 147 2HA GLY 147 -14.283 17.148 10.547 1212 HA3 GLY 147 3HA GLY 147 -13.109 17.926 9.498 1213 H LEU 148 H LEU 148 -11.776 15.349 8.886 1214 HA LEU 148 HA LEU 148 -13.787 13.749 7.537 1215 HG LEU 148 HG LEU 148 -13.185 14.577 3.957 1216 HB2 LEU 148 2HB LEU 148 -13.212 15.739 6.030 1217 HB3 LEU 148 3HB LEU 148 -11.618 15.033 5.865 1218 HD11 LEU 148 1HD1 LEU 148 -11.248 13.140 4.329 1219 HD12 LEU 148 2HD1 LEU 148 -12.616 12.224 3.701 1220 HD13 LEU 148 3HD1 LEU 148 -12.201 12.123 5.412 1221 HD21 LEU 148 3HD2 LEU 148 -14.618 12.860 5.984 1222 HD22 LEU 148 1HD2 LEU 148 -14.933 12.890 4.248 1223 HD23 LEU 148 2HD2 LEU 148 -15.245 14.324 5.226 1224 H GLU 149 H GLU 149 -13.090 11.976 8.664 1225 HA GLU 149 HA GLU 149 -10.242 11.242 8.566 1226 HB2 GLU 149 2HB GLU 149 -12.458 10.087 10.276 1227 HB3 GLU 149 3HB GLU 149 -10.741 9.741 10.422 1228 HG2 GLU 149 2HG GLU 149 -10.296 11.995 11.146 1229 HG3 GLU 149 3HG GLU 149 -11.973 12.456 10.857 1230 H HIS 150 H HIS 150 -13.460 10.042 7.714 1231 HA HIS 150 HA HIS 150 -14.245 8.117 6.828 1232 HD1 HIS 150 HD1 HIS 150 -11.826 9.799 3.563 1233 HD2 HIS 150 HD2 HIS 150 -15.374 7.860 4.530 1234 HE1 HIS 150 HE1 HIS 150 -13.528 10.650 1.928 1235 HE2 HIS 150 HE2 HIS 150 -15.605 9.312 2.406 1236 HB2 HIS 150 2HB HIS 150 -11.548 8.280 5.515 1237 HB3 HIS 150 3HB HIS 150 -12.534 6.839 5.287 1238 H HIS 151 H HIS 151 -13.625 7.946 9.389 1239 HA HIS 151 HA HIS 151 -11.859 5.801 10.077 1240 HD1 HIS 151 HD1 HIS 151 -10.598 6.342 12.877 1241 HD2 HIS 151 HD2 HIS 151 -14.460 4.899 13.413 1242 HE1 HIS 151 HE1 HIS 151 -10.461 4.747 14.805 1243 HE2 HIS 151 HE2 HIS 151 -12.840 4.067 15.243 1244 HB2 HIS 151 2HB HIS 151 -12.432 7.674 11.608 1245 HB3 HIS 151 3HB HIS 151 -14.082 7.074 11.702 1246 H HIS 152 H HIS 152 -14.903 5.808 8.671 1247 HA HIS 152 HA HIS 152 -16.173 3.629 9.953 1248 HD1 HIS 152 HD1 HIS 152 -19.707 4.525 8.509 1249 HD2 HIS 152 HD2 HIS 152 -16.513 7.013 9.433 1250 HE1 HIS 152 HE1 HIS 152 -20.711 6.500 9.682 1251 HE2 HIS 152 HE2 HIS 152 -18.741 7.871 10.425 1252 HB2 HIS 152 2HB HIS 152 -16.523 4.806 7.188 1253 HB3 HIS 152 3HB HIS 152 -17.547 3.525 7.831 1254 H HIS 153 H HIS 153 -14.799 1.910 10.208 1255 HA HIS 153 HA HIS 153 -13.235 0.837 8.066 1256 HD1 HIS 153 HD1 HIS 153 -13.564 -2.515 11.300 1257 HD2 HIS 153 HD2 HIS 153 -14.959 1.346 11.940 1258 HE1 HIS 153 HE1 HIS 153 -15.081 -2.670 13.294 1259 HE2 HIS 153 HE2 HIS 153 -15.760 -0.296 13.768 1260 HB2 HIS 153 2HB HIS 153 -12.611 -0.929 9.672 1261 HB3 HIS 153 3HB HIS 153 -12.418 0.682 10.345 1262 H HIS 154 H HIS 154 -15.068 0.557 6.555 1263 HA HIS 154 HA HIS 154 -16.140 -2.185 6.827 1264 HD1 HIS 154 HD1 HIS 154 -17.963 -1.461 3.459 1265 HD2 HIS 154 HD2 HIS 154 -19.711 -2.681 7.030 1266 HE1 HIS 154 HE1 HIS 154 -19.657 -3.194 2.823 1267 HE2 HIS 154 HE2 HIS 154 -20.574 -4.036 5.006 1268 HB2 HIS 154 2HB HIS 154 -17.975 -0.581 7.167 1269 HB3 HIS 154 3HB HIS 154 -17.611 0.175 5.619 1270 H HIS 155 H HIS 155 -14.900 0.326 4.709 1271 HA HIS 155 HA HIS 155 -14.069 0.324 2.601 1272 HD1 HIS 155 HD1 HIS 155 -12.516 -0.257 0.521 1273 HD2 HIS 155 HD2 HIS 155 -14.377 -3.973 0.539 1274 HE1 HIS 155 HE1 HIS 155 -12.355 -1.102 -1.836 1275 HE2 HIS 155 HE2 HIS 155 -13.611 -3.279 -1.833 1276 HB2 HIS 155 2HB HIS 155 -12.818 -1.670 2.991 1277 HB3 HIS 155 3HB HIS 155 -14.258 -2.676 2.906 Start of MODEL 14 1 HA MET 1 HA MET 1 -12.165 34.618 -10.353 2 H1 MET 1 1H MET 1 -9.213 34.885 -10.435 3 H2 MET 1 2H MET 1 -10.220 35.345 -9.158 4 H3 MET 1 3H MET 1 -10.332 36.138 -10.647 5 HB2 MET 1 2HB MET 1 -11.222 35.047 -12.618 6 HB3 MET 1 3HB MET 1 -10.199 33.629 -12.437 7 HG2 MET 1 2HG MET 1 -12.166 32.202 -12.303 8 HG3 MET 1 3HG MET 1 -13.214 33.616 -12.434 9 HE1 MET 1 3HE MET 1 -13.579 31.129 -14.354 10 HE2 MET 1 1HE MET 1 -13.788 31.947 -15.902 11 HE3 MET 1 2HE MET 1 -14.538 32.607 -14.448 12 H GLY 2 H GLY 2 -9.058 32.812 -10.488 13 HA2 GLY 2 2HA GLY 2 -9.017 31.373 -8.311 14 HA3 GLY 2 3HA GLY 2 -10.387 30.589 -9.077 15 H PHE 3 H PHE 3 -6.946 31.373 -9.601 16 HA PHE 3 HA PHE 3 -6.626 29.186 -11.470 17 HD1 PHE 3 HD1 PHE 3 -6.051 29.883 -13.428 18 HD2 PHE 3 HD2 PHE 3 -4.399 33.100 -11.171 19 HE1 PHE 3 HE1 PHE 3 -6.423 31.402 -15.326 20 HE2 PHE 3 HE2 PHE 3 -4.774 34.620 -13.068 21 HZ PHE 3 HZ PHE 3 -5.785 33.773 -15.146 22 HB2 PHE 3 2HB PHE 3 -4.614 31.030 -10.167 23 HB3 PHE 3 3HB PHE 3 -4.176 29.758 -11.301 24 H LYS 4 H LYS 4 -5.153 27.393 -11.133 25 HA LYS 4 HA LYS 4 -5.319 26.379 -8.371 26 HB2 LYS 4 2HB LYS 4 -5.151 24.869 -10.995 27 HB3 LYS 4 3HB LYS 4 -5.156 24.114 -9.408 28 HG2 LYS 4 2HG LYS 4 -7.358 23.921 -10.258 29 HG3 LYS 4 3HG LYS 4 -7.407 25.170 -9.015 30 HD2 LYS 4 2HD LYS 4 -7.225 26.886 -10.847 31 HD3 LYS 4 3HD LYS 4 -7.385 25.572 -12.015 32 HE2 LYS 4 2HE LYS 4 -9.581 25.014 -11.095 33 HE3 LYS 4 3HE LYS 4 -9.407 26.287 -9.884 34 HZ1 LYS 4 3HZ LYS 4 -9.268 27.894 -11.761 35 HZ2 LYS 4 1HZ LYS 4 -10.760 27.103 -11.649 36 HZ3 LYS 4 2HZ LYS 4 -9.645 26.636 -12.826 37 H LEU 5 H LEU 5 -3.392 27.080 -7.493 38 HA LEU 5 HA LEU 5 -0.886 26.364 -8.858 39 HG LEU 5 HG LEU 5 -0.356 29.972 -8.058 40 HB2 LEU 5 2HB LEU 5 -1.471 28.295 -6.613 41 HB3 LEU 5 3HB LEU 5 0.158 27.850 -7.076 42 HD11 LEU 5 1HD1 LEU 5 0.003 29.522 -10.419 43 HD12 LEU 5 2HD1 LEU 5 -0.490 27.845 -10.192 44 HD13 LEU 5 3HD1 LEU 5 0.977 28.445 -9.417 45 HD21 LEU 5 3HD2 LEU 5 -2.789 29.872 -8.006 46 HD22 LEU 5 1HD2 LEU 5 -2.784 28.673 -9.300 47 HD23 LEU 5 2HD2 LEU 5 -2.216 30.314 -9.614 48 H ARG 6 H ARG 6 -2.827 25.478 -6.130 49 HA ARG 6 HA ARG 6 -0.694 24.541 -4.461 50 HE ARG 6 HE ARG 6 -4.685 22.310 -2.819 51 HB2 ARG 6 2HB ARG 6 -2.926 25.269 -3.596 52 HB3 ARG 6 3HB ARG 6 -3.632 23.819 -4.301 53 HG2 ARG 6 2HG ARG 6 -2.227 22.425 -2.860 54 HG3 ARG 6 3HG ARG 6 -1.495 23.872 -2.167 55 HD2 ARG 6 2HD ARG 6 -3.136 23.121 -0.625 56 HD3 ARG 6 3HD ARG 6 -3.797 24.552 -1.412 57 HH11 ARG 6 1HH1 ARG 6 -5.045 23.709 0.303 58 HH12 ARG 6 2HH1 ARG 6 -6.630 23.061 0.536 59 HH21 ARG 6 1HH2 ARG 6 -6.731 21.475 -2.520 60 HH22 ARG 6 2HH2 ARG 6 -7.580 21.825 -1.059 61 H GLY 7 H GLY 7 -3.162 22.808 -6.399 62 HA2 GLY 7 2HA GLY 7 -2.990 20.772 -7.503 63 HA3 GLY 7 3HA GLY 7 -1.296 20.705 -7.050 64 H GLN 8 H GLN 8 -1.825 20.946 -4.186 65 HA GLN 8 HA GLN 8 -2.107 18.269 -3.425 66 HB2 GLN 8 2HB GLN 8 -2.577 20.740 -1.738 67 HB3 GLN 8 3HB GLN 8 -2.259 19.121 -1.128 68 HG2 GLN 8 2HG GLN 8 -0.024 19.174 -2.074 69 HG3 GLN 8 3HG GLN 8 -0.337 20.762 -2.774 70 HE21 GLN 8 1HE2 GLN 8 -1.460 19.819 0.405 71 HE22 GLN 8 2HE2 GLN 8 -0.420 20.881 1.287 72 H VAL 9 H VAL 9 -3.867 17.002 -3.288 73 HA VAL 9 HA VAL 9 -6.547 18.080 -3.255 74 HB VAL 9 HB VAL 9 -6.075 15.971 -4.425 75 HG11 VAL 9 1HG1 VAL 9 -5.662 13.894 -3.163 76 HG12 VAL 9 2HG1 VAL 9 -5.503 14.838 -1.683 77 HG13 VAL 9 3HG1 VAL 9 -4.343 15.053 -2.994 78 HG21 VAL 9 3HG2 VAL 9 -7.973 14.667 -3.584 79 HG22 VAL 9 1HG2 VAL 9 -8.345 16.391 -3.636 80 HG23 VAL 9 2HG2 VAL 9 -7.968 15.616 -2.098 81 H SER 10 H SER 10 -4.299 16.738 -0.927 82 HA SER 10 HA SER 10 -6.014 17.695 1.268 83 HG SER 10 HG SER 10 -6.765 14.300 1.686 84 HB2 SER 10 2HB SER 10 -4.525 15.044 1.272 85 HB3 SER 10 3HB SER 10 -5.383 15.733 2.648 86 H GLU 11 H GLU 11 -4.567 17.694 3.407 87 HA GLU 11 HA GLU 11 -1.747 18.144 2.856 88 HB2 GLU 11 2HB GLU 11 -1.668 20.414 3.669 89 HB3 GLU 11 3HB GLU 11 -2.802 20.318 2.331 90 HG2 GLU 11 2HG GLU 11 -4.667 20.270 3.942 91 HG3 GLU 11 3HG GLU 11 -3.510 20.439 5.263 92 H LEU 12 H LEU 12 -0.694 19.097 4.990 93 HA LEU 12 HA LEU 12 -1.782 17.984 7.416 94 HG LEU 12 HG LEU 12 -0.231 16.436 4.640 95 HB2 LEU 12 2HB LEU 12 0.533 16.608 7.563 96 HB3 LEU 12 3HB LEU 12 -0.969 15.917 6.980 97 HD11 LEU 12 1HD1 LEU 12 2.142 16.888 4.231 98 HD12 LEU 12 2HD1 LEU 12 2.398 17.090 5.965 99 HD13 LEU 12 3HD1 LEU 12 1.355 18.212 5.091 100 HD21 LEU 12 3HD2 LEU 12 1.606 14.631 6.216 101 HD22 LEU 12 1HD2 LEU 12 1.320 14.565 4.477 102 HD23 LEU 12 2HD2 LEU 12 0.011 14.198 5.599 103 HA PRO 13 HA PRO 13 0.573 21.208 9.192 104 HB2 PRO 13 2HB PRO 13 0.914 20.399 11.739 105 HB3 PRO 13 3HB PRO 13 -0.686 20.748 11.072 106 HG2 PRO 13 2HG PRO 13 0.674 18.098 11.437 107 HG3 PRO 13 3HG PRO 13 -0.992 18.560 11.836 108 HD2 PRO 13 2HD PRO 13 -0.335 17.218 9.561 109 HD3 PRO 13 3HD PRO 13 -1.709 18.337 9.659 110 H PHE 14 H PHE 14 2.349 19.157 7.844 111 HA PHE 14 HA PHE 14 4.821 20.155 8.940 112 HD1 PHE 14 HD2 PHE 14 5.225 16.140 7.445 113 HD2 PHE 14 HD1 PHE 14 2.619 17.140 10.667 114 HE1 PHE 14 HE2 PHE 14 3.937 14.082 7.046 115 HE2 PHE 14 HE1 PHE 14 1.335 15.080 10.271 116 HZ PHE 14 HZ PHE 14 1.990 13.552 8.458 117 HB2 PHE 14 2HB PHE 14 5.841 17.835 9.125 118 HB3 PHE 14 3HB PHE 14 4.712 18.287 10.391 119 H GLU 15 H GLU 15 6.442 20.295 7.427 120 HA GLU 15 HA GLU 15 5.670 19.465 4.707 121 HB2 GLU 15 2HB GLU 15 7.064 21.269 3.877 122 HB3 GLU 15 3HB GLU 15 5.914 21.885 5.055 123 HG2 GLU 15 2HG GLU 15 7.615 22.055 6.735 124 HG3 GLU 15 3HG GLU 15 8.780 21.222 5.709 125 H ARG 16 H ARG 16 7.723 18.342 7.046 126 HA ARG 16 HA ARG 16 9.577 17.284 5.002 127 HE ARG 16 HE ARG 16 10.301 21.350 4.431 128 HB2 ARG 16 2HB ARG 16 10.398 18.118 7.801 129 HB3 ARG 16 3HB ARG 16 11.452 17.455 6.562 130 HG2 ARG 16 2HG ARG 16 10.006 20.094 6.383 131 HG3 ARG 16 3HG ARG 16 11.701 19.888 6.815 132 HD2 ARG 16 2HD ARG 16 12.291 19.200 4.653 133 HD3 ARG 16 3HD ARG 16 10.625 18.819 4.219 134 HH11 ARG 16 1HH1 ARG 16 13.251 19.913 3.358 135 HH12 ARG 16 2HH1 ARG 16 13.633 21.243 2.324 136 HH21 ARG 16 1HH2 ARG 16 10.797 23.012 3.124 137 HH22 ARG 16 2HH2 ARG 16 12.262 22.994 2.204 138 H VAL 17 H VAL 17 9.654 15.104 4.980 139 HA VAL 17 HA VAL 17 9.070 13.637 7.474 140 HB VAL 17 HB VAL 17 7.813 11.926 6.168 141 HG11 VAL 17 1HG1 VAL 17 6.634 13.628 7.476 142 HG12 VAL 17 2HG1 VAL 17 5.726 13.195 6.027 143 HG13 VAL 17 3HG1 VAL 17 6.631 14.708 6.079 144 HG21 VAL 17 3HG2 VAL 17 8.708 12.439 3.940 145 HG22 VAL 17 1HG2 VAL 17 7.872 13.994 3.963 146 HG23 VAL 17 2HG2 VAL 17 6.946 12.494 3.951 147 H TYR 18 H TYR 18 9.787 11.383 7.452 148 HA TYR 18 HA TYR 18 11.912 10.741 5.530 149 HD1 TYR 18 HD1 TYR 18 14.797 10.823 5.834 150 HD2 TYR 18 HD2 TYR 18 13.083 8.624 9.060 151 HE1 TYR 18 HE1 TYR 18 16.632 9.196 5.701 152 HE2 TYR 18 HE2 TYR 18 14.919 6.997 8.928 153 HH TYR 18 HH TYR 18 16.544 6.203 7.136 154 HB2 TYR 18 2HB TYR 18 13.087 11.833 7.360 155 HB3 TYR 18 3HB TYR 18 12.268 10.818 8.540 156 H ILE 19 H ILE 19 11.490 8.736 4.778 157 HA ILE 19 HA ILE 19 9.920 6.873 6.400 158 HB ILE 19 HB ILE 19 9.330 7.269 4.006 159 HG12 ILE 19 2HG1 ILE 19 10.152 4.419 4.640 160 HG13 ILE 19 3HG1 ILE 19 8.670 5.188 5.194 161 HG21 ILE 19 1HG2 ILE 19 11.535 7.530 3.051 162 HG22 ILE 19 2HG2 ILE 19 10.720 6.178 2.263 163 HG23 ILE 19 3HG2 ILE 19 11.958 5.870 3.480 164 HD11 ILE 19 3HD1 ILE 19 9.419 4.620 2.335 165 HD12 ILE 19 1HD1 ILE 19 7.940 5.422 2.868 166 HD13 ILE 19 2HD1 ILE 19 8.242 3.742 3.309 167 H THR 20 H THR 20 10.589 4.758 6.900 168 HA THR 20 HA THR 20 13.300 3.941 6.145 169 HB THR 20 HB THR 20 13.733 4.850 8.305 170 HG1 THR 20 HG1 THR 20 14.167 2.790 9.504 171 HG21 THR 20 3HG2 THR 20 12.532 4.181 10.334 172 HG22 THR 20 1HG2 THR 20 11.438 3.191 9.368 173 HG23 THR 20 2HG2 THR 20 11.443 4.944 9.175 174 H ALA 21 H ALA 21 12.562 2.374 4.796 175 HA ALA 21 HA ALA 21 10.739 0.315 5.822 176 HB1 ALA 21 3HB ALA 21 11.864 0.662 3.038 177 HB2 ALA 21 1HB ALA 21 10.297 1.259 3.592 178 HB3 ALA 21 2HB ALA 21 10.607 -0.477 3.527 179 HA PRO 22 HA PRO 22 14.247 -2.283 6.841 180 HB2 PRO 22 2HB PRO 22 12.898 -4.631 7.194 181 HB3 PRO 22 3HB PRO 22 12.894 -3.322 8.382 182 HG2 PRO 22 2HG PRO 22 10.843 -3.989 6.294 183 HG3 PRO 22 3HG PRO 22 10.601 -3.562 8.000 184 HD2 PRO 22 2HD PRO 22 10.257 -1.762 6.021 185 HD3 PRO 22 3HD PRO 22 10.917 -1.292 7.604 186 H ALA 23 H ALA 23 12.268 -2.667 4.075 187 HA ALA 23 HA ALA 23 14.338 -4.264 2.751 188 HB1 ALA 23 3HB ALA 23 12.703 -5.906 3.512 189 HB2 ALA 23 1HB ALA 23 12.662 -5.768 1.754 190 HB3 ALA 23 2HB ALA 23 11.404 -5.005 2.729 191 H GLY 24 H GLY 24 13.982 -4.323 0.332 192 HA2 GLY 24 2HA GLY 24 13.440 -1.681 -0.651 193 HA3 GLY 24 3HA GLY 24 13.883 -3.080 -1.619 194 H LEU 25 H LEU 25 11.153 -1.743 0.212 195 HA LEU 25 HA LEU 25 9.249 -3.264 -1.400 196 HG LEU 25 HG LEU 25 10.142 -3.511 1.546 197 HB2 LEU 25 2HB LEU 25 8.808 -1.454 0.983 198 HB3 LEU 25 3HB LEU 25 7.604 -2.499 0.247 199 HD11 LEU 25 1HD1 LEU 25 8.769 -2.437 3.223 200 HD12 LEU 25 2HD1 LEU 25 8.715 -4.188 3.423 201 HD13 LEU 25 3HD1 LEU 25 7.354 -3.343 2.685 202 HD21 LEU 25 3HD2 LEU 25 7.638 -4.944 0.646 203 HD22 LEU 25 1HD2 LEU 25 9.003 -5.681 1.487 204 HD23 LEU 25 2HD2 LEU 25 9.220 -5.019 -0.132 205 H THR 26 H THR 26 8.306 -2.406 -3.148 206 HA THR 26 HA THR 26 8.734 0.197 -4.092 207 HB THR 26 HB THR 26 6.913 -0.226 -5.714 208 HG1 THR 26 HG1 THR 26 5.757 -2.194 -5.556 209 HG21 THR 26 3HG2 THR 26 8.700 -2.627 -5.270 210 HG22 THR 26 1HG2 THR 26 9.147 -1.158 -6.141 211 HG23 THR 26 2HG2 THR 26 7.881 -2.210 -6.775 212 H ILE 27 H ILE 27 6.173 -1.080 -2.054 213 HA ILE 27 HA ILE 27 4.272 0.916 -2.140 214 HB ILE 27 HB ILE 27 4.025 -1.148 -0.813 215 HG12 ILE 27 2HG1 ILE 27 3.657 1.378 0.832 216 HG13 ILE 27 3HG1 ILE 27 2.534 0.774 -0.381 217 HG21 ILE 27 1HG2 ILE 27 5.907 0.164 1.160 218 HG22 ILE 27 2HG2 ILE 27 6.260 -1.250 0.170 219 HG23 ILE 27 3HG2 ILE 27 5.021 -1.339 1.420 220 HD11 ILE 27 3HD1 ILE 27 2.151 -1.225 0.977 221 HD12 ILE 27 1HD1 ILE 27 1.764 0.255 1.855 222 HD13 ILE 27 2HD1 ILE 27 3.266 -0.603 2.194 223 H GLY 28 H GLY 28 7.363 0.939 -0.416 224 HA2 GLY 28 2HA GLY 28 6.857 3.398 0.988 225 HA3 GLY 28 3HA GLY 28 8.396 2.561 0.868 226 H SER 29 H SER 29 8.877 2.539 -1.827 227 HA SER 29 HA SER 29 9.915 5.112 -2.269 228 HG SER 29 HG SER 29 11.569 3.569 -2.483 229 HB2 SER 29 2HB SER 29 9.480 2.851 -4.244 230 HB3 SER 29 3HB SER 29 10.458 4.286 -4.558 231 H ASP 30 H ASP 30 6.978 3.565 -3.559 232 HA ASP 30 HA ASP 30 6.185 5.844 -5.093 233 HB2 ASP 30 2HB ASP 30 4.835 3.306 -4.250 234 HB3 ASP 30 3HB ASP 30 3.867 4.619 -4.912 235 H LEU 31 H LEU 31 5.618 4.837 -1.760 236 HA LEU 31 HA LEU 31 3.573 6.601 -1.063 237 HG LEU 31 HG LEU 31 4.795 7.614 1.691 238 HB2 LEU 31 2HB LEU 31 4.411 4.874 0.455 239 HB3 LEU 31 3HB LEU 31 5.948 5.708 0.587 240 HD11 LEU 31 1HD1 LEU 31 2.571 7.311 0.725 241 HD12 LEU 31 2HD1 LEU 31 2.508 7.362 2.486 242 HD13 LEU 31 3HD1 LEU 31 2.367 5.819 1.643 243 HD21 LEU 31 3HD2 LEU 31 4.369 6.475 3.834 244 HD22 LEU 31 1HD2 LEU 31 5.854 5.918 3.062 245 HD23 LEU 31 2HD2 LEU 31 4.400 4.920 3.000 246 H GLU 32 H GLU 32 7.087 7.129 -0.905 247 HA GLU 32 HA GLU 32 7.120 9.770 -0.062 248 HB2 GLU 32 2HB GLU 32 9.058 8.563 -2.046 249 HB3 GLU 32 3HB GLU 32 9.371 9.874 -0.912 250 HG2 GLU 32 2HG GLU 32 8.863 6.983 -0.242 251 HG3 GLU 32 3HG GLU 32 10.386 7.849 -0.104 252 H ARG 33 H ARG 33 6.741 8.504 -3.339 253 HA ARG 33 HA ARG 33 6.736 10.953 -4.740 254 HE ARG 33 HE ARG 33 8.911 7.084 -7.328 255 HB2 ARG 33 2HB ARG 33 5.147 8.444 -5.355 256 HB3 ARG 33 3HB ARG 33 5.474 9.753 -6.479 257 HG2 ARG 33 2HG ARG 33 7.843 9.234 -6.450 258 HG3 ARG 33 3HG ARG 33 7.572 7.973 -5.243 259 HD2 ARG 33 2HD ARG 33 6.101 6.797 -6.848 260 HD3 ARG 33 3HD ARG 33 6.463 8.033 -8.053 261 HH11 ARG 33 1HH1 ARG 33 6.013 5.560 -8.399 262 HH12 ARG 33 2HH1 ARG 33 6.845 4.307 -9.245 263 HH21 ARG 33 1HH2 ARG 33 9.978 5.460 -8.415 264 HH22 ARG 33 2HH2 ARG 33 9.071 4.264 -9.274 265 H VAL 34 H VAL 34 4.027 9.011 -3.483 266 HA VAL 34 HA VAL 34 1.957 10.747 -4.201 267 HB VAL 34 HB VAL 34 2.068 8.745 -1.933 268 HG11 VAL 34 1HG1 VAL 34 0.256 10.322 -1.544 269 HG12 VAL 34 2HG1 VAL 34 -0.399 8.760 -2.040 270 HG13 VAL 34 3HG1 VAL 34 -0.325 10.093 -3.193 271 HG21 VAL 34 3HG2 VAL 34 1.006 8.507 -4.757 272 HG22 VAL 34 1HG2 VAL 34 0.897 7.262 -3.511 273 HG23 VAL 34 2HG2 VAL 34 2.473 7.753 -4.131 274 H ILE 35 H ILE 35 3.833 10.596 -1.194 275 HA ILE 35 HA ILE 35 2.401 12.455 0.328 276 HB ILE 35 HB ILE 35 5.388 11.930 0.331 277 HG12 ILE 35 2HG1 ILE 35 4.011 9.921 0.780 278 HG13 ILE 35 3HG1 ILE 35 4.933 10.411 2.194 279 HG21 ILE 35 1HG2 ILE 35 3.670 13.262 2.430 280 HG22 ILE 35 2HG2 ILE 35 4.878 14.051 1.416 281 HG23 ILE 35 3HG2 ILE 35 5.378 12.850 2.606 282 HD11 ILE 35 3HD1 ILE 35 2.683 9.715 2.777 283 HD12 ILE 35 1HD1 ILE 35 2.011 10.960 1.724 284 HD13 ILE 35 2HD1 ILE 35 2.935 11.418 3.155 285 H SER 36 H SER 36 5.369 13.099 -1.585 286 HA SER 36 HA SER 36 5.275 15.901 -1.123 287 HG SER 36 HG SER 36 7.059 13.231 -3.042 288 HB2 SER 36 2HB SER 36 7.105 16.025 -2.794 289 HB3 SER 36 3HB SER 36 7.385 14.781 -1.576 290 H THR 37 H THR 37 3.781 13.934 -3.579 291 HA THR 37 HA THR 37 3.325 16.247 -5.323 292 HB THR 37 HB THR 37 2.365 14.658 -6.930 293 HG1 THR 37 HG1 THR 37 3.105 12.337 -5.829 294 HG21 THR 37 3HG2 THR 37 4.771 15.036 -7.003 295 HG22 THR 37 1HG2 THR 37 4.410 13.355 -7.394 296 HG23 THR 37 2HG2 THR 37 5.028 13.775 -5.796 297 H HIS 38 H HIS 38 1.570 14.370 -2.964 298 HA HIS 38 HA HIS 38 -0.959 15.600 -3.876 299 HD1 HIS 38 HD1 HIS 38 -3.212 13.203 -4.690 300 HD2 HIS 38 HD2 HIS 38 0.778 12.059 -4.543 301 HE1 HIS 38 HE1 HIS 38 -2.862 11.726 -6.685 302 HE2 HIS 38 HE2 HIS 38 -0.404 11.207 -6.676 303 HB2 HIS 38 2HB HIS 38 -0.525 13.135 -2.182 304 HB3 HIS 38 3HB HIS 38 -2.102 13.844 -2.515 305 H THR 39 H THR 39 1.305 15.648 -1.270 306 HA THR 39 HA THR 39 -0.536 17.406 0.245 307 HB THR 39 HB THR 39 0.292 16.642 2.364 308 HG1 THR 39 HG1 THR 39 1.989 14.840 0.957 309 HG21 THR 39 3HG2 THR 39 -0.351 14.244 0.644 310 HG22 THR 39 1HG2 THR 39 -1.523 15.304 1.430 311 HG23 THR 39 2HG2 THR 39 -0.444 14.307 2.405 312 H ARG 40 H ARG 40 1.256 18.208 2.228 313 HA ARG 40 HA ARG 40 2.841 20.109 0.691 314 HE ARG 40 HE ARG 40 4.919 23.711 1.748 315 HB2 ARG 40 2HB ARG 40 1.306 20.845 2.510 316 HB3 ARG 40 3HB ARG 40 2.301 19.977 3.668 317 HG2 ARG 40 2HG ARG 40 2.883 22.275 3.800 318 HG3 ARG 40 3HG ARG 40 4.220 21.440 3.008 319 HD2 ARG 40 2HD ARG 40 3.342 22.171 0.815 320 HD3 ARG 40 3HD ARG 40 2.053 23.047 1.644 321 HH11 ARG 40 1HH1 ARG 40 1.621 24.595 2.199 322 HH12 ARG 40 2HH1 ARG 40 1.990 26.263 2.453 323 HH21 ARG 40 1HH2 ARG 40 5.378 25.854 2.055 324 HH22 ARG 40 2HH2 ARG 40 4.089 26.969 2.359 325 H ALA 41 H ALA 41 3.402 17.186 2.360 326 HA ALA 41 HA ALA 41 5.916 17.920 3.561 327 HB1 ALA 41 3HB ALA 41 6.015 15.605 4.308 328 HB2 ALA 41 1HB ALA 41 4.624 15.212 3.296 329 HB3 ALA 41 2HB ALA 41 4.442 16.326 4.653 330 H LYS 42 H LYS 42 7.730 18.120 2.449 331 HA LYS 42 HA LYS 42 8.324 16.405 0.156 332 HB2 LYS 42 2HB LYS 42 8.776 18.844 0.026 333 HB3 LYS 42 3HB LYS 42 9.899 18.700 1.366 334 HG2 LYS 42 2HG LYS 42 10.355 17.062 -1.092 335 HG3 LYS 42 3HG LYS 42 10.747 18.781 -1.116 336 HD2 LYS 42 2HD LYS 42 12.242 18.481 0.798 337 HD3 LYS 42 3HD LYS 42 11.823 16.767 0.872 338 HE2 LYS 42 2HE LYS 42 13.151 18.126 -1.480 339 HE3 LYS 42 3HE LYS 42 13.995 17.195 -0.242 340 HZ1 LYS 42 3HZ LYS 42 12.706 15.248 -0.888 341 HZ2 LYS 42 1HZ LYS 42 13.583 15.860 -2.200 342 HZ3 LYS 42 2HZ LYS 42 11.919 16.142 -2.091 343 H VAL 43 H VAL 43 9.807 14.748 0.225 344 HA VAL 43 HA VAL 43 10.489 13.778 2.863 345 HB VAL 43 HB VAL 43 11.097 12.506 0.187 346 HG11 VAL 43 1HG1 VAL 43 11.288 10.431 1.499 347 HG12 VAL 43 2HG1 VAL 43 11.103 11.373 2.981 348 HG13 VAL 43 3HG1 VAL 43 12.506 11.629 1.942 349 HG21 VAL 43 3HG2 VAL 43 8.753 12.083 2.044 350 HG22 VAL 43 1HG2 VAL 43 9.102 11.132 0.598 351 HG23 VAL 43 2HG2 VAL 43 8.701 12.844 0.454 352 H VAL 44 H VAL 44 12.422 13.710 3.825 353 HA VAL 44 HA VAL 44 14.789 14.726 2.386 354 HB VAL 44 HB VAL 44 15.780 15.120 4.616 355 HG11 VAL 44 1HG1 VAL 44 14.336 16.997 5.288 356 HG12 VAL 44 2HG1 VAL 44 13.046 16.370 4.263 357 HG13 VAL 44 3HG1 VAL 44 14.552 16.935 3.539 358 HG21 VAL 44 3HG2 VAL 44 14.628 13.349 5.854 359 HG22 VAL 44 1HG2 VAL 44 13.097 14.211 5.687 360 HG23 VAL 44 2HG2 VAL 44 14.407 14.911 6.641 361 H ASN 45 H ASN 45 16.875 13.672 2.820 362 HA ASN 45 HA ASN 45 16.555 10.770 2.854 363 HB2 ASN 45 2HB ASN 45 17.872 11.976 1.080 364 HB3 ASN 45 3HB ASN 45 19.064 12.373 2.311 365 HD21 ASN 45 1HD2 ASN 45 17.302 9.335 2.061 366 HD22 ASN 45 2HD2 ASN 45 18.682 8.365 1.701 367 H LYS 46 H LYS 46 16.977 12.963 5.236 368 HA LYS 46 HA LYS 46 18.351 11.048 6.957 369 HB2 LYS 46 2HB LYS 46 19.866 12.738 7.898 370 HB3 LYS 46 3HB LYS 46 20.169 12.469 6.191 371 HG2 LYS 46 2HG LYS 46 18.588 14.795 7.280 372 HG3 LYS 46 3HG LYS 46 20.309 14.847 6.908 373 HD2 LYS 46 2HD LYS 46 19.708 14.170 4.548 374 HD3 LYS 46 3HD LYS 46 18.019 14.418 4.988 375 HE2 LYS 46 2HE LYS 46 18.855 16.397 3.890 376 HE3 LYS 46 3HE LYS 46 18.555 16.758 5.590 377 HZ1 LYS 46 3HZ LYS 46 21.192 16.227 4.324 378 HZ2 LYS 46 1HZ LYS 46 20.956 16.430 5.987 379 HZ3 LYS 46 2HZ LYS 46 20.638 17.707 4.927 380 H ALA 47 H ALA 47 17.587 10.963 8.989 381 HA ALA 47 HA ALA 47 15.048 12.086 9.509 382 HB1 ALA 47 3HB ALA 47 16.906 10.667 11.415 383 HB2 ALA 47 1HB ALA 47 15.749 9.891 10.334 384 HB3 ALA 47 2HB ALA 47 15.176 10.922 11.644 385 H GLU 48 H GLU 48 18.257 13.142 10.432 386 HA GLU 48 HA GLU 48 17.760 14.611 12.718 387 HB2 GLU 48 2HB GLU 48 19.739 15.927 12.188 388 HB3 GLU 48 3HB GLU 48 20.010 14.230 11.816 389 HG2 GLU 48 2HG GLU 48 19.804 14.613 9.481 390 HG3 GLU 48 3HG GLU 48 19.201 16.250 9.738 391 H LYS 49 H LYS 49 16.858 15.424 9.446 392 HA LYS 49 HA LYS 49 15.574 17.854 10.511 393 HB2 LYS 49 2HB LYS 49 17.618 17.953 8.695 394 HB3 LYS 49 3HB LYS 49 16.229 17.912 7.623 395 HG2 LYS 49 2HG LYS 49 16.414 19.889 9.886 396 HG3 LYS 49 3HG LYS 49 17.172 20.196 8.328 397 HD2 LYS 49 2HD LYS 49 15.099 21.291 8.205 398 HD3 LYS 49 3HD LYS 49 14.858 19.799 7.304 399 HE2 LYS 49 2HE LYS 49 12.941 20.315 8.743 400 HE3 LYS 49 3HE LYS 49 13.711 18.808 9.217 401 HZ1 LYS 49 3HZ LYS 49 13.276 19.958 11.192 402 HZ2 LYS 49 1HZ LYS 49 13.838 21.431 10.578 403 HZ3 LYS 49 2HZ LYS 49 14.930 20.191 10.929 404 H SER 50 H SER 50 13.967 16.044 10.841 405 HA SER 50 HA SER 50 12.073 16.152 8.588 406 HG SER 50 HG SER 50 13.548 13.569 10.781 407 HB2 SER 50 2HB SER 50 11.346 13.848 9.025 408 HB3 SER 50 3HB SER 50 13.065 13.873 8.637 409 H GLU 51 H GLU 51 9.796 15.807 9.325 410 HA GLU 51 HA GLU 51 9.411 16.835 12.061 411 HB2 GLU 51 2HB GLU 51 7.344 16.761 9.853 412 HB3 GLU 51 3HB GLU 51 7.291 17.689 11.346 413 HG2 GLU 51 2HG GLU 51 9.122 18.147 8.993 414 HG3 GLU 51 3HG GLU 51 7.759 19.148 9.482 415 H ALA 52 H ALA 52 8.467 14.276 9.833 416 HA ALA 52 HA ALA 52 7.641 12.632 12.114 417 HB1 ALA 52 3HB ALA 52 5.571 13.577 11.204 418 HB2 ALA 52 1HB ALA 52 5.645 11.833 10.947 419 HB3 ALA 52 2HB ALA 52 5.975 12.938 9.611 420 H ILE 53 H ILE 53 8.239 10.517 11.954 421 HA ILE 53 HA ILE 53 9.631 9.674 9.493 422 HB ILE 53 HB ILE 53 10.008 8.727 12.345 423 HG12 ILE 53 2HG1 ILE 53 11.818 10.259 10.451 424 HG13 ILE 53 3HG1 ILE 53 11.038 10.902 11.891 425 HG21 ILE 53 1HG2 ILE 53 11.826 7.315 11.467 426 HG22 ILE 53 2HG2 ILE 53 11.378 7.771 9.823 427 HG23 ILE 53 3HG2 ILE 53 10.255 6.843 10.817 428 HD11 ILE 53 3HD1 ILE 53 12.375 9.379 13.275 429 HD12 ILE 53 1HD1 ILE 53 13.373 10.463 12.306 430 HD13 ILE 53 2HD1 ILE 53 13.174 8.783 11.819 431 H ILE 54 H ILE 54 8.688 8.169 8.288 432 HA ILE 54 HA ILE 54 6.483 6.589 9.426 433 HB ILE 54 HB ILE 54 7.236 7.141 6.544 434 HG12 ILE 54 2HG1 ILE 54 4.913 8.182 6.525 435 HG13 ILE 54 3HG1 ILE 54 4.908 8.020 8.277 436 HG21 ILE 54 1HG2 ILE 54 6.401 4.875 6.679 437 HG22 ILE 54 2HG2 ILE 54 5.182 5.907 5.931 438 HG23 ILE 54 3HG2 ILE 54 5.005 5.409 7.615 439 HD11 ILE 54 3HD1 ILE 54 6.872 9.638 6.664 440 HD12 ILE 54 1HD1 ILE 54 6.839 9.502 8.422 441 HD13 ILE 54 2HD1 ILE 54 5.500 10.273 7.572 442 H GLN 55 H GLN 55 6.819 4.517 9.964 443 HA GLN 55 HA GLN 55 9.012 3.043 8.632 444 HB2 GLN 55 2HB GLN 55 9.220 3.546 11.141 445 HB3 GLN 55 3HB GLN 55 7.910 2.401 11.376 446 HG2 GLN 55 2HG GLN 55 10.450 1.664 9.940 447 HG3 GLN 55 3HG GLN 55 10.290 1.553 11.689 448 HE21 GLN 55 1HE2 GLN 55 10.739 -0.505 9.634 449 HE22 GLN 55 2HE2 GLN 55 9.493 -1.675 9.875 450 H ILE 56 H ILE 56 8.048 1.839 7.074 451 HA ILE 56 HA ILE 56 5.503 0.516 7.593 452 HB ILE 56 HB ILE 56 5.923 1.581 5.392 453 HG12 ILE 56 2HG1 ILE 56 4.374 -0.460 5.731 454 HG13 ILE 56 3HG1 ILE 56 4.813 -0.025 4.087 455 HG21 ILE 56 1HG2 ILE 56 7.408 0.507 3.756 456 HG22 ILE 56 2HG2 ILE 56 7.992 -0.577 5.019 457 HG23 ILE 56 3HG2 ILE 56 8.280 1.159 5.142 458 HD11 ILE 56 3HD1 ILE 56 6.486 -1.821 4.074 459 HD12 ILE 56 1HD1 ILE 56 4.856 -2.420 4.391 460 HD13 ILE 56 2HD1 ILE 56 6.007 -2.259 5.716 461 H VAL 57 H VAL 57 5.354 -1.488 8.394 462 HA VAL 57 HA VAL 57 7.687 -2.846 9.265 463 HB VAL 57 HB VAL 57 4.911 -4.041 9.181 464 HG11 VAL 57 1HG1 VAL 57 7.211 -4.459 11.096 465 HG12 VAL 57 2HG1 VAL 57 6.726 -5.563 9.811 466 HG13 VAL 57 3HG1 VAL 57 5.639 -5.260 11.164 467 HG21 VAL 57 3HG2 VAL 57 4.747 -1.798 10.144 468 HG22 VAL 57 1HG2 VAL 57 6.049 -2.179 11.274 469 HG23 VAL 57 2HG2 VAL 57 4.511 -3.034 11.380 470 H HIS 58 H HIS 58 5.095 -4.328 7.288 471 HA HIS 58 HA HIS 58 6.727 -4.813 5.038 472 HD1 HIS 58 HD1 HIS 58 4.952 -8.807 5.915 473 HD2 HIS 58 HD2 HIS 58 6.935 -6.891 9.016 474 HE1 HIS 58 HE1 HIS 58 4.191 -9.959 8.008 475 HE2 HIS 58 HE2 HIS 58 5.230 -8.633 9.872 476 HB2 HIS 58 2HB HIS 58 6.856 -7.296 5.130 477 HB3 HIS 58 3HB HIS 58 7.831 -6.507 6.361 478 H ALA 59 H ALA 59 5.595 -5.825 3.296 479 HA ALA 59 HA ALA 59 2.709 -5.433 3.559 480 HB1 ALA 59 3HB ALA 59 4.403 -5.756 1.077 481 HB2 ALA 59 1HB ALA 59 3.905 -4.224 1.798 482 HB3 ALA 59 2HB ALA 59 2.696 -5.316 1.124 483 H ILE 60 H ILE 60 1.580 -7.213 4.118 484 HA ILE 60 HA ILE 60 2.493 -9.864 3.359 485 HB ILE 60 HB ILE 60 -0.001 -9.098 4.899 486 HG12 ILE 60 2HG1 ILE 60 1.399 -10.049 6.862 487 HG13 ILE 60 3HG1 ILE 60 2.792 -9.777 5.822 488 HG21 ILE 60 1HG2 ILE 60 1.361 -11.770 4.570 489 HG22 ILE 60 2HG2 ILE 60 -0.187 -11.289 3.879 490 HG23 ILE 60 3HG2 ILE 60 -0.015 -11.441 5.625 491 HD11 ILE 60 3HD1 ILE 60 0.841 -7.660 6.702 492 HD12 ILE 60 1HD1 ILE 60 2.307 -7.408 5.754 493 HD13 ILE 60 2HD1 ILE 60 2.420 -7.963 7.424 494 H ARG 61 H ARG 61 2.219 -9.949 1.127 495 HA ARG 61 HA ARG 61 -0.421 -9.394 -0.007 496 HE ARG 61 HE ARG 61 2.247 -11.930 0.133 497 HB2 ARG 61 2HB ARG 61 1.033 -10.037 -2.184 498 HB3 ARG 61 3HB ARG 61 0.975 -8.426 -1.495 499 HG2 ARG 61 2HG ARG 61 3.243 -8.854 -1.942 500 HG3 ARG 61 3HG ARG 61 3.064 -9.019 -0.199 501 HD2 ARG 61 2HD ARG 61 3.036 -11.369 -2.095 502 HD3 ARG 61 3HD ARG 61 4.508 -10.752 -1.353 503 HH11 ARG 61 1HH1 ARG 61 5.591 -11.213 -0.159 504 HH12 ARG 61 2HH1 ARG 61 6.026 -12.151 1.223 505 HH21 ARG 61 1HH2 ARG 61 2.802 -13.140 1.894 506 HH22 ARG 61 2HH2 ARG 61 4.465 -13.248 2.368 507 H GLU 62 H GLU 62 -1.665 -11.155 0.641 508 HA GLU 62 HA GLU 62 -0.727 -13.835 -0.146 509 HB2 GLU 62 2HB GLU 62 -3.095 -13.153 1.605 510 HB3 GLU 62 3HB GLU 62 -2.353 -14.730 1.394 511 HG2 GLU 62 2HG GLU 62 -1.038 -12.340 2.672 512 HG3 GLU 62 3HG GLU 62 -1.786 -13.673 3.543 513 H LYS 63 H LYS 63 -2.089 -15.270 -1.300 514 HA LYS 63 HA LYS 63 -4.475 -14.092 -2.563 515 HB2 LYS 63 2HB LYS 63 -3.832 -15.194 -4.713 516 HB3 LYS 63 3HB LYS 63 -2.775 -13.874 -4.238 517 HG2 LYS 63 2HG LYS 63 -1.048 -15.367 -3.587 518 HG3 LYS 63 3HG LYS 63 -2.120 -16.762 -3.700 519 HD2 LYS 63 2HD LYS 63 -0.601 -16.640 -5.619 520 HD3 LYS 63 3HD LYS 63 -2.282 -16.469 -6.117 521 HE2 LYS 63 2HE LYS 63 -0.969 -14.881 -7.339 522 HE3 LYS 63 3HE LYS 63 -1.946 -13.997 -6.170 523 HZ1 LYS 63 3HZ LYS 63 0.363 -13.213 -6.303 524 HZ2 LYS 63 1HZ LYS 63 0.908 -14.726 -5.779 525 HZ3 LYS 63 2HZ LYS 63 -0.035 -13.767 -4.756 526 H ARG 64 H ARG 64 -6.059 -15.641 -3.288 527 HA ARG 64 HA ARG 64 -5.839 -18.425 -2.630 528 HE ARG 64 HE ARG 64 -8.127 -18.203 1.566 529 HB2 ARG 64 2HB ARG 64 -7.534 -18.393 -0.792 530 HB3 ARG 64 3HB ARG 64 -6.010 -17.624 -0.363 531 HG2 ARG 64 2HG ARG 64 -7.060 -15.415 -0.870 532 HG3 ARG 64 3HG ARG 64 -8.596 -16.257 -1.095 533 HD2 ARG 64 2HD ARG 64 -6.943 -16.173 1.432 534 HD3 ARG 64 3HD ARG 64 -8.461 -15.323 1.145 535 HH11 ARG 64 1HH1 ARG 64 -10.225 -15.503 1.090 536 HH12 ARG 64 2HH1 ARG 64 -11.622 -16.374 1.614 537 HH21 ARG 64 1HH2 ARG 64 -9.938 -19.288 2.240 538 HH22 ARG 64 2HH2 ARG 64 -11.461 -18.467 2.271 539 H ILE 65 H ILE 65 -8.390 -19.241 -2.381 540 HA ILE 65 HA ILE 65 -9.604 -18.391 -4.904 541 HB ILE 65 HB ILE 65 -9.825 -20.836 -3.198 542 HG12 ILE 65 2HG1 ILE 65 -8.281 -20.717 -5.134 543 HG13 ILE 65 3HG1 ILE 65 -9.499 -21.975 -5.328 544 HG21 ILE 65 1HG2 ILE 65 -12.166 -20.201 -3.427 545 HG22 ILE 65 2HG2 ILE 65 -11.814 -21.623 -4.406 546 HG23 ILE 65 3HG2 ILE 65 -11.972 -20.042 -5.172 547 HD11 ILE 65 3HD1 ILE 65 -9.128 -20.765 -7.404 548 HD12 ILE 65 1HD1 ILE 65 -9.562 -19.248 -6.614 549 HD13 ILE 65 2HD1 ILE 65 -10.775 -20.517 -6.819 550 H LEU 66 H LEU 66 -11.603 -17.497 -5.130 551 HA LEU 66 HA LEU 66 -13.057 -16.689 -2.708 552 HG LEU 66 HG LEU 66 -15.499 -15.647 -4.181 553 HB2 LEU 66 2HB LEU 66 -12.567 -14.933 -4.346 554 HB3 LEU 66 3HB LEU 66 -13.392 -15.848 -5.596 555 HD11 LEU 66 1HD1 LEU 66 -14.475 -15.072 -2.064 556 HD12 LEU 66 2HD1 LEU 66 -15.583 -13.800 -2.574 557 HD13 LEU 66 3HD1 LEU 66 -13.841 -13.575 -2.748 558 HD21 LEU 66 3HD2 LEU 66 -15.216 -14.344 -6.195 559 HD22 LEU 66 1HD2 LEU 66 -14.269 -13.140 -5.322 560 HD23 LEU 66 2HD2 LEU 66 -15.979 -13.356 -4.950 561 H SER 67 H SER 67 -13.635 -18.267 -5.859 562 HA SER 67 HA SER 67 -15.899 -19.736 -4.696 563 HG SER 67 HG SER 67 -16.620 -17.366 -7.932 564 HB2 SER 67 2HB SER 67 -17.347 -19.176 -6.610 565 HB3 SER 67 3HB SER 67 -16.869 -17.722 -5.731 566 H LEU 68 H LEU 68 -16.239 -21.738 -5.540 567 HA LEU 68 HA LEU 68 -14.717 -22.535 -7.946 568 HG LEU 68 HG LEU 68 -13.399 -22.801 -5.131 569 HB2 LEU 68 2HB LEU 68 -15.390 -24.201 -5.510 570 HB3 LEU 68 3HB LEU 68 -14.667 -24.836 -6.976 571 HD11 LEU 68 1HD1 LEU 68 -13.504 -25.011 -4.114 572 HD12 LEU 68 2HD1 LEU 68 -11.847 -24.599 -4.548 573 HD13 LEU 68 3HD1 LEU 68 -12.766 -25.724 -5.550 574 HD21 LEU 68 3HD2 LEU 68 -11.380 -23.135 -6.482 575 HD22 LEU 68 1HD2 LEU 68 -12.700 -22.473 -7.445 576 HD23 LEU 68 2HD2 LEU 68 -12.285 -24.182 -7.576 577 H SER 69 H SER 69 -15.906 -23.397 -9.577 578 HA SER 69 HA SER 69 -18.754 -23.390 -9.441 579 HG SER 69 HG SER 69 -19.146 -23.680 -12.653 580 HB2 SER 69 2HB SER 69 -17.567 -22.870 -11.531 581 HB3 SER 69 3HB SER 69 -16.933 -24.512 -11.592 582 H GLU 70 H GLU 70 -19.720 -25.519 -10.736 583 HA GLU 70 HA GLU 70 -20.139 -27.340 -8.665 584 HB2 GLU 70 2HB GLU 70 -21.736 -26.883 -10.490 585 HB3 GLU 70 3HB GLU 70 -20.676 -27.718 -11.618 586 HG2 GLU 70 2HG GLU 70 -21.000 -29.806 -10.398 587 HG3 GLU 70 3HG GLU 70 -22.022 -28.974 -9.227 588 H SER 71 H SER 71 -18.449 -28.443 -7.857 589 HA SER 71 HA SER 71 -17.032 -30.180 -7.578 590 HG SER 71 HG SER 71 -17.205 -32.934 -8.386 591 HB2 SER 71 2HB SER 71 -18.718 -31.520 -8.764 592 HB3 SER 71 3HB SER 71 -17.963 -31.111 -10.305 593 H GLY 72 H GLY 72 -15.173 -28.931 -7.539 594 HA2 GLY 72 2HA GLY 72 -13.007 -28.446 -8.101 595 HA3 GLY 72 3HA GLY 72 -13.085 -29.902 -9.069 596 H ARG 73 H ARG 73 -14.090 -26.476 -9.235 597 HA ARG 73 HA ARG 73 -12.771 -26.232 -11.822 598 HE ARG 73 HE ARG 73 -14.081 -25.122 -15.980 599 HB2 ARG 73 2HB ARG 73 -15.243 -26.963 -12.100 600 HB3 ARG 73 3HB ARG 73 -15.640 -25.335 -11.578 601 HG2 ARG 73 2HG ARG 73 -15.694 -25.399 -13.967 602 HG3 ARG 73 3HG ARG 73 -14.285 -24.454 -13.475 603 HD2 ARG 73 2HD ARG 73 -12.810 -26.290 -13.921 604 HD3 ARG 73 3HD ARG 73 -14.167 -27.385 -14.182 605 HH11 ARG 73 1HH1 ARG 73 -13.113 -28.398 -15.474 606 HH12 ARG 73 2HH1 ARG 73 -12.925 -28.709 -17.164 607 HH21 ARG 73 1HH2 ARG 73 -13.830 -25.559 -18.148 608 HH22 ARG 73 2HH2 ARG 73 -13.308 -27.132 -18.648 609 H VAL 74 H VAL 74 -11.461 -24.515 -11.461 610 HA VAL 74 HA VAL 74 -11.895 -22.592 -9.427 611 HB VAL 74 HB VAL 74 -9.968 -22.486 -11.759 612 HG11 VAL 74 1HG1 VAL 74 -10.254 -20.274 -10.821 613 HG12 VAL 74 2HG1 VAL 74 -8.687 -20.914 -10.330 614 HG13 VAL 74 3HG1 VAL 74 -10.029 -20.900 -9.186 615 HG21 VAL 74 3HG2 VAL 74 -9.651 -24.472 -10.361 616 HG22 VAL 74 1HG2 VAL 74 -9.569 -23.456 -8.920 617 HG23 VAL 74 2HG2 VAL 74 -8.314 -23.341 -10.155 618 H ARG 75 H ARG 75 -13.065 -20.779 -9.410 619 HA ARG 75 HA ARG 75 -13.918 -19.575 -11.971 620 HE ARG 75 HE ARG 75 -17.368 -18.045 -10.585 621 HB2 ARG 75 2HB ARG 75 -15.238 -19.849 -9.306 622 HB3 ARG 75 3HB ARG 75 -15.632 -18.448 -10.292 623 HG2 ARG 75 2HG ARG 75 -16.277 -19.980 -12.132 624 HG3 ARG 75 3HG ARG 75 -16.004 -21.341 -11.039 625 HD2 ARG 75 2HD ARG 75 -18.397 -20.595 -11.214 626 HD3 ARG 75 3HD ARG 75 -17.743 -20.620 -9.574 627 HH11 ARG 75 1HH1 ARG 75 -20.015 -20.110 -9.770 628 HH12 ARG 75 2HH1 ARG 75 -21.026 -18.792 -9.300 629 HH21 ARG 75 1HH2 ARG 75 -18.676 -16.381 -9.997 630 HH22 ARG 75 2HH2 ARG 75 -20.303 -16.696 -9.496 631 H GLU 76 H GLU 76 -14.140 -17.999 -8.834 632 HA GLU 76 HA GLU 76 -12.481 -15.832 -9.913 633 HB2 GLU 76 2HB GLU 76 -14.582 -15.870 -7.746 634 HB3 GLU 76 3HB GLU 76 -13.517 -14.497 -8.010 635 HG2 GLU 76 2HG GLU 76 -15.465 -13.936 -9.156 636 HG3 GLU 76 3HG GLU 76 -14.369 -14.501 -10.415 637 H PHE 77 H PHE 77 -10.657 -15.169 -8.994 638 HA PHE 77 HA PHE 77 -9.611 -16.719 -6.720 639 HD1 PHE 77 HD1 PHE 77 -7.838 -18.594 -7.535 640 HD2 PHE 77 HD2 PHE 77 -6.038 -14.737 -7.366 641 HE1 PHE 77 HE1 PHE 77 -5.889 -19.560 -6.388 642 HE2 PHE 77 HE2 PHE 77 -4.090 -15.697 -6.219 643 HZ PHE 77 HZ PHE 77 -4.010 -18.108 -5.731 644 HB2 PHE 77 2HB PHE 77 -8.503 -16.674 -9.064 645 HB3 PHE 77 3HB PHE 77 -7.977 -15.051 -8.636 646 H GLU 78 H GLU 78 -9.178 -15.704 -4.829 647 HA GLU 78 HA GLU 78 -9.787 -12.855 -4.624 648 HB2 GLU 78 2HB GLU 78 -10.936 -14.479 -3.154 649 HB3 GLU 78 3HB GLU 78 -9.388 -14.933 -2.455 650 HG2 GLU 78 2HG GLU 78 -9.116 -12.635 -1.612 651 HG3 GLU 78 3HG GLU 78 -10.691 -12.215 -2.287 652 H LEU 79 H LEU 79 -8.222 -11.386 -4.552 653 HA LEU 79 HA LEU 79 -5.509 -12.145 -3.672 654 HG LEU 79 HG LEU 79 -6.708 -11.639 -6.635 655 HB2 LEU 79 2HB LEU 79 -6.381 -9.667 -5.180 656 HB3 LEU 79 3HB LEU 79 -4.731 -10.175 -4.871 657 HD11 LEU 79 1HD1 LEU 79 -5.305 -10.893 -8.486 658 HD12 LEU 79 2HD1 LEU 79 -4.308 -9.965 -7.365 659 HD13 LEU 79 3HD1 LEU 79 -5.999 -9.524 -7.614 660 HD21 LEU 79 3HD2 LEU 79 -4.779 -12.992 -7.311 661 HD22 LEU 79 1HD2 LEU 79 -5.126 -13.168 -5.589 662 HD23 LEU 79 2HD2 LEU 79 -3.778 -12.161 -6.120 663 H VAL 80 H VAL 80 -5.180 -11.709 -1.527 664 HA VAL 80 HA VAL 80 -6.448 -9.292 -0.402 665 HB VAL 80 HB VAL 80 -7.290 -11.241 0.707 666 HG11 VAL 80 1HG1 VAL 80 -4.430 -12.006 1.279 667 HG12 VAL 80 2HG1 VAL 80 -5.524 -12.824 0.165 668 HG13 VAL 80 3HG1 VAL 80 -5.859 -12.833 1.896 669 HG21 VAL 80 3HG2 VAL 80 -6.907 -9.300 2.125 670 HG22 VAL 80 1HG2 VAL 80 -5.264 -9.846 2.464 671 HG23 VAL 80 2HG2 VAL 80 -6.642 -10.785 3.038 672 H TYR 81 H TYR 81 -5.095 -7.657 -0.320 673 HA TYR 81 HA TYR 81 -2.243 -8.077 0.257 674 HD1 TYR 81 HD2 TYR 81 -0.320 -7.310 -0.711 675 HD2 TYR 81 HD1 TYR 81 -2.480 -3.638 -0.746 676 HE1 TYR 81 HE2 TYR 81 1.798 -6.068 -0.568 677 HE2 TYR 81 HE1 TYR 81 -0.368 -2.388 -0.608 678 HH TYR 81 HH TYR 81 1.929 -2.724 0.120 679 HB2 TYR 81 2HB TYR 81 -2.867 -6.832 -1.801 680 HB3 TYR 81 3HB TYR 81 -3.671 -5.624 -0.810 681 H ARG 82 H ARG 82 -1.577 -7.741 2.295 682 HA ARG 82 HA ARG 82 -3.207 -6.052 4.090 683 HE ARG 82 HE ARG 82 -4.989 -10.829 4.811 684 HB2 ARG 82 2HB ARG 82 -1.275 -8.254 4.858 685 HB3 ARG 82 3HB ARG 82 -2.396 -7.414 5.924 686 HG2 ARG 82 2HG ARG 82 -4.289 -8.410 4.782 687 HG3 ARG 82 3HG ARG 82 -3.212 -9.169 3.608 688 HD2 ARG 82 2HD ARG 82 -2.181 -10.476 5.435 689 HD3 ARG 82 3HD ARG 82 -3.310 -9.747 6.576 690 HH11 ARG 82 1HH1 ARG 82 -2.205 -12.151 6.348 691 HH12 ARG 82 2HH1 ARG 82 -2.814 -13.765 6.299 692 HH21 ARG 82 1HH2 ARG 82 -5.775 -12.921 4.798 693 HH22 ARG 82 2HH2 ARG 82 -4.800 -14.189 5.451 694 H VAL 83 H VAL 83 -2.345 -4.156 4.677 695 HA VAL 83 HA VAL 83 0.586 -3.779 4.551 696 HB VAL 83 HB VAL 83 -1.587 -1.666 4.463 697 HG11 VAL 83 1HG1 VAL 83 1.391 -1.451 3.992 698 HG12 VAL 83 2HG1 VAL 83 0.502 -0.817 5.377 699 HG13 VAL 83 3HG1 VAL 83 0.219 -0.151 3.770 700 HG21 VAL 83 3HG2 VAL 83 -1.056 -1.454 2.078 701 HG22 VAL 83 1HG2 VAL 83 -1.650 -3.068 2.465 702 HG23 VAL 83 2HG2 VAL 83 0.073 -2.802 2.208 703 H ALA 84 H ALA 84 1.692 -2.858 6.293 704 HA ALA 84 HA ALA 84 0.212 -1.930 8.637 705 HB1 ALA 84 3HB ALA 84 1.401 -3.389 10.186 706 HB2 ALA 84 1HB ALA 84 2.243 -4.162 8.840 707 HB3 ALA 84 2HB ALA 84 0.496 -4.345 9.013 708 H ALA 85 H ALA 85 1.301 -0.360 9.820 709 HA ALA 85 HA ALA 85 4.139 0.087 9.471 710 HB1 ALA 85 3HB ALA 85 3.968 2.285 8.444 711 HB2 ALA 85 1HB ALA 85 2.213 2.132 8.362 712 HB3 ALA 85 2HB ALA 85 3.238 1.062 7.405 713 H ARG 86 H ARG 86 4.822 2.210 10.534 714 HA ARG 86 HA ARG 86 3.094 2.971 12.800 715 HE ARG 86 HE ARG 86 5.004 -0.981 15.928 716 HB2 ARG 86 2HB ARG 86 6.018 2.235 12.840 717 HB3 ARG 86 3HB ARG 86 5.335 3.288 14.070 718 HG2 ARG 86 2HG ARG 86 3.720 1.498 14.645 719 HG3 ARG 86 3HG ARG 86 4.527 0.443 13.482 720 HD2 ARG 86 2HD ARG 86 6.528 0.418 14.744 721 HD3 ARG 86 3HD ARG 86 6.015 1.779 15.740 722 HH11 ARG 86 1HH1 ARG 86 5.343 2.180 17.255 723 HH12 ARG 86 2HH1 ARG 86 4.692 1.741 18.792 724 HH21 ARG 86 1HH2 ARG 86 4.196 -1.554 17.922 725 HH22 ARG 86 2HH2 ARG 86 4.084 -0.368 19.178 726 H LEU 87 H LEU 87 3.598 5.112 13.708 727 HA LEU 87 HA LEU 87 4.860 6.932 11.749 728 HG LEU 87 HG LEU 87 3.619 8.794 10.825 729 HB2 LEU 87 2HB LEU 87 2.277 6.846 11.839 730 HB3 LEU 87 3HB LEU 87 2.432 7.682 13.369 731 HD11 LEU 87 1HD1 LEU 87 1.602 10.159 10.579 732 HD12 LEU 87 2HD1 LEU 87 0.847 9.293 11.917 733 HD13 LEU 87 3HD1 LEU 87 1.241 8.438 10.425 734 HD21 LEU 87 3HD2 LEU 87 3.429 10.937 12.027 735 HD22 LEU 87 1HD2 LEU 87 4.448 9.784 12.889 736 HD23 LEU 87 2HD2 LEU 87 2.799 10.083 13.436 737 H LEU 88 H LEU 88 6.723 7.430 12.773 738 HA LEU 88 HA LEU 88 6.657 8.266 15.600 739 HG LEU 88 HG LEU 88 7.576 5.845 15.802 740 HB2 LEU 88 2HB LEU 88 9.070 7.628 13.883 741 HB3 LEU 88 3HB LEU 88 9.073 7.950 15.605 742 HD11 LEU 88 1HD1 LEU 88 7.888 4.171 14.054 743 HD12 LEU 88 2HD1 LEU 88 8.766 5.344 13.073 744 HD13 LEU 88 3HD1 LEU 88 7.056 5.595 13.429 745 HD21 LEU 88 3HD2 LEU 88 10.475 5.584 14.992 746 HD22 LEU 88 1HD2 LEU 88 9.536 4.376 15.873 747 HD23 LEU 88 2HD2 LEU 88 9.870 5.942 16.612 748 H ASP 89 H ASP 89 8.611 9.970 15.965 749 HA ASP 89 HA ASP 89 8.278 12.122 13.962 750 HB2 ASP 89 2HB ASP 89 8.544 13.738 15.721 751 HB3 ASP 89 3HB ASP 89 7.335 12.576 16.249 752 H ALA 90 H ALA 90 10.276 13.816 14.484 753 HA ALA 90 HA ALA 90 12.564 12.626 13.362 754 HB1 ALA 90 3HB ALA 90 13.663 14.758 13.718 755 HB2 ALA 90 1HB ALA 90 12.411 15.236 14.866 756 HB3 ALA 90 2HB ALA 90 12.008 15.014 13.165 757 H HIS 91 H HIS 91 11.518 12.476 16.573 758 HA HIS 91 HA HIS 91 14.229 12.105 17.654 759 HD1 HIS 91 HD1 HIS 91 14.256 14.384 20.313 760 HD2 HIS 91 HD2 HIS 91 11.156 14.736 17.570 761 HE1 HIS 91 HE1 HIS 91 13.977 16.846 19.923 762 HE2 HIS 91 HE2 HIS 91 12.020 17.041 18.362 763 HB2 HIS 91 2HB HIS 91 11.566 12.254 19.096 764 HB3 HIS 91 3HB HIS 91 13.153 12.190 19.859 765 H ASN 92 H ASN 92 12.269 10.254 16.000 766 HA ASN 92 HA ASN 92 11.886 8.039 15.735 767 HB2 ASN 92 2HB ASN 92 14.101 7.713 17.771 768 HB3 ASN 92 3HB ASN 92 13.485 6.448 16.712 769 HD21 ASN 92 1HD2 ASN 92 13.966 6.537 14.496 770 HD22 ASN 92 2HD2 ASN 92 15.247 7.523 13.894 771 H ALA 93 H ALA 93 10.522 9.557 17.930 772 HA ALA 93 HA ALA 93 9.673 7.299 19.626 773 HB1 ALA 93 3HB ALA 93 10.327 9.343 20.813 774 HB2 ALA 93 1HB ALA 93 8.617 8.982 21.051 775 HB3 ALA 93 2HB ALA 93 9.104 10.253 19.928 776 H GLU 94 H GLU 94 7.733 6.336 19.243 777 HA GLU 94 HA GLU 94 6.232 6.907 16.953 778 HB2 GLU 94 2HB GLU 94 4.536 5.342 17.890 779 HB3 GLU 94 3HB GLU 94 6.171 4.702 17.898 780 HG2 GLU 94 2HG GLU 94 6.333 5.318 20.312 781 HG3 GLU 94 3HG GLU 94 4.633 5.779 20.254 782 H LEU 95 H LEU 95 5.326 8.829 16.649 783 HA LEU 95 HA LEU 95 4.256 10.468 18.718 784 HG LEU 95 HG LEU 95 4.201 13.217 16.201 785 HB2 LEU 95 2HB LEU 95 5.294 11.084 16.399 786 HB3 LEU 95 3HB LEU 95 3.675 10.835 15.785 787 HD11 LEU 95 1HD1 LEU 95 1.870 12.443 16.298 788 HD12 LEU 95 2HD1 LEU 95 2.168 13.811 17.369 789 HD13 LEU 95 3HD1 LEU 95 2.039 12.183 18.034 790 HD21 LEU 95 3HD2 LEU 95 5.706 12.919 18.105 791 HD22 LEU 95 1HD2 LEU 95 4.348 12.403 19.107 792 HD23 LEU 95 2HD2 LEU 95 4.411 14.054 18.485 793 H ALA 96 H ALA 96 2.822 8.445 16.187 794 HA ALA 96 HA ALA 96 0.346 8.281 17.729 795 HB1 ALA 96 3HB ALA 96 0.014 10.170 16.179 796 HB2 ALA 96 1HB ALA 96 -1.075 8.827 15.839 797 HB3 ALA 96 2HB ALA 96 0.337 9.096 14.820 798 H SER 97 H SER 97 -0.764 6.360 17.455 799 HA SER 97 HA SER 97 0.699 4.187 16.252 800 HG SER 97 HG SER 97 -2.023 2.298 16.589 801 HB2 SER 97 2HB SER 97 -0.497 3.832 18.361 802 HB3 SER 97 3HB SER 97 -2.030 4.208 17.576 803 H LEU 98 H LEU 98 0.503 3.470 14.234 804 HA LEU 98 HA LEU 98 -1.813 4.331 12.629 805 HG LEU 98 HG LEU 98 -0.785 3.094 9.905 806 HB2 LEU 98 2HB LEU 98 0.476 5.007 11.885 807 HB3 LEU 98 3HB LEU 98 0.878 3.312 11.686 808 HD11 LEU 98 1HD1 LEU 98 -2.436 4.693 10.717 809 HD12 LEU 98 2HD1 LEU 98 -1.977 5.066 9.055 810 HD13 LEU 98 3HD1 LEU 98 -1.331 6.027 10.385 811 HD21 LEU 98 3HD2 LEU 98 1.491 3.798 9.318 812 HD22 LEU 98 1HD2 LEU 98 1.021 5.489 9.502 813 HD23 LEU 98 2HD2 LEU 98 0.301 4.505 8.227 814 H GLN 99 H GLN 99 -3.195 2.850 11.787 815 HA GLN 99 HA GLN 99 -3.067 0.170 12.824 816 HB2 GLN 99 2HB GLN 99 -5.288 -0.099 11.929 817 HB3 GLN 99 3HB GLN 99 -5.175 1.484 12.686 818 HG2 GLN 99 2HG GLN 99 -4.968 2.557 10.535 819 HG3 GLN 99 3HG GLN 99 -4.917 0.995 9.720 820 HE21 GLN 99 1HE2 GLN 99 -6.821 -0.227 9.573 821 HE22 GLN 99 2HE2 GLN 99 -8.377 0.493 9.793 822 H GLU 100 H GLU 100 -3.930 -1.613 11.219 823 HA GLU 100 HA GLU 100 -2.177 -1.671 8.877 824 HB2 GLU 100 2HB GLU 100 -2.814 -4.074 8.741 825 HB3 GLU 100 3HB GLU 100 -2.056 -3.635 10.262 826 HG2 GLU 100 2HG GLU 100 -3.757 -4.965 11.004 827 HG3 GLU 100 3HG GLU 100 -4.522 -3.382 11.089 828 H ILE 101 H ILE 101 -2.982 -2.200 6.779 829 HA ILE 101 HA ILE 101 -5.836 -1.539 6.395 830 HB ILE 101 HB ILE 101 -3.591 -0.843 4.479 831 HG12 ILE 101 2HG1 ILE 101 -5.113 1.020 6.330 832 HG13 ILE 101 3HG1 ILE 101 -3.495 0.411 6.662 833 HG21 ILE 101 1HG2 ILE 101 -5.774 -1.162 3.402 834 HG22 ILE 101 2HG2 ILE 101 -5.291 0.533 3.356 835 HG23 ILE 101 3HG2 ILE 101 -6.501 -0.007 4.518 836 HD11 ILE 101 3HD1 ILE 101 -4.287 2.129 4.327 837 HD12 ILE 101 1HD1 ILE 101 -2.666 1.522 4.658 838 HD13 ILE 101 2HD1 ILE 101 -3.427 2.659 5.771 839 H ARG 102 H ARG 102 -6.918 -3.258 5.686 840 HA ARG 102 HA ARG 102 -5.450 -5.362 4.233 841 HE ARG 102 HE ARG 102 -5.919 -6.943 7.702 842 HB2 ARG 102 2HB ARG 102 -6.614 -5.677 6.566 843 HB3 ARG 102 3HB ARG 102 -8.085 -5.799 5.611 844 HG2 ARG 102 2HG ARG 102 -7.292 -7.737 4.482 845 HG3 ARG 102 3HG ARG 102 -5.663 -7.525 5.132 846 HD2 ARG 102 2HD ARG 102 -8.162 -8.251 6.663 847 HD3 ARG 102 3HD ARG 102 -6.752 -9.272 6.376 848 HH11 ARG 102 1HH1 ARG 102 -7.708 -9.828 8.332 849 HH12 ARG 102 2HH1 ARG 102 -7.438 -9.742 10.037 850 HH21 ARG 102 1HH2 ARG 102 -5.540 -6.878 9.856 851 HH22 ARG 102 2HH2 ARG 102 -6.196 -8.096 10.901 852 H LEU 103 H LEU 103 -5.819 -5.346 2.099 853 HA LEU 103 HA LEU 103 -8.468 -4.512 1.075 854 HG LEU 103 HG LEU 103 -5.851 -2.745 1.378 855 HB2 LEU 103 2HB LEU 103 -5.801 -4.527 -0.353 856 HB3 LEU 103 3HB LEU 103 -7.314 -3.916 -0.997 857 HD11 LEU 103 1HD1 LEU 103 -6.017 -1.751 -1.470 858 HD12 LEU 103 2HD1 LEU 103 -4.589 -2.432 -0.689 859 HD13 LEU 103 3HD1 LEU 103 -5.262 -0.905 -0.117 860 HD21 LEU 103 3HD2 LEU 103 -8.237 -1.722 -0.166 861 HD22 LEU 103 1HD2 LEU 103 -7.410 -0.880 1.145 862 HD23 LEU 103 2HD2 LEU 103 -8.268 -2.386 1.470 863 H THR 104 H THR 104 -9.589 -5.837 -0.349 864 HA THR 104 HA THR 104 -8.260 -8.304 -1.308 865 HB THR 104 HB THR 104 -10.379 -9.555 -1.051 866 HG1 THR 104 HG1 THR 104 -11.845 -7.788 -1.037 867 HG21 THR 104 3HG2 THR 104 -9.420 -8.318 1.535 868 HG22 THR 104 1HG2 THR 104 -8.693 -9.704 0.719 869 HG23 THR 104 2HG2 THR 104 -10.323 -9.827 1.379 870 H ARG 105 H ARG 105 -8.364 -8.524 -3.473 871 HA ARG 105 HA ARG 105 -10.591 -7.213 -4.912 872 HE ARG 105 HE ARG 105 -6.935 -4.239 -6.450 873 HB2 ARG 105 2HB ARG 105 -8.298 -6.100 -5.152 874 HB3 ARG 105 3HB ARG 105 -7.817 -7.523 -6.070 875 HG2 ARG 105 2HG ARG 105 -9.415 -7.073 -7.773 876 HG3 ARG 105 3HG ARG 105 -10.196 -5.827 -6.797 877 HD2 ARG 105 2HD ARG 105 -7.462 -5.729 -8.073 878 HD3 ARG 105 3HD ARG 105 -8.862 -4.728 -8.453 879 HH11 ARG 105 1HH1 ARG 105 -10.326 -3.927 -7.020 880 HH12 ARG 105 2HH1 ARG 105 -10.501 -2.648 -5.874 881 HH21 ARG 105 1HH2 ARG 105 -7.187 -2.588 -5.011 882 HH22 ARG 105 2HH2 ARG 105 -8.747 -1.893 -4.758 883 H ILE 106 H ILE 106 -11.292 -8.256 -6.895 884 HA ILE 106 HA ILE 106 -10.929 -11.173 -6.687 885 HB ILE 106 HB ILE 106 -13.208 -9.674 -7.990 886 HG12 ILE 106 2HG1 ILE 106 -13.229 -9.186 -5.617 887 HG13 ILE 106 3HG1 ILE 106 -14.499 -10.357 -5.952 888 HG21 ILE 106 1HG2 ILE 106 -12.909 -11.924 -8.877 889 HG22 ILE 106 2HG2 ILE 106 -14.370 -11.841 -7.893 890 HG23 ILE 106 3HG2 ILE 106 -12.909 -12.587 -7.243 891 HD11 ILE 106 3HD1 ILE 106 -13.367 -10.923 -3.906 892 HD12 ILE 106 1HD1 ILE 106 -11.808 -10.931 -4.730 893 HD13 ILE 106 2HD1 ILE 106 -13.021 -12.148 -5.127 894 H LEU 107 H LEU 107 -9.882 -12.217 -8.207 895 HA LEU 107 HA LEU 107 -9.408 -11.006 -10.848 896 HG LEU 107 HG LEU 107 -6.034 -12.735 -10.899 897 HB2 LEU 107 2HB LEU 107 -7.472 -11.618 -9.390 898 HB3 LEU 107 3HB LEU 107 -7.992 -13.285 -9.433 899 HD11 LEU 107 1HD1 LEU 107 -6.770 -14.042 -12.816 900 HD12 LEU 107 2HD1 LEU 107 -8.452 -13.805 -12.349 901 HD13 LEU 107 3HD1 LEU 107 -7.373 -14.733 -11.309 902 HD21 LEU 107 3HD2 LEU 107 -6.401 -11.578 -13.003 903 HD22 LEU 107 1HD2 LEU 107 -6.766 -10.523 -11.639 904 HD23 LEU 107 2HD2 LEU 107 -8.077 -11.261 -12.559 905 HA PRO 108 HA PRO 108 -12.222 -14.285 -12.355 906 HB2 PRO 108 2HB PRO 108 -12.379 -13.424 -14.919 907 HB3 PRO 108 3HB PRO 108 -13.265 -12.641 -13.604 908 HG2 PRO 108 2HG PRO 108 -10.690 -11.823 -14.905 909 HG3 PRO 108 3HG PRO 108 -12.080 -10.819 -14.446 910 HD2 PRO 108 2HD PRO 108 -9.814 -11.008 -12.939 911 HD3 PRO 108 3HD PRO 108 -11.412 -10.685 -12.242 912 H PHE 109 H PHE 109 -11.446 -16.286 -12.792 913 HA PHE 109 HA PHE 109 -8.820 -16.555 -14.026 914 HD1 PHE 109 HD1 PHE 109 -6.949 -18.185 -12.607 915 HD2 PHE 109 HD2 PHE 109 -10.161 -20.549 -14.108 916 HE1 PHE 109 HE1 PHE 109 -5.348 -19.930 -13.281 917 HE2 PHE 109 HE2 PHE 109 -8.565 -22.293 -14.782 918 HZ PHE 109 HZ PHE 109 -6.158 -21.986 -14.369 919 HB2 PHE 109 2HB PHE 109 -9.316 -17.767 -11.946 920 HB3 PHE 109 3HB PHE 109 -10.615 -18.637 -12.753 921 H LEU 110 H LEU 110 -8.867 -16.465 -16.200 922 HA LEU 110 HA LEU 110 -10.701 -18.227 -17.677 923 HG LEU 110 HG LEU 110 -11.876 -16.240 -18.676 924 HB2 LEU 110 2HB LEU 110 -8.861 -16.021 -18.632 925 HB3 LEU 110 3HB LEU 110 -9.729 -17.089 -19.716 926 HD11 LEU 110 1HD1 LEU 110 -10.029 -14.173 -17.490 927 HD12 LEU 110 2HD1 LEU 110 -10.990 -15.351 -16.598 928 HD13 LEU 110 3HD1 LEU 110 -11.789 -14.079 -17.523 929 HD21 LEU 110 3HD2 LEU 110 -10.112 -14.236 -20.086 930 HD22 LEU 110 1HD2 LEU 110 -11.872 -14.175 -19.982 931 HD23 LEU 110 2HD2 LEU 110 -11.086 -15.489 -20.860 932 H ASP 111 H ASP 111 -9.916 -19.870 -19.049 933 HA ASP 111 HA ASP 111 -7.131 -20.666 -18.505 934 HB2 ASP 111 2HB ASP 111 -8.871 -22.271 -17.826 935 HB3 ASP 111 3HB ASP 111 -9.450 -22.349 -19.488 936 H ALA 112 H ALA 112 -9.465 -20.437 -21.189 937 HA ALA 112 HA ALA 112 -7.638 -21.267 -23.204 938 HB1 ALA 112 3HB ALA 112 -10.082 -21.437 -23.435 939 HB2 ALA 112 1HB ALA 112 -9.341 -20.577 -24.787 940 HB3 ALA 112 2HB ALA 112 -10.183 -19.679 -23.524 941 H GLN 113 H GLN 113 -8.730 -18.047 -22.151 942 HA GLN 113 HA GLN 113 -7.122 -16.697 -24.139 943 HB2 GLN 113 2HB GLN 113 -8.795 -15.642 -21.848 944 HB3 GLN 113 3HB GLN 113 -7.940 -14.616 -22.993 945 HG2 GLN 113 2HG GLN 113 -10.099 -16.600 -23.705 946 HG3 GLN 113 3HG GLN 113 -10.322 -14.859 -23.531 947 HE21 GLN 113 1HE2 GLN 113 -10.707 -16.611 -25.858 948 HE22 GLN 113 2HE2 GLN 113 -9.716 -15.949 -27.109 949 H GLU 114 H GLU 114 -4.962 -16.903 -23.816 950 HA GLU 114 HA GLU 114 -3.803 -16.757 -21.167 951 HB2 GLU 114 2HB GLU 114 -1.670 -17.169 -22.265 952 HB3 GLU 114 3HB GLU 114 -2.885 -18.302 -22.837 953 HG2 GLU 114 2HG GLU 114 -3.156 -16.984 -24.879 954 HG3 GLU 114 3HG GLU 114 -1.941 -15.845 -24.302 955 H LEU 115 H LEU 115 -4.024 -14.621 -24.000 956 HA LEU 115 HA LEU 115 -2.203 -12.651 -23.178 957 HG LEU 115 HG LEU 115 -3.100 -11.806 -26.670 958 HB2 LEU 115 2HB LEU 115 -4.674 -12.524 -24.892 959 HB3 LEU 115 3HB LEU 115 -3.787 -11.066 -24.502 960 HD11 LEU 115 1HD1 LEU 115 -1.349 -10.862 -25.269 961 HD12 LEU 115 2HD1 LEU 115 -0.695 -12.081 -26.360 962 HD13 LEU 115 3HD1 LEU 115 -0.947 -12.469 -24.659 963 HD21 LEU 115 3HD2 LEU 115 -2.430 -14.467 -25.414 964 HD22 LEU 115 1HD2 LEU 115 -2.093 -13.996 -27.079 965 HD23 LEU 115 2HD2 LEU 115 -3.759 -14.144 -26.526 966 H ALA 116 H ALA 116 -5.668 -12.966 -22.449 967 HA ALA 116 HA ALA 116 -5.972 -10.713 -20.822 968 HB1 ALA 116 3HB ALA 116 -7.906 -11.835 -19.880 969 HB2 ALA 116 1HB ALA 116 -7.338 -13.388 -20.499 970 HB3 ALA 116 2HB ALA 116 -7.833 -12.119 -21.618 971 H LYS 117 H LYS 117 -4.893 -13.994 -19.973 972 HA LYS 117 HA LYS 117 -4.592 -13.390 -17.176 973 HB2 LYS 117 2HB LYS 117 -3.624 -15.749 -18.798 974 HB3 LYS 117 3HB LYS 117 -3.578 -15.643 -17.044 975 HG2 LYS 117 2HG LYS 117 -6.132 -15.442 -18.628 976 HG3 LYS 117 3HG LYS 117 -5.477 -16.972 -18.053 977 HD2 LYS 117 2HD LYS 117 -6.761 -16.586 -16.236 978 HD3 LYS 117 3HD LYS 117 -5.459 -15.505 -15.750 979 HE2 LYS 117 2HE LYS 117 -7.785 -14.543 -17.406 980 HE3 LYS 117 3HE LYS 117 -7.875 -14.630 -15.650 981 HZ1 LYS 117 3HZ LYS 117 -5.957 -13.015 -17.231 982 HZ2 LYS 117 1HZ LYS 117 -5.940 -13.152 -15.547 983 HZ3 LYS 117 2HZ LYS 117 -7.260 -12.437 -16.335 984 H ALA 118 H ALA 118 -2.759 -12.532 -19.799 985 HA ALA 118 HA ALA 118 -0.220 -12.504 -18.341 986 HB1 ALA 118 3HB ALA 118 0.725 -11.652 -20.447 987 HB2 ALA 118 1HB ALA 118 -0.891 -11.620 -21.154 988 HB3 ALA 118 2HB ALA 118 -0.160 -13.157 -20.689 989 H ALA 119 H ALA 119 -2.925 -10.500 -18.868 990 HA ALA 119 HA ALA 119 -1.388 -8.064 -18.207 991 HB1 ALA 119 3HB ALA 119 -3.147 -6.776 -19.287 992 HB2 ALA 119 1HB ALA 119 -4.040 -8.258 -19.630 993 HB3 ALA 119 2HB ALA 119 -2.477 -7.974 -20.396 994 H GLU 120 H GLU 120 -4.666 -9.445 -17.724 995 HA GLU 120 HA GLU 120 -5.721 -7.603 -16.009 996 HB2 GLU 120 2HB GLU 120 -6.115 -10.598 -15.918 997 HB3 GLU 120 3HB GLU 120 -7.136 -9.440 -15.080 998 HG2 GLU 120 2HG GLU 120 -7.742 -8.439 -17.253 999 HG3 GLU 120 3HG GLU 120 -6.771 -9.670 -18.061 1000 H GLU 121 H GLU 121 -3.836 -10.432 -14.990 1001 HA GLU 121 HA GLU 121 -4.036 -10.107 -12.227 1002 HB2 GLU 121 2HB GLU 121 -1.929 -11.379 -13.969 1003 HB3 GLU 121 3HB GLU 121 -1.778 -11.363 -12.221 1004 HG2 GLU 121 2HG GLU 121 -2.675 -13.466 -12.804 1005 HG3 GLU 121 3HG GLU 121 -3.991 -12.537 -12.100 1006 H GLU 122 H GLU 122 -1.290 -9.145 -14.293 1007 HA GLU 122 HA GLU 122 0.145 -7.794 -12.307 1008 HB2 GLU 122 2HB GLU 122 0.176 -7.359 -15.304 1009 HB3 GLU 122 3HB GLU 122 1.398 -6.772 -14.184 1010 HG2 GLU 122 2HG GLU 122 0.729 -9.675 -14.667 1011 HG3 GLU 122 3HG GLU 122 2.098 -8.809 -15.362 1012 H MET 123 H MET 123 -2.365 -6.638 -14.502 1013 HA MET 123 HA MET 123 -2.194 -3.885 -13.963 1014 HB2 MET 123 2HB MET 123 -4.614 -5.580 -14.632 1015 HB3 MET 123 3HB MET 123 -4.609 -3.822 -14.626 1016 HG2 MET 123 2HG MET 123 -2.991 -3.785 -16.429 1017 HG3 MET 123 3HG MET 123 -2.882 -5.545 -16.396 1018 HE1 MET 123 3HE MET 123 -5.190 -2.451 -17.173 1019 HE2 MET 123 1HE MET 123 -6.123 -3.338 -15.966 1020 HE3 MET 123 2HE MET 123 -6.697 -3.246 -17.629 1021 H LEU 124 H LEU 124 -3.944 -6.476 -12.266 1022 HA LEU 124 HA LEU 124 -5.214 -4.722 -10.405 1023 HG LEU 124 HG LEU 124 -6.217 -7.285 -12.076 1024 HB2 LEU 124 2HB LEU 124 -4.714 -7.697 -10.235 1025 HB3 LEU 124 3HB LEU 124 -5.735 -6.789 -9.135 1026 HD11 LEU 124 1HD1 LEU 124 -7.792 -8.073 -9.626 1027 HD12 LEU 124 2HD1 LEU 124 -6.782 -9.145 -10.598 1028 HD13 LEU 124 3HD1 LEU 124 -8.227 -8.419 -11.302 1029 HD21 LEU 124 3HD2 LEU 124 -8.294 -6.000 -11.810 1030 HD22 LEU 124 1HD2 LEU 124 -6.866 -4.993 -11.566 1031 HD23 LEU 124 2HD2 LEU 124 -7.802 -5.549 -10.177 1032 H TYR 125 H TYR 125 -2.168 -6.532 -10.360 1033 HA TYR 125 HA TYR 125 -1.522 -6.194 -7.658 1034 HD1 TYR 125 HD2 TYR 125 0.404 -7.797 -6.628 1035 HD2 TYR 125 HD1 TYR 125 -0.504 -8.749 -10.681 1036 HE1 TYR 125 HE2 TYR 125 0.263 -10.175 -6.033 1037 HE2 TYR 125 HE1 TYR 125 -0.646 -11.131 -10.090 1038 HH TYR 125 HH TYR 125 0.140 -12.650 -8.386 1039 HB2 TYR 125 2HB TYR 125 0.158 -6.545 -10.125 1040 HB3 TYR 125 3HB TYR 125 0.930 -6.221 -8.577 1041 H LYS 126 H LYS 126 -0.555 -4.067 -10.392 1042 HA LYS 126 HA LYS 126 0.644 -2.106 -8.732 1043 HB2 LYS 126 2HB LYS 126 0.570 -0.630 -10.699 1044 HB3 LYS 126 3HB LYS 126 1.169 -2.230 -11.112 1045 HG2 LYS 126 2HG LYS 126 -1.004 -2.816 -12.055 1046 HG3 LYS 126 3HG LYS 126 -1.638 -1.235 -11.599 1047 HD2 LYS 126 2HD LYS 126 0.738 -1.554 -13.433 1048 HD3 LYS 126 3HD LYS 126 -0.920 -1.544 -14.034 1049 HE2 LYS 126 2HE LYS 126 -0.078 0.672 -14.270 1050 HE3 LYS 126 3HE LYS 126 -1.214 0.695 -12.926 1051 HZ1 LYS 126 3HZ LYS 126 1.749 0.576 -12.664 1052 HZ2 LYS 126 1HZ LYS 126 0.641 0.661 -11.390 1053 HZ3 LYS 126 2HZ LYS 126 0.801 1.957 -12.454 1054 H ASP 127 H ASP 127 -2.671 -2.655 -9.696 1055 HA ASP 127 HA ASP 127 -3.715 -0.119 -8.929 1056 HB2 ASP 127 2HB ASP 127 -4.858 -1.767 -10.439 1057 HB3 ASP 127 3HB ASP 127 -5.157 -2.783 -9.032 1058 H MET 128 H MET 128 -3.539 -3.265 -7.257 1059 HA MET 128 HA MET 128 -4.677 -2.534 -4.805 1060 HB2 MET 128 2HB MET 128 -2.457 -4.531 -5.353 1061 HB3 MET 128 3HB MET 128 -3.358 -4.424 -3.846 1062 HG2 MET 128 2HG MET 128 -4.567 -5.032 -6.537 1063 HG3 MET 128 3HG MET 128 -4.130 -6.237 -5.328 1064 HE1 MET 128 3HE MET 128 -4.979 -5.093 -2.592 1065 HE2 MET 128 1HE MET 128 -5.430 -6.704 -3.152 1066 HE3 MET 128 2HE MET 128 -6.655 -5.631 -2.476 1067 H GLN 129 H GLN 129 -1.300 -2.397 -5.892 1068 HA GLN 129 HA GLN 129 -0.133 -1.352 -3.573 1069 HB2 GLN 129 2HB GLN 129 1.142 -2.231 -5.494 1070 HB3 GLN 129 3HB GLN 129 0.626 -0.866 -6.470 1071 HG2 GLN 129 2HG GLN 129 2.177 -0.444 -3.936 1072 HG3 GLN 129 3HG GLN 129 2.993 -0.862 -5.438 1073 HE21 GLN 129 1HE2 GLN 129 3.115 1.578 -3.815 1074 HE22 GLN 129 2HE2 GLN 129 2.692 2.867 -4.875 1075 H LYS 130 H LYS 130 -1.691 0.315 -6.305 1076 HA LYS 130 HA LYS 130 -1.033 2.928 -5.429 1077 HB2 LYS 130 2HB LYS 130 -1.641 2.384 -7.771 1078 HB3 LYS 130 3HB LYS 130 -3.305 2.124 -7.257 1079 HG2 LYS 130 2HG LYS 130 -3.563 4.420 -6.658 1080 HG3 LYS 130 3HG LYS 130 -1.838 4.727 -6.865 1081 HD2 LYS 130 2HD LYS 130 -2.080 4.212 -9.284 1082 HD3 LYS 130 3HD LYS 130 -3.821 4.030 -9.039 1083 HE2 LYS 130 2HE LYS 130 -3.273 6.250 -9.909 1084 HE3 LYS 130 3HE LYS 130 -3.965 6.355 -8.292 1085 HZ1 LYS 130 3HZ LYS 130 -1.673 6.545 -7.426 1086 HZ2 LYS 130 1HZ LYS 130 -2.100 7.821 -8.449 1087 HZ3 LYS 130 2HZ LYS 130 -1.095 6.587 -9.012 1088 H ASP 131 H ASP 131 -4.061 1.021 -5.035 1089 HA ASP 131 HA ASP 131 -5.469 3.022 -3.640 1090 HB2 ASP 131 2HB ASP 131 -6.506 0.941 -4.556 1091 HB3 ASP 131 3HB ASP 131 -5.748 0.027 -3.252 1092 H ALA 132 H ALA 132 -3.401 0.392 -2.433 1093 HA ALA 132 HA ALA 132 -3.711 0.758 0.300 1094 HB1 ALA 132 3HB ALA 132 -1.197 -0.085 -1.144 1095 HB2 ALA 132 1HB ALA 132 -2.537 -1.144 -0.698 1096 HB3 ALA 132 2HB ALA 132 -1.567 -0.372 0.557 1097 H VAL 133 H VAL 133 -1.282 2.317 -1.834 1098 HA VAL 133 HA VAL 133 -0.052 3.794 0.248 1099 HB VAL 133 HB VAL 133 1.084 3.360 -1.886 1100 HG11 VAL 133 1HG1 VAL 133 0.570 4.686 -3.882 1101 HG12 VAL 133 2HG1 VAL 133 -0.841 5.364 -3.067 1102 HG13 VAL 133 3HG1 VAL 133 -0.775 3.638 -3.428 1103 HG21 VAL 133 3HG2 VAL 133 2.103 5.572 -2.181 1104 HG22 VAL 133 1HG2 VAL 133 1.881 5.175 -0.477 1105 HG23 VAL 133 2HG2 VAL 133 0.779 6.300 -1.271 1106 H GLN 134 H GLN 134 -2.862 4.473 -1.771 1107 HA GLN 134 HA GLN 134 -3.129 7.222 -1.009 1108 HB2 GLN 134 2HB GLN 134 -5.279 5.305 -1.959 1109 HB3 GLN 134 3HB GLN 134 -5.430 7.054 -1.866 1110 HG2 GLN 134 2HG GLN 134 -3.633 5.478 -3.691 1111 HG3 GLN 134 3HG GLN 134 -5.055 6.412 -4.144 1112 HE21 GLN 134 1HE2 GLN 134 -1.730 6.535 -3.208 1113 HE22 GLN 134 2HE2 GLN 134 -1.464 8.187 -3.624 1114 H GLN 135 H GLN 135 -4.446 4.180 0.242 1115 HA GLN 135 HA GLN 135 -6.104 5.159 2.261 1116 HB2 GLN 135 2HB GLN 135 -4.371 2.674 2.321 1117 HB3 GLN 135 3HB GLN 135 -5.737 2.985 3.382 1118 HG2 GLN 135 2HG GLN 135 -5.888 2.678 0.388 1119 HG3 GLN 135 3HG GLN 135 -6.275 1.427 1.565 1120 HE21 GLN 135 1HE2 GLN 135 -7.959 2.616 -0.468 1121 HE22 GLN 135 2HE2 GLN 135 -9.313 3.281 0.371 1122 H ILE 136 H ILE 136 -2.656 4.265 2.467 1123 HA ILE 136 HA ILE 136 -2.179 5.039 5.113 1124 HB ILE 136 HB ILE 136 -0.237 5.185 2.789 1125 HG12 ILE 136 2HG1 ILE 136 -0.785 2.923 4.739 1126 HG13 ILE 136 3HG1 ILE 136 -1.241 2.942 3.040 1127 HG21 ILE 136 1HG2 ILE 136 0.270 5.035 5.766 1128 HG22 ILE 136 2HG2 ILE 136 0.558 6.431 4.727 1129 HG23 ILE 136 3HG2 ILE 136 1.509 4.962 4.511 1130 HD11 ILE 136 3HD1 ILE 136 0.739 1.590 3.420 1131 HD12 ILE 136 1HD1 ILE 136 1.574 2.982 4.107 1132 HD13 ILE 136 2HD1 ILE 136 1.114 2.982 2.403 1133 H LEU 137 H LEU 137 -1.814 6.905 2.110 1134 HA LEU 137 HA LEU 137 -0.783 9.278 3.007 1135 HG LEU 137 HG LEU 137 -2.577 11.310 1.594 1136 HB2 LEU 137 2HB LEU 137 -1.222 8.776 0.654 1137 HB3 LEU 137 3HB LEU 137 -2.949 8.878 0.937 1138 HD11 LEU 137 1HD1 LEU 137 -0.189 11.207 2.014 1139 HD12 LEU 137 2HD1 LEU 137 -0.544 12.379 0.748 1140 HD13 LEU 137 3HD1 LEU 137 0.112 10.798 0.326 1141 HD21 LEU 137 3HD2 LEU 137 -3.559 10.686 -0.545 1142 HD22 LEU 137 1HD2 LEU 137 -1.954 10.484 -1.246 1143 HD23 LEU 137 2HD2 LEU 137 -2.500 12.082 -0.735 1144 H ARG 138 H ARG 138 -4.270 8.505 2.811 1145 HA ARG 138 HA ARG 138 -5.216 10.944 3.803 1146 HE ARG 138 HE ARG 138 -10.443 10.854 3.502 1147 HB2 ARG 138 2HB ARG 138 -6.589 9.162 2.663 1148 HB3 ARG 138 3HB ARG 138 -6.574 8.265 4.178 1149 HG2 ARG 138 2HG ARG 138 -7.671 10.185 5.288 1150 HG3 ARG 138 3HG ARG 138 -7.750 11.007 3.729 1151 HD2 ARG 138 2HD ARG 138 -9.070 9.053 2.868 1152 HD3 ARG 138 3HD ARG 138 -9.126 8.441 4.522 1153 HH11 ARG 138 1HH1 ARG 138 -9.922 8.639 6.100 1154 HH12 ARG 138 2HH1 ARG 138 -11.254 9.240 7.021 1155 HH21 ARG 138 1HH2 ARG 138 -12.158 11.594 4.682 1156 HH22 ARG 138 2HH2 ARG 138 -12.515 10.885 6.223 1157 H GLN 139 H GLN 139 -4.544 7.906 5.564 1158 HA GLN 139 HA GLN 139 -5.395 8.802 8.094 1159 HB2 GLN 139 2HB GLN 139 -3.292 6.720 7.457 1160 HB3 GLN 139 3HB GLN 139 -4.114 6.911 9.002 1161 HG2 GLN 139 2HG GLN 139 -6.268 6.433 7.846 1162 HG3 GLN 139 3HG GLN 139 -5.357 6.107 6.373 1163 HE21 GLN 139 1HE2 GLN 139 -6.028 3.970 6.278 1164 HE22 GLN 139 2HE2 GLN 139 -5.462 2.773 7.385 1165 H VAL 140 H VAL 140 -2.186 8.912 6.563 1166 HA VAL 140 HA VAL 140 -0.779 10.005 8.758 1167 HB VAL 140 HB VAL 140 -0.200 10.309 5.796 1168 HG11 VAL 140 1HG1 VAL 140 0.972 12.029 7.053 1169 HG12 VAL 140 2HG1 VAL 140 2.114 10.810 6.489 1170 HG13 VAL 140 3HG1 VAL 140 1.597 10.820 8.177 1171 HG21 VAL 140 3HG2 VAL 140 1.401 8.474 6.155 1172 HG22 VAL 140 1HG2 VAL 140 -0.252 7.976 6.516 1173 HG23 VAL 140 2HG2 VAL 140 0.867 8.340 7.830 1174 H SER 141 H SER 141 -2.815 11.508 6.318 1175 HA SER 141 HA SER 141 -2.160 14.185 7.323 1176 HG SER 141 HG SER 141 -4.562 12.521 5.518 1177 HB2 SER 141 2HB SER 141 -3.528 15.037 5.490 1178 HB3 SER 141 3HB SER 141 -2.374 13.856 4.874 1179 H ALA 142 H ALA 142 -4.004 11.857 8.538 1180 HA ALA 142 HA ALA 142 -6.223 13.672 9.279 1181 HB1 ALA 142 3HB ALA 142 -6.981 11.856 7.823 1182 HB2 ALA 142 1HB ALA 142 -7.694 11.738 9.433 1183 HB3 ALA 142 2HB ALA 142 -6.365 10.672 8.975 1184 H PHE 143 H PHE 143 -3.706 11.613 10.503 1185 HA PHE 143 HA PHE 143 -4.820 10.875 12.977 1186 HD1 PHE 143 HD2 PHE 143 -1.437 11.684 10.498 1187 HD2 PHE 143 HD1 PHE 143 -1.181 11.648 14.748 1188 HE1 PHE 143 HE2 PHE 143 0.588 13.076 10.386 1189 HE2 PHE 143 HE1 PHE 143 0.844 13.038 14.643 1190 HZ PHE 143 HZ PHE 143 1.733 13.754 12.457 1191 HB2 PHE 143 2HB PHE 143 -2.675 10.172 13.631 1192 HB3 PHE 143 3HB PHE 143 -2.663 10.007 11.881 1193 H THR 144 H THR 144 -3.879 13.961 11.921 1194 HA THR 144 HA THR 144 -3.074 15.101 14.411 1195 HB THR 144 HB THR 144 -2.441 16.177 12.319 1196 HG1 THR 144 HG1 THR 144 -3.692 17.474 14.366 1197 HG21 THR 144 3HG2 THR 144 -4.106 17.394 10.960 1198 HG22 THR 144 1HG2 THR 144 -5.396 16.713 11.951 1199 HG23 THR 144 2HG2 THR 144 -4.393 15.654 10.959 1200 H SER 145 H SER 145 -6.056 13.951 13.484 1201 HA SER 145 HA SER 145 -7.383 15.557 15.561 1202 HG SER 145 HG SER 145 -9.897 16.796 14.283 1203 HB2 SER 145 2HB SER 145 -8.060 16.472 13.352 1204 HB3 SER 145 3HB SER 145 -8.664 14.880 12.894 1205 H ALA 146 H ALA 146 -9.668 14.518 15.986 1206 HA ALA 146 HA ALA 146 -9.474 11.580 15.943 1207 HB1 ALA 146 3HB ALA 146 -10.011 11.410 18.304 1208 HB2 ALA 146 1HB ALA 146 -10.053 13.169 18.447 1209 HB3 ALA 146 2HB ALA 146 -8.533 12.349 18.088 1210 H GLY 147 H GLY 147 -11.616 14.101 17.330 1211 HA2 GLY 147 2HA GLY 147 -13.754 13.500 15.521 1212 HA3 GLY 147 3HA GLY 147 -14.028 12.782 17.102 1213 H LEU 148 H LEU 148 -14.700 15.434 15.253 1214 HA LEU 148 HA LEU 148 -15.509 17.006 17.568 1215 HG LEU 148 HG LEU 148 -14.199 18.779 14.496 1216 HB2 LEU 148 2HB LEU 148 -14.338 19.012 16.971 1217 HB3 LEU 148 3HB LEU 148 -13.175 17.713 17.143 1218 HD11 LEU 148 1HD1 LEU 148 -12.841 20.432 15.671 1219 HD12 LEU 148 2HD1 LEU 148 -12.008 19.808 14.250 1220 HD13 LEU 148 3HD1 LEU 148 -11.546 19.247 15.859 1221 HD21 LEU 148 3HD2 LEU 148 -13.533 16.460 14.303 1222 HD22 LEU 148 1HD2 LEU 148 -12.001 16.800 15.113 1223 HD23 LEU 148 2HD2 LEU 148 -12.334 17.490 13.523 1224 H GLU 149 H GLU 149 -16.546 15.701 14.917 1225 HA GLU 149 HA GLU 149 -17.539 17.903 13.355 1226 HB2 GLU 149 2HB GLU 149 -18.657 16.183 12.018 1227 HB3 GLU 149 3HB GLU 149 -16.977 15.759 12.323 1228 HG2 GLU 149 2HG GLU 149 -17.759 14.273 14.169 1229 HG3 GLU 149 3HG GLU 149 -19.416 14.612 13.672 1230 H HIS 150 H HIS 150 -18.488 17.428 16.302 1231 HA HIS 150 HA HIS 150 -21.108 18.473 15.925 1232 HD1 HIS 150 HD1 HIS 150 -23.876 17.514 15.502 1233 HD2 HIS 150 HD2 HIS 150 -22.696 15.832 19.116 1234 HE1 HIS 150 HE1 HIS 150 -25.896 17.610 16.982 1235 HE2 HIS 150 HE2 HIS 150 -25.204 16.450 19.100 1236 HB2 HIS 150 2HB HIS 150 -21.620 16.118 15.432 1237 HB3 HIS 150 3HB HIS 150 -20.950 15.637 16.988 1238 H HIS 151 H HIS 151 -21.712 19.633 17.667 1239 HA HIS 151 HA HIS 151 -20.672 18.962 20.329 1240 HD1 HIS 151 HD1 HIS 151 -17.857 19.910 21.189 1241 HD2 HIS 151 HD2 HIS 151 -18.418 20.946 17.204 1242 HE1 HIS 151 HE1 HIS 151 -15.672 19.427 20.054 1243 HE2 HIS 151 HE2 HIS 151 -15.975 20.267 17.705 1244 HB2 HIS 151 2HB HIS 151 -20.367 21.697 19.051 1245 HB3 HIS 151 3HB HIS 151 -20.004 21.317 20.731 1246 H HIS 152 H HIS 152 -22.454 18.799 21.572 1247 HA HIS 152 HA HIS 152 -24.945 20.050 20.965 1248 HD1 HIS 152 HD1 HIS 152 -25.659 20.394 24.914 1249 HD2 HIS 152 HD2 HIS 152 -27.517 18.002 22.067 1250 HE1 HIS 152 HE1 HIS 152 -28.109 20.512 25.431 1251 HE2 HIS 152 HE2 HIS 152 -29.197 18.959 23.778 1252 HB2 HIS 152 2HB HIS 152 -24.756 17.910 22.221 1253 HB3 HIS 152 3HB HIS 152 -24.047 18.785 23.573 1254 H HIS 153 H HIS 153 -25.885 21.910 21.766 1255 HA HIS 153 HA HIS 153 -24.373 23.475 23.755 1256 HD1 HIS 153 HD1 HIS 153 -23.130 26.019 23.744 1257 HD2 HIS 153 HD2 HIS 153 -26.539 26.900 21.530 1258 HE1 HIS 153 HE1 HIS 153 -23.701 28.397 24.299 1259 HE2 HIS 153 HE2 HIS 153 -25.634 28.964 22.799 1260 HB2 HIS 153 2HB HIS 153 -23.715 24.373 21.609 1261 HB3 HIS 153 3HB HIS 153 -25.392 24.476 21.085 1262 H HIS 154 H HIS 154 -25.548 24.741 25.128 1263 HA HIS 154 HA HIS 154 -28.307 25.423 24.637 1264 HD1 HIS 154 HD1 HIS 154 -31.043 24.305 25.631 1265 HD2 HIS 154 HD2 HIS 154 -28.730 24.953 29.022 1266 HE1 HIS 154 HE1 HIS 154 -32.623 25.188 27.367 1267 HE2 HIS 154 HE2 HIS 154 -31.162 25.768 29.329 1268 HB2 HIS 154 2HB HIS 154 -28.669 23.205 25.555 1269 HB3 HIS 154 3HB HIS 154 -27.588 23.538 26.903 1270 H HIS 155 H HIS 155 -28.989 27.180 25.869 1271 HA HIS 155 HA HIS 155 -26.880 28.544 27.388 1272 HD1 HIS 155 HD1 HIS 155 -29.895 30.891 28.613 1273 HD2 HIS 155 HD2 HIS 155 -26.489 31.920 26.466 1274 HE1 HIS 155 HE1 HIS 155 -29.152 33.101 29.548 1275 HE2 HIS 155 HE2 HIS 155 -27.135 33.739 28.192 1276 HB2 HIS 155 2HB HIS 155 -27.983 29.777 25.566 1277 HB3 HIS 155 3HB HIS 155 -29.541 29.565 26.353 Start of MODEL 15 1 HA MET 1 HA MET 1 -12.879 36.380 4.552 2 H1 MET 1 1H MET 1 -13.748 38.412 3.610 3 H2 MET 1 2H MET 1 -12.647 38.336 2.329 4 H3 MET 1 3H MET 1 -12.092 38.562 3.911 5 HB2 MET 1 2HB MET 1 -14.759 36.208 3.020 6 HB3 MET 1 3HB MET 1 -13.677 36.189 1.636 7 HG2 MET 1 2HG MET 1 -12.754 34.043 2.410 8 HG3 MET 1 3HG MET 1 -13.890 34.058 3.758 9 HE1 MET 1 3HE MET 1 -13.623 31.627 1.685 10 HE2 MET 1 1HE MET 1 -15.324 31.249 1.418 11 HE3 MET 1 2HE MET 1 -14.753 31.636 3.041 12 H GLY 2 H GLY 2 -11.154 37.408 1.641 13 HA2 GLY 2 2HA GLY 2 -8.882 37.055 1.198 14 HA3 GLY 2 3HA GLY 2 -8.841 35.829 2.456 15 H PHE 3 H PHE 3 -7.573 34.651 0.812 16 HA PHE 3 HA PHE 3 -9.352 33.156 -1.015 17 HD1 PHE 3 HD1 PHE 3 -9.629 34.117 -3.454 18 HD2 PHE 3 HD2 PHE 3 -6.278 36.169 -1.809 19 HE1 PHE 3 HE1 PHE 3 -10.351 36.189 -4.567 20 HE2 PHE 3 HE2 PHE 3 -6.998 38.242 -2.918 21 HZ PHE 3 HZ PHE 3 -9.037 38.253 -4.297 22 HB2 PHE 3 2HB PHE 3 -6.446 33.870 -1.530 23 HB3 PHE 3 3HB PHE 3 -7.485 32.933 -2.599 24 H LYS 4 H LYS 4 -9.449 31.043 -0.561 25 HA LYS 4 HA LYS 4 -8.153 29.816 1.566 26 HB2 LYS 4 2HB LYS 4 -8.965 27.681 0.637 27 HB3 LYS 4 3HB LYS 4 -10.205 28.926 0.622 28 HG2 LYS 4 2HG LYS 4 -9.756 29.300 -1.786 29 HG3 LYS 4 3HG LYS 4 -8.583 27.981 -1.746 30 HD2 LYS 4 2HD LYS 4 -10.687 27.155 -2.616 31 HD3 LYS 4 3HD LYS 4 -10.396 26.441 -1.029 32 HE2 LYS 4 2HE LYS 4 -12.708 27.095 -1.165 33 HE3 LYS 4 3HE LYS 4 -11.888 28.175 -0.039 34 HZ1 LYS 4 3HZ LYS 4 -11.703 29.793 -1.882 35 HZ2 LYS 4 1HZ LYS 4 -13.302 29.455 -1.454 36 HZ3 LYS 4 2HZ LYS 4 -12.637 28.769 -2.846 37 H LEU 5 H LEU 5 -6.348 28.555 1.830 38 HA LEU 5 HA LEU 5 -4.263 28.936 -0.168 39 HG LEU 5 HG LEU 5 -2.764 29.845 3.151 40 HB2 LEU 5 2HB LEU 5 -4.145 27.830 2.647 41 HB3 LEU 5 3HB LEU 5 -2.752 28.031 1.606 42 HD11 LEU 5 1HD1 LEU 5 -2.905 31.796 1.691 43 HD12 LEU 5 2HD1 LEU 5 -3.770 30.839 0.489 44 HD13 LEU 5 3HD1 LEU 5 -2.099 30.444 0.897 45 HD21 LEU 5 3HD2 LEU 5 -5.102 29.755 3.842 46 HD22 LEU 5 1HD2 LEU 5 -5.599 30.445 2.295 47 HD23 LEU 5 2HD2 LEU 5 -4.625 31.398 3.416 48 H ARG 6 H ARG 6 -5.779 26.218 1.553 49 HA ARG 6 HA ARG 6 -4.180 24.191 0.404 50 HE ARG 6 HE ARG 6 -8.251 22.481 1.240 51 HB2 ARG 6 2HB ARG 6 -5.570 24.028 2.507 52 HB3 ARG 6 3HB ARG 6 -6.992 23.891 1.487 53 HG2 ARG 6 2HG ARG 6 -4.691 21.962 1.263 54 HG3 ARG 6 3HG ARG 6 -5.978 21.747 2.447 55 HD2 ARG 6 2HD ARG 6 -6.260 21.814 -0.560 56 HD3 ARG 6 3HD ARG 6 -6.466 20.417 0.497 57 HH11 ARG 6 1HH1 ARG 6 -7.772 20.100 -1.207 58 HH12 ARG 6 2HH1 ARG 6 -9.455 20.011 -1.588 59 HH21 ARG 6 1HH2 ARG 6 -10.388 22.372 0.732 60 HH22 ARG 6 2HH2 ARG 6 -10.926 21.274 -0.493 61 H GLY 7 H GLY 7 -4.056 24.179 -1.801 62 HA2 GLY 7 2HA GLY 7 -6.570 23.889 -3.325 63 HA3 GLY 7 3HA GLY 7 -5.006 24.303 -4.006 64 H GLN 8 H GLN 8 -4.209 21.949 -1.954 65 HA GLN 8 HA GLN 8 -3.930 19.995 -4.053 66 HB2 GLN 8 2HB GLN 8 -3.158 19.858 -1.128 67 HB3 GLN 8 3HB GLN 8 -2.677 18.701 -2.360 68 HG2 GLN 8 2HG GLN 8 -1.904 21.614 -2.255 69 HG3 GLN 8 3HG GLN 8 -0.870 20.242 -1.857 70 HE21 GLN 8 1HE2 GLN 8 -0.154 18.891 -3.537 71 HE22 GLN 8 2HE2 GLN 8 -0.153 19.419 -5.180 72 H VAL 9 H VAL 9 -4.309 17.612 -3.449 73 HA VAL 9 HA VAL 9 -7.047 17.102 -2.957 74 HB VAL 9 HB VAL 9 -5.620 15.607 -4.291 75 HG11 VAL 9 1HG1 VAL 9 -3.574 15.715 -2.975 76 HG12 VAL 9 2HG1 VAL 9 -4.077 14.039 -3.193 77 HG13 VAL 9 3HG1 VAL 9 -4.356 14.848 -1.651 78 HG21 VAL 9 3HG2 VAL 9 -6.495 13.479 -3.466 79 HG22 VAL 9 1HG2 VAL 9 -7.714 14.748 -3.351 80 HG23 VAL 9 2HG2 VAL 9 -6.854 14.218 -1.904 81 H SER 10 H SER 10 -4.272 17.223 -0.839 82 HA SER 10 HA SER 10 -6.046 17.040 1.480 83 HG SER 10 HG SER 10 -4.013 14.735 3.325 84 HB2 SER 10 2HB SER 10 -5.099 14.746 1.140 85 HB3 SER 10 3HB SER 10 -3.482 15.425 1.311 86 H GLU 11 H GLU 11 -4.392 17.358 3.536 87 HA GLU 11 HA GLU 11 -2.323 19.305 2.928 88 HB2 GLU 11 2HB GLU 11 -3.271 21.078 4.319 89 HB3 GLU 11 3HB GLU 11 -4.344 20.695 2.981 90 HG2 GLU 11 2HG GLU 11 -5.727 19.334 4.517 91 HG3 GLU 11 3HG GLU 11 -4.677 19.819 5.848 92 H LEU 12 H LEU 12 -0.894 19.693 4.649 93 HA LEU 12 HA LEU 12 -1.348 18.379 7.198 94 HG LEU 12 HG LEU 12 -0.033 17.240 4.070 95 HB2 LEU 12 2HB LEU 12 1.109 17.388 6.871 96 HB3 LEU 12 3HB LEU 12 -0.338 16.502 6.439 97 HD11 LEU 12 1HD1 LEU 12 2.631 18.267 5.042 98 HD12 LEU 12 2HD1 LEU 12 1.296 19.241 4.426 99 HD13 LEU 12 3HD1 LEU 12 2.129 18.113 3.356 100 HD21 LEU 12 3HD2 LEU 12 1.800 15.695 3.582 101 HD22 LEU 12 1HD2 LEU 12 0.698 15.043 4.795 102 HD23 LEU 12 2HD2 LEU 12 2.260 15.702 5.285 103 HA PRO 13 HA PRO 13 0.777 21.979 8.679 104 HB2 PRO 13 2HB PRO 13 1.528 20.316 11.019 105 HB3 PRO 13 3HB PRO 13 0.590 21.812 10.956 106 HG2 PRO 13 2HG PRO 13 -0.595 19.466 11.442 107 HG3 PRO 13 3HG PRO 13 -1.387 20.707 10.452 108 HD2 PRO 13 2HD PRO 13 0.059 18.226 9.579 109 HD3 PRO 13 3HD PRO 13 -1.463 18.914 8.970 110 H PHE 14 H PHE 14 2.425 18.846 8.938 111 HA PHE 14 HA PHE 14 5.037 20.104 9.076 112 HD1 PHE 14 HD2 PHE 14 4.496 16.216 7.389 113 HD2 PHE 14 HD1 PHE 14 2.935 17.285 11.206 114 HE1 PHE 14 HE2 PHE 14 2.848 14.398 7.222 115 HE2 PHE 14 HE1 PHE 14 1.289 15.463 11.044 116 HZ PHE 14 HZ PHE 14 1.244 14.022 9.050 117 HB2 PHE 14 2HB PHE 14 5.792 17.623 9.048 118 HB3 PHE 14 3HB PHE 14 4.961 18.240 10.467 119 H GLU 15 H GLU 15 6.092 20.737 7.319 120 HA GLU 15 HA GLU 15 5.481 19.529 4.716 121 HB2 GLU 15 2HB GLU 15 6.597 21.444 3.743 122 HB3 GLU 15 3HB GLU 15 5.435 21.997 4.941 123 HG2 GLU 15 2HG GLU 15 7.169 22.473 6.518 124 HG3 GLU 15 3HG GLU 15 8.379 21.688 5.504 125 H ARG 16 H ARG 16 7.254 18.299 6.873 126 HA ARG 16 HA ARG 16 9.400 17.444 5.151 127 HE ARG 16 HE ARG 16 10.180 22.375 8.873 128 HB2 ARG 16 2HB ARG 16 11.143 18.083 6.968 129 HB3 ARG 16 3HB ARG 16 10.586 19.330 5.858 130 HG2 ARG 16 2HG ARG 16 8.991 20.106 7.580 131 HG3 ARG 16 3HG ARG 16 9.644 18.903 8.694 132 HD2 ARG 16 2HD ARG 16 11.782 19.976 8.713 133 HD3 ARG 16 3HD ARG 16 11.322 21.044 7.386 134 HH11 ARG 16 1HH1 ARG 16 11.166 19.483 10.469 135 HH12 ARG 16 2HH1 ARG 16 10.654 20.041 12.026 136 HH21 ARG 16 1HH2 ARG 16 9.565 23.094 10.862 137 HH22 ARG 16 2HH2 ARG 16 9.783 22.084 12.248 138 H VAL 17 H VAL 17 9.346 15.306 5.421 139 HA VAL 17 HA VAL 17 9.155 14.190 8.149 140 HB VAL 17 HB VAL 17 7.667 12.383 7.311 141 HG11 VAL 17 1HG1 VAL 17 6.571 15.185 7.010 142 HG12 VAL 17 2HG1 VAL 17 6.709 14.269 8.513 143 HG13 VAL 17 3HG1 VAL 17 5.605 13.728 7.248 144 HG21 VAL 17 3HG2 VAL 17 8.211 12.504 4.930 145 HG22 VAL 17 1HG2 VAL 17 7.465 14.101 4.826 146 HG23 VAL 17 2HG2 VAL 17 6.475 12.684 5.179 147 H TYR 18 H TYR 18 9.943 12.017 8.379 148 HA TYR 18 HA TYR 18 11.943 11.253 6.336 149 HD1 TYR 18 HD1 TYR 18 14.447 10.682 6.576 150 HD2 TYR 18 HD2 TYR 18 12.751 8.685 9.934 151 HE1 TYR 18 HE1 TYR 18 16.144 8.914 6.381 152 HE2 TYR 18 HE2 TYR 18 14.443 6.914 9.741 153 HH TYR 18 HH TYR 18 17.198 7.217 7.710 154 HB2 TYR 18 2HB TYR 18 12.968 11.859 8.460 155 HB3 TYR 18 3HB TYR 18 11.904 10.764 9.330 156 H ILE 19 H ILE 19 11.956 9.167 5.553 157 HA ILE 19 HA ILE 19 9.879 7.327 6.574 158 HB ILE 19 HB ILE 19 9.093 8.341 4.489 159 HG12 ILE 19 2HG1 ILE 19 9.925 5.441 4.122 160 HG13 ILE 19 3HG1 ILE 19 8.475 6.000 4.949 161 HG21 ILE 19 1HG2 ILE 19 11.590 7.198 3.233 162 HG22 ILE 19 2HG2 ILE 19 11.257 8.908 3.511 163 HG23 ILE 19 3HG2 ILE 19 10.270 7.990 2.376 164 HD11 ILE 19 3HD1 ILE 19 7.966 5.198 2.720 165 HD12 ILE 19 1HD1 ILE 19 9.091 6.363 2.022 166 HD13 ILE 19 2HD1 ILE 19 7.638 6.926 2.851 167 H THR 20 H THR 20 10.381 5.151 6.615 168 HA THR 20 HA THR 20 12.960 4.272 5.533 169 HB THR 20 HB THR 20 13.605 4.884 7.764 170 HG1 THR 20 HG1 THR 20 14.045 2.674 8.618 171 HG21 THR 20 3HG2 THR 20 12.521 3.895 9.757 172 HG22 THR 20 1HG2 THR 20 11.283 3.198 8.715 173 HG23 THR 20 2HG2 THR 20 11.434 4.951 8.854 174 H ALA 21 H ALA 21 13.239 1.928 5.594 175 HA ALA 21 HA ALA 21 10.877 0.275 5.952 176 HB1 ALA 21 3HB ALA 21 12.124 0.570 3.211 177 HB2 ALA 21 1HB ALA 21 10.549 1.200 3.695 178 HB3 ALA 21 2HB ALA 21 10.825 -0.540 3.651 179 HA PRO 22 HA PRO 22 13.932 -2.454 7.576 180 HB2 PRO 22 2HB PRO 22 12.735 -4.857 6.658 181 HB3 PRO 22 3HB PRO 22 12.490 -4.074 8.219 182 HG2 PRO 22 2HG PRO 22 10.840 -3.918 5.740 183 HG3 PRO 22 3HG PRO 22 10.326 -3.909 7.440 184 HD2 PRO 22 2HD PRO 22 10.319 -1.659 6.017 185 HD3 PRO 22 3HD PRO 22 10.861 -1.645 7.710 186 H ALA 23 H ALA 23 12.894 -3.168 4.241 187 HA ALA 23 HA ALA 23 15.706 -3.804 3.580 188 HB1 ALA 23 3HB ALA 23 14.403 -5.875 3.680 189 HB2 ALA 23 1HB ALA 23 14.930 -5.536 2.031 190 HB3 ALA 23 2HB ALA 23 13.261 -5.221 2.507 191 H GLY 24 H GLY 24 13.975 -1.332 3.277 192 HA2 GLY 24 2HA GLY 24 13.451 0.274 1.710 193 HA3 GLY 24 3HA GLY 24 14.802 -0.379 0.798 194 H LEU 25 H LEU 25 11.407 -1.191 1.547 195 HA LEU 25 HA LEU 25 11.141 -2.889 -0.739 196 HG LEU 25 HG LEU 25 10.425 -4.424 1.172 197 HB2 LEU 25 2HB LEU 25 9.021 -1.750 1.091 198 HB3 LEU 25 3HB LEU 25 8.743 -2.984 -0.119 199 HD11 LEU 25 1HD1 LEU 25 9.917 -2.303 3.254 200 HD12 LEU 25 2HD1 LEU 25 11.469 -2.719 2.521 201 HD13 LEU 25 3HD1 LEU 25 10.652 -3.877 3.568 202 HD21 LEU 25 3HD2 LEU 25 7.816 -3.661 2.492 203 HD22 LEU 25 1HD2 LEU 25 8.731 -5.141 2.792 204 HD23 LEU 25 2HD2 LEU 25 8.025 -4.847 1.203 205 H THR 26 H THR 26 9.816 -2.605 -2.574 206 HA THR 26 HA THR 26 9.891 -0.183 -3.930 207 HB THR 26 HB THR 26 8.119 -1.097 -5.427 208 HG1 THR 26 HG1 THR 26 7.199 -3.102 -4.948 209 HG21 THR 26 3HG2 THR 26 10.436 -1.739 -5.815 210 HG22 THR 26 1HG2 THR 26 9.366 -3.098 -6.163 211 HG23 THR 26 2HG2 THR 26 10.286 -3.062 -4.658 212 H ILE 27 H ILE 27 7.335 -1.452 -1.829 213 HA ILE 27 HA ILE 27 5.358 0.467 -2.272 214 HB ILE 27 HB ILE 27 4.941 -1.556 -0.958 215 HG12 ILE 27 2HG1 ILE 27 4.443 0.970 0.655 216 HG13 ILE 27 3HG1 ILE 27 3.435 0.385 -0.664 217 HG21 ILE 27 1HG2 ILE 27 7.056 -1.707 0.246 218 HG22 ILE 27 2HG2 ILE 27 5.704 -1.748 1.375 219 HG23 ILE 27 3HG2 ILE 27 6.647 -0.270 1.182 220 HD11 ILE 27 3HD1 ILE 27 2.446 -0.126 1.486 221 HD12 ILE 27 1HD1 ILE 27 3.896 -1.008 1.967 222 HD13 ILE 27 2HD1 ILE 27 2.896 -1.610 0.645 223 H GLY 28 H GLY 28 8.208 0.613 -0.171 224 HA2 GLY 28 2HA GLY 28 7.507 3.023 1.178 225 HA3 GLY 28 3HA GLY 28 9.116 2.326 1.077 226 H SER 29 H SER 29 9.728 2.405 -1.545 227 HA SER 29 HA SER 29 10.401 5.101 -2.029 228 HG SER 29 HG SER 29 11.943 5.140 -4.051 229 HB2 SER 29 2HB SER 29 11.694 3.206 -2.943 230 HB3 SER 29 3HB SER 29 10.345 2.795 -4.001 231 H ASP 30 H ASP 30 7.719 3.119 -3.168 232 HA ASP 30 HA ASP 30 6.646 4.895 -5.077 233 HB2 ASP 30 2HB ASP 30 6.004 2.459 -4.654 234 HB3 ASP 30 3HB ASP 30 5.046 3.040 -3.296 235 H LEU 31 H LEU 31 5.968 4.482 -1.608 236 HA LEU 31 HA LEU 31 4.058 6.472 -1.269 237 HG LEU 31 HG LEU 31 5.027 7.590 1.530 238 HB2 LEU 31 2HB LEU 31 4.635 4.792 0.434 239 HB3 LEU 31 3HB LEU 31 6.184 5.573 0.687 240 HD11 LEU 31 1HD1 LEU 31 2.631 7.513 2.025 241 HD12 LEU 31 2HD1 LEU 31 2.511 5.947 1.223 242 HD13 LEU 31 3HD1 LEU 31 2.935 7.385 0.294 243 HD21 LEU 31 3HD2 LEU 31 5.766 5.895 3.113 244 HD22 LEU 31 1HD2 LEU 31 4.240 5.027 2.924 245 HD23 LEU 31 2HD2 LEU 31 4.259 6.633 3.655 246 H GLU 32 H GLU 32 7.616 6.753 -1.027 247 HA GLU 32 HA GLU 32 7.872 9.418 -0.315 248 HB2 GLU 32 2HB GLU 32 9.558 7.876 -2.303 249 HB3 GLU 32 3HB GLU 32 10.017 9.413 -1.584 250 HG2 GLU 32 2HG GLU 32 9.917 8.319 0.649 251 HG3 GLU 32 3HG GLU 32 9.638 6.781 -0.167 252 H ARG 33 H ARG 33 7.531 8.090 -3.584 253 HA ARG 33 HA ARG 33 7.642 10.552 -4.966 254 HE ARG 33 HE ARG 33 10.506 7.210 -7.819 255 HB2 ARG 33 2HB ARG 33 6.346 7.938 -5.791 256 HB3 ARG 33 3HB ARG 33 6.733 9.271 -6.876 257 HG2 ARG 33 2HG ARG 33 9.103 8.990 -6.435 258 HG3 ARG 33 3HG ARG 33 8.755 7.719 -5.261 259 HD2 ARG 33 2HD ARG 33 7.790 6.339 -7.050 260 HD3 ARG 33 3HD ARG 33 8.149 7.610 -8.222 261 HH11 ARG 33 1HH1 ARG 33 8.338 4.786 -6.672 262 HH12 ARG 33 2HH1 ARG 33 9.580 3.592 -6.536 263 HH21 ARG 33 1HH2 ARG 33 12.066 5.659 -7.690 264 HH22 ARG 33 2HH2 ARG 33 11.666 4.070 -7.128 265 H VAL 34 H VAL 34 4.868 8.624 -3.827 266 HA VAL 34 HA VAL 34 2.848 10.275 -4.891 267 HB VAL 34 HB VAL 34 2.754 8.461 -2.468 268 HG11 VAL 34 1HG1 VAL 34 0.313 8.473 -2.752 269 HG12 VAL 34 2HG1 VAL 34 0.466 9.670 -4.038 270 HG13 VAL 34 3HG1 VAL 34 0.923 10.088 -2.387 271 HG21 VAL 34 3HG2 VAL 34 1.932 7.997 -5.345 272 HG22 VAL 34 1HG2 VAL 34 1.728 6.851 -4.017 273 HG23 VAL 34 2HG2 VAL 34 3.346 7.310 -4.545 274 H ILE 35 H ILE 35 4.361 10.319 -1.652 275 HA ILE 35 HA ILE 35 2.872 12.459 -0.583 276 HB ILE 35 HB ILE 35 5.726 11.637 0.025 277 HG12 ILE 35 2HG1 ILE 35 3.122 10.959 1.433 278 HG13 ILE 35 3HG1 ILE 35 4.059 9.859 0.428 279 HG21 ILE 35 1HG2 ILE 35 3.862 13.414 1.608 280 HG22 ILE 35 2HG2 ILE 35 5.319 13.927 0.757 281 HG23 ILE 35 3HG2 ILE 35 5.443 12.848 2.145 282 HD11 ILE 35 3HD1 ILE 35 5.005 11.096 3.005 283 HD12 ILE 35 1HD1 ILE 35 5.897 9.944 2.010 284 HD13 ILE 35 2HD1 ILE 35 4.403 9.451 2.808 285 H SER 36 H SER 36 6.073 12.502 -2.175 286 HA SER 36 HA SER 36 6.487 15.281 -1.970 287 HG SER 36 HG SER 36 7.856 15.904 -4.011 288 HB2 SER 36 2HB SER 36 8.339 13.763 -2.370 289 HB3 SER 36 3HB SER 36 7.659 13.286 -3.924 290 H THR 37 H THR 37 4.535 13.510 -4.222 291 HA THR 37 HA THR 37 4.519 15.736 -6.144 292 HB THR 37 HB THR 37 3.238 14.203 -7.625 293 HG1 THR 37 HG1 THR 37 3.823 11.925 -6.240 294 HG21 THR 37 3HG2 THR 37 5.673 14.300 -7.822 295 HG22 THR 37 1HG2 THR 37 5.097 12.657 -8.111 296 HG23 THR 37 2HG2 THR 37 5.839 13.074 -6.566 297 H HIS 38 H HIS 38 2.410 14.173 -3.808 298 HA HIS 38 HA HIS 38 0.097 15.675 -4.834 299 HD1 HIS 38 HD1 HIS 38 -2.374 13.547 -5.453 300 HD2 HIS 38 HD2 HIS 38 1.374 11.821 -4.974 301 HE1 HIS 38 HE1 HIS 38 -2.217 11.769 -7.219 302 HE2 HIS 38 HE2 HIS 38 0.106 10.835 -6.994 303 HB2 HIS 38 2HB HIS 38 0.245 13.401 -2.847 304 HB3 HIS 38 3HB HIS 38 -1.242 14.236 -3.287 305 H THR 39 H THR 39 2.168 15.480 -1.991 306 HA THR 39 HA THR 39 0.563 17.641 -0.748 307 HB THR 39 HB THR 39 1.346 16.912 1.458 308 HG1 THR 39 HG1 THR 39 2.887 15.174 -0.074 309 HG21 THR 39 3HG2 THR 39 0.080 14.644 -0.088 310 HG22 THR 39 1HG2 THR 39 -0.779 16.022 0.604 311 HG23 THR 39 2HG2 THR 39 0.033 14.868 1.662 312 H ARG 40 H ARG 40 2.002 18.810 1.006 313 HA ARG 40 HA ARG 40 4.350 19.824 -0.415 314 HE ARG 40 HE ARG 40 5.596 24.379 0.348 315 HB2 ARG 40 2HB ARG 40 2.581 21.378 0.417 316 HB3 ARG 40 3HB ARG 40 2.967 20.896 2.061 317 HG2 ARG 40 2HG ARG 40 3.964 23.051 1.490 318 HG3 ARG 40 3HG ARG 40 5.200 21.845 1.843 319 HD2 ARG 40 2HD ARG 40 5.696 21.570 -0.485 320 HD3 ARG 40 3HD ARG 40 4.305 22.550 -0.956 321 HH11 ARG 40 1HH1 ARG 40 7.061 21.914 -1.554 322 HH12 ARG 40 2HH1 ARG 40 8.415 22.890 -1.984 323 HH21 ARG 40 1HH2 ARG 40 7.317 25.640 -0.229 324 HH22 ARG 40 2HH2 ARG 40 8.551 24.991 -1.253 325 H ALA 41 H ALA 41 3.878 17.373 1.666 326 HA ALA 41 HA ALA 41 5.875 17.860 3.658 327 HB1 ALA 41 3HB ALA 41 4.626 15.254 2.789 328 HB2 ALA 41 1HB ALA 41 4.029 16.315 4.063 329 HB3 ALA 41 2HB ALA 41 5.585 15.506 4.248 330 H LYS 42 H LYS 42 7.853 18.317 2.817 331 HA LYS 42 HA LYS 42 9.052 16.991 0.621 332 HB2 LYS 42 2HB LYS 42 9.585 19.306 1.720 333 HB3 LYS 42 3HB LYS 42 10.639 18.375 2.775 334 HG2 LYS 42 2HG LYS 42 11.958 19.252 0.993 335 HG3 LYS 42 3HG LYS 42 11.799 17.511 0.737 336 HD2 LYS 42 2HD LYS 42 10.086 17.871 -0.937 337 HD3 LYS 42 3HD LYS 42 10.080 19.605 -0.612 338 HE2 LYS 42 2HE LYS 42 11.320 19.155 -2.639 339 HE3 LYS 42 3HE LYS 42 12.420 19.728 -1.387 340 HZ1 LYS 42 3HZ LYS 42 12.032 16.902 -2.216 341 HZ2 LYS 42 1HZ LYS 42 13.052 17.420 -0.969 342 HZ3 LYS 42 2HZ LYS 42 13.375 17.874 -2.562 343 H VAL 43 H VAL 43 9.682 14.918 0.618 344 HA VAL 43 HA VAL 43 10.151 13.413 3.003 345 HB VAL 43 HB VAL 43 10.760 12.650 0.133 346 HG11 VAL 43 1HG1 VAL 43 10.615 10.327 0.981 347 HG12 VAL 43 2HG1 VAL 43 10.477 10.957 2.623 348 HG13 VAL 43 3HG1 VAL 43 11.952 11.229 1.696 349 HG21 VAL 43 3HG2 VAL 43 8.598 11.497 0.169 350 HG22 VAL 43 1HG2 VAL 43 8.399 13.229 0.440 351 HG23 VAL 43 2HG2 VAL 43 8.292 12.106 1.797 352 H VAL 44 H VAL 44 11.912 13.872 4.198 353 HA VAL 44 HA VAL 44 14.494 14.377 2.911 354 HB VAL 44 HB VAL 44 15.330 14.904 5.158 355 HG11 VAL 44 1HG1 VAL 44 14.010 16.932 5.557 356 HG12 VAL 44 2HG1 VAL 44 12.719 16.296 4.536 357 HG13 VAL 44 3HG1 VAL 44 14.290 16.682 3.833 358 HG21 VAL 44 3HG2 VAL 44 14.003 13.340 6.473 359 HG22 VAL 44 1HG2 VAL 44 12.536 14.251 6.107 360 HG23 VAL 44 2HG2 VAL 44 13.807 14.982 7.086 361 H ASN 45 H ASN 45 16.350 13.114 3.267 362 HA ASN 45 HA ASN 45 15.764 10.304 3.805 363 HB2 ASN 45 2HB ASN 45 16.994 11.093 1.738 364 HB3 ASN 45 3HB ASN 45 18.352 11.493 2.782 365 HD21 ASN 45 1HD2 ASN 45 16.326 8.881 1.618 366 HD22 ASN 45 2HD2 ASN 45 17.474 7.622 1.903 367 H LYS 46 H LYS 46 16.435 12.701 5.794 368 HA LYS 46 HA LYS 46 17.613 10.902 7.739 369 HB2 LYS 46 2HB LYS 46 19.349 12.454 8.485 370 HB3 LYS 46 3HB LYS 46 19.609 11.968 6.820 371 HG2 LYS 46 2HG LYS 46 18.294 14.569 7.571 372 HG3 LYS 46 3HG LYS 46 20.036 14.393 7.378 373 HD2 LYS 46 2HD LYS 46 19.651 13.612 5.048 374 HD3 LYS 46 3HD LYS 46 17.927 13.923 5.262 375 HE2 LYS 46 2HE LYS 46 19.009 15.775 4.094 376 HE3 LYS 46 3HE LYS 46 18.403 16.294 5.666 377 HZ1 LYS 46 3HZ LYS 46 20.620 16.162 6.559 378 HZ2 LYS 46 1HZ LYS 46 20.643 17.139 5.178 379 HZ3 LYS 46 2HZ LYS 46 21.222 15.554 5.101 380 H ALA 47 H ALA 47 16.900 11.250 9.791 381 HA ALA 47 HA ALA 47 14.495 12.804 10.004 382 HB1 ALA 47 3HB ALA 47 15.878 11.132 12.101 383 HB2 ALA 47 1HB ALA 47 14.706 10.537 10.924 384 HB3 ALA 47 2HB ALA 47 14.211 11.708 12.146 385 H GLU 48 H GLU 48 17.265 14.219 10.033 386 HA GLU 48 HA GLU 48 17.570 15.347 12.628 387 HB2 GLU 48 2HB GLU 48 19.139 16.897 11.589 388 HB3 GLU 48 3HB GLU 48 19.416 15.261 11.003 389 HG2 GLU 48 2HG GLU 48 18.332 15.757 8.921 390 HG3 GLU 48 3HG GLU 48 17.826 17.338 9.508 391 H LYS 49 H LYS 49 15.452 16.105 10.004 392 HA LYS 49 HA LYS 49 14.535 18.528 11.429 393 HB2 LYS 49 2HB LYS 49 14.784 18.261 8.421 394 HB3 LYS 49 3HB LYS 49 14.134 19.649 9.283 395 HG2 LYS 49 2HG LYS 49 16.312 20.089 10.270 396 HG3 LYS 49 3HG LYS 49 16.975 18.654 9.486 397 HD2 LYS 49 2HD LYS 49 17.594 20.599 8.208 398 HD3 LYS 49 3HD LYS 49 16.429 19.656 7.279 399 HE2 LYS 49 2HE LYS 49 15.882 21.995 7.098 400 HE3 LYS 49 3HE LYS 49 14.638 21.188 8.052 401 HZ1 LYS 49 3HZ LYS 49 16.892 22.783 9.148 402 HZ2 LYS 49 1HZ LYS 49 15.683 22.025 10.058 403 HZ3 LYS 49 2HZ LYS 49 15.285 23.302 9.025 404 H SER 50 H SER 50 13.574 15.596 10.989 405 HA SER 50 HA SER 50 11.107 15.982 9.480 406 HG SER 50 HG SER 50 11.964 13.601 11.924 407 HB2 SER 50 2HB SER 50 10.789 13.556 9.810 408 HB3 SER 50 3HB SER 50 12.377 13.922 9.137 409 H GLU 51 H GLU 51 9.254 16.596 10.393 410 HA GLU 51 HA GLU 51 8.842 16.706 13.221 411 HB2 GLU 51 2HB GLU 51 6.888 17.004 10.925 412 HB3 GLU 51 3HB GLU 51 6.502 17.339 12.607 413 HG2 GLU 51 2HG GLU 51 8.642 18.763 11.029 414 HG3 GLU 51 3HG GLU 51 6.998 19.355 11.250 415 H ALA 52 H ALA 52 8.462 14.215 10.921 416 HA ALA 52 HA ALA 52 7.424 12.402 12.913 417 HB1 ALA 52 3HB ALA 52 5.348 13.376 12.061 418 HB2 ALA 52 1HB ALA 52 5.478 11.676 11.613 419 HB3 ALA 52 2HB ALA 52 5.803 12.931 10.416 420 H ILE 53 H ILE 53 7.637 10.198 12.323 421 HA ILE 53 HA ILE 53 9.268 9.683 9.917 422 HB ILE 53 HB ILE 53 9.430 8.378 12.639 423 HG12 ILE 53 2HG1 ILE 53 11.445 9.907 10.969 424 HG13 ILE 53 3HG1 ILE 53 10.684 10.458 12.457 425 HG21 ILE 53 1HG2 ILE 53 10.799 7.514 10.087 426 HG22 ILE 53 2HG2 ILE 53 9.553 6.622 10.961 427 HG23 ILE 53 3HG2 ILE 53 11.135 6.876 11.697 428 HD11 ILE 53 3HD1 ILE 53 11.820 8.669 13.687 429 HD12 ILE 53 1HD1 ILE 53 12.952 9.745 12.868 430 HD13 ILE 53 2HD1 ILE 53 12.603 8.155 12.191 431 H ILE 54 H ILE 54 8.289 8.458 8.455 432 HA ILE 54 HA ILE 54 6.026 6.751 9.197 433 HB ILE 54 HB ILE 54 7.122 7.408 6.447 434 HG12 ILE 54 2HG1 ILE 54 4.709 8.551 7.892 435 HG13 ILE 54 3HG1 ILE 54 6.233 9.394 7.648 436 HG21 ILE 54 1HG2 ILE 54 4.525 6.088 7.259 437 HG22 ILE 54 2HG2 ILE 54 5.901 5.292 6.494 438 HG23 ILE 54 3HG2 ILE 54 4.993 6.519 5.614 439 HD11 ILE 54 3HD1 ILE 54 4.344 8.489 5.487 440 HD12 ILE 54 1HD1 ILE 54 5.880 9.318 5.228 441 HD13 ILE 54 2HD1 ILE 54 4.564 10.139 6.067 442 H GLN 55 H GLN 55 6.530 4.730 9.832 443 HA GLN 55 HA GLN 55 8.787 3.354 8.504 444 HB2 GLN 55 2HB GLN 55 8.883 3.873 11.039 445 HB3 GLN 55 3HB GLN 55 7.680 2.605 11.214 446 HG2 GLN 55 2HG GLN 55 10.355 2.176 9.897 447 HG3 GLN 55 3HG GLN 55 10.074 1.933 11.615 448 HE21 GLN 55 1HE2 GLN 55 7.441 0.805 11.314 449 HE22 GLN 55 2HE2 GLN 55 7.651 -0.764 10.631 450 H ILE 56 H ILE 56 7.969 2.081 6.954 451 HA ILE 56 HA ILE 56 5.434 0.701 7.329 452 HB ILE 56 HB ILE 56 5.963 1.712 5.143 453 HG12 ILE 56 2HG1 ILE 56 4.486 -0.386 5.401 454 HG13 ILE 56 3HG1 ILE 56 5.042 0.027 3.787 455 HG21 ILE 56 1HG2 ILE 56 7.615 0.689 3.642 456 HG22 ILE 56 2HG2 ILE 56 8.153 -0.349 4.962 457 HG23 ILE 56 3HG2 ILE 56 8.353 1.399 5.077 458 HD11 ILE 56 3HD1 ILE 56 6.779 -1.696 3.959 459 HD12 ILE 56 1HD1 ILE 56 5.157 -2.357 4.158 460 HD13 ILE 56 2HD1 ILE 56 6.188 -2.116 5.566 461 H VAL 57 H VAL 57 5.313 -1.198 8.322 462 HA VAL 57 HA VAL 57 7.642 -2.614 9.159 463 HB VAL 57 HB VAL 57 4.743 -3.466 9.348 464 HG11 VAL 57 1HG1 VAL 57 5.520 -4.899 11.205 465 HG12 VAL 57 2HG1 VAL 57 7.184 -4.443 10.842 466 HG13 VAL 57 3HG1 VAL 57 6.244 -5.353 9.660 467 HG21 VAL 57 3HG2 VAL 57 5.113 -1.310 10.429 468 HG22 VAL 57 1HG2 VAL 57 6.464 -1.984 11.343 469 HG23 VAL 57 2HG2 VAL 57 4.825 -2.567 11.632 470 H HIS 58 H HIS 58 4.859 -3.802 7.222 471 HA HIS 58 HA HIS 58 6.577 -5.249 5.425 472 HD1 HIS 58 HD1 HIS 58 8.186 -8.128 6.373 473 HD2 HIS 58 HD2 HIS 58 4.329 -8.462 4.856 474 HE1 HIS 58 HE1 HIS 58 8.251 -10.063 4.777 475 HE2 HIS 58 HE2 HIS 58 5.885 -10.329 3.972 476 HB2 HIS 58 2HB HIS 58 6.563 -6.635 7.555 477 HB3 HIS 58 3HB HIS 58 4.851 -6.915 7.273 478 H ALA 59 H ALA 59 5.543 -5.696 3.528 479 HA ALA 59 HA ALA 59 2.640 -5.197 3.399 480 HB1 ALA 59 3HB ALA 59 4.009 -3.787 1.957 481 HB2 ALA 59 1HB ALA 59 2.996 -4.859 0.992 482 HB3 ALA 59 2HB ALA 59 4.711 -5.216 1.197 483 H ILE 60 H ILE 60 1.470 -7.034 3.580 484 HA ILE 60 HA ILE 60 2.523 -9.584 2.621 485 HB ILE 60 HB ILE 60 -0.090 -8.950 4.022 486 HG12 ILE 60 2HG1 ILE 60 1.034 -10.266 5.915 487 HG13 ILE 60 3HG1 ILE 60 2.538 -10.084 5.020 488 HG21 ILE 60 1HG2 ILE 60 1.104 -11.637 3.329 489 HG22 ILE 60 2HG2 ILE 60 -0.330 -10.912 2.604 490 HG23 ILE 60 3HG2 ILE 60 -0.342 -11.374 4.305 491 HD11 ILE 60 3HD1 ILE 60 2.356 -7.660 5.213 492 HD12 ILE 60 1HD1 ILE 60 2.336 -8.439 6.794 493 HD13 ILE 60 2HD1 ILE 60 0.835 -7.841 6.087 494 H ARG 61 H ARG 61 2.259 -10.112 0.536 495 HA ARG 61 HA ARG 61 -0.268 -9.421 -0.831 496 HE ARG 61 HE ARG 61 3.117 -9.479 -4.329 497 HB2 ARG 61 2HB ARG 61 1.492 -7.797 -1.454 498 HB3 ARG 61 3HB ARG 61 2.518 -9.120 -1.990 499 HG2 ARG 61 2HG ARG 61 0.761 -9.690 -3.684 500 HG3 ARG 61 3HG ARG 61 -0.090 -8.219 -3.207 501 HD2 ARG 61 2HD ARG 61 1.261 -7.798 -5.182 502 HD3 ARG 61 3HD ARG 61 1.898 -6.892 -3.807 503 HH11 ARG 61 1HH1 ARG 61 3.341 -6.057 -4.680 504 HH12 ARG 61 2HH1 ARG 61 5.026 -6.097 -5.054 505 HH21 ARG 61 1HH2 ARG 61 5.264 -9.519 -4.803 506 HH22 ARG 61 2HH2 ARG 61 6.101 -8.040 -5.144 507 H GLU 62 H GLU 62 -1.153 -11.448 -1.063 508 HA GLU 62 HA GLU 62 0.348 -13.388 -2.679 509 HB2 GLU 62 2HB GLU 62 -1.002 -14.124 -0.068 510 HB3 GLU 62 3HB GLU 62 -0.285 -15.261 -1.200 511 HG2 GLU 62 2HG GLU 62 1.913 -14.153 -0.826 512 HG3 GLU 62 3HG GLU 62 1.152 -13.162 0.416 513 H LYS 63 H LYS 63 -1.144 -15.348 -3.200 514 HA LYS 63 HA LYS 63 -3.867 -14.359 -3.838 515 HB2 LYS 63 2HB LYS 63 -2.168 -16.295 -5.438 516 HB3 LYS 63 3HB LYS 63 -3.779 -15.738 -5.866 517 HG2 LYS 63 2HG LYS 63 -2.941 -13.471 -6.159 518 HG3 LYS 63 3HG LYS 63 -1.324 -13.994 -5.673 519 HD2 LYS 63 2HD LYS 63 -1.241 -15.519 -7.596 520 HD3 LYS 63 3HD LYS 63 -2.858 -15.005 -8.080 521 HE2 LYS 63 2HE LYS 63 -2.057 -12.752 -8.482 522 HE3 LYS 63 3HE LYS 63 -0.456 -13.184 -7.883 523 HZ1 LYS 63 3HZ LYS 63 -0.245 -14.758 -9.712 524 HZ2 LYS 63 1HZ LYS 63 -0.514 -13.192 -10.291 525 HZ3 LYS 63 2HZ LYS 63 -1.772 -14.319 -10.290 526 H ARG 64 H ARG 64 -5.583 -15.961 -3.880 527 HA ARG 64 HA ARG 64 -5.062 -18.691 -3.145 528 HE ARG 64 HE ARG 64 -8.291 -15.125 0.469 529 HB2 ARG 64 2HB ARG 64 -6.239 -18.703 -1.008 530 HB3 ARG 64 3HB ARG 64 -4.852 -17.623 -0.943 531 HG2 ARG 64 2HG ARG 64 -6.397 -15.709 -1.316 532 HG3 ARG 64 3HG ARG 64 -7.752 -16.836 -1.220 533 HD2 ARG 64 2HD ARG 64 -6.870 -17.505 1.059 534 HD3 ARG 64 3HD ARG 64 -5.770 -16.133 0.945 535 HH11 ARG 64 1HH1 ARG 64 -6.681 -16.718 3.082 536 HH12 ARG 64 2HH1 ARG 64 -7.733 -16.029 4.274 537 HH21 ARG 64 1HH2 ARG 64 -9.593 -14.250 2.005 538 HH22 ARG 64 2HH2 ARG 64 -9.352 -14.644 3.676 539 H ILE 65 H ILE 65 -7.049 -20.014 -3.012 540 HA ILE 65 HA ILE 65 -9.027 -19.158 -4.926 541 HB ILE 65 HB ILE 65 -8.445 -21.715 -3.498 542 HG12 ILE 65 2HG1 ILE 65 -7.503 -21.156 -5.740 543 HG13 ILE 65 3HG1 ILE 65 -8.470 -22.629 -5.743 544 HG21 ILE 65 1HG2 ILE 65 -10.817 -21.540 -3.075 545 HG22 ILE 65 2HG2 ILE 65 -10.539 -22.739 -4.339 546 HG23 ILE 65 3HG2 ILE 65 -11.126 -21.131 -4.764 547 HD11 ILE 65 3HD1 ILE 65 -10.341 -21.412 -6.725 548 HD12 ILE 65 1HD1 ILE 65 -8.889 -21.258 -7.712 549 HD13 ILE 65 2HD1 ILE 65 -9.401 -19.919 -6.684 550 H LEU 66 H LEU 66 -10.904 -18.224 -4.556 551 HA LEU 66 HA LEU 66 -11.976 -18.058 -1.835 552 HG LEU 66 HG LEU 66 -14.554 -16.693 -2.408 553 HB2 LEU 66 2HB LEU 66 -11.741 -16.028 -3.299 554 HB3 LEU 66 3HB LEU 66 -12.957 -16.713 -4.360 555 HD11 LEU 66 1HD1 LEU 66 -14.014 -15.225 -0.518 556 HD12 LEU 66 2HD1 LEU 66 -12.373 -15.037 -1.141 557 HD13 LEU 66 3HD1 LEU 66 -12.937 -16.619 -0.603 558 HD21 LEU 66 3HD2 LEU 66 -13.432 -14.035 -3.309 559 HD22 LEU 66 1HD2 LEU 66 -15.014 -14.285 -2.568 560 HD23 LEU 66 2HD2 LEU 66 -14.658 -14.991 -4.143 561 H SER 67 H SER 67 -12.803 -19.264 -5.051 562 HA SER 67 HA SER 67 -14.746 -21.110 -3.945 563 HG SER 67 HG SER 67 -15.593 -17.871 -5.857 564 HB2 SER 67 2HB SER 67 -16.606 -20.361 -5.388 565 HB3 SER 67 3HB SER 67 -16.131 -19.101 -4.250 566 H LEU 68 H LEU 68 -15.629 -22.586 -5.617 567 HA LEU 68 HA LEU 68 -13.744 -22.928 -7.875 568 HG LEU 68 HG LEU 68 -13.213 -24.172 -5.047 569 HB2 LEU 68 2HB LEU 68 -15.176 -25.050 -6.261 570 HB3 LEU 68 3HB LEU 68 -14.167 -25.366 -7.661 571 HD11 LEU 68 1HD1 LEU 68 -12.057 -26.300 -4.728 572 HD12 LEU 68 2HD1 LEU 68 -12.789 -26.929 -6.205 573 HD13 LEU 68 3HD1 LEU 68 -13.803 -26.525 -4.817 574 HD21 LEU 68 3HD2 LEU 68 -11.912 -23.342 -6.934 575 HD22 LEU 68 1HD2 LEU 68 -11.657 -24.994 -7.505 576 HD23 LEU 68 2HD2 LEU 68 -10.961 -24.472 -5.972 577 H SER 69 H SER 69 -14.548 -23.356 -9.884 578 HA SER 69 HA SER 69 -17.450 -23.166 -10.287 579 HG SER 69 HG SER 69 -16.663 -23.105 -13.804 580 HB2 SER 69 2HB SER 69 -16.038 -21.754 -11.714 581 HB3 SER 69 3HB SER 69 -15.176 -23.179 -12.299 582 H GLU 70 H GLU 70 -18.663 -24.778 -11.335 583 HA GLU 70 HA GLU 70 -19.317 -26.905 -11.844 584 HB2 GLU 70 2HB GLU 70 -17.686 -26.523 -13.697 585 HB3 GLU 70 3HB GLU 70 -16.429 -27.251 -12.707 586 HG2 GLU 70 2HG GLU 70 -17.736 -29.365 -12.689 587 HG3 GLU 70 3HG GLU 70 -18.893 -28.614 -13.789 588 H SER 71 H SER 71 -17.844 -26.238 -9.213 589 HA SER 71 HA SER 71 -17.130 -27.241 -7.303 590 HG SER 71 HG SER 71 -20.254 -28.977 -7.257 591 HB2 SER 71 2HB SER 71 -18.475 -29.693 -8.478 592 HB3 SER 71 3HB SER 71 -18.023 -29.477 -6.785 593 H GLY 72 H GLY 72 -15.393 -27.262 -9.673 594 HA2 GLY 72 2HA GLY 72 -13.355 -29.058 -8.640 595 HA3 GLY 72 3HA GLY 72 -13.919 -29.449 -10.256 596 H ARG 73 H ARG 73 -14.211 -27.039 -11.449 597 HA ARG 73 HA ARG 73 -11.548 -26.231 -12.043 598 HE ARG 73 HE ARG 73 -12.668 -26.722 -16.702 599 HB2 ARG 73 2HB ARG 73 -14.227 -25.021 -12.752 600 HB3 ARG 73 3HB ARG 73 -12.700 -24.406 -13.364 601 HG2 ARG 73 2HG ARG 73 -13.732 -27.199 -13.825 602 HG3 ARG 73 3HG ARG 73 -13.906 -25.856 -14.955 603 HD2 ARG 73 2HD ARG 73 -11.325 -25.678 -14.779 604 HD3 ARG 73 3HD ARG 73 -11.417 -27.313 -14.118 605 HH11 ARG 73 1HH1 ARG 73 -10.235 -28.368 -14.905 606 HH12 ARG 73 2HH1 ARG 73 -9.820 -29.404 -16.224 607 HH21 ARG 73 1HH2 ARG 73 -12.101 -28.009 -18.384 608 HH22 ARG 73 2HH2 ARG 73 -10.849 -29.185 -18.184 609 H VAL 74 H VAL 74 -10.698 -24.033 -11.888 610 HA VAL 74 HA VAL 74 -11.114 -22.725 -9.370 611 HB VAL 74 HB VAL 74 -9.551 -21.925 -11.842 612 HG11 VAL 74 1HG1 VAL 74 -9.700 -20.524 -9.174 613 HG12 VAL 74 2HG1 VAL 74 -10.142 -19.872 -10.749 614 HG13 VAL 74 3HG1 VAL 74 -8.453 -20.222 -10.384 615 HG21 VAL 74 3HG2 VAL 74 -8.654 -22.960 -9.146 616 HG22 VAL 74 1HG2 VAL 74 -7.593 -22.494 -10.476 617 HG23 VAL 74 2HG2 VAL 74 -8.676 -23.874 -10.655 618 H ARG 75 H ARG 75 -12.116 -20.683 -8.982 619 HA ARG 75 HA ARG 75 -13.725 -19.614 -11.219 620 HE ARG 75 HE ARG 75 -16.716 -18.510 -7.706 621 HB2 ARG 75 2HB ARG 75 -14.937 -21.007 -9.336 622 HB3 ARG 75 3HB ARG 75 -14.797 -19.516 -8.418 623 HG2 ARG 75 2HG ARG 75 -15.982 -18.309 -10.211 624 HG3 ARG 75 3HG ARG 75 -16.160 -19.826 -11.091 625 HD2 ARG 75 2HD ARG 75 -18.213 -19.526 -9.994 626 HD3 ARG 75 3HD ARG 75 -17.349 -20.705 -9.009 627 HH11 ARG 75 1HH1 ARG 75 -19.759 -19.411 -9.046 628 HH12 ARG 75 2HH1 ARG 75 -20.659 -18.485 -7.896 629 HH21 ARG 75 1HH2 ARG 75 -17.902 -17.304 -6.241 630 HH22 ARG 75 2HH2 ARG 75 -19.630 -17.307 -6.352 631 H GLU 76 H GLU 76 -13.378 -18.605 -7.829 632 HA GLU 76 HA GLU 76 -12.540 -15.938 -8.767 633 HB2 GLU 76 2HB GLU 76 -13.749 -16.769 -6.114 634 HB3 GLU 76 3HB GLU 76 -13.322 -15.125 -6.575 635 HG2 GLU 76 2HG GLU 76 -14.989 -15.159 -8.343 636 HG3 GLU 76 3HG GLU 76 -15.391 -16.832 -7.954 637 H PHE 77 H PHE 77 -10.397 -15.653 -8.670 638 HA PHE 77 HA PHE 77 -8.811 -16.974 -6.591 639 HD1 PHE 77 HD1 PHE 77 -7.927 -18.852 -7.877 640 HD2 PHE 77 HD2 PHE 77 -5.197 -15.586 -8.143 641 HE1 PHE 77 HE1 PHE 77 -6.062 -20.376 -7.387 642 HE2 PHE 77 HE2 PHE 77 -3.333 -17.112 -7.651 643 HZ PHE 77 HZ PHE 77 -3.762 -19.505 -7.273 644 HB2 PHE 77 2HB PHE 77 -8.313 -16.557 -9.258 645 HB3 PHE 77 3HB PHE 77 -7.443 -15.208 -8.541 646 H GLU 78 H GLU 78 -9.029 -15.849 -4.701 647 HA GLU 78 HA GLU 78 -9.431 -13.011 -4.670 648 HB2 GLU 78 2HB GLU 78 -10.539 -14.437 -3.027 649 HB3 GLU 78 3HB GLU 78 -8.980 -14.937 -2.381 650 HG2 GLU 78 2HG GLU 78 -8.530 -12.720 -1.577 651 HG3 GLU 78 3HG GLU 78 -9.962 -12.085 -2.386 652 H LEU 79 H LEU 79 -7.942 -11.485 -4.672 653 HA LEU 79 HA LEU 79 -5.140 -12.110 -4.152 654 HG LEU 79 HG LEU 79 -6.872 -11.104 -6.756 655 HB2 LEU 79 2HB LEU 79 -6.376 -9.477 -4.991 656 HB3 LEU 79 3HB LEU 79 -4.675 -9.908 -5.048 657 HD11 LEU 79 1HD1 LEU 79 -5.729 -9.991 -8.611 658 HD12 LEU 79 2HD1 LEU 79 -4.585 -9.268 -7.479 659 HD13 LEU 79 3HD1 LEU 79 -6.292 -8.828 -7.410 660 HD21 LEU 79 3HD2 LEU 79 -3.900 -11.646 -6.793 661 HD22 LEU 79 1HD2 LEU 79 -5.093 -12.294 -7.922 662 HD23 LEU 79 2HD2 LEU 79 -5.145 -12.759 -6.223 663 H VAL 80 H VAL 80 -4.730 -12.209 -1.986 664 HA VAL 80 HA VAL 80 -5.967 -10.271 -0.183 665 HB VAL 80 HB VAL 80 -6.047 -12.549 0.580 666 HG11 VAL 80 1HG1 VAL 80 -4.069 -13.890 1.055 667 HG12 VAL 80 2HG1 VAL 80 -3.032 -12.608 0.427 668 HG13 VAL 80 3HG1 VAL 80 -4.143 -13.454 -0.652 669 HG21 VAL 80 3HG2 VAL 80 -5.782 -10.851 2.309 670 HG22 VAL 80 1HG2 VAL 80 -4.025 -10.981 2.194 671 HG23 VAL 80 2HG2 VAL 80 -4.975 -12.344 2.784 672 H TYR 81 H TYR 81 -5.001 -8.440 0.349 673 HA TYR 81 HA TYR 81 -2.073 -8.309 0.519 674 HD1 TYR 81 HD2 TYR 81 -0.205 -7.249 -0.439 675 HD2 TYR 81 HD1 TYR 81 -3.069 -4.190 -1.182 676 HE1 TYR 81 HE2 TYR 81 1.581 -5.565 -0.348 677 HE2 TYR 81 HE1 TYR 81 -1.289 -2.500 -1.098 678 HH TYR 81 HH TYR 81 0.977 -2.255 -0.108 679 HB2 TYR 81 2HB TYR 81 -2.661 -7.528 -1.727 680 HB3 TYR 81 3HB TYR 81 -3.803 -6.377 -1.047 681 H ARG 82 H ARG 82 -1.729 -7.768 2.605 682 HA ARG 82 HA ARG 82 -3.345 -5.568 3.742 683 HE ARG 82 HE ARG 82 -3.181 -9.742 6.898 684 HB2 ARG 82 2HB ARG 82 -1.993 -7.804 5.280 685 HB3 ARG 82 3HB ARG 82 -2.931 -6.488 5.975 686 HG2 ARG 82 2HG ARG 82 -4.842 -7.402 4.447 687 HG3 ARG 82 3HG ARG 82 -3.866 -8.873 4.429 688 HD2 ARG 82 2HD ARG 82 -5.069 -7.475 6.821 689 HD3 ARG 82 3HD ARG 82 -5.466 -9.075 6.199 690 HH11 ARG 82 1HH1 ARG 82 -4.743 -7.063 8.414 691 HH12 ARG 82 2HH1 ARG 82 -3.759 -7.164 9.832 692 HH21 ARG 82 1HH2 ARG 82 -1.964 -9.867 8.769 693 HH22 ARG 82 2HH2 ARG 82 -2.244 -8.719 10.037 694 H VAL 83 H VAL 83 -2.327 -3.807 4.506 695 HA VAL 83 HA VAL 83 0.603 -3.708 4.152 696 HB VAL 83 HB VAL 83 -1.384 -1.424 4.199 697 HG11 VAL 83 1HG1 VAL 83 1.560 -1.461 3.512 698 HG12 VAL 83 2HG1 VAL 83 0.827 -0.721 4.936 699 HG13 VAL 83 3HG1 VAL 83 0.484 -0.073 3.333 700 HG21 VAL 83 3HG2 VAL 83 -1.000 -1.297 1.779 701 HG22 VAL 83 1HG2 VAL 83 -1.704 -2.846 2.243 702 HG23 VAL 83 2HG2 VAL 83 0.015 -2.736 1.864 703 H ALA 84 H ALA 84 1.732 -3.833 6.002 704 HA ALA 84 HA ALA 84 0.630 -2.702 8.480 705 HB1 ALA 84 3HB ALA 84 2.430 -3.904 9.613 706 HB2 ALA 84 1HB ALA 84 3.093 -4.403 8.057 707 HB3 ALA 84 2HB ALA 84 1.511 -4.991 8.572 708 H ALA 85 H ALA 85 1.012 -0.567 8.644 709 HA ALA 85 HA ALA 85 3.778 0.398 8.490 710 HB1 ALA 85 3HB ALA 85 3.137 2.371 7.189 711 HB2 ALA 85 1HB ALA 85 1.484 1.762 7.064 712 HB3 ALA 85 2HB ALA 85 2.808 0.889 6.292 713 H ARG 86 H ARG 86 4.228 2.157 9.870 714 HA ARG 86 HA ARG 86 2.034 2.928 11.688 715 HE ARG 86 HE ARG 86 3.258 -1.836 13.282 716 HB2 ARG 86 2HB ARG 86 4.838 2.136 12.515 717 HB3 ARG 86 3HB ARG 86 3.576 2.719 13.597 718 HG2 ARG 86 2HG ARG 86 2.192 0.783 13.046 719 HG3 ARG 86 3HG ARG 86 3.438 0.198 11.946 720 HD2 ARG 86 2HD ARG 86 4.992 -0.005 13.849 721 HD3 ARG 86 3HD ARG 86 3.710 0.539 14.937 722 HH11 ARG 86 1HH1 ARG 86 3.798 -0.490 16.409 723 HH12 ARG 86 2HH1 ARG 86 3.215 -1.895 17.230 724 HH21 ARG 86 1HH2 ARG 86 2.521 -3.630 14.344 725 HH22 ARG 86 2HH2 ARG 86 2.476 -3.646 16.073 726 H LEU 87 H LEU 87 2.376 4.901 12.908 727 HA LEU 87 HA LEU 87 3.955 6.877 11.378 728 HG LEU 87 HG LEU 87 2.697 8.847 10.580 729 HB2 LEU 87 2HB LEU 87 1.356 6.853 11.380 730 HB3 LEU 87 3HB LEU 87 1.492 7.497 13.002 731 HD11 LEU 87 1HD1 LEU 87 0.051 9.403 11.920 732 HD12 LEU 87 2HD1 LEU 87 0.262 8.630 10.347 733 HD13 LEU 87 3HD1 LEU 87 0.763 10.308 10.581 734 HD21 LEU 87 3HD2 LEU 87 3.690 9.510 12.720 735 HD22 LEU 87 1HD2 LEU 87 2.085 9.869 13.361 736 HD23 LEU 87 2HD2 LEU 87 2.737 10.823 12.027 737 H LEU 88 H LEU 88 5.740 7.428 12.539 738 HA LEU 88 HA LEU 88 5.504 7.566 15.484 739 HG LEU 88 HG LEU 88 6.125 5.102 15.444 740 HB2 LEU 88 2HB LEU 88 7.958 6.887 13.852 741 HB3 LEU 88 3HB LEU 88 7.888 6.989 15.600 742 HD11 LEU 88 1HD1 LEU 88 6.317 3.642 13.510 743 HD12 LEU 88 2HD1 LEU 88 7.427 4.778 12.743 744 HD13 LEU 88 3HD1 LEU 88 5.749 5.241 13.031 745 HD21 LEU 88 3HD2 LEU 88 9.025 4.592 14.776 746 HD22 LEU 88 1HD2 LEU 88 7.891 3.386 15.387 747 HD23 LEU 88 2HD2 LEU 88 8.327 4.770 16.387 748 H ASP 89 H ASP 89 7.347 8.868 16.467 749 HA ASP 89 HA ASP 89 7.481 11.530 15.300 750 HB2 ASP 89 2HB ASP 89 6.925 11.387 17.645 751 HB3 ASP 89 3HB ASP 89 8.314 10.359 17.969 752 H ALA 90 H ALA 90 9.650 12.701 15.441 753 HA ALA 90 HA ALA 90 11.625 11.594 13.859 754 HB1 ALA 90 3HB ALA 90 13.052 13.419 14.555 755 HB2 ALA 90 1HB ALA 90 12.060 13.690 15.990 756 HB3 ALA 90 2HB ALA 90 11.396 14.002 14.384 757 H HIS 91 H HIS 91 11.157 11.187 17.288 758 HA HIS 91 HA HIS 91 13.796 9.957 17.644 759 HD1 HIS 91 HD1 HIS 91 11.394 13.098 19.176 760 HD2 HIS 91 HD2 HIS 91 15.342 11.886 19.631 761 HE1 HIS 91 HE1 HIS 91 12.739 15.213 19.294 762 HE2 HIS 91 HE2 HIS 91 15.105 14.457 19.691 763 HB2 HIS 91 2HB HIS 91 11.634 10.603 19.668 764 HB3 HIS 91 3HB HIS 91 13.246 10.000 20.046 765 H ASN 92 H ASN 92 11.404 8.704 16.184 766 HA ASN 92 HA ASN 92 10.583 6.615 15.833 767 HB2 ASN 92 2HB ASN 92 12.786 5.876 17.763 768 HB3 ASN 92 3HB ASN 92 11.781 4.680 16.949 769 HD21 ASN 92 1HD2 ASN 92 12.092 4.285 14.779 770 HD22 ASN 92 2HD2 ASN 92 13.442 4.911 13.902 771 H ALA 93 H ALA 93 9.671 8.313 18.222 772 HA ALA 93 HA ALA 93 8.354 6.256 19.841 773 HB1 ALA 93 3HB ALA 93 9.267 8.209 20.998 774 HB2 ALA 93 1HB ALA 93 7.515 8.134 21.175 775 HB3 ALA 93 2HB ALA 93 8.238 9.272 20.038 776 H GLU 94 H GLU 94 6.394 5.478 19.255 777 HA GLU 94 HA GLU 94 5.105 6.389 16.917 778 HB2 GLU 94 2HB GLU 94 3.236 4.820 17.577 779 HB3 GLU 94 3HB GLU 94 4.826 4.099 17.403 780 HG2 GLU 94 2HG GLU 94 3.796 4.937 20.092 781 HG3 GLU 94 3HG GLU 94 3.339 3.391 19.380 782 H LEU 95 H LEU 95 4.422 8.447 16.930 783 HA LEU 95 HA LEU 95 2.820 9.649 18.947 784 HG LEU 95 HG LEU 95 5.226 10.808 17.492 785 HB2 LEU 95 2HB LEU 95 3.322 10.313 16.048 786 HB3 LEU 95 3HB LEU 95 2.272 11.292 17.059 787 HD11 LEU 95 1HD1 LEU 95 5.460 13.185 16.977 788 HD12 LEU 95 2HD1 LEU 95 3.727 13.294 16.659 789 HD13 LEU 95 3HD1 LEU 95 4.755 12.304 15.621 790 HD21 LEU 95 3HD2 LEU 95 3.275 12.480 19.082 791 HD22 LEU 95 1HD2 LEU 95 5.026 12.464 19.301 792 HD23 LEU 95 2HD2 LEU 95 4.085 11.010 19.627 793 H ALA 96 H ALA 96 2.089 7.921 15.966 794 HA ALA 96 HA ALA 96 -0.681 7.572 16.885 795 HB1 ALA 96 3HB ALA 96 0.076 8.320 14.054 796 HB2 ALA 96 1HB ALA 96 -0.712 9.380 15.226 797 HB3 ALA 96 2HB ALA 96 -1.550 7.945 14.631 798 H SER 97 H SER 97 -0.708 5.419 17.291 799 HA SER 97 HA SER 97 0.811 3.496 15.835 800 HG SER 97 HG SER 97 0.436 1.187 17.576 801 HB2 SER 97 2HB SER 97 -0.005 3.153 18.185 802 HB3 SER 97 3HB SER 97 -1.639 2.980 17.553 803 H LEU 98 H LEU 98 0.294 3.994 13.660 804 HA LEU 98 HA LEU 98 -2.313 3.996 12.597 805 HG LEU 98 HG LEU 98 -1.570 3.055 9.628 806 HB2 LEU 98 2HB LEU 98 -0.305 5.032 11.544 807 HB3 LEU 98 3HB LEU 98 0.283 3.426 11.155 808 HD11 LEU 98 1HD1 LEU 98 -2.546 5.788 10.470 809 HD12 LEU 98 2HD1 LEU 98 -3.326 4.247 10.829 810 HD13 LEU 98 3HD1 LEU 98 -3.219 4.813 9.162 811 HD21 LEU 98 3HD2 LEU 98 0.395 4.206 8.740 812 HD22 LEU 98 1HD2 LEU 98 -0.292 5.767 9.198 813 HD23 LEU 98 2HD2 LEU 98 -1.073 4.785 7.956 814 H GLN 99 H GLN 99 -3.590 2.416 11.779 815 HA GLN 99 HA GLN 99 -2.941 -0.259 12.697 816 HB2 GLN 99 2HB GLN 99 -5.093 0.863 13.253 817 HB3 GLN 99 3HB GLN 99 -5.532 0.801 11.552 818 HG2 GLN 99 2HG GLN 99 -5.601 -1.590 11.586 819 HG3 GLN 99 3HG GLN 99 -4.923 -1.637 13.214 820 HE21 GLN 99 1HE2 GLN 99 -6.653 -2.737 14.094 821 HE22 GLN 99 2HE2 GLN 99 -8.202 -2.004 14.326 822 H GLU 100 H GLU 100 -2.806 -2.075 11.476 823 HA GLU 100 HA GLU 100 -1.841 -1.944 8.869 824 HB2 GLU 100 2HB GLU 100 -2.136 -4.433 8.872 825 HB3 GLU 100 3HB GLU 100 -1.291 -3.798 10.277 826 HG2 GLU 100 2HG GLU 100 -3.664 -3.825 11.367 827 HG3 GLU 100 3HG GLU 100 -4.027 -4.982 10.087 828 H ILE 101 H ILE 101 -2.721 -1.932 6.904 829 HA ILE 101 HA ILE 101 -5.571 -1.481 6.689 830 HB ILE 101 HB ILE 101 -3.458 -1.425 4.521 831 HG12 ILE 101 2HG1 ILE 101 -4.587 0.874 6.149 832 HG13 ILE 101 3HG1 ILE 101 -2.996 0.160 6.393 833 HG21 ILE 101 1HG2 ILE 101 -5.076 -0.037 3.298 834 HG22 ILE 101 2HG2 ILE 101 -6.244 -0.251 4.600 835 HG23 ILE 101 3HG2 ILE 101 -5.728 -1.638 3.642 836 HD11 ILE 101 3HD1 ILE 101 -3.941 1.589 3.918 837 HD12 ILE 101 1HD1 ILE 101 -2.355 0.848 4.132 838 HD13 ILE 101 2HD1 ILE 101 -2.832 2.215 5.137 839 H ARG 102 H ARG 102 -7.044 -2.981 6.117 840 HA ARG 102 HA ARG 102 -6.218 -5.524 4.934 841 HE ARG 102 HE ARG 102 -10.977 -4.960 5.948 842 HB2 ARG 102 2HB ARG 102 -7.831 -5.572 6.781 843 HB3 ARG 102 3HB ARG 102 -8.935 -4.553 5.864 844 HG2 ARG 102 2HG ARG 102 -8.963 -6.406 4.115 845 HG3 ARG 102 3HG ARG 102 -8.151 -7.409 5.318 846 HD2 ARG 102 2HD ARG 102 -10.536 -7.824 5.381 847 HD3 ARG 102 3HD ARG 102 -10.039 -7.023 6.870 848 HH11 ARG 102 1HH1 ARG 102 -11.917 -7.898 4.399 849 HH12 ARG 102 2HH1 ARG 102 -13.412 -7.239 3.833 850 HH21 ARG 102 1HH2 ARG 102 -12.880 -4.133 5.196 851 HH22 ARG 102 2HH2 ARG 102 -13.946 -5.126 4.262 852 H LEU 103 H LEU 103 -6.044 -5.642 2.751 853 HA LEU 103 HA LEU 103 -8.208 -4.461 1.123 854 HG LEU 103 HG LEU 103 -5.778 -2.636 1.941 855 HB2 LEU 103 2HB LEU 103 -5.267 -4.516 0.419 856 HB3 LEU 103 3HB LEU 103 -6.550 -3.989 -0.655 857 HD11 LEU 103 1HD1 LEU 103 -4.898 -0.852 0.518 858 HD12 LEU 103 2HD1 LEU 103 -5.273 -1.805 -0.919 859 HD13 LEU 103 3HD1 LEU 103 -4.060 -2.378 0.228 860 HD21 LEU 103 3HD2 LEU 103 -7.753 -1.803 -0.191 861 HD22 LEU 103 1HD2 LEU 103 -7.288 -0.845 1.216 862 HD23 LEU 103 2HD2 LEU 103 -8.154 -2.366 1.432 863 H THR 104 H THR 104 -9.182 -5.895 -0.230 864 HA THR 104 HA THR 104 -7.683 -8.193 -1.266 865 HB THR 104 HB THR 104 -9.646 -9.726 -0.785 866 HG1 THR 104 HG1 THR 104 -11.326 -8.593 -0.090 867 HG21 THR 104 3HG2 THR 104 -7.581 -9.900 0.514 868 HG22 THR 104 1HG2 THR 104 -8.986 -10.201 1.535 869 HG23 THR 104 2HG2 THR 104 -8.154 -8.648 1.618 870 H ARG 105 H ARG 105 -8.216 -8.713 -3.332 871 HA ARG 105 HA ARG 105 -10.727 -7.613 -4.445 872 HE ARG 105 HE ARG 105 -7.773 -3.447 -5.026 873 HB2 ARG 105 2HB ARG 105 -8.026 -7.714 -5.815 874 HB3 ARG 105 3HB ARG 105 -9.534 -7.289 -6.612 875 HG2 ARG 105 2HG ARG 105 -9.766 -5.375 -5.036 876 HG3 ARG 105 3HG ARG 105 -8.169 -5.766 -4.394 877 HD2 ARG 105 2HD ARG 105 -7.226 -5.468 -6.668 878 HD3 ARG 105 3HD ARG 105 -8.826 -4.989 -7.240 879 HH11 ARG 105 1HH1 ARG 105 -8.190 -3.673 -8.447 880 HH12 ARG 105 2HH1 ARG 105 -7.883 -1.991 -8.695 881 HH21 ARG 105 1HH2 ARG 105 -7.385 -1.293 -5.382 882 HH22 ARG 105 2HH2 ARG 105 -7.407 -0.678 -6.997 883 H ILE 106 H ILE 106 -11.296 -8.711 -6.597 884 HA ILE 106 HA ILE 106 -10.923 -11.629 -6.268 885 HB ILE 106 HB ILE 106 -13.266 -10.203 -7.559 886 HG12 ILE 106 2HG1 ILE 106 -13.240 -9.771 -5.155 887 HG13 ILE 106 3HG1 ILE 106 -14.539 -10.889 -5.546 888 HG21 ILE 106 1HG2 ILE 106 -12.912 -12.419 -8.488 889 HG22 ILE 106 2HG2 ILE 106 -14.350 -12.424 -7.467 890 HG23 ILE 106 3HG2 ILE 106 -12.841 -13.116 -6.870 891 HD11 ILE 106 3HD1 ILE 106 -13.423 -11.551 -3.510 892 HD12 ILE 106 1HD1 ILE 106 -11.873 -11.608 -4.349 893 HD13 ILE 106 2HD1 ILE 106 -13.148 -12.752 -4.771 894 H LEU 107 H LEU 107 -9.550 -12.420 -7.743 895 HA LEU 107 HA LEU 107 -9.469 -11.292 -10.453 896 HG LEU 107 HG LEU 107 -5.937 -12.480 -10.792 897 HB2 LEU 107 2HB LEU 107 -7.371 -11.651 -9.118 898 HB3 LEU 107 3HB LEU 107 -7.670 -13.373 -9.187 899 HD11 LEU 107 1HD1 LEU 107 -6.639 -13.864 -12.674 900 HD12 LEU 107 2HD1 LEU 107 -8.274 -13.935 -12.018 901 HD13 LEU 107 3HD1 LEU 107 -6.936 -14.666 -11.132 902 HD21 LEU 107 3HD2 LEU 107 -6.727 -11.429 -12.862 903 HD22 LEU 107 1HD2 LEU 107 -7.031 -10.420 -11.448 904 HD23 LEU 107 2HD2 LEU 107 -8.353 -11.326 -12.185 905 HA PRO 108 HA PRO 108 -12.261 -14.742 -11.407 906 HB2 PRO 108 2HB PRO 108 -12.928 -13.933 -13.909 907 HB3 PRO 108 3HB PRO 108 -13.601 -13.189 -12.454 908 HG2 PRO 108 2HG PRO 108 -11.347 -12.239 -14.191 909 HG3 PRO 108 3HG PRO 108 -12.695 -11.311 -13.504 910 HD2 PRO 108 2HD PRO 108 -10.209 -11.323 -12.404 911 HD3 PRO 108 3HD PRO 108 -11.683 -11.143 -11.432 912 H PHE 109 H PHE 109 -12.041 -16.681 -12.471 913 HA PHE 109 HA PHE 109 -9.589 -17.065 -14.019 914 HD1 PHE 109 HD2 PHE 109 -8.083 -18.893 -14.295 915 HD2 PHE 109 HD1 PHE 109 -11.681 -21.120 -13.803 916 HE1 PHE 109 HE2 PHE 109 -7.142 -20.715 -15.656 917 HE2 PHE 109 HE1 PHE 109 -10.747 -22.939 -15.167 918 HZ PHE 109 HZ PHE 109 -8.472 -22.738 -16.095 919 HB2 PHE 109 2HB PHE 109 -9.915 -18.650 -12.236 920 HB3 PHE 109 3HB PHE 109 -11.529 -19.049 -12.816 921 H LEU 110 H LEU 110 -10.122 -16.178 -16.017 922 HA LEU 110 HA LEU 110 -12.164 -17.592 -17.581 923 HG LEU 110 HG LEU 110 -12.105 -14.525 -16.670 924 HB2 LEU 110 2HB LEU 110 -10.436 -15.219 -18.315 925 HB3 LEU 110 3HB LEU 110 -11.690 -15.916 -19.326 926 HD11 LEU 110 1HD1 LEU 110 -13.295 -12.847 -18.004 927 HD12 LEU 110 2HD1 LEU 110 -12.857 -13.711 -19.479 928 HD13 LEU 110 3HD1 LEU 110 -11.602 -12.980 -18.479 929 HD21 LEU 110 3HD2 LEU 110 -13.697 -16.357 -16.929 930 HD22 LEU 110 1HD2 LEU 110 -14.140 -15.764 -18.532 931 HD23 LEU 110 2HD2 LEU 110 -14.504 -14.801 -17.100 932 H ASP 111 H ASP 111 -11.487 -19.458 -18.393 933 HA ASP 111 HA ASP 111 -8.874 -20.381 -18.320 934 HB2 ASP 111 2HB ASP 111 -10.841 -21.833 -18.328 935 HB3 ASP 111 3HB ASP 111 -11.169 -21.404 -20.004 936 H ALA 112 H ALA 112 -10.670 -19.631 -21.338 937 HA ALA 112 HA ALA 112 -8.239 -19.916 -22.887 938 HB1 ALA 112 3HB ALA 112 -10.356 -20.791 -23.731 939 HB2 ALA 112 1HB ALA 112 -9.680 -19.587 -24.828 940 HB3 ALA 112 2HB ALA 112 -11.025 -19.159 -23.769 941 H GLN 113 H GLN 113 -9.159 -17.414 -21.047 942 HA GLN 113 HA GLN 113 -8.586 -15.316 -23.019 943 HB2 GLN 113 2HB GLN 113 -9.607 -15.156 -20.179 944 HB3 GLN 113 3HB GLN 113 -9.211 -13.746 -21.153 945 HG2 GLN 113 2HG GLN 113 -11.309 -15.811 -21.800 946 HG3 GLN 113 3HG GLN 113 -11.604 -14.194 -21.165 947 HE21 GLN 113 1HE2 GLN 113 -12.515 -15.422 -23.648 948 HE22 GLN 113 2HE2 GLN 113 -11.951 -14.402 -24.921 949 H GLU 114 H GLU 114 -6.417 -15.551 -23.336 950 HA GLU 114 HA GLU 114 -4.426 -15.824 -21.395 951 HB2 GLU 114 2HB GLU 114 -2.912 -14.873 -23.203 952 HB3 GLU 114 3HB GLU 114 -3.856 -16.290 -23.644 953 HG2 GLU 114 2HG GLU 114 -5.487 -14.837 -24.771 954 HG3 GLU 114 3HG GLU 114 -4.502 -13.434 -24.359 955 H LEU 115 H LEU 115 -5.871 -12.848 -22.744 956 HA LEU 115 HA LEU 115 -4.136 -11.058 -21.373 957 HG LEU 115 HG LEU 115 -5.697 -9.045 -24.052 958 HB2 LEU 115 2HB LEU 115 -6.819 -10.746 -22.675 959 HB3 LEU 115 3HB LEU 115 -6.162 -9.437 -21.714 960 HD11 LEU 115 1HD1 LEU 115 -4.017 -8.323 -22.422 961 HD12 LEU 115 2HD1 LEU 115 -3.293 -8.739 -23.974 962 HD13 LEU 115 3HD1 LEU 115 -3.170 -9.859 -22.618 963 HD21 LEU 115 3HD2 LEU 115 -4.198 -11.663 -24.063 964 HD22 LEU 115 1HD2 LEU 115 -4.338 -10.523 -25.399 965 HD23 LEU 115 2HD2 LEU 115 -5.767 -11.382 -24.823 966 H ALA 116 H ALA 116 -7.315 -12.402 -20.523 967 HA ALA 116 HA ALA 116 -7.708 -10.903 -18.169 968 HB1 ALA 116 3HB ALA 116 -8.781 -13.651 -18.803 969 HB2 ALA 116 1HB ALA 116 -9.503 -12.126 -19.317 970 HB3 ALA 116 2HB ALA 116 -9.418 -12.528 -17.601 971 H LYS 117 H LYS 117 -5.521 -13.422 -18.801 972 HA LYS 117 HA LYS 117 -5.104 -13.950 -15.935 973 HB2 LYS 117 2HB LYS 117 -3.985 -15.353 -18.378 974 HB3 LYS 117 3HB LYS 117 -3.629 -15.793 -16.717 975 HG2 LYS 117 2HG LYS 117 -6.405 -15.840 -17.893 976 HG3 LYS 117 3HG LYS 117 -5.323 -17.231 -17.877 977 HD2 LYS 117 2HD LYS 117 -6.524 -17.645 -15.965 978 HD3 LYS 117 3HD LYS 117 -5.206 -16.693 -15.287 979 HE2 LYS 117 2HE LYS 117 -6.664 -14.675 -15.455 980 HE3 LYS 117 3HE LYS 117 -7.980 -15.719 -15.984 981 HZ1 LYS 117 3HZ LYS 117 -7.740 -16.935 -13.867 982 HZ2 LYS 117 1HZ LYS 117 -8.171 -15.313 -13.646 983 HZ3 LYS 117 2HZ LYS 117 -6.579 -15.817 -13.371 984 H ALA 118 H ALA 118 -3.072 -13.445 -18.829 985 HA ALA 118 HA ALA 118 -0.712 -12.889 -17.410 986 HB1 ALA 118 3HB ALA 118 0.211 -12.204 -19.545 987 HB2 ALA 118 1HB ALA 118 -1.411 -12.095 -20.232 988 HB3 ALA 118 2HB ALA 118 -0.767 -13.660 -19.739 989 H ALA 119 H ALA 119 -3.165 -10.683 -18.721 990 HA ALA 119 HA ALA 119 -1.536 -8.362 -17.970 991 HB1 ALA 119 3HB ALA 119 -3.056 -7.049 -19.324 992 HB2 ALA 119 1HB ALA 119 -4.109 -8.447 -19.544 993 HB3 ALA 119 2HB ALA 119 -2.487 -8.446 -20.236 994 H GLU 120 H GLU 120 -4.907 -9.495 -17.524 995 HA GLU 120 HA GLU 120 -5.824 -7.423 -15.945 996 HB2 GLU 120 2HB GLU 120 -6.654 -10.215 -16.418 997 HB3 GLU 120 3HB GLU 120 -7.277 -9.488 -14.945 998 HG2 GLU 120 2HG GLU 120 -8.812 -9.264 -16.846 999 HG3 GLU 120 3HG GLU 120 -8.309 -7.709 -16.192 1000 H GLU 121 H GLU 121 -4.030 -10.297 -14.815 1001 HA GLU 121 HA GLU 121 -4.357 -9.842 -12.061 1002 HB2 GLU 121 2HB GLU 121 -2.024 -11.090 -13.525 1003 HB3 GLU 121 3HB GLU 121 -2.226 -11.120 -11.778 1004 HG2 GLU 121 2HG GLU 121 -4.437 -12.280 -12.175 1005 HG3 GLU 121 3HG GLU 121 -3.945 -12.447 -13.860 1006 H GLU 122 H GLU 122 -2.037 -8.456 -14.353 1007 HA GLU 122 HA GLU 122 -0.594 -6.984 -12.352 1008 HB2 GLU 122 2HB GLU 122 0.413 -7.577 -14.549 1009 HB3 GLU 122 3HB GLU 122 -0.724 -6.491 -15.339 1010 HG2 GLU 122 2HG GLU 122 0.229 -4.626 -13.951 1011 HG3 GLU 122 3HG GLU 122 1.468 -5.753 -13.405 1012 H MET 123 H MET 123 -3.265 -6.275 -14.577 1013 HA MET 123 HA MET 123 -3.545 -3.535 -14.182 1014 HB2 MET 123 2HB MET 123 -5.721 -5.605 -14.585 1015 HB3 MET 123 3HB MET 123 -5.951 -3.868 -14.740 1016 HG2 MET 123 2HG MET 123 -4.126 -5.565 -16.430 1017 HG3 MET 123 3HG MET 123 -5.696 -4.923 -16.913 1018 HE1 MET 123 3HE MET 123 -2.981 -4.539 -18.570 1019 HE2 MET 123 1HE MET 123 -3.123 -2.846 -19.047 1020 HE3 MET 123 2HE MET 123 -4.537 -3.898 -19.101 1021 H LEU 124 H LEU 124 -4.951 -6.189 -12.261 1022 HA LEU 124 HA LEU 124 -6.128 -4.480 -10.310 1023 HG LEU 124 HG LEU 124 -7.229 -6.971 -11.758 1024 HB2 LEU 124 2HB LEU 124 -5.376 -7.402 -10.201 1025 HB3 LEU 124 3HB LEU 124 -6.245 -6.574 -8.923 1026 HD11 LEU 124 1HD1 LEU 124 -8.170 -8.203 -9.166 1027 HD12 LEU 124 2HD1 LEU 124 -7.237 -9.027 -10.416 1028 HD13 LEU 124 3HD1 LEU 124 -8.871 -8.464 -10.764 1029 HD21 LEU 124 3HD2 LEU 124 -9.354 -6.041 -10.911 1030 HD22 LEU 124 1HD2 LEU 124 -8.041 -4.865 -10.865 1031 HD23 LEU 124 2HD2 LEU 124 -8.561 -5.663 -9.381 1032 H TYR 125 H TYR 125 -3.016 -6.198 -10.470 1033 HA TYR 125 HA TYR 125 -2.044 -5.706 -7.915 1034 HD1 TYR 125 HD2 TYR 125 0.550 -6.547 -7.097 1035 HD2 TYR 125 HD1 TYR 125 1.183 -4.648 -10.860 1036 HE1 TYR 125 HE2 TYR 125 2.751 -5.765 -6.333 1037 HE2 TYR 125 HE1 TYR 125 3.382 -3.863 -10.098 1038 HH TYR 125 HH TYR 125 4.518 -3.386 -7.962 1039 HB2 TYR 125 2HB TYR 125 -0.765 -7.165 -9.237 1040 HB3 TYR 125 3HB TYR 125 -0.692 -6.036 -10.585 1041 H LYS 126 H LYS 126 -1.509 -3.656 -10.798 1042 HA LYS 126 HA LYS 126 -0.031 -1.676 -9.428 1043 HB2 LYS 126 2HB LYS 126 -0.361 -0.310 -11.456 1044 HB3 LYS 126 3HB LYS 126 0.149 -1.950 -11.828 1045 HG2 LYS 126 2HG LYS 126 -2.310 -2.470 -12.226 1046 HG3 LYS 126 3HG LYS 126 -2.580 -0.727 -12.170 1047 HD2 LYS 126 2HD LYS 126 -0.753 -2.189 -14.088 1048 HD3 LYS 126 3HD LYS 126 -2.334 -1.510 -14.475 1049 HE2 LYS 126 2HE LYS 126 -1.514 0.734 -14.021 1050 HE3 LYS 126 3HE LYS 126 0.053 0.088 -13.527 1051 HZ1 LYS 126 3HZ LYS 126 0.161 0.900 -15.773 1052 HZ2 LYS 126 1HZ LYS 126 -1.140 -0.076 -16.243 1053 HZ3 LYS 126 2HZ LYS 126 0.327 -0.783 -15.787 1054 H ASP 127 H ASP 127 -3.494 -1.946 -10.129 1055 HA ASP 127 HA ASP 127 -4.128 0.654 -9.071 1056 HB2 ASP 127 2HB ASP 127 -5.486 -0.650 -10.791 1057 HB3 ASP 127 3HB ASP 127 -6.041 -1.660 -9.460 1058 H MET 128 H MET 128 -3.698 -2.523 -7.768 1059 HA MET 128 HA MET 128 -5.017 -2.181 -5.265 1060 HB2 MET 128 2HB MET 128 -4.240 -4.360 -6.371 1061 HB3 MET 128 3HB MET 128 -2.628 -3.958 -5.797 1062 HG2 MET 128 2HG MET 128 -3.656 -5.511 -4.290 1063 HG3 MET 128 3HG MET 128 -3.488 -3.949 -3.488 1064 HE1 MET 128 3HE MET 128 -6.873 -5.839 -2.294 1065 HE2 MET 128 1HE MET 128 -5.222 -5.455 -1.808 1066 HE3 MET 128 2HE MET 128 -5.516 -6.682 -3.040 1067 H GLN 129 H GLN 129 -1.635 -1.840 -6.311 1068 HA GLN 129 HA GLN 129 -0.457 -0.929 -3.957 1069 HB2 GLN 129 2HB GLN 129 0.878 -1.446 -5.915 1070 HB3 GLN 129 3HB GLN 129 0.095 -0.173 -6.840 1071 HG2 GLN 129 2HG GLN 129 2.276 0.577 -6.229 1072 HG3 GLN 129 3HG GLN 129 1.098 1.501 -5.300 1073 HE21 GLN 129 1HE2 GLN 129 0.954 1.166 -3.076 1074 HE22 GLN 129 2HE2 GLN 129 2.192 0.352 -2.191 1075 H LYS 130 H LYS 130 -2.253 0.847 -6.424 1076 HA LYS 130 HA LYS 130 -1.945 3.464 -5.602 1077 HB2 LYS 130 2HB LYS 130 -3.159 2.749 -7.637 1078 HB3 LYS 130 3HB LYS 130 -4.478 2.164 -6.633 1079 HG2 LYS 130 2HG LYS 130 -4.719 4.541 -5.784 1080 HG3 LYS 130 3HG LYS 130 -3.606 5.013 -7.071 1081 HD2 LYS 130 2HD LYS 130 -5.859 5.335 -7.858 1082 HD3 LYS 130 3HD LYS 130 -5.161 3.964 -8.718 1083 HE2 LYS 130 2HE LYS 130 -6.294 2.439 -7.109 1084 HE3 LYS 130 3HE LYS 130 -7.069 3.843 -6.379 1085 HZ1 LYS 130 3HZ LYS 130 -7.407 2.896 -9.169 1086 HZ2 LYS 130 1HZ LYS 130 -8.094 4.308 -8.543 1087 HZ3 LYS 130 2HZ LYS 130 -8.550 2.803 -7.929 1088 H ASP 131 H ASP 131 -4.693 1.357 -4.659 1089 HA ASP 131 HA ASP 131 -5.900 2.971 -2.791 1090 HB2 ASP 131 2HB ASP 131 -5.564 -0.035 -2.620 1091 HB3 ASP 131 3HB ASP 131 -6.756 0.906 -1.731 1092 H ALA 132 H ALA 132 -3.346 0.581 -2.136 1093 HA ALA 132 HA ALA 132 -3.136 0.886 0.610 1094 HB1 ALA 132 3HB ALA 132 -0.938 0.237 -1.352 1095 HB2 ALA 132 1HB ALA 132 -2.067 -0.910 -0.633 1096 HB3 ALA 132 2HB ALA 132 -0.895 -0.072 0.384 1097 H VAL 133 H VAL 133 -1.238 2.609 -1.892 1098 HA VAL 133 HA VAL 133 0.277 4.061 0.049 1099 HB VAL 133 HB VAL 133 1.163 3.492 -2.193 1100 HG11 VAL 133 1HG1 VAL 133 0.558 4.849 -4.140 1101 HG12 VAL 133 2HG1 VAL 133 -0.705 5.641 -3.198 1102 HG13 VAL 133 3HG1 VAL 133 -0.817 3.915 -3.549 1103 HG21 VAL 133 3HG2 VAL 133 2.209 5.240 -0.846 1104 HG22 VAL 133 1HG2 VAL 133 1.146 6.448 -1.571 1105 HG23 VAL 133 2HG2 VAL 133 2.334 5.604 -2.567 1106 H GLN 134 H GLN 134 -2.575 4.843 -1.918 1107 HA GLN 134 HA GLN 134 -2.690 7.602 -1.236 1108 HB2 GLN 134 2HB GLN 134 -4.963 5.758 -2.028 1109 HB3 GLN 134 3HB GLN 134 -5.019 7.516 -2.032 1110 HG2 GLN 134 2HG GLN 134 -3.228 5.811 -3.757 1111 HG3 GLN 134 3HG GLN 134 -4.720 6.590 -4.278 1112 HE21 GLN 134 1HE2 GLN 134 -1.958 6.888 -5.232 1113 HE22 GLN 134 2HE2 GLN 134 -1.608 8.573 -5.107 1114 H GLN 135 H GLN 135 -4.072 4.697 0.254 1115 HA GLN 135 HA GLN 135 -5.553 5.874 2.310 1116 HB2 GLN 135 2HB GLN 135 -4.033 3.272 2.152 1117 HB3 GLN 135 3HB GLN 135 -4.926 3.724 3.596 1118 HG2 GLN 135 2HG GLN 135 -6.242 3.646 0.897 1119 HG3 GLN 135 3HG GLN 135 -6.074 2.201 1.894 1120 HE21 GLN 135 1HE2 GLN 135 -8.307 2.014 2.078 1121 HE22 GLN 135 2HE2 GLN 135 -9.232 3.053 3.099 1122 H ILE 136 H ILE 136 -2.159 4.740 2.441 1123 HA ILE 136 HA ILE 136 -1.535 5.659 4.996 1124 HB ILE 136 HB ILE 136 0.323 5.490 2.607 1125 HG12 ILE 136 2HG1 ILE 136 -0.272 3.450 4.776 1126 HG13 ILE 136 3HG1 ILE 136 -0.845 3.364 3.114 1127 HG21 ILE 136 1HG2 ILE 136 2.131 5.298 4.264 1128 HG22 ILE 136 2HG2 ILE 136 0.966 5.549 5.564 1129 HG23 ILE 136 3HG2 ILE 136 1.286 6.839 4.404 1130 HD11 ILE 136 3HD1 ILE 136 1.047 1.895 3.450 1131 HD12 ILE 136 1HD1 ILE 136 2.031 3.248 4.008 1132 HD13 ILE 136 2HD1 ILE 136 1.473 3.192 2.335 1133 H LEU 137 H LEU 137 -1.180 7.350 1.875 1134 HA LEU 137 HA LEU 137 -0.061 9.737 2.757 1135 HG LEU 137 HG LEU 137 -1.712 11.757 1.062 1136 HB2 LEU 137 2HB LEU 137 -0.360 9.132 0.392 1137 HB3 LEU 137 3HB LEU 137 -2.094 9.341 0.554 1138 HD11 LEU 137 1HD1 LEU 137 0.555 11.623 1.915 1139 HD12 LEU 137 2HD1 LEU 137 0.481 12.733 0.546 1140 HD13 LEU 137 3HD1 LEU 137 1.144 11.112 0.332 1141 HD21 LEU 137 3HD2 LEU 137 -2.288 11.011 -1.202 1142 HD22 LEU 137 1HD2 LEU 137 -0.575 10.813 -1.573 1143 HD23 LEU 137 2HD2 LEU 137 -1.226 12.417 -1.232 1144 H ARG 138 H ARG 138 -3.522 8.905 2.492 1145 HA ARG 138 HA ARG 138 -4.533 11.354 3.467 1146 HE ARG 138 HE ARG 138 -7.714 11.295 1.919 1147 HB2 ARG 138 2HB ARG 138 -5.988 9.839 2.277 1148 HB3 ARG 138 3HB ARG 138 -5.723 8.572 3.468 1149 HG2 ARG 138 2HG ARG 138 -7.918 9.586 3.742 1150 HG3 ARG 138 3HG ARG 138 -6.907 9.887 5.153 1151 HD2 ARG 138 2HD ARG 138 -8.098 11.906 4.623 1152 HD3 ARG 138 3HD ARG 138 -6.393 12.146 4.244 1153 HH11 ARG 138 1HH1 ARG 138 -7.579 14.036 4.004 1154 HH12 ARG 138 2HH1 ARG 138 -8.072 15.134 2.765 1155 HH21 ARG 138 1HH2 ARG 138 -8.325 12.730 0.340 1156 HH22 ARG 138 2HH2 ARG 138 -8.473 14.415 0.723 1157 H GLN 139 H GLN 139 -3.814 8.304 5.184 1158 HA GLN 139 HA GLN 139 -4.817 9.084 7.691 1159 HB2 GLN 139 2HB GLN 139 -2.583 7.116 7.121 1160 HB3 GLN 139 3HB GLN 139 -3.495 7.229 8.620 1161 HG2 GLN 139 2HG GLN 139 -4.548 6.419 5.916 1162 HG3 GLN 139 3HG GLN 139 -4.307 5.378 7.316 1163 HE21 GLN 139 1HE2 GLN 139 -6.723 5.943 5.761 1164 HE22 GLN 139 2HE2 GLN 139 -7.885 6.529 6.893 1165 H VAL 140 H VAL 140 -1.443 9.162 6.503 1166 HA VAL 140 HA VAL 140 -0.281 10.158 8.852 1167 HB VAL 140 HB VAL 140 0.670 10.526 5.999 1168 HG11 VAL 140 1HG1 VAL 140 1.779 12.110 7.478 1169 HG12 VAL 140 2HG1 VAL 140 2.904 10.845 6.985 1170 HG13 VAL 140 3HG1 VAL 140 2.191 10.809 8.598 1171 HG21 VAL 140 3HG2 VAL 140 2.095 8.577 6.464 1172 HG22 VAL 140 1HG2 VAL 140 0.384 8.178 6.600 1173 HG23 VAL 140 2HG2 VAL 140 1.351 8.415 8.055 1174 H SER 141 H SER 141 -1.861 11.887 6.215 1175 HA SER 141 HA SER 141 -0.962 14.471 7.215 1176 HG SER 141 HG SER 141 -2.697 12.801 4.373 1177 HB2 SER 141 2HB SER 141 -2.267 15.410 5.317 1178 HB3 SER 141 3HB SER 141 -1.096 14.198 4.802 1179 H ALA 142 H ALA 142 -3.884 12.510 7.333 1180 HA ALA 142 HA ALA 142 -5.481 14.784 8.242 1181 HB1 ALA 142 3HB ALA 142 -6.384 13.314 6.508 1182 HB2 ALA 142 1HB ALA 142 -7.407 13.353 7.943 1183 HB3 ALA 142 2HB ALA 142 -6.359 11.966 7.644 1184 H PHE 143 H PHE 143 -3.773 12.198 9.751 1185 HA PHE 143 HA PHE 143 -5.494 11.515 11.850 1186 HD1 PHE 143 HD2 PHE 143 -1.574 12.348 10.473 1187 HD2 PHE 143 HD1 PHE 143 -2.356 11.427 14.559 1188 HE1 PHE 143 HE2 PHE 143 0.512 13.475 11.128 1189 HE2 PHE 143 HE1 PHE 143 -0.270 12.552 15.215 1190 HZ PHE 143 HZ PHE 143 1.169 13.579 13.498 1191 HB2 PHE 143 2HB PHE 143 -3.688 10.465 12.881 1192 HB3 PHE 143 3HB PHE 143 -3.183 10.502 11.197 1193 H THR 144 H THR 144 -3.567 14.373 11.417 1194 HA THR 144 HA THR 144 -3.696 15.242 14.174 1195 HB THR 144 HB THR 144 -1.759 15.854 12.821 1196 HG1 THR 144 HG1 THR 144 -1.775 17.514 14.134 1197 HG21 THR 144 3HG2 THR 144 -2.839 16.003 10.628 1198 HG22 THR 144 1HG2 THR 144 -1.943 17.479 10.986 1199 HG23 THR 144 2HG2 THR 144 -3.700 17.455 11.137 1200 H SER 145 H SER 145 -6.058 15.080 11.934 1201 HA SER 145 HA SER 145 -7.451 17.461 12.998 1202 HG SER 145 HG SER 145 -7.287 15.426 10.195 1203 HB2 SER 145 2HB SER 145 -8.506 17.857 10.836 1204 HB3 SER 145 3HB SER 145 -6.756 17.855 10.635 1205 H ALA 146 H ALA 146 -9.452 17.082 13.808 1206 HA ALA 146 HA ALA 146 -10.420 14.375 13.950 1207 HB1 ALA 146 3HB ALA 146 -11.704 16.918 14.944 1208 HB2 ALA 146 1HB ALA 146 -10.575 15.916 15.856 1209 HB3 ALA 146 2HB ALA 146 -12.152 15.272 15.396 1210 H GLY 147 H GLY 147 -11.829 17.400 12.651 1211 HA2 GLY 147 2HA GLY 147 -13.335 17.776 10.958 1212 HA3 GLY 147 3HA GLY 147 -12.855 16.218 10.310 1213 H LEU 148 H LEU 148 -14.253 16.445 13.497 1214 HA LEU 148 HA LEU 148 -16.378 14.689 12.737 1215 HG LEU 148 HG LEU 148 -16.871 16.982 15.730 1216 HB2 LEU 148 2HB LEU 148 -16.996 14.597 15.037 1217 HB3 LEU 148 3HB LEU 148 -15.252 14.546 14.940 1218 HD11 LEU 148 1HD1 LEU 148 -15.270 15.095 17.453 1219 HD12 LEU 148 2HD1 LEU 148 -17.031 15.191 17.383 1220 HD13 LEU 148 3HD1 LEU 148 -16.098 16.557 17.993 1221 HD21 LEU 148 3HD2 LEU 148 -14.780 17.680 14.762 1222 HD22 LEU 148 1HD2 LEU 148 -13.889 16.502 15.729 1223 HD23 LEU 148 2HD2 LEU 148 -14.685 17.866 16.510 1224 H GLU 149 H GLU 149 -17.341 16.084 11.104 1225 HA GLU 149 HA GLU 149 -18.656 18.511 11.820 1226 HB2 GLU 149 2HB GLU 149 -19.195 16.728 9.436 1227 HB3 GLU 149 3HB GLU 149 -19.670 18.411 9.605 1228 HG2 GLU 149 2HG GLU 149 -16.843 17.370 9.441 1229 HG3 GLU 149 3HG GLU 149 -17.734 18.180 8.154 1230 H HIS 150 H HIS 150 -20.328 15.639 10.516 1231 HA HIS 150 HA HIS 150 -22.408 15.976 12.593 1232 HD1 HIS 150 HD1 HIS 150 -25.390 16.944 11.782 1233 HD2 HIS 150 HD2 HIS 150 -24.626 13.188 10.176 1234 HE1 HIS 150 HE1 HIS 150 -27.519 15.648 12.062 1235 HE2 HIS 150 HE2 HIS 150 -27.085 13.446 10.927 1236 HB2 HIS 150 2HB HIS 150 -23.214 16.830 10.437 1237 HB3 HIS 150 3HB HIS 150 -22.808 15.305 9.661 1238 H HIS 151 H HIS 151 -21.938 14.267 13.931 1239 HA HIS 151 HA HIS 151 -21.296 11.670 12.744 1240 HD1 HIS 151 HD1 HIS 151 -22.671 11.311 16.837 1241 HD2 HIS 151 HD2 HIS 151 -20.254 14.618 16.136 1242 HE1 HIS 151 HE1 HIS 151 -23.090 12.868 18.758 1243 HE2 HIS 151 HE2 HIS 151 -21.592 14.845 18.336 1244 HB2 HIS 151 2HB HIS 151 -20.763 10.949 15.050 1245 HB3 HIS 151 3HB HIS 151 -19.854 12.372 14.564 1246 H HIS 152 H HIS 152 -22.912 10.406 12.189 1247 HA HIS 152 HA HIS 152 -25.116 9.963 14.098 1248 HD1 HIS 152 HD1 HIS 152 -27.993 10.679 13.796 1249 HD2 HIS 152 HD2 HIS 152 -27.150 8.037 10.701 1250 HE1 HIS 152 HE1 HIS 152 -30.010 9.196 13.607 1251 HE2 HIS 152 HE2 HIS 152 -29.359 7.457 11.910 1252 HB2 HIS 152 2HB HIS 152 -25.959 11.366 12.249 1253 HB3 HIS 152 3HB HIS 152 -25.418 10.160 11.085 1254 H HIS 153 H HIS 153 -23.166 8.708 11.428 1255 HA HIS 153 HA HIS 153 -24.051 5.996 11.715 1256 HD1 HIS 153 HD1 HIS 153 -22.854 8.661 8.651 1257 HD2 HIS 153 HD2 HIS 153 -24.427 4.819 8.908 1258 HE1 HIS 153 HE1 HIS 153 -24.504 8.475 6.768 1259 HE2 HIS 153 HE2 HIS 153 -25.513 6.188 7.006 1260 HB2 HIS 153 2HB HIS 153 -21.652 7.223 10.338 1261 HB3 HIS 153 3HB HIS 153 -21.996 5.497 10.312 1262 H HIS 154 H HIS 154 -23.340 4.444 13.074 1263 HA HIS 154 HA HIS 154 -21.415 5.087 15.123 1264 HD1 HIS 154 HD1 HIS 154 -25.189 3.598 14.441 1265 HD2 HIS 154 HD2 HIS 154 -23.026 4.340 17.916 1266 HE1 HIS 154 HE1 HIS 154 -26.843 4.530 16.083 1267 HE2 HIS 154 HE2 HIS 154 -25.527 4.942 18.184 1268 HB2 HIS 154 2HB HIS 154 -22.847 2.491 14.485 1269 HB3 HIS 154 3HB HIS 154 -21.847 2.759 15.910 1270 H HIS 155 H HIS 155 -19.358 5.299 14.344 1271 HA HIS 155 HA HIS 155 -18.294 3.145 12.625 1272 HD1 HIS 155 HD1 HIS 155 -17.201 4.509 9.645 1273 HD2 HIS 155 HD2 HIS 155 -14.596 4.596 12.878 1274 HE1 HIS 155 HE1 HIS 155 -14.971 3.838 8.725 1275 HE2 HIS 155 HE2 HIS 155 -13.498 3.631 10.747 1276 HB2 HIS 155 2HB HIS 155 -18.270 5.464 11.694 1277 HB3 HIS 155 3HB HIS 155 -17.194 5.942 13.002 Start of MODEL 16 1 HA MET 1 HA MET 1 -11.375 29.767 1.665 2 H1 MET 1 1H MET 1 -13.295 31.158 1.996 3 H2 MET 1 2H MET 1 -12.417 32.545 1.587 4 H3 MET 1 3H MET 1 -12.024 31.673 2.982 5 HB2 MET 1 2HB MET 1 -11.858 31.596 -0.704 6 HB3 MET 1 3HB MET 1 -11.192 29.971 -0.772 7 HG2 MET 1 2HG MET 1 -13.980 30.727 0.079 8 HG3 MET 1 3HG MET 1 -13.512 29.957 -1.435 9 HE1 MET 1 3HE MET 1 -15.403 27.064 0.383 10 HE2 MET 1 1HE MET 1 -15.272 28.027 -1.091 11 HE3 MET 1 2HE MET 1 -15.805 28.780 0.414 12 H GLY 2 H GLY 2 -10.673 33.166 0.806 13 HA2 GLY 2 2HA GLY 2 -8.697 34.337 1.244 14 HA3 GLY 2 3HA GLY 2 -7.929 32.836 1.727 15 H PHE 3 H PHE 3 -6.212 32.456 0.461 16 HA PHE 3 HA PHE 3 -6.329 33.237 -2.384 17 HD1 PHE 3 HD1 PHE 3 -4.401 35.431 -3.019 18 HD2 PHE 3 HD2 PHE 3 -4.499 34.330 1.099 19 HE1 PHE 3 HE1 PHE 3 -4.444 37.806 -2.383 20 HE2 PHE 3 HE2 PHE 3 -4.544 36.702 1.736 21 HZ PHE 3 HZ PHE 3 -4.515 38.445 -0.005 22 HB2 PHE 3 2HB PHE 3 -3.929 32.716 -0.606 23 HB3 PHE 3 3HB PHE 3 -3.850 33.169 -2.306 24 H LYS 4 H LYS 4 -5.190 31.821 -3.936 25 HA LYS 4 HA LYS 4 -5.907 29.041 -3.435 26 HB2 LYS 4 2HB LYS 4 -4.973 30.418 -5.966 27 HB3 LYS 4 3HB LYS 4 -5.493 28.742 -5.864 28 HG2 LYS 4 2HG LYS 4 -7.228 31.124 -5.214 29 HG3 LYS 4 3HG LYS 4 -7.240 30.247 -6.747 30 HD2 LYS 4 2HD LYS 4 -7.984 28.228 -5.642 31 HD3 LYS 4 3HD LYS 4 -7.822 28.988 -4.058 32 HE2 LYS 4 2HE LYS 4 -10.159 28.908 -4.766 33 HE3 LYS 4 3HE LYS 4 -9.595 30.572 -4.626 34 HZ1 LYS 4 3HZ LYS 4 -9.833 29.044 -7.167 35 HZ2 LYS 4 1HZ LYS 4 -9.337 30.656 -7.021 36 HZ3 LYS 4 2HZ LYS 4 -10.918 30.218 -6.620 37 H LEU 5 H LEU 5 -4.246 28.413 -1.986 38 HA LEU 5 HA LEU 5 -1.573 28.098 -3.180 39 HG LEU 5 HG LEU 5 -0.779 29.367 0.255 40 HB2 LEU 5 2HB LEU 5 -2.528 27.687 -0.337 41 HB3 LEU 5 3HB LEU 5 -0.915 27.282 -0.885 42 HD11 LEU 5 1HD1 LEU 5 0.070 30.871 -1.464 43 HD12 LEU 5 2HD1 LEU 5 -0.718 29.903 -2.712 44 HD13 LEU 5 3HD1 LEU 5 0.589 29.210 -1.750 45 HD21 LEU 5 3HD2 LEU 5 -2.097 31.332 -0.344 46 HD22 LEU 5 1HD2 LEU 5 -3.134 30.002 0.170 47 HD23 LEU 5 2HD2 LEU 5 -2.979 30.387 -1.546 48 H ARG 6 H ARG 6 -2.067 26.447 -4.656 49 HA ARG 6 HA ARG 6 -3.576 24.134 -3.862 50 HE ARG 6 HE ARG 6 -3.819 21.979 -4.075 51 HB2 ARG 6 2HB ARG 6 -3.716 25.053 -6.137 52 HB3 ARG 6 3HB ARG 6 -2.023 24.667 -6.404 53 HG2 ARG 6 2HG ARG 6 -3.351 23.010 -7.494 54 HG3 ARG 6 3HG ARG 6 -2.579 22.257 -6.101 55 HD2 ARG 6 2HD ARG 6 -5.407 23.321 -6.063 56 HD3 ARG 6 3HD ARG 6 -5.004 21.654 -6.472 57 HH11 ARG 6 1HH1 ARG 6 -7.024 22.606 -5.180 58 HH12 ARG 6 2HH1 ARG 6 -7.729 22.277 -3.636 59 HH21 ARG 6 1HH2 ARG 6 -4.760 21.565 -2.090 60 HH22 ARG 6 2HH2 ARG 6 -6.478 21.689 -1.932 61 H GLY 7 H GLY 7 -2.481 23.004 -2.265 62 HA2 GLY 7 2HA GLY 7 0.194 22.003 -2.656 63 HA3 GLY 7 3HA GLY 7 -0.949 21.483 -1.424 64 H GLN 8 H GLN 8 -0.718 21.373 -4.974 65 HA GLN 8 HA GLN 8 -1.191 19.789 -6.508 66 HB2 GLN 8 2HB GLN 8 -0.487 17.857 -4.299 67 HB3 GLN 8 3HB GLN 8 -0.628 17.444 -6.002 68 HG2 GLN 8 2HG GLN 8 1.396 19.315 -4.769 69 HG3 GLN 8 3HG GLN 8 1.696 17.691 -5.385 70 HE21 GLN 8 1HE2 GLN 8 1.064 21.003 -6.245 71 HE22 GLN 8 2HE2 GLN 8 1.460 20.854 -7.916 72 H VAL 9 H VAL 9 -2.369 17.885 -3.771 73 HA VAL 9 HA VAL 9 -5.111 18.235 -4.822 74 HB VAL 9 HB VAL 9 -4.222 16.015 -5.470 75 HG11 VAL 9 1HG1 VAL 9 -3.898 14.277 -3.765 76 HG12 VAL 9 2HG1 VAL 9 -4.122 15.484 -2.499 77 HG13 VAL 9 3HG1 VAL 9 -2.740 15.595 -3.587 78 HG21 VAL 9 3HG2 VAL 9 -6.154 14.711 -4.731 79 HG22 VAL 9 1HG2 VAL 9 -6.628 16.351 -5.175 80 HG23 VAL 9 2HG2 VAL 9 -6.490 15.902 -3.474 81 H SER 10 H SER 10 -3.086 17.719 -1.981 82 HA SER 10 HA SER 10 -5.175 18.777 -0.265 83 HG SER 10 HG SER 10 -5.519 16.009 1.982 84 HB2 SER 10 2HB SER 10 -5.761 16.395 -0.282 85 HB3 SER 10 3HB SER 10 -4.115 15.969 0.183 86 H GLU 11 H GLU 11 -4.368 18.851 2.092 87 HA GLU 11 HA GLU 11 -1.455 19.236 2.187 88 HB2 GLU 11 2HB GLU 11 -1.755 21.401 3.354 89 HB3 GLU 11 3HB GLU 11 -2.308 21.431 1.686 90 HG2 GLU 11 2HG GLU 11 -4.603 21.330 2.374 91 HG3 GLU 11 3HG GLU 11 -4.136 21.066 4.055 92 H LEU 12 H LEU 12 -0.501 19.093 4.178 93 HA LEU 12 HA LEU 12 -2.168 18.311 6.471 94 HG LEU 12 HG LEU 12 -0.437 16.628 3.925 95 HB2 LEU 12 2HB LEU 12 0.090 16.833 6.901 96 HB3 LEU 12 3HB LEU 12 -1.388 16.215 6.193 97 HD11 LEU 12 1HD1 LEU 12 1.955 17.046 3.681 98 HD12 LEU 12 2HD1 LEU 12 2.103 17.257 5.427 99 HD13 LEU 12 3HD1 LEU 12 1.144 18.394 4.478 100 HD21 LEU 12 3HD2 LEU 12 1.191 14.840 5.734 101 HD22 LEU 12 1HD2 LEU 12 1.138 14.740 3.973 102 HD23 LEU 12 2HD2 LEU 12 -0.314 14.415 4.918 103 HA PRO 13 HA PRO 13 -0.044 21.312 8.802 104 HB2 PRO 13 2HB PRO 13 0.278 19.533 11.130 105 HB3 PRO 13 3HB PRO 13 -0.747 20.956 10.936 106 HG2 PRO 13 2HG PRO 13 -1.784 18.483 11.050 107 HG3 PRO 13 3HG PRO 13 -2.490 19.744 10.020 108 HD2 PRO 13 2HD PRO 13 -0.664 17.480 9.256 109 HD3 PRO 13 3HD PRO 13 -2.137 18.057 8.445 110 H PHE 14 H PHE 14 1.876 19.221 7.463 111 HA PHE 14 HA PHE 14 4.275 20.338 8.624 112 HD1 PHE 14 HD2 PHE 14 4.711 16.323 7.196 113 HD2 PHE 14 HD1 PHE 14 2.100 17.331 10.407 114 HE1 PHE 14 HE2 PHE 14 3.432 14.261 6.802 115 HE2 PHE 14 HE1 PHE 14 0.821 15.266 10.015 116 HZ PHE 14 HZ PHE 14 1.485 13.729 8.210 117 HB2 PHE 14 2HB PHE 14 5.328 18.023 8.895 118 HB3 PHE 14 3HB PHE 14 4.162 18.509 10.118 119 H GLU 15 H GLU 15 5.941 20.499 7.137 120 HA GLU 15 HA GLU 15 5.386 19.322 4.484 121 HB2 GLU 15 2HB GLU 15 6.829 21.327 3.661 122 HB3 GLU 15 3HB GLU 15 5.147 21.579 4.092 123 HG2 GLU 15 2HG GLU 15 6.524 23.382 4.923 124 HG3 GLU 15 3HG GLU 15 5.823 22.475 6.259 125 H ARG 16 H ARG 16 7.213 18.452 6.851 126 HA ARG 16 HA ARG 16 9.375 17.573 5.075 127 HE ARG 16 HE ARG 16 9.766 19.940 10.629 128 HB2 ARG 16 2HB ARG 16 11.078 17.985 6.829 129 HB3 ARG 16 3HB ARG 16 10.346 19.466 6.227 130 HG2 ARG 16 2HG ARG 16 8.959 19.632 8.205 131 HG3 ARG 16 3HG ARG 16 9.576 18.087 8.795 132 HD2 ARG 16 2HD ARG 16 11.863 19.096 8.822 133 HD3 ARG 16 3HD ARG 16 11.127 20.651 8.427 134 HH11 ARG 16 1HH1 ARG 16 13.137 20.077 9.954 135 HH12 ARG 16 2HH1 ARG 16 13.570 20.317 11.608 136 HH21 ARG 16 1HH2 ARG 16 10.321 20.240 12.744 137 HH22 ARG 16 2HH2 ARG 16 11.991 20.384 13.180 138 H VAL 17 H VAL 17 9.502 15.407 5.139 139 HA VAL 17 HA VAL 17 8.968 13.999 7.671 140 HB VAL 17 HB VAL 17 7.616 12.283 6.475 141 HG11 VAL 17 1HG1 VAL 17 6.485 15.081 6.405 142 HG12 VAL 17 2HG1 VAL 17 6.507 13.995 7.796 143 HG13 VAL 17 3HG1 VAL 17 5.543 13.589 6.376 144 HG21 VAL 17 3HG2 VAL 17 8.391 12.698 4.197 145 HG22 VAL 17 1HG2 VAL 17 7.629 14.290 4.211 146 HG23 VAL 17 2HG2 VAL 17 6.635 12.834 4.289 147 H TYR 18 H TYR 18 9.668 11.773 7.708 148 HA TYR 18 HA TYR 18 11.580 10.962 5.618 149 HD1 TYR 18 HD1 TYR 18 14.373 10.623 5.731 150 HD2 TYR 18 HD2 TYR 18 12.720 8.622 9.108 151 HE1 TYR 18 HE1 TYR 18 16.010 8.811 5.455 152 HE2 TYR 18 HE2 TYR 18 14.356 6.806 8.838 153 HH TYR 18 HH TYR 18 17.077 7.059 6.832 154 HB2 TYR 18 2HB TYR 18 12.930 11.815 7.467 155 HB3 TYR 18 3HB TYR 18 12.033 10.837 8.621 156 H ILE 19 H ILE 19 11.868 8.607 5.498 157 HA ILE 19 HA ILE 19 9.784 7.052 6.877 158 HB ILE 19 HB ILE 19 8.905 7.615 4.669 159 HG12 ILE 19 2HG1 ILE 19 9.712 4.697 4.811 160 HG13 ILE 19 3HG1 ILE 19 8.382 5.413 5.713 161 HG21 ILE 19 1HG2 ILE 19 9.973 6.791 2.619 162 HG22 ILE 19 2HG2 ILE 19 11.343 6.214 3.569 163 HG23 ILE 19 3HG2 ILE 19 11.001 7.942 3.475 164 HD11 ILE 19 3HD1 ILE 19 7.260 5.958 3.617 165 HD12 ILE 19 1HD1 ILE 19 7.583 4.231 3.758 166 HD13 ILE 19 2HD1 ILE 19 8.593 5.234 2.717 167 H THR 20 H THR 20 10.270 4.891 7.290 168 HA THR 20 HA THR 20 12.891 3.876 6.441 169 HB THR 20 HB THR 20 13.396 4.895 8.579 170 HG1 THR 20 HG1 THR 20 14.590 3.136 8.665 171 HG21 THR 20 3HG2 THR 20 11.178 3.185 9.724 172 HG22 THR 20 1HG2 THR 20 11.128 4.937 9.524 173 HG23 THR 20 2HG2 THR 20 12.277 4.210 10.649 174 H ALA 21 H ALA 21 13.142 1.634 6.567 175 HA ALA 21 HA ALA 21 10.813 0.003 7.288 176 HB1 ALA 21 3HB ALA 21 10.875 -1.196 5.159 177 HB2 ALA 21 1HB ALA 21 12.157 -0.130 4.583 178 HB3 ALA 21 2HB ALA 21 10.549 0.518 4.905 179 HA PRO 22 HA PRO 22 13.881 -2.526 9.260 180 HB2 PRO 22 2HB PRO 22 12.657 -5.011 8.808 181 HB3 PRO 22 3HB PRO 22 12.335 -3.933 10.170 182 HG2 PRO 22 2HG PRO 22 10.833 -4.232 7.592 183 HG3 PRO 22 3HG PRO 22 10.204 -4.004 9.238 184 HD2 PRO 22 2HD PRO 22 10.256 -1.966 7.534 185 HD3 PRO 22 3HD PRO 22 10.702 -1.713 9.238 186 H ALA 23 H ALA 23 12.593 -4.068 6.303 187 HA ALA 23 HA ALA 23 15.300 -4.990 5.625 188 HB1 ALA 23 3HB ALA 23 13.509 -6.669 5.713 189 HB2 ALA 23 1HB ALA 23 14.212 -6.542 4.101 190 HB3 ALA 23 2HB ALA 23 12.645 -5.807 4.441 191 H GLY 24 H GLY 24 13.865 -2.222 5.115 192 HA2 GLY 24 2HA GLY 24 13.821 -0.608 3.474 193 HA3 GLY 24 3HA GLY 24 15.142 -1.496 2.728 194 H LEU 25 H LEU 25 11.597 -1.777 3.132 195 HA LEU 25 HA LEU 25 11.364 -3.412 0.770 196 HG LEU 25 HG LEU 25 10.440 -4.896 2.635 197 HB2 LEU 25 2HB LEU 25 9.200 -2.153 2.465 198 HB3 LEU 25 3HB LEU 25 8.939 -3.343 1.207 199 HD11 LEU 25 1HD1 LEU 25 9.728 -2.816 4.698 200 HD12 LEU 25 2HD1 LEU 25 11.349 -3.253 4.153 201 HD13 LEU 25 3HD1 LEU 25 10.378 -4.418 5.053 202 HD21 LEU 25 3HD2 LEU 25 7.711 -4.083 3.649 203 HD22 LEU 25 1HD2 LEU 25 8.527 -5.614 3.971 204 HD23 LEU 25 2HD2 LEU 25 8.030 -5.210 2.330 205 H THR 26 H THR 26 10.346 -2.902 -1.181 206 HA THR 26 HA THR 26 10.809 -0.354 -2.266 207 HB THR 26 HB THR 26 9.423 -1.090 -4.197 208 HG1 THR 26 HG1 THR 26 8.608 -3.302 -4.057 209 HG21 THR 26 3HG2 THR 26 11.320 -3.204 -3.153 210 HG22 THR 26 1HG2 THR 26 11.780 -1.760 -4.058 211 HG23 THR 26 2HG2 THR 26 10.808 -3.013 -4.829 212 H ILE 27 H ILE 27 7.921 -1.704 -0.775 213 HA ILE 27 HA ILE 27 5.966 0.120 -1.455 214 HB ILE 27 HB ILE 27 5.523 -1.857 -0.078 215 HG12 ILE 27 2HG1 ILE 27 3.993 -0.814 1.618 216 HG13 ILE 27 3HG1 ILE 27 4.710 0.749 1.245 217 HG21 ILE 27 1HG2 ILE 27 6.050 -1.901 2.317 218 HG22 ILE 27 2HG2 ILE 27 6.923 -0.378 2.153 219 HG23 ILE 27 3HG2 ILE 27 7.509 -1.822 1.329 220 HD11 ILE 27 3HD1 ILE 27 3.932 0.523 -1.074 221 HD12 ILE 27 1HD1 ILE 27 2.611 0.482 0.094 222 HD13 ILE 27 2HD1 ILE 27 3.176 -1.014 -0.650 223 H GLY 28 H GLY 28 8.625 0.521 0.815 224 HA2 GLY 28 2HA GLY 28 7.736 2.949 1.999 225 HA3 GLY 28 3HA GLY 28 9.382 2.334 2.008 226 H SER 29 H SER 29 10.054 2.325 -0.653 227 HA SER 29 HA SER 29 10.626 5.076 -1.084 228 HG SER 29 HG SER 29 12.002 5.432 -2.857 229 HB2 SER 29 2HB SER 29 12.144 3.248 -1.807 230 HB3 SER 29 3HB SER 29 10.975 2.796 -3.048 231 H ASP 30 H ASP 30 8.106 2.965 -2.250 232 HA ASP 30 HA ASP 30 7.207 4.662 -4.365 233 HB2 ASP 30 2HB ASP 30 6.622 2.223 -4.119 234 HB3 ASP 30 3HB ASP 30 5.562 2.668 -2.783 235 H LEU 31 H LEU 31 6.343 4.311 -0.937 236 HA LEU 31 HA LEU 31 4.261 6.183 -0.845 237 HG LEU 31 HG LEU 31 4.975 7.450 2.014 238 HB2 LEU 31 2HB LEU 31 4.759 4.612 0.978 239 HB3 LEU 31 3HB LEU 31 6.245 5.475 1.327 240 HD11 LEU 31 1HD1 LEU 31 3.061 7.248 0.533 241 HD12 LEU 31 2HD1 LEU 31 2.530 7.369 2.209 242 HD13 LEU 31 3HD1 LEU 31 2.519 5.805 1.393 243 HD21 LEU 31 3HD2 LEU 31 5.493 5.785 3.707 244 HD22 LEU 31 1HD2 LEU 31 4.005 4.913 3.335 245 HD23 LEU 31 2HD2 LEU 31 3.930 6.532 4.035 246 H GLU 32 H GLU 32 7.775 6.644 -0.648 247 HA GLU 32 HA GLU 32 7.947 9.344 -0.045 248 HB2 GLU 32 2HB GLU 32 9.546 7.887 -2.171 249 HB3 GLU 32 3HB GLU 32 9.985 9.422 -1.440 250 HG2 GLU 32 2HG GLU 32 10.155 8.256 0.756 251 HG3 GLU 32 3HG GLU 32 9.867 6.731 -0.086 252 H ARG 33 H ARG 33 7.470 7.867 -3.235 253 HA ARG 33 HA ARG 33 7.256 10.174 -4.793 254 HE ARG 33 HE ARG 33 9.431 5.678 -6.422 255 HB2 ARG 33 2HB ARG 33 5.698 7.613 -5.223 256 HB3 ARG 33 3HB ARG 33 6.160 8.789 -6.445 257 HG2 ARG 33 2HG ARG 33 8.503 8.194 -6.168 258 HG3 ARG 33 3HG ARG 33 8.082 7.071 -4.872 259 HD2 ARG 33 2HD ARG 33 6.698 5.791 -6.474 260 HD3 ARG 33 3HD ARG 33 7.213 6.883 -7.760 261 HH11 ARG 33 1HH1 ARG 33 7.007 5.117 -8.814 262 HH12 ARG 33 2HH1 ARG 33 7.940 3.916 -9.629 263 HH21 ARG 33 1HH2 ARG 33 10.597 4.111 -7.471 264 HH22 ARG 33 2HH2 ARG 33 9.939 3.353 -8.884 265 H VAL 34 H VAL 34 4.682 8.278 -3.233 266 HA VAL 34 HA VAL 34 2.500 9.779 -4.117 267 HB VAL 34 HB VAL 34 2.827 8.107 -1.621 268 HG11 VAL 34 1HG1 VAL 34 1.012 9.674 -1.231 269 HG12 VAL 34 2HG1 VAL 34 0.358 8.061 -1.510 270 HG13 VAL 34 3HG1 VAL 34 0.292 9.271 -2.790 271 HG21 VAL 34 3HG2 VAL 34 3.073 6.892 -3.720 272 HG22 VAL 34 1HG2 VAL 34 1.540 7.544 -4.300 273 HG23 VAL 34 2HG2 VAL 34 1.566 6.445 -2.921 274 H ILE 35 H ILE 35 4.154 10.049 -0.940 275 HA ILE 35 HA ILE 35 2.640 12.203 0.031 276 HB ILE 35 HB ILE 35 5.541 11.555 0.631 277 HG12 ILE 35 2HG1 ILE 35 2.993 10.701 2.045 278 HG13 ILE 35 3HG1 ILE 35 4.025 9.658 1.071 279 HG21 ILE 35 1HG2 ILE 35 5.182 12.778 2.727 280 HG22 ILE 35 2HG2 ILE 35 3.551 13.200 2.203 281 HG23 ILE 35 3HG2 ILE 35 4.948 13.821 1.325 282 HD11 ILE 35 3HD1 ILE 35 5.846 9.978 2.675 283 HD12 ILE 35 1HD1 ILE 35 4.407 9.298 3.434 284 HD13 ILE 35 2HD1 ILE 35 4.796 11.004 3.653 285 H SER 36 H SER 36 5.755 12.248 -1.711 286 HA SER 36 HA SER 36 6.124 15.040 -1.681 287 HG SER 36 HG SER 36 8.907 14.630 -3.792 288 HB2 SER 36 2HB SER 36 7.952 13.482 -2.153 289 HB3 SER 36 3HB SER 36 7.178 12.999 -3.660 290 H THR 37 H THR 37 4.405 12.982 -3.998 291 HA THR 37 HA THR 37 4.108 15.194 -5.881 292 HB THR 37 HB THR 37 3.034 13.574 -7.378 293 HG1 THR 37 HG1 THR 37 3.628 11.369 -5.834 294 HG21 THR 37 3HG2 THR 37 5.468 13.748 -7.432 295 HG22 THR 37 1HG2 THR 37 4.964 12.084 -7.721 296 HG23 THR 37 2HG2 THR 37 5.599 12.550 -6.143 297 H HIS 38 H HIS 38 2.147 13.594 -3.470 298 HA HIS 38 HA HIS 38 -0.293 14.783 -4.607 299 HD1 HIS 38 HD1 HIS 38 -2.608 12.483 -5.008 300 HD2 HIS 38 HD2 HIS 38 1.255 11.033 -4.519 301 HE1 HIS 38 HE1 HIS 38 -2.363 10.639 -6.692 302 HE2 HIS 38 HE2 HIS 38 0.034 9.916 -6.508 303 HB2 HIS 38 2HB HIS 38 0.079 12.673 -2.473 304 HB3 HIS 38 3HB HIS 38 -1.485 13.357 -2.906 305 H THR 39 H THR 39 1.829 15.087 -1.822 306 HA THR 39 HA THR 39 0.034 17.202 -0.780 307 HB THR 39 HB THR 39 0.608 16.686 1.494 308 HG1 THR 39 HG1 THR 39 2.415 14.810 0.362 309 HG21 THR 39 3HG2 THR 39 -1.225 15.367 0.564 310 HG22 THR 39 1HG2 THR 39 -0.324 14.429 1.756 311 HG23 THR 39 2HG2 THR 39 -0.083 14.131 0.034 312 H ARG 40 H ARG 40 1.550 18.319 1.146 313 HA ARG 40 HA ARG 40 3.620 19.661 -0.414 314 HE ARG 40 HE ARG 40 4.940 24.083 1.022 315 HB2 ARG 40 2HB ARG 40 1.922 21.017 0.713 316 HB3 ARG 40 3HB ARG 40 2.372 20.330 2.265 317 HG2 ARG 40 2HG ARG 40 3.277 22.570 2.007 318 HG3 ARG 40 3HG ARG 40 4.574 21.380 2.102 319 HD2 ARG 40 2HD ARG 40 4.877 21.467 -0.306 320 HD3 ARG 40 3HD ARG 40 3.508 22.568 -0.465 321 HH11 ARG 40 1HH1 ARG 40 6.258 21.881 -1.283 322 HH12 ARG 40 2HH1 ARG 40 7.634 22.877 -1.603 323 HH21 ARG 40 1HH2 ARG 40 6.717 25.322 0.637 324 HH22 ARG 40 2HH2 ARG 40 7.908 24.800 -0.505 325 H ALA 41 H ALA 41 3.453 17.211 1.942 326 HA ALA 41 HA ALA 41 5.750 17.856 3.496 327 HB1 ALA 41 3HB ALA 41 4.410 15.184 3.107 328 HB2 ALA 41 1HB ALA 41 3.993 16.383 4.329 329 HB3 ALA 41 2HB ALA 41 5.567 15.589 4.373 330 H LYS 42 H LYS 42 7.705 18.050 2.601 331 HA LYS 42 HA LYS 42 8.560 16.440 0.355 332 HB2 LYS 42 2HB LYS 42 9.137 18.888 0.724 333 HB3 LYS 42 3HB LYS 42 10.215 18.369 2.009 334 HG2 LYS 42 2HG LYS 42 10.496 17.321 -0.796 335 HG3 LYS 42 3HG LYS 42 11.211 18.856 -0.306 336 HD2 LYS 42 2HD LYS 42 11.766 16.172 0.979 337 HD3 LYS 42 3HD LYS 42 12.814 16.983 -0.184 338 HE2 LYS 42 2HE LYS 42 12.029 18.110 2.512 339 HE3 LYS 42 3HE LYS 42 13.546 17.277 2.170 340 HZ1 LYS 42 3HZ LYS 42 12.631 19.810 0.917 341 HZ2 LYS 42 1HZ LYS 42 14.067 19.004 0.545 342 HZ3 LYS 42 2HZ LYS 42 13.841 19.659 2.084 343 H VAL 43 H VAL 43 9.570 14.518 0.493 344 HA VAL 43 HA VAL 43 10.258 13.417 3.073 345 HB VAL 43 HB VAL 43 10.608 12.172 0.335 346 HG11 VAL 43 1HG1 VAL 43 11.961 11.070 2.028 347 HG12 VAL 43 2HG1 VAL 43 10.606 10.036 1.572 348 HG13 VAL 43 3HG1 VAL 43 10.560 10.932 3.091 349 HG21 VAL 43 3HG2 VAL 43 8.481 11.014 0.797 350 HG22 VAL 43 1HG2 VAL 43 8.277 12.764 0.706 351 HG23 VAL 43 2HG2 VAL 43 8.299 11.958 2.276 352 H VAL 44 H VAL 44 12.195 13.483 4.002 353 HA VAL 44 HA VAL 44 14.562 14.237 2.433 354 HB VAL 44 HB VAL 44 15.651 14.673 4.599 355 HG11 VAL 44 1HG1 VAL 44 14.456 16.500 3.542 356 HG12 VAL 44 2HG1 VAL 44 14.267 16.603 5.293 357 HG13 VAL 44 3HG1 VAL 44 12.947 15.988 4.297 358 HG21 VAL 44 3HG2 VAL 44 14.526 12.988 5.954 359 HG22 VAL 44 1HG2 VAL 44 12.999 13.860 5.803 360 HG23 VAL 44 2HG2 VAL 44 14.344 14.583 6.685 361 H ASN 45 H ASN 45 16.637 13.133 2.933 362 HA ASN 45 HA ASN 45 16.209 10.240 3.231 363 HB2 ASN 45 2HB ASN 45 17.403 11.320 1.209 364 HB3 ASN 45 3HB ASN 45 18.768 11.544 2.298 365 HD21 ASN 45 1HD2 ASN 45 19.930 9.755 2.963 366 HD22 ASN 45 2HD2 ASN 45 19.748 8.199 2.239 367 H LYS 46 H LYS 46 16.799 12.621 5.294 368 HA LYS 46 HA LYS 46 18.045 10.825 7.186 369 HB2 LYS 46 2HB LYS 46 19.809 12.326 7.906 370 HB3 LYS 46 3HB LYS 46 20.009 11.935 6.207 371 HG2 LYS 46 2HG LYS 46 18.772 14.500 7.208 372 HG3 LYS 46 3HG LYS 46 20.480 14.311 6.814 373 HD2 LYS 46 2HD LYS 46 19.838 13.687 4.499 374 HD3 LYS 46 3HD LYS 46 18.149 13.986 4.917 375 HE2 LYS 46 2HE LYS 46 19.040 15.921 3.784 376 HE3 LYS 46 3HE LYS 46 18.743 16.330 5.472 377 HZ1 LYS 46 3HZ LYS 46 21.112 16.011 5.911 378 HZ2 LYS 46 1HZ LYS 46 20.862 17.195 4.732 379 HZ3 LYS 46 2HZ LYS 46 21.379 15.652 4.284 380 H ALA 47 H ALA 47 17.473 11.220 9.303 381 HA ALA 47 HA ALA 47 14.920 12.374 9.577 382 HB1 ALA 47 3HB ALA 47 16.774 11.475 11.777 383 HB2 ALA 47 1HB ALA 47 15.712 10.421 10.842 384 HB3 ALA 47 2HB ALA 47 15.022 11.668 11.883 385 H GLU 48 H GLU 48 18.037 13.816 10.101 386 HA GLU 48 HA GLU 48 17.470 15.684 12.098 387 HB2 GLU 48 2HB GLU 48 19.357 16.973 11.240 388 HB3 GLU 48 3HB GLU 48 19.731 15.254 11.248 389 HG2 GLU 48 2HG GLU 48 19.303 15.125 8.855 390 HG3 GLU 48 3HG GLU 48 18.868 16.832 8.828 391 H LYS 49 H LYS 49 16.606 15.764 8.705 392 HA LYS 49 HA LYS 49 15.783 18.587 8.901 393 HB2 LYS 49 2HB LYS 49 17.325 17.688 7.047 394 HB3 LYS 49 3HB LYS 49 15.894 16.914 6.387 395 HG2 LYS 49 2HG LYS 49 16.247 18.963 5.217 396 HG3 LYS 49 3HG LYS 49 14.824 19.164 6.242 397 HD2 LYS 49 2HD LYS 49 16.167 20.352 7.904 398 HD3 LYS 49 3HD LYS 49 17.615 20.110 6.924 399 HE2 LYS 49 2HE LYS 49 16.783 22.353 6.590 400 HE3 LYS 49 3HE LYS 49 16.569 21.424 5.109 401 HZ1 LYS 49 3HZ LYS 49 14.248 21.110 5.674 402 HZ2 LYS 49 1HZ LYS 49 14.621 22.757 5.631 403 HZ3 LYS 49 2HZ LYS 49 14.451 21.967 7.112 404 H SER 50 H SER 50 14.313 16.050 9.868 405 HA SER 50 HA SER 50 11.833 16.345 8.281 406 HG SER 50 HG SER 50 10.912 12.991 9.321 407 HB2 SER 50 2HB SER 50 12.720 14.086 8.134 408 HB3 SER 50 3HB SER 50 12.801 13.969 9.893 409 H GLU 51 H GLU 51 9.805 15.941 9.456 410 HA GLU 51 HA GLU 51 9.867 16.958 12.233 411 HB2 GLU 51 2HB GLU 51 8.589 18.229 10.380 412 HB3 GLU 51 3HB GLU 51 7.435 16.908 10.436 413 HG2 GLU 51 2HG GLU 51 6.561 18.636 11.792 414 HG3 GLU 51 3HG GLU 51 7.152 17.389 12.892 415 H ALA 52 H ALA 52 8.554 14.498 10.079 416 HA ALA 52 HA ALA 52 7.901 12.809 12.397 417 HB1 ALA 52 3HB ALA 52 5.805 13.825 11.655 418 HB2 ALA 52 1HB ALA 52 5.810 12.088 11.343 419 HB3 ALA 52 2HB ALA 52 6.082 13.223 10.021 420 H ILE 53 H ILE 53 7.817 10.503 11.902 421 HA ILE 53 HA ILE 53 9.233 9.752 9.423 422 HB ILE 53 HB ILE 53 9.799 8.707 12.206 423 HG12 ILE 53 2HG1 ILE 53 11.526 10.159 10.182 424 HG13 ILE 53 3HG1 ILE 53 10.911 10.823 11.691 425 HG21 ILE 53 1HG2 ILE 53 11.448 7.213 11.139 426 HG22 ILE 53 2HG2 ILE 53 10.857 7.711 9.554 427 HG23 ILE 53 3HG2 ILE 53 9.795 6.835 10.657 428 HD11 ILE 53 3HD1 ILE 53 12.271 9.257 12.951 429 HD12 ILE 53 1HD1 ILE 53 13.264 10.204 11.844 430 HD13 ILE 53 2HD1 ILE 53 12.853 8.536 11.450 431 H ILE 54 H ILE 54 8.091 8.375 8.248 432 HA ILE 54 HA ILE 54 5.977 6.755 9.437 433 HB ILE 54 HB ILE 54 6.852 7.028 6.545 434 HG12 ILE 54 2HG1 ILE 54 4.565 8.150 6.342 435 HG13 ILE 54 3HG1 ILE 54 4.527 8.204 8.099 436 HG21 ILE 54 1HG2 ILE 54 4.492 5.539 7.707 437 HG22 ILE 54 2HG2 ILE 54 5.905 4.822 6.930 438 HG23 ILE 54 3HG2 ILE 54 4.788 5.806 5.988 439 HD11 ILE 54 3HD1 ILE 54 5.229 10.328 7.181 440 HD12 ILE 54 1HD1 ILE 54 6.555 9.545 6.320 441 HD13 ILE 54 2HD1 ILE 54 6.551 9.588 8.084 442 H GLN 55 H GLN 55 6.342 4.735 10.140 443 HA GLN 55 HA GLN 55 8.728 3.301 9.137 444 HB2 GLN 55 2HB GLN 55 8.735 3.951 11.557 445 HB3 GLN 55 3HB GLN 55 7.323 2.937 11.799 446 HG2 GLN 55 2HG GLN 55 9.761 1.705 10.609 447 HG3 GLN 55 3HG GLN 55 9.765 2.086 12.327 448 HE21 GLN 55 1HE2 GLN 55 9.846 -0.492 10.968 449 HE22 GLN 55 2HE2 GLN 55 8.514 -1.395 11.595 450 H ILE 56 H ILE 56 8.031 1.958 7.555 451 HA ILE 56 HA ILE 56 5.467 0.597 7.807 452 HB ILE 56 HB ILE 56 6.122 1.574 5.643 453 HG12 ILE 56 2HG1 ILE 56 4.619 -0.508 5.866 454 HG13 ILE 56 3HG1 ILE 56 5.250 -0.117 4.275 455 HG21 ILE 56 1HG2 ILE 56 8.507 1.242 5.698 456 HG22 ILE 56 2HG2 ILE 56 7.832 0.513 4.241 457 HG23 ILE 56 3HG2 ILE 56 8.300 -0.507 5.602 458 HD11 ILE 56 3HD1 ILE 56 6.950 -1.851 4.518 459 HD12 ILE 56 1HD1 ILE 56 5.321 -2.503 4.703 460 HD13 ILE 56 2HD1 ILE 56 6.329 -2.236 6.124 461 H VAL 57 H VAL 57 5.229 -1.346 8.661 462 HA VAL 57 HA VAL 57 7.500 -2.750 9.719 463 HB VAL 57 HB VAL 57 4.577 -3.539 9.751 464 HG11 VAL 57 1HG1 VAL 57 6.887 -4.479 11.460 465 HG12 VAL 57 2HG1 VAL 57 6.052 -5.423 10.226 466 HG13 VAL 57 3HG1 VAL 57 5.194 -4.925 11.685 467 HG21 VAL 57 3HG2 VAL 57 6.192 -2.018 11.808 468 HG22 VAL 57 1HG2 VAL 57 4.521 -2.558 11.997 469 HG23 VAL 57 2HG2 VAL 57 4.924 -1.346 10.780 470 H HIS 58 H HIS 58 4.850 -3.793 7.530 471 HA HIS 58 HA HIS 58 6.628 -5.221 5.813 472 HD1 HIS 58 HD1 HIS 58 5.913 -7.415 9.758 473 HD2 HIS 58 HD2 HIS 58 2.761 -6.777 7.120 474 HE1 HIS 58 HE1 HIS 58 3.825 -7.748 11.107 475 HE2 HIS 58 HE2 HIS 58 1.935 -7.418 9.490 476 HB2 HIS 58 2HB HIS 58 5.635 -7.510 6.260 477 HB3 HIS 58 3HB HIS 58 6.726 -6.898 7.494 478 H ALA 59 H ALA 59 5.609 -6.133 3.955 479 HA ALA 59 HA ALA 59 2.755 -5.462 3.598 480 HB1 ALA 59 3HB ALA 59 4.037 -3.641 2.619 481 HB2 ALA 59 1HB ALA 59 3.231 -4.576 1.359 482 HB3 ALA 59 2HB ALA 59 4.959 -4.787 1.646 483 H ILE 60 H ILE 60 1.911 -7.491 3.445 484 HA ILE 60 HA ILE 60 3.333 -9.506 1.833 485 HB ILE 60 HB ILE 60 1.172 -9.838 3.929 486 HG12 ILE 60 2HG1 ILE 60 2.988 -11.257 5.018 487 HG13 ILE 60 3HG1 ILE 60 4.101 -10.612 3.819 488 HG21 ILE 60 1HG2 ILE 60 2.438 -11.970 2.200 489 HG22 ILE 60 2HG2 ILE 60 0.754 -11.449 2.160 490 HG23 ILE 60 3HG2 ILE 60 1.387 -12.270 3.586 491 HD11 ILE 60 3HD1 ILE 60 3.709 -8.358 4.671 492 HD12 ILE 60 1HD1 ILE 60 4.291 -9.442 5.933 493 HD13 ILE 60 2HD1 ILE 60 2.584 -9.005 5.864 494 H ARG 61 H ARG 61 2.669 -9.785 -0.192 495 HA ARG 61 HA ARG 61 -0.199 -9.520 -0.825 496 HE ARG 61 HE ARG 61 2.394 -10.621 -4.988 497 HB2 ARG 61 2HB ARG 61 0.686 -9.664 -3.262 498 HB3 ARG 61 3HB ARG 61 0.917 -8.174 -2.364 499 HG2 ARG 61 2HG ARG 61 2.926 -8.625 -3.563 500 HG3 ARG 61 3HG ARG 61 3.249 -8.905 -1.855 501 HD2 ARG 61 2HD ARG 61 4.282 -10.635 -3.220 502 HD3 ARG 61 3HD ARG 61 3.014 -11.326 -2.211 503 HH11 ARG 61 1HH1 ARG 61 2.826 -13.037 -2.564 504 HH12 ARG 61 2HH1 ARG 61 2.205 -14.302 -3.565 505 HH21 ARG 61 1HH2 ARG 61 1.555 -12.261 -6.241 506 HH22 ARG 61 2HH2 ARG 61 1.493 -13.868 -5.606 507 H GLU 62 H GLU 62 -1.299 -11.187 -1.981 508 HA GLU 62 HA GLU 62 -0.011 -13.687 -2.579 509 HB2 GLU 62 2HB GLU 62 -0.702 -13.382 0.081 510 HB3 GLU 62 3HB GLU 62 -2.107 -14.209 -0.568 511 HG2 GLU 62 2HG GLU 62 0.747 -15.165 -0.745 512 HG3 GLU 62 3HG GLU 62 -0.481 -15.767 0.364 513 H LYS 63 H LYS 63 -1.322 -15.070 -3.827 514 HA LYS 63 HA LYS 63 -3.938 -13.947 -4.606 515 HB2 LYS 63 2HB LYS 63 -3.689 -15.375 -6.672 516 HB3 LYS 63 3HB LYS 63 -2.535 -14.059 -6.520 517 HG2 LYS 63 2HG LYS 63 -0.801 -15.595 -5.837 518 HG3 LYS 63 3HG LYS 63 -1.945 -16.936 -5.829 519 HD2 LYS 63 2HD LYS 63 -0.536 -16.916 -7.855 520 HD3 LYS 63 3HD LYS 63 -2.250 -16.735 -8.233 521 HE2 LYS 63 2HE LYS 63 -1.939 -14.319 -8.495 522 HE3 LYS 63 3HE LYS 63 -0.234 -14.485 -8.082 523 HZ1 LYS 63 3HZ LYS 63 -0.712 -14.334 -10.500 524 HZ2 LYS 63 1HZ LYS 63 -1.501 -15.822 -10.405 525 HZ3 LYS 63 2HZ LYS 63 0.151 -15.722 -10.059 526 H ARG 64 H ARG 64 -5.423 -14.835 -3.308 527 HA ARG 64 HA ARG 64 -5.315 -17.682 -2.617 528 HE ARG 64 HE ARG 64 -6.127 -17.281 1.724 529 HB2 ARG 64 2HB ARG 64 -7.254 -15.562 -1.668 530 HB3 ARG 64 3HB ARG 64 -7.039 -17.168 -0.986 531 HG2 ARG 64 2HG ARG 64 -4.750 -16.550 -0.309 532 HG3 ARG 64 3HG ARG 64 -5.023 -14.923 -0.942 533 HD2 ARG 64 2HD ARG 64 -5.374 -14.944 1.458 534 HD3 ARG 64 3HD ARG 64 -6.906 -14.650 0.632 535 HH11 ARG 64 1HH1 ARG 64 -8.515 -14.855 1.133 536 HH12 ARG 64 2HH1 ARG 64 -9.761 -15.759 1.917 537 HH21 ARG 64 1HH2 ARG 64 -7.757 -18.409 2.721 538 HH22 ARG 64 2HH2 ARG 64 -9.345 -17.726 2.794 539 H ILE 65 H ILE 65 -7.706 -18.628 -2.383 540 HA ILE 65 HA ILE 65 -9.111 -18.225 -4.926 541 HB ILE 65 HB ILE 65 -9.039 -20.508 -2.976 542 HG12 ILE 65 2HG1 ILE 65 -7.474 -20.488 -4.873 543 HG13 ILE 65 3HG1 ILE 65 -8.625 -21.811 -5.020 544 HG21 ILE 65 1HG2 ILE 65 -11.418 -20.118 -3.278 545 HG22 ILE 65 2HG2 ILE 65 -10.931 -21.573 -4.144 546 HG23 ILE 65 3HG2 ILE 65 -11.214 -20.075 -5.030 547 HD11 ILE 65 3HD1 ILE 65 -8.234 -20.711 -7.159 548 HD12 ILE 65 1HD1 ILE 65 -8.790 -19.180 -6.479 549 HD13 ILE 65 2HD1 ILE 65 -9.912 -20.532 -6.642 550 H LEU 66 H LEU 66 -10.902 -17.092 -5.001 551 HA LEU 66 HA LEU 66 -12.280 -16.164 -2.660 552 HG LEU 66 HG LEU 66 -14.948 -15.522 -4.061 553 HB2 LEU 66 2HB LEU 66 -12.077 -14.806 -4.699 554 HB3 LEU 66 3HB LEU 66 -13.008 -15.993 -5.591 555 HD11 LEU 66 1HD1 LEU 66 -13.692 -14.588 -2.184 556 HD12 LEU 66 2HD1 LEU 66 -14.933 -13.473 -2.750 557 HD13 LEU 66 3HD1 LEU 66 -13.242 -13.195 -3.170 558 HD21 LEU 66 3HD2 LEU 66 -14.824 -14.550 -6.296 559 HD22 LEU 66 1HD2 LEU 66 -13.898 -13.188 -5.665 560 HD23 LEU 66 2HD2 LEU 66 -15.571 -13.428 -5.160 561 H SER 67 H SER 67 -13.196 -18.285 -5.383 562 HA SER 67 HA SER 67 -15.045 -19.735 -3.650 563 HG SER 67 HG SER 67 -17.919 -19.509 -4.855 564 HB2 SER 67 2HB SER 67 -16.494 -18.013 -4.513 565 HB3 SER 67 3HB SER 67 -15.920 -18.285 -6.159 566 H LEU 68 H LEU 68 -15.561 -21.782 -4.309 567 HA LEU 68 HA LEU 68 -14.328 -22.794 -6.796 568 HG LEU 68 HG LEU 68 -12.656 -22.768 -4.179 569 HB2 LEU 68 2HB LEU 68 -14.664 -24.230 -4.150 570 HB3 LEU 68 3HB LEU 68 -14.112 -24.989 -5.631 571 HD11 LEU 68 1HD1 LEU 68 -12.047 -25.724 -4.297 572 HD12 LEU 68 2HD1 LEU 68 -12.649 -24.845 -2.892 573 HD13 LEU 68 3HD1 LEU 68 -11.048 -24.485 -3.536 574 HD21 LEU 68 3HD2 LEU 68 -12.239 -22.757 -6.585 575 HD22 LEU 68 1HD2 LEU 68 -11.818 -24.471 -6.532 576 HD23 LEU 68 2HD2 LEU 68 -10.812 -23.286 -5.698 577 H SER 69 H SER 69 -15.774 -23.616 -8.211 578 HA SER 69 HA SER 69 -18.507 -24.156 -7.237 579 HG SER 69 HG SER 69 -19.689 -23.771 -10.604 580 HB2 SER 69 2HB SER 69 -18.324 -22.453 -9.025 581 HB3 SER 69 3HB SER 69 -17.590 -23.659 -10.083 582 H GLU 70 H GLU 70 -19.708 -25.893 -8.440 583 HA GLU 70 HA GLU 70 -20.002 -28.125 -8.773 584 HB2 GLU 70 2HB GLU 70 -17.427 -27.780 -10.338 585 HB3 GLU 70 3HB GLU 70 -18.497 -29.173 -10.457 586 HG2 GLU 70 2HG GLU 70 -20.288 -27.766 -11.305 587 HG3 GLU 70 3HG GLU 70 -19.279 -26.335 -11.110 588 H SER 71 H SER 71 -18.304 -27.209 -6.465 589 HA SER 71 HA SER 71 -17.213 -28.106 -4.687 590 HG SER 71 HG SER 71 -16.394 -31.062 -4.297 591 HB2 SER 71 2HB SER 71 -18.911 -29.898 -4.895 592 HB3 SER 71 3HB SER 71 -17.838 -30.776 -5.980 593 H GLY 72 H GLY 72 -15.689 -27.457 -7.170 594 HA2 GLY 72 2HA GLY 72 -13.154 -28.338 -6.285 595 HA3 GLY 72 3HA GLY 72 -13.654 -29.347 -7.628 596 H ARG 73 H ARG 73 -14.950 -27.300 -9.188 597 HA ARG 73 HA ARG 73 -12.694 -26.455 -10.641 598 HE ARG 73 HE ARG 73 -11.779 -26.275 -11.745 599 HB2 ARG 73 2HB ARG 73 -14.938 -26.915 -11.617 600 HB3 ARG 73 3HB ARG 73 -15.520 -25.418 -10.905 601 HG2 ARG 73 2HG ARG 73 -15.043 -25.000 -13.198 602 HG3 ARG 73 3HG ARG 73 -13.805 -24.187 -12.241 603 HD2 ARG 73 2HD ARG 73 -13.427 -26.914 -13.474 604 HD3 ARG 73 3HD ARG 73 -12.989 -25.420 -14.298 605 HH11 ARG 73 1HH1 ARG 73 -11.460 -25.025 -14.940 606 HH12 ARG 73 2HH1 ARG 73 -9.770 -24.723 -14.757 607 HH21 ARG 73 1HH2 ARG 73 -9.618 -25.856 -11.531 608 HH22 ARG 73 2HH2 ARG 73 -8.746 -25.165 -12.857 609 H VAL 74 H VAL 74 -11.441 -24.723 -10.515 610 HA VAL 74 HA VAL 74 -11.718 -22.698 -8.564 611 HB VAL 74 HB VAL 74 -9.972 -22.813 -11.037 612 HG11 VAL 74 1HG1 VAL 74 -10.251 -20.492 -10.380 613 HG12 VAL 74 2HG1 VAL 74 -8.625 -21.039 -9.975 614 HG13 VAL 74 3HG1 VAL 74 -9.845 -20.888 -8.710 615 HG21 VAL 74 3HG2 VAL 74 -9.511 -24.582 -9.415 616 HG22 VAL 74 1HG2 VAL 74 -9.351 -23.381 -8.131 617 HG23 VAL 74 2HG2 VAL 74 -8.190 -23.415 -9.458 618 H ARG 75 H ARG 75 -12.880 -20.877 -8.573 619 HA ARG 75 HA ARG 75 -14.113 -19.957 -11.072 620 HE ARG 75 HE ARG 75 -16.858 -17.869 -8.669 621 HB2 ARG 75 2HB ARG 75 -14.705 -19.504 -8.164 622 HB3 ARG 75 3HB ARG 75 -15.328 -18.385 -9.368 623 HG2 ARG 75 2HG ARG 75 -16.432 -20.301 -10.506 624 HG3 ARG 75 3HG ARG 75 -15.907 -21.337 -9.176 625 HD2 ARG 75 2HD ARG 75 -18.270 -20.423 -9.022 626 HD3 ARG 75 3HD ARG 75 -17.245 -20.178 -7.609 627 HH11 ARG 75 1HH1 ARG 75 -19.808 -19.613 -9.027 628 HH12 ARG 75 2HH1 ARG 75 -20.772 -18.175 -9.014 629 HH21 ARG 75 1HH2 ARG 75 -18.095 -16.050 -8.705 630 HH22 ARG 75 2HH2 ARG 75 -19.815 -16.187 -8.842 631 H GLU 76 H GLU 76 -12.715 -18.307 -8.221 632 HA GLU 76 HA GLU 76 -11.567 -16.269 -9.992 633 HB2 GLU 76 2HB GLU 76 -13.562 -15.722 -7.778 634 HB3 GLU 76 3HB GLU 76 -12.618 -14.477 -8.583 635 HG2 GLU 76 2HG GLU 76 -13.757 -14.749 -10.611 636 HG3 GLU 76 3HG GLU 76 -14.394 -16.322 -10.148 637 H PHE 77 H PHE 77 -9.700 -15.418 -9.260 638 HA PHE 77 HA PHE 77 -8.514 -16.348 -6.803 639 HD1 PHE 77 HD1 PHE 77 -8.127 -17.826 -8.058 640 HD2 PHE 77 HD2 PHE 77 -4.886 -15.339 -9.284 641 HE1 PHE 77 HE1 PHE 77 -6.855 -19.818 -8.736 642 HE2 PHE 77 HE2 PHE 77 -3.612 -17.336 -9.962 643 HZ PHE 77 HZ PHE 77 -4.596 -19.578 -9.687 644 HB2 PHE 77 2HB PHE 77 -7.612 -14.672 -9.118 645 HB3 PHE 77 3HB PHE 77 -6.697 -14.595 -7.623 646 H GLU 78 H GLU 78 -8.159 -15.220 -4.946 647 HA GLU 78 HA GLU 78 -9.187 -12.466 -4.773 648 HB2 GLU 78 2HB GLU 78 -10.205 -14.050 -3.188 649 HB3 GLU 78 3HB GLU 78 -8.613 -14.456 -2.560 650 HG2 GLU 78 2HG GLU 78 -8.339 -12.122 -1.806 651 HG3 GLU 78 3HG GLU 78 -9.964 -11.763 -2.388 652 H LEU 79 H LEU 79 -7.467 -11.226 -5.416 653 HA LEU 79 HA LEU 79 -4.775 -11.746 -4.525 654 HG LEU 79 HG LEU 79 -6.299 -11.184 -7.340 655 HB2 LEU 79 2HB LEU 79 -5.863 -9.257 -5.861 656 HB3 LEU 79 3HB LEU 79 -4.179 -9.733 -5.740 657 HD11 LEU 79 1HD1 LEU 79 -3.987 -9.468 -8.253 658 HD12 LEU 79 2HD1 LEU 79 -5.696 -9.032 -8.323 659 HD13 LEU 79 3HD1 LEU 79 -5.089 -10.369 -9.297 660 HD21 LEU 79 3HD2 LEU 79 -4.613 -12.723 -6.486 661 HD22 LEU 79 1HD2 LEU 79 -3.326 -11.688 -7.109 662 HD23 LEU 79 2HD2 LEU 79 -4.425 -12.501 -8.224 663 H VAL 80 H VAL 80 -4.502 -11.530 -2.355 664 HA VAL 80 HA VAL 80 -5.653 -9.223 -0.963 665 HB VAL 80 HB VAL 80 -6.021 -11.403 0.073 666 HG11 VAL 80 1HG1 VAL 80 -4.155 -12.697 1.032 667 HG12 VAL 80 2HG1 VAL 80 -3.012 -11.592 0.271 668 HG13 VAL 80 3HG1 VAL 80 -4.059 -12.598 -0.727 669 HG21 VAL 80 3HG2 VAL 80 -5.864 -9.458 1.534 670 HG22 VAL 80 1HG2 VAL 80 -4.118 -9.680 1.672 671 HG23 VAL 80 2HG2 VAL 80 -5.217 -10.888 2.338 672 H TYR 81 H TYR 81 -4.470 -7.619 -0.052 673 HA TYR 81 HA TYR 81 -1.532 -7.804 -0.070 674 HD1 TYR 81 HD2 TYR 81 0.248 -7.086 -0.811 675 HD2 TYR 81 HD1 TYR 81 -1.830 -3.436 -1.541 676 HE1 TYR 81 HE2 TYR 81 2.388 -5.881 -0.858 677 HE2 TYR 81 HE1 TYR 81 0.311 -2.225 -1.592 678 HH TYR 81 HH TYR 81 2.608 -2.504 -0.737 679 HB2 TYR 81 2HB TYR 81 -2.380 -6.590 -2.116 680 HB3 TYR 81 3HB TYR 81 -3.066 -5.378 -1.042 681 H ARG 82 H ARG 82 -1.266 -7.877 2.113 682 HA ARG 82 HA ARG 82 -2.696 -5.971 3.826 683 HE ARG 82 HE ARG 82 -4.006 -11.217 4.422 684 HB2 ARG 82 2HB ARG 82 -0.910 -8.281 4.631 685 HB3 ARG 82 3HB ARG 82 -1.930 -7.326 5.701 686 HG2 ARG 82 2HG ARG 82 -3.916 -8.160 4.443 687 HG3 ARG 82 3HG ARG 82 -2.837 -9.224 3.536 688 HD2 ARG 82 2HD ARG 82 -2.097 -10.194 5.734 689 HD3 ARG 82 3HD ARG 82 -3.364 -9.244 6.510 690 HH11 ARG 82 1HH1 ARG 82 -4.425 -10.009 7.629 691 HH12 ARG 82 2HH1 ARG 82 -5.682 -11.136 7.991 692 HH21 ARG 82 1HH2 ARG 82 -5.620 -12.646 4.921 693 HH22 ARG 82 2HH2 ARG 82 -6.351 -12.598 6.489 694 H VAL 83 H VAL 83 -1.707 -4.045 4.005 695 HA VAL 83 HA VAL 83 1.231 -3.960 4.294 696 HB VAL 83 HB VAL 83 -0.655 -1.684 3.623 697 HG11 VAL 83 1HG1 VAL 83 2.368 -1.806 3.633 698 HG12 VAL 83 2HG1 VAL 83 1.356 -0.910 4.767 699 HG13 VAL 83 3HG1 VAL 83 1.400 -0.444 3.066 700 HG21 VAL 83 3HG2 VAL 83 -0.568 -3.301 1.804 701 HG22 VAL 83 1HG2 VAL 83 1.196 -3.262 1.826 702 HG23 VAL 83 2HG2 VAL 83 0.286 -1.826 1.356 703 H ALA 84 H ALA 84 1.919 -3.832 6.337 704 HA ALA 84 HA ALA 84 0.272 -2.405 8.335 705 HB1 ALA 84 3HB ALA 84 1.387 -3.739 10.034 706 HB2 ALA 84 1HB ALA 84 2.396 -4.502 8.803 707 HB3 ALA 84 2HB ALA 84 0.654 -4.784 8.816 708 H ALA 85 H ALA 85 1.020 -0.550 9.156 709 HA ALA 85 HA ALA 85 3.888 -0.025 9.304 710 HB1 ALA 85 3HB ALA 85 3.733 2.100 8.112 711 HB2 ALA 85 1HB ALA 85 2.029 1.801 7.775 712 HB3 ALA 85 2HB ALA 85 3.263 0.758 7.067 713 H ARG 86 H ARG 86 4.287 2.184 10.357 714 HA ARG 86 HA ARG 86 2.164 2.884 12.277 715 HE ARG 86 HE ARG 86 3.063 1.740 16.029 716 HB2 ARG 86 2HB ARG 86 5.079 2.447 12.981 717 HB3 ARG 86 3HB ARG 86 3.839 3.040 14.079 718 HG2 ARG 86 2HG ARG 86 2.619 0.883 13.764 719 HG3 ARG 86 3HG ARG 86 3.997 0.302 12.825 720 HD2 ARG 86 2HD ARG 86 4.146 -0.469 15.127 721 HD3 ARG 86 3HD ARG 86 5.457 0.655 14.766 722 HH11 ARG 86 1HH1 ARG 86 6.346 0.734 16.346 723 HH12 ARG 86 2HH1 ARG 86 6.542 1.524 17.874 724 HH21 ARG 86 1HH2 ARG 86 3.339 2.749 17.979 725 HH22 ARG 86 2HH2 ARG 86 4.872 2.652 18.777 726 H LEU 87 H LEU 87 2.720 4.979 13.464 727 HA LEU 87 HA LEU 87 3.946 6.872 11.551 728 HG LEU 87 HG LEU 87 2.837 9.443 12.307 729 HB2 LEU 87 2HB LEU 87 1.391 6.854 11.713 730 HB3 LEU 87 3HB LEU 87 1.593 7.511 13.326 731 HD11 LEU 87 1HD1 LEU 87 3.549 8.415 10.243 732 HD12 LEU 87 2HD1 LEU 87 2.544 9.821 9.887 733 HD13 LEU 87 3HD1 LEU 87 1.874 8.194 9.735 734 HD21 LEU 87 3HD2 LEU 87 0.479 9.624 12.935 735 HD22 LEU 87 1HD2 LEU 87 0.002 9.020 11.348 736 HD23 LEU 87 2HD2 LEU 87 0.829 10.573 11.493 737 H LEU 88 H LEU 88 5.854 7.370 12.505 738 HA LEU 88 HA LEU 88 5.872 8.109 15.364 739 HG LEU 88 HG LEU 88 6.818 5.807 15.908 740 HB2 LEU 88 2HB LEU 88 8.156 7.218 13.587 741 HB3 LEU 88 3HB LEU 88 8.335 7.742 15.250 742 HD11 LEU 88 1HD1 LEU 88 5.814 5.380 13.720 743 HD12 LEU 88 2HD1 LEU 88 6.617 3.944 14.354 744 HD13 LEU 88 3HD1 LEU 88 7.390 4.900 13.088 745 HD21 LEU 88 3HD2 LEU 88 9.242 5.760 16.226 746 HD22 LEU 88 1HD2 LEU 88 9.449 5.130 14.590 747 HD23 LEU 88 2HD2 LEU 88 8.616 4.166 15.811 748 H ASP 89 H ASP 89 7.794 9.761 15.811 749 HA ASP 89 HA ASP 89 7.439 11.985 13.916 750 HB2 ASP 89 2HB ASP 89 7.777 13.472 15.665 751 HB3 ASP 89 3HB ASP 89 6.982 12.136 16.491 752 H ALA 90 H ALA 90 9.570 13.539 14.109 753 HA ALA 90 HA ALA 90 11.535 12.344 12.552 754 HB1 ALA 90 3HB ALA 90 12.866 14.339 12.926 755 HB2 ALA 90 1HB ALA 90 11.858 14.773 14.307 756 HB3 ALA 90 2HB ALA 90 11.171 14.759 12.682 757 H HIS 91 H HIS 91 11.272 12.372 16.033 758 HA HIS 91 HA HIS 91 14.043 11.486 16.381 759 HD1 HIS 91 HD1 HIS 91 15.106 13.716 18.920 760 HD2 HIS 91 HD2 HIS 91 11.568 14.568 16.925 761 HE1 HIS 91 HE1 HIS 91 15.145 16.189 18.513 762 HE2 HIS 91 HE2 HIS 91 12.893 16.702 17.515 763 HB2 HIS 91 2HB HIS 91 11.910 12.073 18.451 764 HB3 HIS 91 3HB HIS 91 13.605 11.731 18.785 765 H ASN 92 H ASN 92 11.572 9.883 15.310 766 HA ASN 92 HA ASN 92 10.949 7.707 15.217 767 HB2 ASN 92 2HB ASN 92 13.520 7.321 16.760 768 HB3 ASN 92 3HB ASN 92 12.540 5.986 16.155 769 HD21 ASN 92 1HD2 ASN 92 12.463 5.595 13.955 770 HD22 ASN 92 2HD2 ASN 92 13.570 6.321 12.848 771 H ALA 93 H ALA 93 10.003 9.382 17.485 772 HA ALA 93 HA ALA 93 9.252 7.227 19.354 773 HB1 ALA 93 3HB ALA 93 8.350 8.994 20.784 774 HB2 ALA 93 1HB ALA 93 8.736 10.202 19.557 775 HB3 ALA 93 2HB ALA 93 10.033 9.327 20.374 776 H GLU 94 H GLU 94 7.131 6.506 19.499 777 HA GLU 94 HA GLU 94 5.585 6.622 17.163 778 HB2 GLU 94 2HB GLU 94 3.856 5.415 18.454 779 HB3 GLU 94 3HB GLU 94 5.458 4.720 18.646 780 HG2 GLU 94 2HG GLU 94 5.648 5.951 20.813 781 HG3 GLU 94 3HG GLU 94 3.958 6.419 20.630 782 H LEU 95 H LEU 95 4.403 8.214 16.382 783 HA LEU 95 HA LEU 95 3.557 10.416 18.091 784 HG LEU 95 HG LEU 95 3.665 12.633 15.091 785 HB2 LEU 95 2HB LEU 95 4.723 10.612 15.802 786 HB3 LEU 95 3HB LEU 95 3.176 10.191 15.103 787 HD11 LEU 95 1HD1 LEU 95 1.349 11.840 15.010 788 HD12 LEU 95 2HD1 LEU 95 1.488 13.381 15.852 789 HD13 LEU 95 3HD1 LEU 95 1.270 11.894 16.772 790 HD21 LEU 95 3HD2 LEU 95 4.896 12.777 17.191 791 HD22 LEU 95 1HD2 LEU 95 3.427 12.397 18.094 792 HD23 LEU 95 2HD2 LEU 95 3.539 13.901 17.179 793 H ALA 96 H ALA 96 2.031 8.223 15.707 794 HA ALA 96 HA ALA 96 -0.420 8.200 17.277 795 HB1 ALA 96 3HB ALA 96 -0.486 9.147 14.410 796 HB2 ALA 96 1HB ALA 96 -0.671 10.183 15.825 797 HB3 ALA 96 2HB ALA 96 -1.870 8.936 15.483 798 H SER 97 H SER 97 -2.057 6.680 16.343 799 HA SER 97 HA SER 97 -0.746 4.232 15.521 800 HG SER 97 HG SER 97 -4.288 5.022 15.248 801 HB2 SER 97 2HB SER 97 -3.013 3.231 15.815 802 HB3 SER 97 3HB SER 97 -2.466 4.118 17.238 803 H LEU 98 H LEU 98 -0.369 3.800 13.430 804 HA LEU 98 HA LEU 98 -2.077 4.926 11.342 805 HG LEU 98 HG LEU 98 -0.729 3.230 8.994 806 HB2 LEU 98 2HB LEU 98 0.382 5.062 11.136 807 HB3 LEU 98 3HB LEU 98 0.473 3.311 11.129 808 HD11 LEU 98 1HD1 LEU 98 -2.140 5.205 9.275 809 HD12 LEU 98 2HD1 LEU 98 -1.247 5.268 7.756 810 HD13 LEU 98 3HD1 LEU 98 -0.722 6.246 9.127 811 HD21 LEU 98 3HD2 LEU 98 1.580 5.179 8.924 812 HD22 LEU 98 1HD2 LEU 98 1.003 4.193 7.579 813 HD23 LEU 98 2HD2 LEU 98 1.722 3.422 8.992 814 H GLN 99 H GLN 99 -3.724 3.813 10.518 815 HA GLN 99 HA GLN 99 -4.371 1.174 11.343 816 HB2 GLN 99 2HB GLN 99 -6.076 2.862 10.884 817 HB3 GLN 99 3HB GLN 99 -5.580 2.947 9.203 818 HG2 GLN 99 2HG GLN 99 -7.659 1.685 9.503 819 HG3 GLN 99 3HG GLN 99 -6.377 0.692 8.816 820 HE21 GLN 99 1HE2 GLN 99 -5.594 -1.021 9.973 821 HE22 GLN 99 2HE2 GLN 99 -6.292 -1.571 11.455 822 H GLU 100 H GLU 100 -3.612 -0.720 10.526 823 HA GLU 100 HA GLU 100 -2.157 -0.816 8.067 824 HB2 GLU 100 2HB GLU 100 -1.823 -3.150 8.463 825 HB3 GLU 100 3HB GLU 100 -1.659 -2.316 9.996 826 HG2 GLU 100 2HG GLU 100 -4.149 -3.776 9.128 827 HG3 GLU 100 3HG GLU 100 -2.870 -4.492 10.100 828 H ILE 101 H ILE 101 -2.652 -2.094 6.199 829 HA ILE 101 HA ILE 101 -5.453 -1.657 5.440 830 HB ILE 101 HB ILE 101 -3.112 -2.164 3.594 831 HG12 ILE 101 2HG1 ILE 101 -4.166 0.512 4.570 832 HG13 ILE 101 3HG1 ILE 101 -2.668 -0.236 5.115 833 HG21 ILE 101 1HG2 ILE 101 -5.345 -2.411 2.596 834 HG22 ILE 101 2HG2 ILE 101 -4.504 -1.006 1.944 835 HG23 ILE 101 3HG2 ILE 101 -5.774 -0.790 3.148 836 HD11 ILE 101 3HD1 ILE 101 -1.761 -0.089 2.870 837 HD12 ILE 101 1HD1 ILE 101 -2.271 1.493 3.458 838 HD13 ILE 101 2HD1 ILE 101 -3.271 0.621 2.297 839 H ARG 102 H ARG 102 -6.601 -3.181 4.130 840 HA ARG 102 HA ARG 102 -5.663 -5.971 4.237 841 HE ARG 102 HE ARG 102 -10.765 -3.367 6.086 842 HB2 ARG 102 2HB ARG 102 -7.933 -6.623 5.119 843 HB3 ARG 102 3HB ARG 102 -6.941 -5.718 6.256 844 HG2 ARG 102 2HG ARG 102 -8.180 -3.660 5.648 845 HG3 ARG 102 3HG ARG 102 -9.214 -4.624 4.597 846 HD2 ARG 102 2HD ARG 102 -9.996 -5.909 6.519 847 HD3 ARG 102 3HD ARG 102 -8.923 -4.998 7.584 848 HH11 ARG 102 1HH1 ARG 102 -10.310 -5.160 8.999 849 HH12 ARG 102 2HH1 ARG 102 -11.519 -4.271 9.856 850 HH21 ARG 102 1HH2 ARG 102 -12.306 -2.237 7.198 851 HH22 ARG 102 2HH2 ARG 102 -12.618 -2.620 8.856 852 H LEU 103 H LEU 103 -5.638 -4.633 1.882 853 HA LEU 103 HA LEU 103 -8.114 -4.601 0.471 854 HG LEU 103 HG LEU 103 -5.816 -2.498 0.709 855 HB2 LEU 103 2HB LEU 103 -5.268 -4.527 -0.531 856 HB3 LEU 103 3HB LEU 103 -6.674 -4.307 -1.556 857 HD11 LEU 103 1HD1 LEU 103 -4.431 -2.305 -1.293 858 HD12 LEU 103 2HD1 LEU 103 -5.420 -0.863 -1.058 859 HD13 LEU 103 3HD1 LEU 103 -5.874 -2.056 -2.276 860 HD21 LEU 103 3HD2 LEU 103 -8.193 -2.280 -1.146 861 HD22 LEU 103 1HD2 LEU 103 -7.663 -1.040 -0.007 862 HD23 LEU 103 2HD2 LEU 103 -8.247 -2.593 0.589 863 H THR 104 H THR 104 -9.094 -6.061 -0.784 864 HA THR 104 HA THR 104 -7.647 -8.452 -1.709 865 HB THR 104 HB THR 104 -9.746 -9.817 -1.284 866 HG1 THR 104 HG1 THR 104 -11.407 -8.766 -0.529 867 HG21 THR 104 3HG2 THR 104 -8.303 -8.750 1.145 868 HG22 THR 104 1HG2 THR 104 -7.760 -10.075 0.114 869 HG23 THR 104 2HG2 THR 104 -9.231 -10.248 1.072 870 H ARG 105 H ARG 105 -7.722 -8.274 -3.871 871 HA ARG 105 HA ARG 105 -10.235 -7.340 -5.121 872 HE ARG 105 HE ARG 105 -7.215 -2.945 -4.056 873 HB2 ARG 105 2HB ARG 105 -7.404 -6.833 -6.077 874 HB3 ARG 105 3HB ARG 105 -8.871 -6.302 -6.900 875 HG2 ARG 105 2HG ARG 105 -9.471 -4.984 -4.881 876 HG3 ARG 105 3HG ARG 105 -7.940 -5.456 -4.153 877 HD2 ARG 105 2HD ARG 105 -6.746 -4.319 -5.991 878 HD3 ARG 105 3HD ARG 105 -8.298 -3.806 -6.660 879 HH11 ARG 105 1HH1 ARG 105 -9.133 -2.367 -6.838 880 HH12 ARG 105 2HH1 ARG 105 -9.716 -0.849 -6.262 881 HH21 ARG 105 1HH2 ARG 105 -7.968 -0.976 -3.314 882 HH22 ARG 105 2HH2 ARG 105 -9.058 -0.069 -4.299 883 H ILE 106 H ILE 106 -10.938 -8.360 -7.023 884 HA ILE 106 HA ILE 106 -10.164 -11.183 -6.903 885 HB ILE 106 HB ILE 106 -12.665 -9.931 -8.052 886 HG12 ILE 106 2HG1 ILE 106 -12.545 -9.531 -5.662 887 HG13 ILE 106 3HG1 ILE 106 -13.744 -10.781 -5.973 888 HG21 ILE 106 1HG2 ILE 106 -12.196 -12.104 -9.045 889 HG22 ILE 106 2HG2 ILE 106 -13.582 -12.212 -7.959 890 HG23 ILE 106 3HG2 ILE 106 -12.007 -12.817 -7.442 891 HD11 ILE 106 3HD1 ILE 106 -12.404 -11.302 -4.021 892 HD12 ILE 106 1HD1 ILE 106 -10.933 -11.234 -4.992 893 HD13 ILE 106 2HD1 ILE 106 -12.136 -12.488 -5.298 894 H LEU 107 H LEU 107 -9.729 -12.470 -8.637 895 HA LEU 107 HA LEU 107 -9.473 -11.218 -11.302 896 HG LEU 107 HG LEU 107 -5.948 -12.307 -11.799 897 HB2 LEU 107 2HB LEU 107 -7.307 -11.692 -9.929 898 HB3 LEU 107 3HB LEU 107 -7.616 -13.376 -10.296 899 HD11 LEU 107 1HD1 LEU 107 -6.825 -13.166 -13.894 900 HD12 LEU 107 2HD1 LEU 107 -8.455 -13.196 -13.223 901 HD13 LEU 107 3HD1 LEU 107 -7.212 -14.260 -12.567 902 HD21 LEU 107 3HD2 LEU 107 -8.292 -10.699 -12.798 903 HD22 LEU 107 1HD2 LEU 107 -6.657 -10.693 -13.458 904 HD23 LEU 107 2HD2 LEU 107 -6.956 -10.072 -11.834 905 HA PRO 108 HA PRO 108 -12.317 -14.705 -11.940 906 HB2 PRO 108 2HB PRO 108 -13.114 -14.033 -14.444 907 HB3 PRO 108 3HB PRO 108 -13.714 -13.214 -12.997 908 HG2 PRO 108 2HG PRO 108 -11.552 -12.360 -14.896 909 HG3 PRO 108 3HG PRO 108 -12.865 -11.396 -14.192 910 HD2 PRO 108 2HD PRO 108 -10.332 -11.342 -13.217 911 HD3 PRO 108 3HD PRO 108 -11.757 -11.126 -12.178 912 H PHE 109 H PHE 109 -12.013 -16.733 -12.754 913 HA PHE 109 HA PHE 109 -9.658 -17.347 -14.254 914 HD1 PHE 109 HD1 PHE 109 -8.359 -19.678 -13.755 915 HD2 PHE 109 HD2 PHE 109 -12.244 -20.734 -15.158 916 HE1 PHE 109 HE1 PHE 109 -7.395 -21.559 -15.014 917 HE2 PHE 109 HE2 PHE 109 -11.282 -22.615 -16.418 918 HZ PHE 109 HZ PHE 109 -8.855 -23.029 -16.347 919 HB2 PHE 109 2HB PHE 109 -10.523 -18.929 -12.607 920 HB3 PHE 109 3HB PHE 109 -12.027 -19.089 -13.507 921 H LEU 110 H LEU 110 -9.837 -16.214 -16.206 922 HA LEU 110 HA LEU 110 -11.972 -16.879 -18.060 923 HG LEU 110 HG LEU 110 -10.992 -14.119 -16.837 924 HB2 LEU 110 2HB LEU 110 -9.491 -15.196 -18.447 925 HB3 LEU 110 3HB LEU 110 -10.808 -15.346 -19.597 926 HD11 LEU 110 1HD1 LEU 110 -11.423 -12.030 -18.067 927 HD12 LEU 110 2HD1 LEU 110 -11.087 -12.869 -19.582 928 HD13 LEU 110 3HD1 LEU 110 -9.813 -12.680 -18.376 929 HD21 LEU 110 3HD2 LEU 110 -13.117 -14.389 -18.967 930 HD22 LEU 110 1HD2 LEU 110 -13.282 -13.518 -17.442 931 HD23 LEU 110 2HD2 LEU 110 -13.067 -15.267 -17.439 932 H ASP 111 H ASP 111 -11.887 -18.843 -18.937 933 HA ASP 111 HA ASP 111 -9.620 -20.480 -19.099 934 HB2 ASP 111 2HB ASP 111 -11.826 -21.435 -19.038 935 HB3 ASP 111 3HB ASP 111 -12.279 -20.616 -20.528 936 H ALA 112 H ALA 112 -11.365 -18.974 -21.845 937 HA ALA 112 HA ALA 112 -9.055 -19.567 -23.566 938 HB1 ALA 112 3HB ALA 112 -11.259 -20.387 -24.269 939 HB2 ALA 112 1HB ALA 112 -10.585 -19.245 -25.433 940 HB3 ALA 112 2HB ALA 112 -11.856 -18.729 -24.323 941 H GLN 113 H GLN 113 -9.067 -17.252 -21.686 942 HA GLN 113 HA GLN 113 -8.484 -15.173 -23.694 943 HB2 GLN 113 2HB GLN 113 -9.946 -14.650 -21.092 944 HB3 GLN 113 3HB GLN 113 -9.474 -13.435 -22.273 945 HG2 GLN 113 2HG GLN 113 -10.974 -14.426 -23.917 946 HG3 GLN 113 3HG GLN 113 -11.418 -15.685 -22.766 947 HE21 GLN 113 1HE2 GLN 113 -13.577 -15.127 -22.811 948 HE22 GLN 113 2HE2 GLN 113 -14.183 -13.687 -22.075 949 H GLU 114 H GLU 114 -6.271 -15.761 -23.418 950 HA GLU 114 HA GLU 114 -5.045 -15.725 -20.823 951 HB2 GLU 114 2HB GLU 114 -2.928 -16.076 -22.044 952 HB3 GLU 114 3HB GLU 114 -4.177 -17.222 -22.504 953 HG2 GLU 114 2HG GLU 114 -4.597 -16.011 -24.553 954 HG3 GLU 114 3HG GLU 114 -3.447 -14.762 -24.080 955 H LEU 115 H LEU 115 -5.248 -13.408 -23.499 956 HA LEU 115 HA LEU 115 -3.305 -11.575 -22.638 957 HG LEU 115 HG LEU 115 -4.343 -10.489 -26.035 958 HB2 LEU 115 2HB LEU 115 -5.844 -11.237 -24.220 959 HB3 LEU 115 3HB LEU 115 -4.877 -9.842 -23.785 960 HD11 LEU 115 1HD1 LEU 115 -2.503 -9.662 -24.665 961 HD12 LEU 115 2HD1 LEU 115 -1.939 -10.815 -25.872 962 HD13 LEU 115 3HD1 LEU 115 -2.105 -11.313 -24.187 963 HD21 LEU 115 3HD2 LEU 115 -3.639 -13.216 -24.960 964 HD22 LEU 115 1HD2 LEU 115 -3.435 -12.670 -26.623 965 HD23 LEU 115 2HD2 LEU 115 -5.053 -12.828 -25.939 966 H ALA 116 H ALA 116 -6.765 -11.743 -21.837 967 HA ALA 116 HA ALA 116 -6.845 -9.497 -20.136 968 HB1 ALA 116 3HB ALA 116 -8.592 -11.959 -20.081 969 HB2 ALA 116 1HB ALA 116 -8.846 -10.533 -21.088 970 HB3 ALA 116 2HB ALA 116 -8.964 -10.404 -19.333 971 H LYS 117 H LYS 117 -6.313 -12.946 -19.413 972 HA LYS 117 HA LYS 117 -6.211 -12.872 -16.647 973 HB2 LYS 117 2HB LYS 117 -4.584 -14.527 -18.587 974 HB3 LYS 117 3HB LYS 117 -4.584 -14.802 -16.852 975 HG2 LYS 117 2HG LYS 117 -7.035 -14.934 -18.605 976 HG3 LYS 117 3HG LYS 117 -6.076 -16.328 -18.108 977 HD2 LYS 117 2HD LYS 117 -7.577 -14.441 -16.281 978 HD3 LYS 117 3HD LYS 117 -8.049 -16.088 -16.697 979 HE2 LYS 117 2HE LYS 117 -5.596 -15.246 -15.150 980 HE3 LYS 117 3HE LYS 117 -7.022 -16.058 -14.507 981 HZ1 LYS 117 3HZ LYS 117 -6.484 -17.950 -15.993 982 HZ2 LYS 117 1HZ LYS 117 -5.307 -17.655 -14.814 983 HZ3 LYS 117 2HZ LYS 117 -5.041 -17.176 -16.413 984 H ALA 118 H ALA 118 -3.457 -12.411 -18.881 985 HA ALA 118 HA ALA 118 -1.538 -11.943 -16.855 986 HB1 ALA 118 3HB ALA 118 -0.071 -11.229 -18.659 987 HB2 ALA 118 1HB ALA 118 -1.448 -11.110 -19.755 988 HB3 ALA 118 2HB ALA 118 -0.958 -12.681 -19.121 989 H ALA 119 H ALA 119 -3.264 -9.673 -18.996 990 HA ALA 119 HA ALA 119 -2.030 -7.327 -18.038 991 HB1 ALA 119 3HB ALA 119 -3.793 -6.124 -19.214 992 HB2 ALA 119 1HB ALA 119 -4.724 -7.617 -19.372 993 HB3 ALA 119 2HB ALA 119 -3.173 -7.451 -20.197 994 H GLU 120 H GLU 120 -5.337 -8.549 -17.335 995 HA GLU 120 HA GLU 120 -6.074 -6.585 -15.515 996 HB2 GLU 120 2HB GLU 120 -6.908 -9.470 -15.758 997 HB3 GLU 120 3HB GLU 120 -7.603 -8.412 -14.539 998 HG2 GLU 120 2HG GLU 120 -7.697 -7.926 -17.513 999 HG3 GLU 120 3HG GLU 120 -9.005 -8.607 -16.546 1000 H GLU 121 H GLU 121 -4.554 -9.739 -14.761 1001 HA GLU 121 HA GLU 121 -4.600 -9.499 -11.986 1002 HB2 GLU 121 2HB GLU 121 -4.056 -11.585 -13.163 1003 HB3 GLU 121 3HB GLU 121 -2.518 -10.901 -13.677 1004 HG2 GLU 121 2HG GLU 121 -1.855 -10.694 -11.309 1005 HG3 GLU 121 3HG GLU 121 -3.369 -11.466 -10.840 1006 H GLU 122 H GLU 122 -1.875 -8.659 -14.169 1007 HA GLU 122 HA GLU 122 -0.199 -7.661 -12.140 1008 HB2 GLU 122 2HB GLU 122 0.601 -8.239 -14.406 1009 HB3 GLU 122 3HB GLU 122 -0.263 -6.850 -15.058 1010 HG2 GLU 122 2HG GLU 122 1.138 -5.346 -13.734 1011 HG3 GLU 122 3HG GLU 122 1.989 -6.728 -13.050 1012 H MET 123 H MET 123 -2.603 -6.027 -14.182 1013 HA MET 123 HA MET 123 -2.087 -3.413 -13.221 1014 HB2 MET 123 2HB MET 123 -4.559 -4.604 -14.485 1015 HB3 MET 123 3HB MET 123 -4.387 -2.895 -14.106 1016 HG2 MET 123 2HG MET 123 -2.407 -2.801 -15.583 1017 HG3 MET 123 3HG MET 123 -2.678 -4.490 -16.010 1018 HE1 MET 123 3HE MET 123 -2.719 -3.839 -18.600 1019 HE2 MET 123 1HE MET 123 -2.437 -2.149 -18.170 1020 HE3 MET 123 2HE MET 123 -3.750 -2.574 -19.266 1021 H LEU 124 H LEU 124 -4.094 -6.031 -11.989 1022 HA LEU 124 HA LEU 124 -5.367 -4.459 -9.966 1023 HG LEU 124 HG LEU 124 -6.614 -6.557 -11.827 1024 HB2 LEU 124 2HB LEU 124 -4.969 -7.437 -10.238 1025 HB3 LEU 124 3HB LEU 124 -5.845 -6.706 -8.905 1026 HD11 LEU 124 1HD1 LEU 124 -7.008 -8.749 -10.825 1027 HD12 LEU 124 2HD1 LEU 124 -8.525 -7.917 -11.163 1028 HD13 LEU 124 3HD1 LEU 124 -7.911 -7.994 -9.511 1029 HD21 LEU 124 3HD2 LEU 124 -7.203 -4.492 -10.659 1030 HD22 LEU 124 1HD2 LEU 124 -8.017 -5.423 -9.402 1031 HD23 LEU 124 2HD2 LEU 124 -8.644 -5.429 -11.051 1032 H TYR 125 H TYR 125 -2.375 -6.363 -10.088 1033 HA TYR 125 HA TYR 125 -1.619 -6.152 -7.403 1034 HD1 TYR 125 HD1 TYR 125 0.517 -7.537 -6.482 1035 HD2 TYR 125 HD2 TYR 125 -0.602 -8.657 -10.439 1036 HE1 TYR 125 HE1 TYR 125 0.641 -9.903 -5.840 1037 HE2 TYR 125 HE2 TYR 125 -0.482 -11.030 -9.799 1038 HH TYR 125 HH TYR 125 0.632 -12.430 -8.103 1039 HB2 TYR 125 2HB TYR 125 -0.105 -6.398 -9.970 1040 HB3 TYR 125 3HB TYR 125 0.795 -5.984 -8.517 1041 H LYS 126 H LYS 126 -0.824 -3.907 -10.081 1042 HA LYS 126 HA LYS 126 0.235 -1.928 -8.303 1043 HB2 LYS 126 2HB LYS 126 0.315 -0.456 -10.271 1044 HB3 LYS 126 3HB LYS 126 1.027 -2.031 -10.592 1045 HG2 LYS 126 2HG LYS 126 -1.009 -2.717 -11.764 1046 HG3 LYS 126 3HG LYS 126 -1.729 -1.139 -11.436 1047 HD2 LYS 126 2HD LYS 126 -0.816 -1.267 -13.717 1048 HD3 LYS 126 3HD LYS 126 0.014 -0.046 -12.750 1049 HE2 LYS 126 2HE LYS 126 1.848 -1.625 -12.338 1050 HE3 LYS 126 3HE LYS 126 1.018 -2.841 -13.307 1051 HZ1 LYS 126 3HZ LYS 126 2.016 -0.223 -14.298 1052 HZ2 LYS 126 1HZ LYS 126 1.206 -1.382 -15.230 1053 HZ3 LYS 126 2HZ LYS 126 2.726 -1.730 -14.584 1054 H ASP 127 H ASP 127 -2.968 -2.703 -9.331 1055 HA ASP 127 HA ASP 127 -4.186 -0.205 -8.657 1056 HB2 ASP 127 2HB ASP 127 -5.297 -1.925 -10.063 1057 HB3 ASP 127 3HB ASP 127 -5.393 -2.988 -8.665 1058 H MET 128 H MET 128 -3.522 -3.210 -6.873 1059 HA MET 128 HA MET 128 -4.577 -2.326 -4.380 1060 HB2 MET 128 2HB MET 128 -2.484 -4.429 -4.986 1061 HB3 MET 128 3HB MET 128 -3.211 -4.177 -3.406 1062 HG2 MET 128 2HG MET 128 -5.432 -4.661 -4.427 1063 HG3 MET 128 3HG MET 128 -4.594 -5.076 -5.921 1064 HE1 MET 128 3HE MET 128 -1.942 -6.526 -4.758 1065 HE2 MET 128 1HE MET 128 -2.878 -7.096 -6.140 1066 HE3 MET 128 2HE MET 128 -2.490 -8.202 -4.821 1067 H GLN 129 H GLN 129 -1.284 -2.338 -5.745 1068 HA GLN 129 HA GLN 129 0.066 -1.102 -3.641 1069 HB2 GLN 129 2HB GLN 129 1.361 -2.000 -5.417 1070 HB3 GLN 129 3HB GLN 129 0.495 -1.070 -6.628 1071 HG2 GLN 129 2HG GLN 129 2.062 0.407 -4.565 1072 HG3 GLN 129 3HG GLN 129 2.932 -0.416 -5.858 1073 HE21 GLN 129 1HE2 GLN 129 2.600 2.460 -5.260 1074 HE22 GLN 129 2HE2 GLN 129 1.958 3.153 -6.706 1075 H LYS 130 H LYS 130 -1.384 0.460 -6.500 1076 HA LYS 130 HA LYS 130 -1.037 3.116 -5.838 1077 HB2 LYS 130 2HB LYS 130 -1.847 2.534 -8.005 1078 HB3 LYS 130 3HB LYS 130 -3.254 1.719 -7.338 1079 HG2 LYS 130 2HG LYS 130 -4.198 3.850 -6.644 1080 HG3 LYS 130 3HG LYS 130 -2.755 4.693 -7.213 1081 HD2 LYS 130 2HD LYS 130 -4.646 4.824 -8.813 1082 HD3 LYS 130 3HD LYS 130 -3.218 4.048 -9.497 1083 HE2 LYS 130 2HE LYS 130 -5.209 2.826 -10.146 1084 HE3 LYS 130 3HE LYS 130 -4.237 1.838 -9.059 1085 HZ1 LYS 130 3HZ LYS 130 -6.687 3.362 -8.346 1086 HZ2 LYS 130 1HZ LYS 130 -5.731 2.508 -7.242 1087 HZ3 LYS 130 2HZ LYS 130 -6.542 1.679 -8.469 1088 H ASP 131 H ASP 131 -3.931 1.142 -5.122 1089 HA ASP 131 HA ASP 131 -5.319 3.125 -3.701 1090 HB2 ASP 131 2HB ASP 131 -6.251 0.973 -4.642 1091 HB3 ASP 131 3HB ASP 131 -5.547 0.143 -3.258 1092 H ALA 132 H ALA 132 -3.460 0.356 -2.408 1093 HA ALA 132 HA ALA 132 -3.753 0.851 0.295 1094 HB1 ALA 132 3HB ALA 132 -1.743 -0.502 0.630 1095 HB2 ALA 132 1HB ALA 132 -1.337 -0.332 -1.079 1096 HB3 ALA 132 2HB ALA 132 -2.790 -1.209 -0.601 1097 H VAL 133 H VAL 133 -1.158 2.080 -1.845 1098 HA VAL 133 HA VAL 133 0.235 3.382 0.254 1099 HB VAL 133 HB VAL 133 1.216 2.715 -1.963 1100 HG11 VAL 133 1HG1 VAL 133 1.086 4.306 -3.820 1101 HG12 VAL 133 2HG1 VAL 133 -0.114 5.245 -2.929 1102 HG13 VAL 133 3HG1 VAL 133 -0.488 3.600 -3.444 1103 HG21 VAL 133 3HG2 VAL 133 2.786 4.598 -2.046 1104 HG22 VAL 133 1HG2 VAL 133 2.445 4.098 -0.390 1105 HG23 VAL 133 2HG2 VAL 133 1.693 5.553 -1.045 1106 H GLN 134 H GLN 134 -2.501 4.372 -1.707 1107 HA GLN 134 HA GLN 134 -2.428 7.138 -0.889 1108 HB2 GLN 134 2HB GLN 134 -4.792 5.508 -1.867 1109 HB3 GLN 134 3HB GLN 134 -4.752 7.254 -1.699 1110 HG2 GLN 134 2HG GLN 134 -3.230 5.564 -3.665 1111 HG3 GLN 134 3HG GLN 134 -4.513 6.718 -4.004 1112 HE21 GLN 134 1HE2 GLN 134 -1.173 6.282 -3.326 1113 HE22 GLN 134 2HE2 GLN 134 -0.683 7.906 -3.624 1114 H GLN 135 H GLN 135 -4.021 4.194 0.255 1115 HA GLN 135 HA GLN 135 -5.678 5.251 2.238 1116 HB2 GLN 135 2HB GLN 135 -4.190 2.612 2.348 1117 HB3 GLN 135 3HB GLN 135 -5.646 3.025 3.245 1118 HG2 GLN 135 2HG GLN 135 -5.541 2.972 0.239 1119 HG3 GLN 135 3HG GLN 135 -5.942 1.559 1.208 1120 HE21 GLN 135 1HE2 GLN 135 -7.971 1.506 0.171 1121 HE22 GLN 135 2HE2 GLN 135 -9.234 2.582 0.646 1122 H ILE 136 H ILE 136 -2.290 4.198 2.482 1123 HA ILE 136 HA ILE 136 -1.816 4.700 5.181 1124 HB ILE 136 HB ILE 136 0.096 5.147 2.869 1125 HG12 ILE 136 2HG1 ILE 136 -0.324 2.691 4.604 1126 HG13 ILE 136 3HG1 ILE 136 -0.862 2.860 2.938 1127 HG21 ILE 136 1HG2 ILE 136 1.881 4.812 4.527 1128 HG22 ILE 136 2HG2 ILE 136 0.671 4.724 5.808 1129 HG23 ILE 136 3HG2 ILE 136 0.893 6.223 4.905 1130 HD11 ILE 136 3HD1 ILE 136 1.161 1.544 3.062 1131 HD12 ILE 136 1HD1 ILE 136 1.996 2.860 3.889 1132 HD13 ILE 136 2HD1 ILE 136 1.470 3.060 2.216 1133 H LEU 137 H LEU 137 -1.137 6.920 2.459 1134 HA LEU 137 HA LEU 137 -0.460 9.184 3.929 1135 HG LEU 137 HG LEU 137 -2.054 11.260 2.032 1136 HB2 LEU 137 2HB LEU 137 -0.063 9.029 1.553 1137 HB3 LEU 137 3HB LEU 137 -1.784 8.934 1.225 1138 HD11 LEU 137 1HD1 LEU 137 -0.168 11.346 3.581 1139 HD12 LEU 137 2HD1 LEU 137 -0.064 12.653 2.402 1140 HD13 LEU 137 3HD1 LEU 137 0.963 11.229 2.234 1141 HD21 LEU 137 3HD2 LEU 137 -1.746 10.845 -0.348 1142 HD22 LEU 137 1HD2 LEU 137 0.006 10.909 -0.153 1143 HD23 LEU 137 2HD2 LEU 137 -0.967 12.356 0.119 1144 H ARG 138 H ARG 138 -3.653 8.055 2.918 1145 HA ARG 138 HA ARG 138 -5.181 10.302 3.563 1146 HE ARG 138 HE ARG 138 -10.115 9.211 2.547 1147 HB2 ARG 138 2HB ARG 138 -5.933 8.269 2.304 1148 HB3 ARG 138 3HB ARG 138 -6.034 7.411 3.835 1149 HG2 ARG 138 2HG ARG 138 -7.717 9.078 4.597 1150 HG3 ARG 138 3HG ARG 138 -7.666 9.807 2.992 1151 HD2 ARG 138 2HD ARG 138 -8.334 7.595 2.039 1152 HD3 ARG 138 3HD ARG 138 -8.530 6.996 3.686 1153 HH11 ARG 138 1HH1 ARG 138 -9.843 6.443 4.577 1154 HH12 ARG 138 2HH1 ARG 138 -11.509 6.468 5.026 1155 HH21 ARG 138 1HH2 ARG 138 -12.238 9.238 3.117 1156 HH22 ARG 138 2HH2 ARG 138 -12.858 8.042 4.204 1157 H GLN 139 H GLN 139 -4.302 7.512 5.615 1158 HA GLN 139 HA GLN 139 -5.584 8.575 7.952 1159 HB2 GLN 139 2HB GLN 139 -5.205 6.151 7.637 1160 HB3 GLN 139 3HB GLN 139 -3.470 6.417 7.736 1161 HG2 GLN 139 2HG GLN 139 -4.266 5.568 9.840 1162 HG3 GLN 139 3HG GLN 139 -3.746 7.238 10.046 1163 HE21 GLN 139 1HE2 GLN 139 -4.989 7.533 11.875 1164 HE22 GLN 139 2HE2 GLN 139 -6.708 7.668 11.824 1165 H VAL 140 H VAL 140 -2.296 8.699 6.654 1166 HA VAL 140 HA VAL 140 -1.004 9.840 8.887 1167 HB VAL 140 HB VAL 140 -0.364 10.141 5.938 1168 HG11 VAL 140 1HG1 VAL 140 1.345 10.834 8.335 1169 HG12 VAL 140 2HG1 VAL 140 0.674 11.967 7.161 1170 HG13 VAL 140 3HG1 VAL 140 1.898 10.803 6.659 1171 HG21 VAL 140 3HG2 VAL 140 1.340 8.428 6.384 1172 HG22 VAL 140 1HG2 VAL 140 -0.283 7.836 6.734 1173 HG23 VAL 140 2HG2 VAL 140 0.784 8.311 8.053 1174 H SER 141 H SER 141 -3.132 11.257 6.518 1175 HA SER 141 HA SER 141 -2.591 13.960 7.543 1176 HG SER 141 HG SER 141 -4.114 12.126 4.669 1177 HB2 SER 141 2HB SER 141 -4.086 14.731 5.719 1178 HB3 SER 141 3HB SER 141 -2.753 13.751 5.109 1179 H ALA 142 H ALA 142 -4.406 11.443 8.547 1180 HA ALA 142 HA ALA 142 -6.599 13.178 9.515 1181 HB1 ALA 142 3HB ALA 142 -7.422 11.705 7.759 1182 HB2 ALA 142 1HB ALA 142 -8.137 11.286 9.316 1183 HB3 ALA 142 2HB ALA 142 -6.837 10.298 8.647 1184 H PHE 143 H PHE 143 -3.960 11.565 10.581 1185 HA PHE 143 HA PHE 143 -4.811 9.901 12.649 1186 HD1 PHE 143 HD2 PHE 143 -1.784 12.008 10.564 1187 HD2 PHE 143 HD1 PHE 143 -2.086 12.225 14.803 1188 HE1 PHE 143 HE2 PHE 143 -0.504 14.108 10.544 1189 HE2 PHE 143 HE1 PHE 143 -0.805 14.325 14.789 1190 HZ PHE 143 HZ PHE 143 -0.010 15.270 12.657 1191 HB2 PHE 143 2HB PHE 143 -2.603 10.167 13.620 1192 HB3 PHE 143 3HB PHE 143 -2.467 10.070 11.870 1193 H THR 144 H THR 144 -4.955 13.340 12.483 1194 HA THR 144 HA THR 144 -4.979 13.791 15.343 1195 HB THR 144 HB THR 144 -4.054 15.489 13.814 1196 HG1 THR 144 HG1 THR 144 -4.883 16.173 15.838 1197 HG21 THR 144 3HG2 THR 144 -5.521 16.876 12.444 1198 HG22 THR 144 1HG2 THR 144 -6.913 15.899 12.919 1199 HG23 THR 144 2HG2 THR 144 -5.627 15.187 11.943 1200 H SER 145 H SER 145 -7.308 12.717 13.158 1201 HA SER 145 HA SER 145 -9.429 13.101 15.100 1202 HG SER 145 HG SER 145 -11.735 15.033 13.558 1203 HB2 SER 145 2HB SER 145 -9.628 15.187 13.852 1204 HB3 SER 145 3HB SER 145 -9.663 14.306 12.327 1205 H ALA 146 H ALA 146 -9.897 10.980 15.290 1206 HA ALA 146 HA ALA 146 -9.933 9.184 13.027 1207 HB1 ALA 146 3HB ALA 146 -10.738 8.687 15.893 1208 HB2 ALA 146 1HB ALA 146 -9.115 8.482 15.233 1209 HB3 ALA 146 2HB ALA 146 -10.435 7.459 14.664 1210 H GLY 147 H GLY 147 -12.088 11.439 13.565 1211 HA2 GLY 147 2HA GLY 147 -14.265 11.701 12.842 1212 HA3 GLY 147 3HA GLY 147 -14.245 10.023 12.323 1213 H LEU 148 H LEU 148 -13.575 11.012 15.620 1214 HA LEU 148 HA LEU 148 -15.393 9.229 16.783 1215 HG LEU 148 HG LEU 148 -15.999 10.792 19.417 1216 HB2 LEU 148 2HB LEU 148 -13.429 10.167 17.943 1217 HB3 LEU 148 3HB LEU 148 -14.201 11.741 17.979 1218 HD11 LEU 148 1HD1 LEU 148 -14.253 8.326 19.449 1219 HD12 LEU 148 2HD1 LEU 148 -15.852 8.461 18.716 1220 HD13 LEU 148 3HD1 LEU 148 -15.670 8.605 20.464 1221 HD21 LEU 148 3HD2 LEU 148 -13.182 10.480 20.459 1222 HD22 LEU 148 1HD2 LEU 148 -14.632 10.603 21.458 1223 HD23 LEU 148 2HD2 LEU 148 -14.141 11.960 20.445 1224 H GLU 149 H GLU 149 -15.851 12.505 15.667 1225 HA GLU 149 HA GLU 149 -18.230 13.112 17.066 1226 HB2 GLU 149 2HB GLU 149 -17.170 14.146 14.428 1227 HB3 GLU 149 3HB GLU 149 -18.568 14.820 15.255 1228 HG2 GLU 149 2HG GLU 149 -15.748 14.730 16.327 1229 HG3 GLU 149 3HG GLU 149 -16.562 16.144 15.660 1230 H HIS 150 H HIS 150 -17.719 11.726 13.808 1231 HA HIS 150 HA HIS 150 -20.548 11.472 13.330 1232 HD1 HIS 150 HD1 HIS 150 -19.486 8.461 10.382 1233 HD2 HIS 150 HD2 HIS 150 -21.666 11.988 10.706 1234 HE1 HIS 150 HE1 HIS 150 -21.480 8.162 8.885 1235 HE2 HIS 150 HE2 HIS 150 -22.789 10.303 9.099 1236 HB2 HIS 150 2HB HIS 150 -18.831 11.839 11.519 1237 HB3 HIS 150 3HB HIS 150 -18.303 10.178 11.764 1238 H HIS 151 H HIS 151 -17.900 9.142 13.901 1239 HA HIS 151 HA HIS 151 -19.930 7.150 14.702 1240 HD1 HIS 151 HD1 HIS 151 -16.313 4.714 15.230 1241 HD2 HIS 151 HD2 HIS 151 -20.202 4.290 13.837 1242 HE1 HIS 151 HE1 HIS 151 -17.001 2.387 15.865 1243 HE2 HIS 151 HE2 HIS 151 -19.408 2.221 15.170 1244 HB2 HIS 151 2HB HIS 151 -18.440 6.440 12.851 1245 HB3 HIS 151 3HB HIS 151 -17.043 6.688 13.893 1246 H HIS 152 H HIS 152 -20.185 8.082 16.784 1247 HA HIS 152 HA HIS 152 -17.928 8.493 18.519 1248 HD1 HIS 152 HD1 HIS 152 -21.114 8.227 21.617 1249 HD2 HIS 152 HD2 HIS 152 -17.797 10.512 20.601 1250 HE1 HIS 152 HE1 HIS 152 -20.126 8.986 23.798 1251 HE2 HIS 152 HE2 HIS 152 -18.190 10.456 23.156 1252 HB2 HIS 152 2HB HIS 152 -19.957 9.898 18.654 1253 HB3 HIS 152 3HB HIS 152 -20.893 8.497 19.161 1254 H HIS 153 H HIS 153 -16.978 6.383 18.509 1255 HA HIS 153 HA HIS 153 -18.381 4.104 19.494 1256 HD1 HIS 153 HD1 HIS 153 -14.613 5.323 17.249 1257 HD2 HIS 153 HD2 HIS 153 -14.371 4.498 21.313 1258 HE1 HIS 153 HE1 HIS 153 -12.443 6.319 18.009 1259 HE2 HIS 153 HE2 HIS 153 -12.226 5.625 20.415 1260 HB2 HIS 153 2HB HIS 153 -16.188 2.994 19.521 1261 HB3 HIS 153 3HB HIS 153 -16.462 3.841 18.006 1262 H HIS 154 H HIS 154 -18.558 3.285 21.525 1263 HA HIS 154 HA HIS 154 -17.803 4.919 23.783 1264 HD1 HIS 154 HD1 HIS 154 -20.796 4.050 26.007 1265 HD2 HIS 154 HD2 HIS 154 -20.709 4.207 21.859 1266 HE1 HIS 154 HE1 HIS 154 -22.910 5.217 25.337 1267 HE2 HIS 154 HE2 HIS 154 -22.925 5.117 22.825 1268 HB2 HIS 154 2HB HIS 154 -19.099 2.189 23.584 1269 HB3 HIS 154 3HB HIS 154 -18.769 2.992 25.116 1270 H HIS 155 H HIS 155 -16.576 2.062 22.202 1271 HA HIS 155 HA HIS 155 -14.578 1.589 24.295 1272 HD1 HIS 155 HD1 HIS 155 -13.726 -1.046 25.086 1273 HD2 HIS 155 HD2 HIS 155 -12.946 -1.103 21.004 1274 HE1 HIS 155 HE1 HIS 155 -11.633 -2.393 24.821 1275 HE2 HIS 155 HE2 HIS 155 -11.087 -2.270 22.371 1276 HB2 HIS 155 2HB HIS 155 -15.766 -0.361 23.473 1277 HB3 HIS 155 3HB HIS 155 -15.314 0.011 21.815 Start of MODEL 17 1 HA MET 1 HA MET 1 -3.775 33.585 5.203 2 H1 MET 1 1H MET 1 -5.238 33.146 3.346 3 H2 MET 1 2H MET 1 -4.153 34.390 2.979 4 H3 MET 1 3H MET 1 -5.764 34.755 3.344 5 HB2 MET 1 2HB MET 1 -4.962 36.363 5.007 6 HB3 MET 1 3HB MET 1 -4.076 35.785 6.412 7 HG2 MET 1 2HG MET 1 -2.095 35.436 5.009 8 HG3 MET 1 3HG MET 1 -2.986 36.040 3.614 9 HE1 MET 1 3HE MET 1 -3.114 37.341 7.335 10 HE2 MET 1 1HE MET 1 -1.895 38.613 7.290 11 HE3 MET 1 2HE MET 1 -1.416 36.928 7.102 12 H GLY 2 H GLY 2 -7.131 34.605 4.684 13 HA2 GLY 2 2HA GLY 2 -8.036 34.344 7.339 14 HA3 GLY 2 3HA GLY 2 -9.045 34.271 5.905 15 H PHE 3 H PHE 3 -8.220 31.988 4.661 16 HA PHE 3 HA PHE 3 -8.882 29.898 6.641 17 HD1 PHE 3 HD1 PHE 3 -11.458 28.999 6.672 18 HD2 PHE 3 HD2 PHE 3 -10.994 31.817 3.508 19 HE1 PHE 3 HE1 PHE 3 -13.620 30.017 7.263 20 HE2 PHE 3 HE2 PHE 3 -13.154 32.833 4.098 21 HZ PHE 3 HZ PHE 3 -14.468 31.934 5.975 22 HB2 PHE 3 2HB PHE 3 -9.501 30.005 3.679 23 HB3 PHE 3 3HB PHE 3 -9.860 28.638 4.731 24 H LYS 4 H LYS 4 -8.094 27.683 6.091 25 HA LYS 4 HA LYS 4 -5.304 27.857 5.144 26 HB2 LYS 4 2HB LYS 4 -6.583 25.818 6.980 27 HB3 LYS 4 3HB LYS 4 -4.882 25.874 6.532 28 HG2 LYS 4 2HG LYS 4 -4.699 28.093 7.606 29 HG3 LYS 4 3HG LYS 4 -6.384 27.961 8.114 30 HD2 LYS 4 2HD LYS 4 -5.817 25.923 9.391 31 HD3 LYS 4 3HD LYS 4 -4.128 26.109 8.912 32 HE2 LYS 4 2HE LYS 4 -4.457 26.985 11.149 33 HE3 LYS 4 3HE LYS 4 -4.065 28.298 10.041 34 HZ1 LYS 4 3HZ LYS 4 -5.852 28.948 11.490 35 HZ2 LYS 4 1HZ LYS 4 -6.770 27.595 11.052 36 HZ3 LYS 4 2HZ LYS 4 -6.451 28.808 9.917 37 H LEU 5 H LEU 5 -7.890 27.296 3.583 38 HA LEU 5 HA LEU 5 -7.537 24.626 2.555 39 HG LEU 5 HG LEU 5 -11.150 25.479 2.125 40 HB2 LEU 5 2HB LEU 5 -9.221 26.959 1.633 41 HB3 LEU 5 3HB LEU 5 -9.169 25.436 0.772 42 HD11 LEU 5 1HD1 LEU 5 -10.011 23.328 1.939 43 HD12 LEU 5 2HD1 LEU 5 -10.853 23.481 3.479 44 HD13 LEU 5 3HD1 LEU 5 -9.101 23.674 3.411 45 HD21 LEU 5 3HD2 LEU 5 -10.471 27.154 3.762 46 HD22 LEU 5 1HD2 LEU 5 -9.356 26.001 4.496 47 HD23 LEU 5 2HD2 LEU 5 -11.094 25.709 4.558 48 H ARG 6 H ARG 6 -6.891 24.096 0.363 49 HA ARG 6 HA ARG 6 -5.090 26.087 -0.871 50 HE ARG 6 HE ARG 6 -1.773 24.820 1.274 51 HB2 ARG 6 2HB ARG 6 -4.016 24.221 0.630 52 HB3 ARG 6 3HB ARG 6 -4.323 23.185 -0.755 53 HG2 ARG 6 2HG ARG 6 -2.107 23.912 -1.005 54 HG3 ARG 6 3HG ARG 6 -3.037 24.904 -2.132 55 HD2 ARG 6 2HD ARG 6 -1.406 26.247 -0.883 56 HD3 ARG 6 3HD ARG 6 -3.062 26.738 -0.514 57 HH11 ARG 6 1HH1 ARG 6 -2.860 28.050 0.730 58 HH12 ARG 6 2HH1 ARG 6 -2.776 28.466 2.406 59 HH21 ARG 6 1HH2 ARG 6 -1.700 25.377 3.410 60 HH22 ARG 6 2HH2 ARG 6 -2.142 26.976 3.899 61 H GLY 7 H GLY 7 -4.474 25.564 -3.124 62 HA2 GLY 7 2HA GLY 7 -6.693 24.352 -4.596 63 HA3 GLY 7 3HA GLY 7 -5.389 25.309 -5.278 64 H GLN 8 H GLN 8 -4.113 23.031 -3.187 65 HA GLN 8 HA GLN 8 -3.070 21.416 -5.344 66 HB2 GLN 8 2HB GLN 8 -2.708 21.154 -2.347 67 HB3 GLN 8 3HB GLN 8 -1.801 20.267 -3.564 68 HG2 GLN 8 2HG GLN 8 -1.771 23.260 -3.188 69 HG3 GLN 8 3HG GLN 8 -0.524 22.139 -2.642 70 HE21 GLN 8 1HE2 GLN 8 -1.934 23.741 -5.380 71 HE22 GLN 8 2HE2 GLN 8 -0.689 23.332 -6.507 72 H VAL 9 H VAL 9 -3.082 18.976 -5.153 73 HA VAL 9 HA VAL 9 -5.779 18.030 -4.955 74 HB VAL 9 HB VAL 9 -4.198 17.135 -6.624 75 HG11 VAL 9 1HG1 VAL 9 -2.163 17.119 -5.279 76 HG12 VAL 9 2HG1 VAL 9 -2.468 15.530 -5.980 77 HG13 VAL 9 3HG1 VAL 9 -2.821 15.824 -4.278 78 HG21 VAL 9 3HG2 VAL 9 -4.812 14.775 -6.406 79 HG22 VAL 9 1HG2 VAL 9 -6.168 15.826 -5.996 80 HG23 VAL 9 2HG2 VAL 9 -5.246 15.036 -4.715 81 H SER 10 H SER 10 -3.003 17.970 -2.819 82 HA SER 10 HA SER 10 -4.620 17.348 -0.556 83 HG SER 10 HG SER 10 -3.353 14.136 0.445 84 HB2 SER 10 2HB SER 10 -4.419 15.052 -1.403 85 HB3 SER 10 3HB SER 10 -2.664 15.202 -1.447 86 H GLU 11 H GLU 11 -3.569 17.807 1.407 87 HA GLU 11 HA GLU 11 -0.675 18.277 1.353 88 HB2 GLU 11 2HB GLU 11 -2.706 20.343 2.208 89 HB3 GLU 11 3HB GLU 11 -1.024 20.399 2.712 90 HG2 GLU 11 2HG GLU 11 -0.422 20.433 0.254 91 HG3 GLU 11 3HG GLU 11 -2.137 20.704 -0.065 92 H LEU 12 H LEU 12 0.076 18.925 3.613 93 HA LEU 12 HA LEU 12 -1.486 18.041 5.859 94 HG LEU 12 HG LEU 12 0.367 16.093 3.517 95 HB2 LEU 12 2HB LEU 12 0.669 16.548 6.494 96 HB3 LEU 12 3HB LEU 12 -0.759 15.898 5.720 97 HD11 LEU 12 1HD1 LEU 12 1.919 17.903 4.022 98 HD12 LEU 12 2HD1 LEU 12 2.760 16.490 3.395 99 HD13 LEU 12 3HD1 LEU 12 2.808 16.846 5.122 100 HD21 LEU 12 3HD2 LEU 12 1.918 14.218 3.842 101 HD22 LEU 12 1HD2 LEU 12 0.403 13.982 4.712 102 HD23 LEU 12 2HD2 LEU 12 1.853 14.474 5.588 103 HA PRO 13 HA PRO 13 0.685 21.374 7.696 104 HB2 PRO 13 2HB PRO 13 0.796 20.629 10.332 105 HB3 PRO 13 3HB PRO 13 -0.671 21.203 9.531 106 HG2 PRO 13 2HG PRO 13 0.210 18.383 10.066 107 HG3 PRO 13 3HG PRO 13 -1.388 19.117 10.302 108 HD2 PRO 13 2HD PRO 13 -0.857 17.599 8.155 109 HD3 PRO 13 3HD PRO 13 -1.902 19.031 8.033 110 H PHE 14 H PHE 14 2.050 18.211 8.006 111 HA PHE 14 HA PHE 14 4.678 19.347 8.695 112 HD1 PHE 14 HD1 PHE 14 1.817 17.244 10.457 113 HD2 PHE 14 HD2 PHE 14 4.364 15.027 7.862 114 HE1 PHE 14 HE1 PHE 14 0.092 15.501 10.253 115 HE2 PHE 14 HE2 PHE 14 2.643 13.285 7.652 116 HZ PHE 14 HZ PHE 14 0.502 13.522 8.847 117 HB2 PHE 14 2HB PHE 14 5.237 16.863 9.163 118 HB3 PHE 14 3HB PHE 14 4.223 17.721 10.316 119 H GLU 15 H GLU 15 5.518 19.943 6.744 120 HA GLU 15 HA GLU 15 5.230 18.280 4.407 121 HB2 GLU 15 2HB GLU 15 6.598 19.993 3.267 122 HB3 GLU 15 3HB GLU 15 5.217 20.677 4.106 123 HG2 GLU 15 2HG GLU 15 6.647 21.436 5.913 124 HG3 GLU 15 3HG GLU 15 8.045 20.677 5.154 125 H ARG 16 H ARG 16 7.895 19.082 6.624 126 HA ARG 16 HA ARG 16 9.749 17.381 5.204 127 HE ARG 16 HE ARG 16 12.867 19.875 4.093 128 HB2 ARG 16 2HB ARG 16 9.884 19.278 7.425 129 HB3 ARG 16 3HB ARG 16 10.860 17.846 7.709 130 HG2 ARG 16 2HG ARG 16 12.181 19.592 6.672 131 HG3 ARG 16 3HG ARG 16 12.028 18.205 5.595 132 HD2 ARG 16 2HD ARG 16 10.203 19.412 4.394 133 HD3 ARG 16 3HD ARG 16 10.516 20.818 5.415 134 HH11 ARG 16 1HH1 ARG 16 10.041 21.815 3.620 135 HH12 ARG 16 2HH1 ARG 16 10.792 22.756 2.384 136 HH21 ARG 16 1HH2 ARG 16 13.769 21.061 2.497 137 HH22 ARG 16 2HH2 ARG 16 12.866 22.324 1.733 138 H VAL 17 H VAL 17 9.168 15.277 5.177 139 HA VAL 17 HA VAL 17 8.630 13.949 7.769 140 HB VAL 17 HB VAL 17 7.259 12.295 6.555 141 HG11 VAL 17 1HG1 VAL 17 6.378 15.156 6.146 142 HG12 VAL 17 2HG1 VAL 17 6.156 14.191 7.606 143 HG13 VAL 17 3HG1 VAL 17 5.321 13.743 6.119 144 HG21 VAL 17 3HG2 VAL 17 8.284 12.451 4.346 145 HG22 VAL 17 1HG2 VAL 17 7.673 14.095 4.158 146 HG23 VAL 17 2HG2 VAL 17 6.547 12.738 4.238 147 H TYR 18 H TYR 18 9.466 11.875 8.114 148 HA TYR 18 HA TYR 18 11.648 11.061 6.293 149 HD1 TYR 18 HD1 TYR 18 14.270 10.742 6.910 150 HD2 TYR 18 HD2 TYR 18 12.115 8.527 9.843 151 HE1 TYR 18 HE1 TYR 18 16.012 9.006 6.876 152 HE2 TYR 18 HE2 TYR 18 13.853 6.787 9.814 153 HH TYR 18 HH TYR 18 16.884 7.237 8.353 154 HB2 TYR 18 2HB TYR 18 12.487 11.799 8.458 155 HB3 TYR 18 3HB TYR 18 11.394 10.701 9.289 156 H ILE 19 H ILE 19 11.880 8.889 5.765 157 HA ILE 19 HA ILE 19 9.606 7.131 6.461 158 HB ILE 19 HB ILE 19 9.505 7.732 4.120 159 HG12 ILE 19 2HG1 ILE 19 10.533 4.903 4.502 160 HG13 ILE 19 3HG1 ILE 19 8.865 5.438 4.659 161 HG21 ILE 19 1HG2 ILE 19 11.813 8.395 3.759 162 HG22 ILE 19 2HG2 ILE 19 11.326 7.210 2.549 163 HG23 ILE 19 3HG2 ILE 19 12.342 6.718 3.904 164 HD11 ILE 19 3HD1 ILE 19 8.826 5.981 2.273 165 HD12 ILE 19 1HD1 ILE 19 9.211 4.286 2.565 166 HD13 ILE 19 2HD1 ILE 19 10.491 5.416 2.124 167 H THR 20 H THR 20 10.019 4.987 7.001 168 HA THR 20 HA THR 20 12.779 4.004 6.833 169 HB THR 20 HB THR 20 12.797 4.782 9.074 170 HG1 THR 20 HG1 THR 20 13.554 2.582 8.727 171 HG21 THR 20 3HG2 THR 20 11.099 4.166 10.747 172 HG22 THR 20 1HG2 THR 20 10.160 3.363 9.489 173 HG23 THR 20 2HG2 THR 20 10.404 5.109 9.429 174 H ALA 21 H ALA 21 12.793 2.102 5.882 175 HA ALA 21 HA ALA 21 10.553 0.221 6.327 176 HB1 ALA 21 3HB ALA 21 10.739 -0.487 3.981 177 HB2 ALA 21 1HB ALA 21 11.978 0.739 3.708 178 HB3 ALA 21 2HB ALA 21 10.329 1.223 4.110 179 HA PRO 22 HA PRO 22 13.616 -2.646 7.693 180 HB2 PRO 22 2HB PRO 22 12.538 -5.022 6.772 181 HB3 PRO 22 3HB PRO 22 12.014 -4.176 8.232 182 HG2 PRO 22 2HG PRO 22 10.815 -4.131 5.485 183 HG3 PRO 22 3HG PRO 22 10.002 -4.230 7.059 184 HD2 PRO 22 2HD PRO 22 10.115 -1.924 5.707 185 HD3 PRO 22 3HD PRO 22 10.262 -1.954 7.477 186 H ALA 23 H ALA 23 12.872 -2.443 4.308 187 HA ALA 23 HA ALA 23 15.587 -3.078 3.585 188 HB1 ALA 23 3HB ALA 23 14.604 -5.333 3.797 189 HB2 ALA 23 1HB ALA 23 15.117 -4.971 2.148 190 HB3 ALA 23 2HB ALA 23 13.407 -4.906 2.573 191 H GLY 24 H GLY 24 13.422 -0.951 3.228 192 HA2 GLY 24 2HA GLY 24 12.624 0.475 1.602 193 HA3 GLY 24 3HA GLY 24 14.090 0.051 0.734 194 H LEU 25 H LEU 25 10.980 -1.552 1.488 195 HA LEU 25 HA LEU 25 11.018 -3.061 -0.947 196 HG LEU 25 HG LEU 25 10.772 -4.938 0.765 197 HB2 LEU 25 2HB LEU 25 8.799 -2.667 1.073 198 HB3 LEU 25 3HB LEU 25 8.745 -3.799 -0.262 199 HD11 LEU 25 1HD1 LEU 25 11.555 -3.165 2.213 200 HD12 LEU 25 2HD1 LEU 25 11.141 -4.585 3.171 201 HD13 LEU 25 3HD1 LEU 25 10.044 -3.202 3.124 202 HD21 LEU 25 3HD2 LEU 25 8.224 -4.904 2.383 203 HD22 LEU 25 1HD2 LEU 25 9.444 -6.180 2.385 204 HD23 LEU 25 2HD2 LEU 25 8.510 -5.854 0.924 205 H THR 26 H THR 26 8.874 -3.118 -2.270 206 HA THR 26 HA THR 26 8.598 -0.872 -3.855 207 HB THR 26 HB THR 26 6.437 -1.812 -4.623 208 HG1 THR 26 HG1 THR 26 5.388 -3.298 -3.455 209 HG21 THR 26 3HG2 THR 26 8.577 -3.905 -4.169 210 HG22 THR 26 1HG2 THR 26 8.516 -2.763 -5.512 211 HG23 THR 26 2HG2 THR 26 7.275 -4.007 -5.356 212 H ILE 27 H ILE 27 6.539 -1.846 -1.134 213 HA ILE 27 HA ILE 27 4.667 0.172 -1.103 214 HB ILE 27 HB ILE 27 4.636 -1.789 0.397 215 HG12 ILE 27 2HG1 ILE 27 3.843 -0.592 2.476 216 HG13 ILE 27 3HG1 ILE 27 4.417 0.910 1.760 217 HG21 ILE 27 1HG2 ILE 27 6.987 -1.823 1.043 218 HG22 ILE 27 2HG2 ILE 27 5.940 -1.831 2.463 219 HG23 ILE 27 3HG2 ILE 27 6.765 -0.346 1.981 220 HD11 ILE 27 3HD1 ILE 27 2.032 0.656 1.448 221 HD12 ILE 27 1HD1 ILE 27 2.279 -0.891 0.637 222 HD13 ILE 27 2HD1 ILE 27 2.861 0.599 -0.107 223 H GLY 28 H GLY 28 8.020 0.338 -0.014 224 HA2 GLY 28 2HA GLY 28 7.746 2.962 1.187 225 HA3 GLY 28 3HA GLY 28 9.242 2.075 0.938 226 H SER 29 H SER 29 9.102 1.657 -1.832 227 HA SER 29 HA SER 29 10.161 4.023 -2.891 228 HG SER 29 HG SER 29 10.949 2.895 -5.667 229 HB2 SER 29 2HB SER 29 10.620 1.829 -3.897 230 HB3 SER 29 3HB SER 29 8.931 1.681 -4.378 231 H ASP 30 H ASP 30 6.956 2.566 -3.535 232 HA ASP 30 HA ASP 30 5.911 4.737 -4.990 233 HB2 ASP 30 2HB ASP 30 4.631 2.470 -3.473 234 HB3 ASP 30 3HB ASP 30 3.652 3.714 -4.247 235 H LEU 31 H LEU 31 6.037 4.121 -1.514 236 HA LEU 31 HA LEU 31 4.227 6.059 -0.634 237 HG LEU 31 HG LEU 31 5.812 7.148 1.849 238 HB2 LEU 31 2HB LEU 31 5.261 4.356 0.820 239 HB3 LEU 31 3HB LEU 31 6.797 5.193 0.701 240 HD11 LEU 31 1HD1 LEU 31 3.364 5.402 2.139 241 HD12 LEU 31 2HD1 LEU 31 3.487 6.865 1.160 242 HD13 LEU 31 3HD1 LEU 31 3.619 6.967 2.915 243 HD21 LEU 31 3HD2 LEU 31 6.976 5.430 3.138 244 HD22 LEU 31 1HD2 LEU 31 5.465 4.541 3.329 245 HD23 LEU 31 2HD2 LEU 31 5.653 6.134 4.064 246 H GLU 32 H GLU 32 7.757 6.398 -1.037 247 HA GLU 32 HA GLU 32 7.972 9.120 -0.477 248 HB2 GLU 32 2HB GLU 32 9.595 7.472 -2.433 249 HB3 GLU 32 3HB GLU 32 10.066 9.040 -1.793 250 HG2 GLU 32 2HG GLU 32 10.170 8.121 0.456 251 HG3 GLU 32 3HG GLU 32 9.642 6.549 -0.147 252 H ARG 33 H ARG 33 7.260 7.512 -3.548 253 HA ARG 33 HA ARG 33 7.389 9.856 -5.154 254 HE ARG 33 HE ARG 33 10.141 6.088 -6.901 255 HB2 ARG 33 2HB ARG 33 6.042 7.198 -5.685 256 HB3 ARG 33 3HB ARG 33 6.344 8.442 -6.894 257 HG2 ARG 33 2HG ARG 33 8.745 8.215 -6.565 258 HG3 ARG 33 3HG ARG 33 8.474 7.016 -5.302 259 HD2 ARG 33 2HD ARG 33 7.428 5.526 -6.955 260 HD3 ARG 33 3HD ARG 33 7.724 6.727 -8.215 261 HH11 ARG 33 1HH1 ARG 33 7.867 4.717 -9.092 262 HH12 ARG 33 2HH1 ARG 33 9.051 3.751 -9.896 263 HH21 ARG 33 1HH2 ARG 33 11.657 4.835 -7.928 264 HH22 ARG 33 2HH2 ARG 33 11.180 3.827 -9.252 265 H VAL 34 H VAL 34 4.573 8.020 -3.889 266 HA VAL 34 HA VAL 34 2.574 9.704 -4.893 267 HB VAL 34 HB VAL 34 2.570 7.991 -2.394 268 HG11 VAL 34 1HG1 VAL 34 0.103 8.176 -2.455 269 HG12 VAL 34 2HG1 VAL 34 0.240 9.381 -3.735 270 HG13 VAL 34 3HG1 VAL 34 0.882 9.724 -2.130 271 HG21 VAL 34 3HG2 VAL 34 2.825 6.724 -4.459 272 HG22 VAL 34 1HG2 VAL 34 1.426 7.542 -5.160 273 HG23 VAL 34 2HG2 VAL 34 1.215 6.460 -3.783 274 H ILE 35 H ILE 35 4.298 9.855 -1.771 275 HA ILE 35 HA ILE 35 2.935 12.080 -0.715 276 HB ILE 35 HB ILE 35 5.757 11.105 -0.230 277 HG12 ILE 35 2HG1 ILE 35 3.210 10.810 1.393 278 HG13 ILE 35 3HG1 ILE 35 3.966 9.543 0.433 279 HG21 ILE 35 1HG2 ILE 35 5.665 13.461 0.338 280 HG22 ILE 35 2HG2 ILE 35 5.742 12.494 1.809 281 HG23 ILE 35 3HG2 ILE 35 4.208 13.201 1.298 282 HD11 ILE 35 3HD1 ILE 35 4.441 9.267 2.792 283 HD12 ILE 35 1HD1 ILE 35 5.160 10.877 2.856 284 HD13 ILE 35 2HD1 ILE 35 5.921 9.608 1.894 285 H SER 36 H SER 36 6.075 11.998 -2.451 286 HA SER 36 HA SER 36 6.528 14.784 -2.331 287 HG SER 36 HG SER 36 7.860 11.695 -4.211 288 HB2 SER 36 2HB SER 36 8.303 14.391 -3.972 289 HB3 SER 36 3HB SER 36 8.314 13.130 -2.741 290 H THR 37 H THR 37 4.664 12.884 -4.605 291 HA THR 37 HA THR 37 4.522 15.093 -6.526 292 HB THR 37 HB THR 37 3.224 13.539 -7.946 293 HG1 THR 37 HG1 THR 37 3.780 11.311 -6.435 294 HG21 THR 37 3HG2 THR 37 5.651 13.556 -8.173 295 HG22 THR 37 1HG2 THR 37 5.038 11.914 -8.379 296 HG23 THR 37 2HG2 THR 37 5.806 12.385 -6.862 297 H HIS 38 H HIS 38 2.365 13.338 -4.303 298 HA HIS 38 HA HIS 38 0.053 14.815 -5.310 299 HD1 HIS 38 HD1 HIS 38 -2.443 12.592 -5.781 300 HD2 HIS 38 HD2 HIS 38 1.419 11.076 -5.591 301 HE1 HIS 38 HE1 HIS 38 -2.294 10.907 -7.633 302 HE2 HIS 38 HE2 HIS 38 -0.004 9.894 -7.400 303 HB2 HIS 38 2HB HIS 38 0.288 12.534 -3.348 304 HB3 HIS 38 3HB HIS 38 -1.234 13.331 -3.722 305 H THR 39 H THR 39 2.301 15.384 -2.824 306 HA THR 39 HA THR 39 0.308 17.090 -1.458 307 HB THR 39 HB THR 39 1.086 16.577 0.736 308 HG1 THR 39 HG1 THR 39 2.950 14.745 -0.394 309 HG21 THR 39 3HG2 THR 39 -0.575 15.015 -0.140 310 HG22 THR 39 1HG2 THR 39 0.532 14.204 0.969 311 HG23 THR 39 2HG2 THR 39 0.713 13.987 -0.773 312 H ARG 40 H ARG 40 1.562 18.397 0.326 313 HA ARG 40 HA ARG 40 3.390 20.159 -1.039 314 HE ARG 40 HE ARG 40 4.541 24.429 -0.022 315 HB2 ARG 40 2HB ARG 40 1.525 20.877 0.485 316 HB3 ARG 40 3HB ARG 40 2.412 20.182 1.829 317 HG2 ARG 40 2HG ARG 40 2.824 22.480 1.929 318 HG3 ARG 40 3HG ARG 40 4.291 21.785 1.238 319 HD2 ARG 40 2HD ARG 40 3.674 22.493 -0.964 320 HD3 ARG 40 3HD ARG 40 2.061 22.966 -0.421 321 HH11 ARG 40 1HH1 ARG 40 1.170 24.130 0.685 322 HH12 ARG 40 2HH1 ARG 40 1.058 25.743 1.302 323 HH21 ARG 40 1HH2 ARG 40 4.357 26.496 0.740 324 HH22 ARG 40 2HH2 ARG 40 2.836 27.065 1.333 325 H ALA 41 H ALA 41 3.872 17.297 0.544 326 HA ALA 41 HA ALA 41 5.885 18.006 2.448 327 HB1 ALA 41 3HB ALA 41 5.100 15.297 1.396 328 HB2 ALA 41 1HB ALA 41 4.410 16.107 2.799 329 HB3 ALA 41 2HB ALA 41 6.100 15.605 2.816 330 H LYS 42 H LYS 42 7.954 16.719 2.506 331 HA LYS 42 HA LYS 42 9.293 16.346 -0.058 332 HB2 LYS 42 2HB LYS 42 9.652 18.732 0.502 333 HB3 LYS 42 3HB LYS 42 10.296 18.268 2.069 334 HG2 LYS 42 2HG LYS 42 12.120 18.820 0.619 335 HG3 LYS 42 3HG LYS 42 12.142 17.081 0.914 336 HD2 LYS 42 2HD LYS 42 12.588 17.517 -1.425 337 HD3 LYS 42 3HD LYS 42 11.021 16.721 -1.262 338 HE2 LYS 42 2HE LYS 42 10.908 18.530 -2.889 339 HE3 LYS 42 3HE LYS 42 9.900 18.893 -1.492 340 HZ1 LYS 42 3HZ LYS 42 12.645 19.957 -1.892 341 HZ2 LYS 42 1HZ LYS 42 11.559 20.389 -0.670 342 HZ3 LYS 42 2HZ LYS 42 11.231 20.795 -2.276 343 H VAL 43 H VAL 43 9.994 14.291 0.202 344 HA VAL 43 HA VAL 43 10.385 13.065 2.732 345 HB VAL 43 HB VAL 43 11.264 12.078 0.004 346 HG11 VAL 43 1HG1 VAL 43 12.421 10.892 1.787 347 HG12 VAL 43 2HG1 VAL 43 11.219 9.838 1.041 348 HG13 VAL 43 3HG1 VAL 43 10.890 10.582 2.608 349 HG21 VAL 43 3HG2 VAL 43 9.171 10.787 0.022 350 HG22 VAL 43 1HG2 VAL 43 8.864 12.524 0.085 351 HG23 VAL 43 2HG2 VAL 43 8.717 11.550 1.548 352 H VAL 44 H VAL 44 12.095 13.169 4.051 353 HA VAL 44 HA VAL 44 14.690 14.031 2.946 354 HB VAL 44 HB VAL 44 15.295 14.711 5.238 355 HG11 VAL 44 1HG1 VAL 44 13.804 16.652 5.392 356 HG12 VAL 44 2HG1 VAL 44 12.671 15.879 4.281 357 HG13 VAL 44 3HG1 VAL 44 14.282 16.344 3.722 358 HG21 VAL 44 3HG2 VAL 44 13.932 13.113 6.494 359 HG22 VAL 44 1HG2 VAL 44 12.460 13.917 5.940 360 HG23 VAL 44 2HG2 VAL 44 13.583 14.766 7.002 361 H ASN 45 H ASN 45 16.606 13.021 3.509 362 HA ASN 45 HA ASN 45 16.459 10.188 4.025 363 HB2 ASN 45 2HB ASN 45 17.977 11.001 2.325 364 HB3 ASN 45 3HB ASN 45 18.771 12.067 3.475 365 HD21 ASN 45 1HD2 ASN 45 18.355 8.756 2.469 366 HD22 ASN 45 2HD2 ASN 45 19.755 8.140 3.275 367 H LYS 46 H LYS 46 16.626 12.850 6.045 368 HA LYS 46 HA LYS 46 17.796 11.260 8.219 369 HB2 LYS 46 2HB LYS 46 18.997 13.254 9.071 370 HB3 LYS 46 3HB LYS 46 19.594 12.706 7.515 371 HG2 LYS 46 2HG LYS 46 17.617 14.956 7.768 372 HG3 LYS 46 3HG LYS 46 19.357 15.213 7.863 373 HD2 LYS 46 2HD LYS 46 19.621 14.218 5.621 374 HD3 LYS 46 3HD LYS 46 17.877 13.993 5.521 375 HE2 LYS 46 2HE LYS 46 17.535 16.397 5.632 376 HE3 LYS 46 3HE LYS 46 19.266 16.657 5.828 377 HZ1 LYS 46 3HZ LYS 46 18.632 17.058 3.560 378 HZ2 LYS 46 1HZ LYS 46 17.917 15.531 3.432 379 HZ3 LYS 46 2HZ LYS 46 19.590 15.669 3.617 380 H ALA 47 H ALA 47 16.757 11.379 10.123 381 HA ALA 47 HA ALA 47 14.121 12.500 10.130 382 HB1 ALA 47 3HB ALA 47 15.631 11.152 12.372 383 HB2 ALA 47 1HB ALA 47 14.624 10.339 11.174 384 HB3 ALA 47 2HB ALA 47 13.894 11.459 12.324 385 H GLU 48 H GLU 48 17.199 13.539 11.355 386 HA GLU 48 HA GLU 48 16.514 15.236 13.428 387 HB2 GLU 48 2HB GLU 48 18.565 16.489 12.916 388 HB3 GLU 48 3HB GLU 48 18.832 14.752 12.827 389 HG2 GLU 48 2HG GLU 48 18.786 14.808 10.422 390 HG3 GLU 48 3HG GLU 48 18.329 16.510 10.429 391 H LYS 49 H LYS 49 16.219 15.792 9.963 392 HA LYS 49 HA LYS 49 15.401 18.572 10.382 393 HB2 LYS 49 2HB LYS 49 15.923 17.022 7.832 394 HB3 LYS 49 3HB LYS 49 15.483 18.723 7.900 395 HG2 LYS 49 2HG LYS 49 17.985 17.505 9.072 396 HG3 LYS 49 3HG LYS 49 17.885 18.420 7.565 397 HD2 LYS 49 2HD LYS 49 17.107 20.389 8.832 398 HD3 LYS 49 3HD LYS 49 17.255 19.468 10.331 399 HE2 LYS 49 2HE LYS 49 19.656 19.238 9.976 400 HE3 LYS 49 3HE LYS 49 19.528 20.087 8.437 401 HZ1 LYS 49 3HZ LYS 49 18.889 21.244 11.092 402 HZ2 LYS 49 1HZ LYS 49 18.806 22.056 9.611 403 HZ3 LYS 49 2HZ LYS 49 20.298 21.538 10.212 404 H SER 50 H SER 50 13.817 15.730 10.542 405 HA SER 50 HA SER 50 11.467 16.582 8.978 406 HG SER 50 HG SER 50 12.449 14.169 11.237 407 HB2 SER 50 2HB SER 50 10.653 14.308 9.164 408 HB3 SER 50 3HB SER 50 12.332 14.261 8.636 409 H GLU 51 H GLU 51 9.307 15.948 10.001 410 HA GLU 51 HA GLU 51 9.276 16.611 12.881 411 HB2 GLU 51 2HB GLU 51 8.210 18.286 11.306 412 HB3 GLU 51 3HB GLU 51 7.025 17.058 10.898 413 HG2 GLU 51 2HG GLU 51 7.345 17.635 13.786 414 HG3 GLU 51 3HG GLU 51 6.668 18.933 12.811 415 H ALA 52 H ALA 52 7.409 14.845 10.398 416 HA ALA 52 HA ALA 52 6.658 12.853 12.442 417 HB1 ALA 52 3HB ALA 52 4.778 14.010 11.354 418 HB2 ALA 52 1HB ALA 52 4.772 12.278 11.020 419 HB3 ALA 52 2HB ALA 52 5.326 13.413 9.788 420 H ILE 53 H ILE 53 6.943 10.672 12.063 421 HA ILE 53 HA ILE 53 8.620 9.931 9.748 422 HB ILE 53 HB ILE 53 8.654 8.845 12.570 423 HG12 ILE 53 2HG1 ILE 53 10.737 10.249 10.879 424 HG13 ILE 53 3HG1 ILE 53 9.931 10.893 12.304 425 HG21 ILE 53 1HG2 ILE 53 10.128 7.789 10.155 426 HG22 ILE 53 2HG2 ILE 53 8.839 6.968 11.036 427 HG23 ILE 53 3HG2 ILE 53 10.387 7.271 11.821 428 HD11 ILE 53 3HD1 ILE 53 11.030 9.204 13.682 429 HD12 ILE 53 1HD1 ILE 53 12.197 10.193 12.806 430 HD13 ILE 53 2HD1 ILE 53 11.833 8.560 12.250 431 H ILE 54 H ILE 54 7.661 8.604 8.341 432 HA ILE 54 HA ILE 54 5.354 6.999 9.165 433 HB ILE 54 HB ILE 54 6.537 7.368 6.394 434 HG12 ILE 54 2HG1 ILE 54 4.362 8.660 6.016 435 HG13 ILE 54 3HG1 ILE 54 4.161 8.663 7.764 436 HG21 ILE 54 1HG2 ILE 54 4.453 6.326 5.594 437 HG22 ILE 54 2HG2 ILE 54 3.968 6.031 7.264 438 HG23 ILE 54 3HG2 ILE 54 5.393 5.228 6.605 439 HD11 ILE 54 3HD1 ILE 54 5.094 10.758 6.961 440 HD12 ILE 54 1HD1 ILE 54 6.455 9.894 6.247 441 HD13 ILE 54 2HD1 ILE 54 6.241 9.915 7.998 442 H GLN 55 H GLN 55 5.878 5.123 10.115 443 HA GLN 55 HA GLN 55 8.270 3.662 9.197 444 HB2 GLN 55 2HB GLN 55 8.218 4.260 11.574 445 HB3 GLN 55 3HB GLN 55 6.680 3.429 11.763 446 HG2 GLN 55 2HG GLN 55 7.810 1.298 11.152 447 HG3 GLN 55 3HG GLN 55 9.344 2.168 11.118 448 HE21 GLN 55 1HE2 GLN 55 6.794 0.951 13.141 449 HE22 GLN 55 2HE2 GLN 55 7.620 1.147 14.645 450 H ILE 56 H ILE 56 7.611 2.352 7.531 451 HA ILE 56 HA ILE 56 5.258 0.666 7.864 452 HB ILE 56 HB ILE 56 5.747 1.648 5.654 453 HG12 ILE 56 2HG1 ILE 56 4.541 -0.599 5.947 454 HG13 ILE 56 3HG1 ILE 56 5.139 -0.208 4.342 455 HG21 ILE 56 1HG2 ILE 56 8.163 1.660 5.699 456 HG22 ILE 56 2HG2 ILE 56 7.585 0.810 4.268 457 HG23 ILE 56 3HG2 ILE 56 8.201 -0.103 5.644 458 HD11 ILE 56 3HD1 ILE 56 7.069 -1.678 4.729 459 HD12 ILE 56 1HD1 ILE 56 5.529 -2.528 4.846 460 HD13 ILE 56 2HD1 ILE 56 6.412 -2.098 6.310 461 H VAL 57 H VAL 57 5.375 -1.162 8.984 462 HA VAL 57 HA VAL 57 7.931 -2.174 9.859 463 HB VAL 57 HB VAL 57 5.178 -3.298 10.435 464 HG11 VAL 57 1HG1 VAL 57 7.801 -3.602 11.907 465 HG12 VAL 57 2HG1 VAL 57 6.999 -4.847 10.948 466 HG13 VAL 57 3HG1 VAL 57 6.246 -4.254 12.429 467 HG21 VAL 57 3HG2 VAL 57 6.760 -1.236 11.980 468 HG22 VAL 57 1HG2 VAL 57 5.253 -1.980 12.511 469 HG23 VAL 57 2HG2 VAL 57 5.272 -0.948 11.082 470 H HIS 58 H HIS 58 5.187 -3.543 8.015 471 HA HIS 58 HA HIS 58 6.870 -5.017 6.275 472 HD1 HIS 58 HD1 HIS 58 6.688 -6.458 10.450 473 HD2 HIS 58 HD2 HIS 58 3.344 -7.153 8.091 474 HE1 HIS 58 HE1 HIS 58 4.815 -6.888 12.058 475 HE2 HIS 58 HE2 HIS 58 2.863 -7.514 10.607 476 HB2 HIS 58 2HB HIS 58 6.086 -7.327 6.991 477 HB3 HIS 58 3HB HIS 58 7.266 -6.554 8.040 478 H ALA 59 H ALA 59 5.746 -6.066 4.582 479 HA ALA 59 HA ALA 59 2.833 -5.588 4.499 480 HB1 ALA 59 3HB ALA 59 4.003 -3.835 3.236 481 HB2 ALA 59 1HB ALA 59 3.016 -4.854 2.184 482 HB3 ALA 59 2HB ALA 59 4.766 -5.071 2.237 483 H ILE 60 H ILE 60 1.885 -7.534 4.386 484 HA ILE 60 HA ILE 60 3.243 -9.799 3.135 485 HB ILE 60 HB ILE 60 0.617 -9.713 4.654 486 HG12 ILE 60 2HG1 ILE 60 1.999 -11.010 6.383 487 HG13 ILE 60 3HG1 ILE 60 3.423 -10.484 5.494 488 HG21 ILE 60 1HG2 ILE 60 2.217 -12.096 3.709 489 HG22 ILE 60 2HG2 ILE 60 0.677 -11.551 3.043 490 HG23 ILE 60 3HG2 ILE 60 0.756 -12.156 4.697 491 HD11 ILE 60 3HD1 ILE 60 2.833 -8.159 5.935 492 HD12 ILE 60 1HD1 ILE 60 3.008 -9.085 7.426 493 HD13 ILE 60 2HD1 ILE 60 1.400 -8.691 6.816 494 H ARG 61 H ARG 61 2.782 -10.498 1.134 495 HA ARG 61 HA ARG 61 0.231 -9.676 -0.120 496 HE ARG 61 HE ARG 61 6.004 -9.302 -1.381 497 HB2 ARG 61 2HB ARG 61 1.574 -9.843 -2.317 498 HB3 ARG 61 3HB ARG 61 1.832 -8.436 -1.295 499 HG2 ARG 61 2HG ARG 61 3.869 -9.483 -0.390 500 HG3 ARG 61 3HG ARG 61 3.619 -10.861 -1.464 501 HD2 ARG 61 2HD ARG 61 3.942 -9.503 -3.402 502 HD3 ARG 61 3HD ARG 61 3.918 -8.021 -2.446 503 HH11 ARG 61 1HH1 ARG 61 5.171 -8.764 -4.681 504 HH12 ARG 61 2HH1 ARG 61 6.817 -8.695 -5.198 505 HH21 ARG 61 1HH2 ARG 61 8.108 -9.196 -2.053 506 HH22 ARG 61 2HH2 ARG 61 8.460 -8.913 -3.722 507 H GLU 62 H GLU 62 -1.068 -11.388 -0.344 508 HA GLU 62 HA GLU 62 0.151 -14.022 -0.925 509 HB2 GLU 62 2HB GLU 62 -2.272 -13.462 0.802 510 HB3 GLU 62 3HB GLU 62 -1.640 -15.055 0.416 511 HG2 GLU 62 2HG GLU 62 0.445 -14.508 1.591 512 HG3 GLU 62 3HG GLU 62 -0.212 -12.921 1.991 513 H LYS 63 H LYS 63 -0.610 -15.098 -2.628 514 HA LYS 63 HA LYS 63 -3.100 -14.165 -3.914 515 HB2 LYS 63 2HB LYS 63 -0.799 -15.746 -5.099 516 HB3 LYS 63 3HB LYS 63 -2.247 -15.255 -5.966 517 HG2 LYS 63 2HG LYS 63 -1.631 -12.878 -5.554 518 HG3 LYS 63 3HG LYS 63 -0.127 -13.439 -4.820 519 HD2 LYS 63 2HD LYS 63 0.350 -12.844 -7.092 520 HD3 LYS 63 3HD LYS 63 0.403 -14.604 -6.981 521 HE2 LYS 63 2HE LYS 63 -1.990 -14.609 -7.802 522 HE3 LYS 63 3HE LYS 63 -1.799 -12.889 -8.134 523 HZ1 LYS 63 3HZ LYS 63 -1.368 -14.057 -10.130 524 HZ2 LYS 63 1HZ LYS 63 -0.312 -15.138 -9.365 525 HZ3 LYS 63 2HZ LYS 63 0.129 -13.521 -9.559 526 H ARG 64 H ARG 64 -4.790 -15.367 -3.294 527 HA ARG 64 HA ARG 64 -4.491 -18.300 -3.129 528 HE ARG 64 HE ARG 64 -7.883 -15.352 0.102 529 HB2 ARG 64 2HB ARG 64 -6.224 -17.969 -1.123 530 HB3 ARG 64 3HB ARG 64 -4.484 -17.952 -0.872 531 HG2 ARG 64 2HG ARG 64 -4.420 -15.607 -0.686 532 HG3 ARG 64 3HG ARG 64 -6.038 -15.425 -1.363 533 HD2 ARG 64 2HD ARG 64 -5.671 -16.967 1.178 534 HD3 ARG 64 3HD ARG 64 -5.644 -15.204 1.221 535 HH11 ARG 64 1HH1 ARG 64 -6.760 -17.895 2.131 536 HH12 ARG 64 2HH1 ARG 64 -8.353 -18.360 2.601 537 HH21 ARG 64 1HH2 ARG 64 -9.909 -15.955 0.695 538 HH22 ARG 64 2HH2 ARG 64 -10.122 -17.294 1.770 539 H ILE 65 H ILE 65 -6.538 -19.489 -3.137 540 HA ILE 65 HA ILE 65 -8.395 -18.424 -5.077 541 HB ILE 65 HB ILE 65 -7.932 -21.090 -3.811 542 HG12 ILE 65 2HG1 ILE 65 -6.859 -20.412 -5.960 543 HG13 ILE 65 3HG1 ILE 65 -7.864 -21.849 -6.114 544 HG21 ILE 65 1HG2 ILE 65 -10.318 -20.852 -3.488 545 HG22 ILE 65 2HG2 ILE 65 -10.006 -22.007 -4.784 546 HG23 ILE 65 3HG2 ILE 65 -10.530 -20.366 -5.171 547 HD11 ILE 65 3HD1 ILE 65 -9.639 -20.531 -7.115 548 HD12 ILE 65 1HD1 ILE 65 -8.129 -20.316 -8.000 549 HD13 ILE 65 2HD1 ILE 65 -8.689 -19.059 -6.897 550 H LEU 66 H LEU 66 -10.481 -17.823 -4.787 551 HA LEU 66 HA LEU 66 -11.541 -17.685 -2.045 552 HG LEU 66 HG LEU 66 -14.367 -16.580 -3.028 553 HB2 LEU 66 2HB LEU 66 -11.516 -15.607 -3.364 554 HB3 LEU 66 3HB LEU 66 -12.485 -16.373 -4.606 555 HD11 LEU 66 1HD1 LEU 66 -13.110 -16.773 -0.952 556 HD12 LEU 66 2HD1 LEU 66 -14.284 -15.461 -0.852 557 HD13 LEU 66 3HD1 LEU 66 -12.574 -15.096 -1.100 558 HD21 LEU 66 3HD2 LEU 66 -13.249 -13.781 -3.240 559 HD22 LEU 66 1HD2 LEU 66 -14.926 -14.193 -2.881 560 HD23 LEU 66 2HD2 LEU 66 -14.234 -14.604 -4.448 561 H SER 67 H SER 67 -12.651 -18.527 -5.332 562 HA SER 67 HA SER 67 -14.283 -20.703 -4.199 563 HG SER 67 HG SER 67 -16.269 -17.780 -4.762 564 HB2 SER 67 2HB SER 67 -15.227 -18.741 -6.313 565 HB3 SER 67 3HB SER 67 -16.119 -20.160 -5.766 566 H LEU 68 H LEU 68 -14.728 -22.448 -5.686 567 HA LEU 68 HA LEU 68 -12.736 -22.613 -7.873 568 HG LEU 68 HG LEU 68 -11.802 -23.362 -5.099 569 HB2 LEU 68 2HB LEU 68 -13.681 -24.753 -5.960 570 HB3 LEU 68 3HB LEU 68 -12.736 -25.092 -7.399 571 HD11 LEU 68 1HD1 LEU 68 -11.073 -26.204 -5.817 572 HD12 LEU 68 2HD1 LEU 68 -12.014 -25.693 -4.415 573 HD13 LEU 68 3HD1 LEU 68 -10.318 -25.233 -4.552 574 HD21 LEU 68 3HD2 LEU 68 -10.804 -22.746 -7.250 575 HD22 LEU 68 1HD2 LEU 68 -10.325 -24.423 -7.513 576 HD23 LEU 68 2HD2 LEU 68 -9.618 -23.501 -6.188 577 H SER 69 H SER 69 -13.257 -23.880 -9.707 578 HA SER 69 HA SER 69 -16.138 -24.344 -10.155 579 HG SER 69 HG SER 69 -15.332 -24.500 -13.660 580 HB2 SER 69 2HB SER 69 -15.102 -22.786 -11.760 581 HB3 SER 69 3HB SER 69 -13.904 -24.008 -12.183 582 H GLU 70 H GLU 70 -16.860 -26.390 -10.587 583 HA GLU 70 HA GLU 70 -16.891 -28.668 -10.613 584 HB2 GLU 70 2HB GLU 70 -14.302 -28.296 -12.142 585 HB3 GLU 70 3HB GLU 70 -15.205 -29.802 -12.044 586 HG2 GLU 70 2HG GLU 70 -17.105 -28.732 -13.163 587 HG3 GLU 70 3HG GLU 70 -16.190 -27.227 -13.267 588 H SER 71 H SER 71 -15.396 -27.250 -8.408 589 HA SER 71 HA SER 71 -14.105 -27.684 -6.584 590 HG SER 71 HG SER 71 -13.050 -30.485 -5.750 591 HB2 SER 71 2HB SER 71 -15.676 -29.561 -6.297 592 HB3 SER 71 3HB SER 71 -14.653 -30.583 -7.306 593 H GLY 72 H GLY 72 -12.725 -27.291 -9.077 594 HA2 GLY 72 2HA GLY 72 -10.121 -28.255 -8.281 595 HA3 GLY 72 3HA GLY 72 -10.698 -28.982 -9.771 596 H ARG 73 H ARG 73 -11.904 -26.920 -11.065 597 HA ARG 73 HA ARG 73 -9.691 -25.398 -12.048 598 HE ARG 73 HE ARG 73 -12.795 -28.410 -15.146 599 HB2 ARG 73 2HB ARG 73 -12.657 -25.217 -12.628 600 HB3 ARG 73 3HB ARG 73 -11.443 -24.262 -13.461 601 HG2 ARG 73 2HG ARG 73 -12.085 -26.121 -14.836 602 HG3 ARG 73 3HG ARG 73 -10.421 -26.347 -14.306 603 HD2 ARG 73 2HD ARG 73 -11.001 -28.073 -12.832 604 HD3 ARG 73 3HD ARG 73 -12.702 -27.606 -12.808 605 HH11 ARG 73 1HH1 ARG 73 -10.349 -29.635 -13.033 606 HH12 ARG 73 2HH1 ARG 73 -10.170 -31.098 -13.937 607 HH21 ARG 73 1HH2 ARG 73 -12.550 -30.293 -16.268 608 HH22 ARG 73 2HH2 ARG 73 -11.423 -31.481 -15.720 609 H VAL 74 H VAL 74 -9.778 -22.981 -12.271 610 HA VAL 74 HA VAL 74 -10.307 -21.746 -9.703 611 HB VAL 74 HB VAL 74 -9.235 -20.533 -12.267 612 HG11 VAL 74 1HG1 VAL 74 -10.205 -18.810 -10.861 613 HG12 VAL 74 2HG1 VAL 74 -8.446 -18.691 -10.820 614 HG13 VAL 74 3HG1 VAL 74 -9.313 -19.408 -9.461 615 HG21 VAL 74 3HG2 VAL 74 -7.775 -21.470 -9.791 616 HG22 VAL 74 1HG2 VAL 74 -7.039 -20.690 -11.192 617 HG23 VAL 74 2HG2 VAL 74 -7.780 -22.283 -11.356 618 H ARG 75 H ARG 75 -11.864 -20.211 -9.231 619 HA ARG 75 HA ARG 75 -13.718 -19.445 -11.406 620 HE ARG 75 HE ARG 75 -17.061 -18.756 -8.634 621 HB2 ARG 75 2HB ARG 75 -14.342 -20.921 -9.106 622 HB3 ARG 75 3HB ARG 75 -14.906 -19.297 -8.742 623 HG2 ARG 75 2HG ARG 75 -16.179 -19.316 -10.880 624 HG3 ARG 75 3HG ARG 75 -15.707 -21.002 -11.099 625 HD2 ARG 75 2HD ARG 75 -17.937 -20.869 -10.137 626 HD3 ARG 75 3HD ARG 75 -16.813 -21.578 -8.977 627 HH11 ARG 75 1HH1 ARG 75 -18.601 -21.763 -7.907 628 HH12 ARG 75 2HH1 ARG 75 -19.436 -21.108 -6.542 629 HH21 ARG 75 1HH2 ARG 75 -18.116 -17.970 -6.870 630 HH22 ARG 75 2HH2 ARG 75 -19.157 -19.008 -5.956 631 H GLU 76 H GLU 76 -13.359 -18.353 -8.028 632 HA GLU 76 HA GLU 76 -12.592 -15.686 -9.047 633 HB2 GLU 76 2HB GLU 76 -14.049 -16.367 -6.477 634 HB3 GLU 76 3HB GLU 76 -13.443 -14.768 -6.881 635 HG2 GLU 76 2HG GLU 76 -15.672 -14.613 -7.444 636 HG3 GLU 76 3HG GLU 76 -14.916 -14.981 -8.993 637 H PHE 77 H PHE 77 -10.628 -14.977 -8.527 638 HA PHE 77 HA PHE 77 -9.050 -16.537 -6.587 639 HD1 PHE 77 HD1 PHE 77 -7.182 -18.130 -7.899 640 HD2 PHE 77 HD2 PHE 77 -5.908 -14.084 -7.518 641 HE1 PHE 77 HE1 PHE 77 -4.974 -18.900 -7.136 642 HE2 PHE 77 HE2 PHE 77 -3.703 -14.849 -6.756 643 HZ PHE 77 HZ PHE 77 -3.229 -17.258 -6.565 644 HB2 PHE 77 2HB PHE 77 -8.348 -16.229 -9.054 645 HB3 PHE 77 3HB PHE 77 -7.945 -14.577 -8.603 646 H GLU 78 H GLU 78 -8.502 -15.638 -4.675 647 HA GLU 78 HA GLU 78 -9.307 -12.871 -4.186 648 HB2 GLU 78 2HB GLU 78 -10.041 -14.754 -2.682 649 HB3 GLU 78 3HB GLU 78 -8.368 -14.924 -2.170 650 HG2 GLU 78 2HG GLU 78 -8.448 -12.523 -1.426 651 HG3 GLU 78 3HG GLU 78 -10.182 -12.555 -1.747 652 H LEU 79 H LEU 79 -7.804 -11.370 -4.571 653 HA LEU 79 HA LEU 79 -4.985 -11.866 -3.949 654 HG LEU 79 HG LEU 79 -6.512 -11.412 -6.717 655 HB2 LEU 79 2HB LEU 79 -6.303 -9.455 -5.221 656 HB3 LEU 79 3HB LEU 79 -4.576 -9.740 -5.096 657 HD11 LEU 79 1HD1 LEU 79 -6.170 -9.193 -7.686 658 HD12 LEU 79 2HD1 LEU 79 -5.414 -10.445 -8.670 659 HD13 LEU 79 3HD1 LEU 79 -4.423 -9.427 -7.623 660 HD21 LEU 79 3HD2 LEU 79 -4.481 -12.470 -7.615 661 HD22 LEU 79 1HD2 LEU 79 -4.669 -12.753 -5.886 662 HD23 LEU 79 2HD2 LEU 79 -3.505 -11.558 -6.462 663 H VAL 80 H VAL 80 -4.578 -11.628 -1.801 664 HA VAL 80 HA VAL 80 -5.803 -9.339 -0.401 665 HB VAL 80 HB VAL 80 -6.471 -11.481 0.539 666 HG11 VAL 80 1HG1 VAL 80 -4.869 -12.992 1.602 667 HG12 VAL 80 2HG1 VAL 80 -3.536 -11.980 1.043 668 HG13 VAL 80 3HG1 VAL 80 -4.549 -12.828 -0.127 669 HG21 VAL 80 3HG2 VAL 80 -6.254 -9.584 2.057 670 HG22 VAL 80 1HG2 VAL 80 -4.565 -9.994 2.354 671 HG23 VAL 80 2HG2 VAL 80 -5.844 -11.088 2.882 672 H TYR 81 H TYR 81 -4.593 -7.847 0.596 673 HA TYR 81 HA TYR 81 -1.668 -8.196 0.746 674 HD1 TYR 81 HD2 TYR 81 0.255 -7.421 -0.139 675 HD2 TYR 81 HD1 TYR 81 -1.907 -3.757 -0.353 676 HE1 TYR 81 HE2 TYR 81 2.367 -6.170 0.005 677 HE2 TYR 81 HE1 TYR 81 0.200 -2.502 -0.213 678 HH TYR 81 HH TYR 81 2.520 -2.899 0.692 679 HB2 TYR 81 2HB TYR 81 -2.304 -6.939 -1.315 680 HB3 TYR 81 3HB TYR 81 -3.099 -5.736 -0.312 681 H ARG 82 H ARG 82 -1.067 -7.927 2.805 682 HA ARG 82 HA ARG 82 -2.717 -6.251 4.596 683 HE ARG 82 HE ARG 82 -3.809 -7.684 7.234 684 HB2 ARG 82 2HB ARG 82 -0.785 -8.458 5.361 685 HB3 ARG 82 3HB ARG 82 -1.914 -7.630 6.425 686 HG2 ARG 82 2HG ARG 82 -2.725 -9.366 4.093 687 HG3 ARG 82 3HG ARG 82 -2.630 -9.915 5.767 688 HD2 ARG 82 2HD ARG 82 -4.399 -7.678 4.767 689 HD3 ARG 82 3HD ARG 82 -4.930 -9.333 5.063 690 HH11 ARG 82 1HH1 ARG 82 -6.334 -9.652 5.951 691 HH12 ARG 82 2HH1 ARG 82 -7.246 -9.615 7.422 692 HH21 ARG 82 1HH2 ARG 82 -5.008 -7.632 9.108 693 HH22 ARG 82 2HH2 ARG 82 -6.504 -8.506 9.183 694 H VAL 83 H VAL 83 -1.811 -4.268 4.876 695 HA VAL 83 HA VAL 83 1.121 -4.019 5.036 696 HB VAL 83 HB VAL 83 -0.948 -1.820 4.804 697 HG11 VAL 83 1HG1 VAL 83 2.060 -1.741 4.503 698 HG12 VAL 83 2HG1 VAL 83 1.122 -1.047 5.825 699 HG13 VAL 83 3HG1 VAL 83 0.964 -0.392 4.196 700 HG21 VAL 83 3HG2 VAL 83 -0.310 -1.654 2.455 701 HG22 VAL 83 1HG2 VAL 83 -0.948 -3.260 2.816 702 HG23 VAL 83 2HG2 VAL 83 0.792 -3.019 2.642 703 H ALA 84 H ALA 84 2.061 -3.825 6.997 704 HA ALA 84 HA ALA 84 0.452 -2.763 9.246 705 HB1 ALA 84 3HB ALA 84 2.829 -4.620 9.383 706 HB2 ALA 84 1HB ALA 84 1.140 -5.107 9.532 707 HB3 ALA 84 2HB ALA 84 1.864 -4.054 10.748 708 H ALA 85 H ALA 85 1.081 -0.853 10.108 709 HA ALA 85 HA ALA 85 3.863 0.009 9.961 710 HB1 ALA 85 3HB ALA 85 1.671 1.611 8.635 711 HB2 ALA 85 1HB ALA 85 2.928 0.697 7.801 712 HB3 ALA 85 2HB ALA 85 3.362 2.087 8.796 713 H ARG 86 H ARG 86 4.037 2.344 10.848 714 HA ARG 86 HA ARG 86 2.034 3.040 12.869 715 HE ARG 86 HE ARG 86 3.839 -1.134 15.293 716 HB2 ARG 86 2HB ARG 86 4.971 2.665 13.545 717 HB3 ARG 86 3HB ARG 86 3.748 3.308 14.631 718 HG2 ARG 86 2HG ARG 86 2.575 1.143 14.563 719 HG3 ARG 86 3HG ARG 86 3.850 0.506 13.522 720 HD2 ARG 86 2HD ARG 86 5.497 1.018 15.319 721 HD3 ARG 86 3HD ARG 86 4.155 1.500 16.359 722 HH11 ARG 86 1HH1 ARG 86 5.296 0.692 17.840 723 HH12 ARG 86 2HH1 ARG 86 5.436 -0.686 18.870 724 HH21 ARG 86 1HH2 ARG 86 4.046 -2.876 16.627 725 HH22 ARG 86 2HH2 ARG 86 4.724 -2.669 18.204 726 H LEU 87 H LEU 87 2.326 5.264 13.690 727 HA LEU 87 HA LEU 87 3.926 6.927 11.843 728 HG LEU 87 HG LEU 87 2.888 9.632 12.303 729 HB2 LEU 87 2HB LEU 87 1.377 7.080 11.687 730 HB3 LEU 87 3HB LEU 87 1.429 7.852 13.264 731 HD11 LEU 87 1HD1 LEU 87 3.893 8.415 10.481 732 HD12 LEU 87 2HD1 LEU 87 3.022 9.805 9.833 733 HD13 LEU 87 3HD1 LEU 87 2.322 8.187 9.712 734 HD21 LEU 87 3HD2 LEU 87 1.121 10.775 11.056 735 HD22 LEU 87 1HD2 LEU 87 0.467 9.969 12.481 736 HD23 LEU 87 2HD2 LEU 87 0.243 9.254 10.884 737 H LEU 88 H LEU 88 5.683 7.643 12.884 738 HA LEU 88 HA LEU 88 5.505 8.143 15.786 739 HG LEU 88 HG LEU 88 6.395 5.814 16.102 740 HB2 LEU 88 2HB LEU 88 7.920 7.472 14.093 741 HB3 LEU 88 3HB LEU 88 7.967 7.825 15.809 742 HD11 LEU 88 1HD1 LEU 88 5.699 5.545 13.800 743 HD12 LEU 88 2HD1 LEU 88 6.525 4.095 14.370 744 HD13 LEU 88 3HD1 LEU 88 7.364 5.230 13.312 745 HD21 LEU 88 3HD2 LEU 88 9.219 5.371 15.136 746 HD22 LEU 88 1HD2 LEU 88 8.262 4.229 16.077 747 HD23 LEU 88 2HD2 LEU 88 8.725 5.776 16.781 748 H ASP 89 H ASP 89 7.108 9.738 16.617 749 HA ASP 89 HA ASP 89 7.132 12.215 15.113 750 HB2 ASP 89 2HB ASP 89 6.655 12.451 17.433 751 HB3 ASP 89 3HB ASP 89 7.991 11.404 17.896 752 H ALA 90 H ALA 90 9.178 13.451 14.851 753 HA ALA 90 HA ALA 90 11.129 12.171 13.387 754 HB1 ALA 90 3HB ALA 90 10.818 14.587 13.398 755 HB2 ALA 90 1HB ALA 90 12.504 14.172 13.704 756 HB3 ALA 90 2HB ALA 90 11.463 14.675 15.037 757 H HIS 91 H HIS 91 10.891 12.294 16.862 758 HA HIS 91 HA HIS 91 13.624 11.252 17.195 759 HD1 HIS 91 HD1 HIS 91 15.167 13.204 19.158 760 HD2 HIS 91 HD2 HIS 91 11.493 14.757 18.003 761 HE1 HIS 91 HE1 HIS 91 15.591 15.615 18.648 762 HE2 HIS 91 HE2 HIS 91 13.404 16.489 17.785 763 HB2 HIS 91 2HB HIS 91 11.588 12.203 19.229 764 HB3 HIS 91 3HB HIS 91 13.209 11.628 19.621 765 H ASN 92 H ASN 92 11.292 9.692 16.102 766 HA ASN 92 HA ASN 92 10.671 7.509 16.065 767 HB2 ASN 92 2HB ASN 92 12.807 7.143 18.180 768 HB3 ASN 92 3HB ASN 92 12.032 5.850 17.264 769 HD21 ASN 92 1HD2 ASN 92 11.992 7.292 14.762 770 HD22 ASN 92 2HD2 ASN 92 13.621 7.340 14.202 771 H ALA 93 H ALA 93 9.569 9.450 18.176 772 HA ALA 93 HA ALA 93 8.541 7.611 20.184 773 HB1 ALA 93 3HB ALA 93 7.835 10.506 19.673 774 HB2 ALA 93 1HB ALA 93 9.063 9.930 20.801 775 HB3 ALA 93 2HB ALA 93 7.364 9.550 21.078 776 H GLU 94 H GLU 94 6.980 6.212 19.572 777 HA GLU 94 HA GLU 94 5.315 6.679 17.300 778 HB2 GLU 94 2HB GLU 94 4.152 4.537 18.105 779 HB3 GLU 94 3HB GLU 94 5.838 4.430 17.623 780 HG2 GLU 94 2HG GLU 94 6.481 4.543 20.021 781 HG3 GLU 94 3HG GLU 94 4.769 4.507 20.441 782 H LEU 95 H LEU 95 4.130 8.519 17.627 783 HA LEU 95 HA LEU 95 2.390 8.832 19.903 784 HG LEU 95 HG LEU 95 3.190 12.315 19.039 785 HB2 LEU 95 2HB LEU 95 3.001 10.436 17.461 786 HB3 LEU 95 3HB LEU 95 1.495 10.758 18.300 787 HD11 LEU 95 1HD1 LEU 95 1.558 11.606 20.695 788 HD12 LEU 95 2HD1 LEU 95 3.115 11.927 21.451 789 HD13 LEU 95 3HD1 LEU 95 2.598 10.264 21.174 790 HD21 LEU 95 3HD2 LEU 95 5.219 11.602 20.185 791 HD22 LEU 95 1HD2 LEU 95 5.178 10.983 18.534 792 HD23 LEU 95 2HD2 LEU 95 4.811 9.912 19.886 793 H ALA 96 H ALA 96 1.839 8.252 16.410 794 HA ALA 96 HA ALA 96 -0.951 7.514 17.074 795 HB1 ALA 96 3HB ALA 96 -0.775 9.561 15.728 796 HB2 ALA 96 1HB ALA 96 -1.590 8.268 14.852 797 HB3 ALA 96 2HB ALA 96 0.088 8.661 14.482 798 H SER 97 H SER 97 -1.407 5.415 16.846 799 HA SER 97 HA SER 97 0.299 3.607 15.420 800 HG SER 97 HG SER 97 -2.392 1.236 15.848 801 HB2 SER 97 2HB SER 97 -0.905 2.778 17.362 802 HB3 SER 97 3HB SER 97 -2.454 3.185 16.624 803 H LEU 98 H LEU 98 0.382 4.094 13.255 804 HA LEU 98 HA LEU 98 -1.843 4.613 11.599 805 HG LEU 98 HG LEU 98 -0.769 3.325 8.944 806 HB2 LEU 98 2HB LEU 98 0.533 5.110 11.017 807 HB3 LEU 98 3HB LEU 98 0.815 3.388 10.826 808 HD11 LEU 98 1HD1 LEU 98 -2.258 5.134 9.649 809 HD12 LEU 98 2HD1 LEU 98 -1.672 5.392 8.006 810 HD13 LEU 98 3HD1 LEU 98 -0.981 6.314 9.342 811 HD21 LEU 98 3HD2 LEU 98 1.590 3.708 8.482 812 HD22 LEU 98 1HD2 LEU 98 1.368 5.449 8.676 813 HD23 LEU 98 2HD2 LEU 98 0.587 4.601 7.341 814 H GLN 99 H GLN 99 -3.513 3.202 11.725 815 HA GLN 99 HA GLN 99 -3.435 0.537 12.397 816 HB2 GLN 99 2HB GLN 99 -5.724 0.368 11.545 817 HB3 GLN 99 3HB GLN 99 -5.482 1.854 12.453 818 HG2 GLN 99 2HG GLN 99 -5.357 3.138 10.414 819 HG3 GLN 99 3HG GLN 99 -5.422 1.669 9.443 820 HE21 GLN 99 1HE2 GLN 99 -7.380 0.571 9.246 821 HE22 GLN 99 2HE2 GLN 99 -8.888 1.310 9.650 822 H GLU 100 H GLU 100 -3.457 -1.407 11.364 823 HA GLU 100 HA GLU 100 -1.997 -1.748 9.006 824 HB2 GLU 100 2HB GLU 100 -2.787 -4.111 9.105 825 HB3 GLU 100 3HB GLU 100 -2.138 -3.519 10.628 826 HG2 GLU 100 2HG GLU 100 -4.353 -3.243 11.531 827 HG3 GLU 100 3HG GLU 100 -5.079 -3.659 9.978 828 H ILE 101 H ILE 101 -2.513 -2.006 6.890 829 HA ILE 101 HA ILE 101 -5.277 -1.403 6.085 830 HB ILE 101 HB ILE 101 -2.737 -1.346 4.435 831 HG12 ILE 101 2HG1 ILE 101 -4.314 0.956 5.632 832 HG13 ILE 101 3HG1 ILE 101 -2.782 0.351 6.255 833 HG21 ILE 101 1HG2 ILE 101 -4.710 -1.738 3.064 834 HG22 ILE 101 2HG2 ILE 101 -4.093 -0.108 2.793 835 HG23 ILE 101 3HG2 ILE 101 -5.523 -0.356 3.797 836 HD11 ILE 101 3HD1 ILE 101 -1.685 0.981 4.168 837 HD12 ILE 101 1HD1 ILE 101 -2.465 2.361 4.941 838 HD13 ILE 101 2HD1 ILE 101 -3.220 1.592 3.548 839 H ARG 102 H ARG 102 -6.488 -3.140 5.682 840 HA ARG 102 HA ARG 102 -5.258 -5.526 4.468 841 HE ARG 102 HE ARG 102 -9.834 -6.732 5.680 842 HB2 ARG 102 2HB ARG 102 -7.450 -6.639 5.202 843 HB3 ARG 102 3HB ARG 102 -6.314 -6.180 6.461 844 HG2 ARG 102 2HG ARG 102 -7.637 -4.203 6.971 845 HG3 ARG 102 3HG ARG 102 -8.750 -4.592 5.660 846 HD2 ARG 102 2HD ARG 102 -8.231 -6.439 7.989 847 HD3 ARG 102 3HD ARG 102 -9.513 -5.229 7.987 848 HH11 ARG 102 1HH1 ARG 102 -9.885 -7.329 9.081 849 HH12 ARG 102 2HH1 ARG 102 -11.097 -8.555 8.947 850 HH21 ARG 102 1HH2 ARG 102 -11.394 -8.284 5.539 851 HH22 ARG 102 2HH2 ARG 102 -11.929 -9.101 6.967 852 H LEU 103 H LEU 103 -5.363 -5.404 2.297 853 HA LEU 103 HA LEU 103 -7.866 -4.470 1.036 854 HG LEU 103 HG LEU 103 -5.225 -2.753 1.357 855 HB2 LEU 103 2HB LEU 103 -5.083 -4.707 -0.125 856 HB3 LEU 103 3HB LEU 103 -6.499 -4.157 -1.003 857 HD11 LEU 103 1HD1 LEU 103 -3.894 -2.598 -0.687 858 HD12 LEU 103 2HD1 LEU 103 -4.610 -1.042 -0.269 859 HD13 LEU 103 3HD1 LEU 103 -5.306 -2.011 -1.570 860 HD21 LEU 103 3HD2 LEU 103 -7.565 -1.917 -0.362 861 HD22 LEU 103 1HD2 LEU 103 -6.808 -0.948 0.905 862 HD23 LEU 103 2HD2 LEU 103 -7.653 -2.439 1.321 863 H THR 104 H THR 104 -9.023 -5.778 -0.290 864 HA THR 104 HA THR 104 -7.859 -8.343 -1.170 865 HB THR 104 HB THR 104 -10.074 -9.446 -0.834 866 HG1 THR 104 HG1 THR 104 -11.246 -7.364 -0.706 867 HG21 THR 104 3HG2 THR 104 -8.877 -8.310 1.703 868 HG22 THR 104 1HG2 THR 104 -8.294 -9.732 0.836 869 HG23 THR 104 2HG2 THR 104 -9.890 -9.750 1.583 870 H ARG 105 H ARG 105 -8.051 -8.634 -3.311 871 HA ARG 105 HA ARG 105 -10.169 -7.178 -4.784 872 HE ARG 105 HE ARG 105 -8.808 -4.602 -4.938 873 HB2 ARG 105 2HB ARG 105 -7.804 -6.260 -5.025 874 HB3 ARG 105 3HB ARG 105 -7.389 -7.766 -5.828 875 HG2 ARG 105 2HG ARG 105 -7.795 -6.152 -7.513 876 HG3 ARG 105 3HG ARG 105 -9.174 -7.250 -7.519 877 HD2 ARG 105 2HD ARG 105 -9.783 -4.830 -7.716 878 HD3 ARG 105 3HD ARG 105 -10.537 -5.659 -6.353 879 HH11 ARG 105 1HH1 ARG 105 -9.543 -3.170 -7.994 880 HH12 ARG 105 2HH1 ARG 105 -9.008 -1.602 -7.495 881 HH21 ARG 105 1HH2 ARG 105 -8.135 -2.581 -4.333 882 HH22 ARG 105 2HH2 ARG 105 -8.188 -1.275 -5.463 883 H ILE 106 H ILE 106 -11.484 -8.498 -5.955 884 HA ILE 106 HA ILE 106 -10.794 -11.313 -6.177 885 HB ILE 106 HB ILE 106 -13.330 -9.776 -6.723 886 HG12 ILE 106 2HG1 ILE 106 -14.267 -11.320 -5.033 887 HG13 ILE 106 3HG1 ILE 106 -12.706 -12.118 -4.893 888 HG21 ILE 106 1HG2 ILE 106 -14.404 -11.907 -7.394 889 HG22 ILE 106 2HG2 ILE 106 -12.810 -12.667 -7.440 890 HG23 ILE 106 3HG2 ILE 106 -13.192 -11.348 -8.547 891 HD11 ILE 106 3HD1 ILE 106 -13.122 -10.599 -3.043 892 HD12 ILE 106 1HD1 ILE 106 -13.291 -9.254 -4.171 893 HD13 ILE 106 2HD1 ILE 106 -11.737 -10.072 -3.997 894 H LEU 107 H LEU 107 -9.588 -11.967 -7.795 895 HA LEU 107 HA LEU 107 -9.650 -10.763 -10.433 896 HG LEU 107 HG LEU 107 -6.421 -12.612 -11.128 897 HB2 LEU 107 2HB LEU 107 -7.545 -11.537 -9.344 898 HB3 LEU 107 3HB LEU 107 -8.146 -13.178 -9.384 899 HD11 LEU 107 1HD1 LEU 107 -7.512 -13.801 -12.943 900 HD12 LEU 107 2HD1 LEU 107 -9.086 -13.533 -12.196 901 HD13 LEU 107 3HD1 LEU 107 -7.888 -14.545 -11.390 902 HD21 LEU 107 3HD2 LEU 107 -8.664 -10.985 -12.330 903 HD22 LEU 107 1HD2 LEU 107 -7.123 -11.356 -13.101 904 HD23 LEU 107 2HD2 LEU 107 -7.163 -10.351 -11.655 905 HA PRO 108 HA PRO 108 -12.937 -13.715 -11.467 906 HB2 PRO 108 2HB PRO 108 -13.737 -12.565 -13.765 907 HB3 PRO 108 3HB PRO 108 -14.098 -11.843 -12.192 908 HG2 PRO 108 2HG PRO 108 -11.936 -11.137 -14.148 909 HG3 PRO 108 3HG PRO 108 -13.009 -10.059 -13.233 910 HD2 PRO 108 2HD PRO 108 -10.433 -10.630 -12.484 911 HD3 PRO 108 3HD PRO 108 -11.709 -10.182 -11.335 912 H PHE 109 H PHE 109 -12.361 -15.701 -12.196 913 HA PHE 109 HA PHE 109 -10.611 -15.998 -14.506 914 HD1 PHE 109 HD1 PHE 109 -8.544 -18.104 -14.170 915 HD2 PHE 109 HD2 PHE 109 -12.484 -19.692 -14.537 916 HE1 PHE 109 HE1 PHE 109 -7.705 -19.839 -15.705 917 HE2 PHE 109 HE2 PHE 109 -11.648 -21.425 -16.066 918 HZ PHE 109 HZ PHE 109 -9.256 -21.502 -16.651 919 HB2 PHE 109 2HB PHE 109 -10.315 -17.504 -12.578 920 HB3 PHE 109 3HB PHE 109 -11.954 -18.106 -12.790 921 H LEU 110 H LEU 110 -11.542 -15.670 -16.430 922 HA LEU 110 HA LEU 110 -14.251 -16.704 -16.934 923 HG LEU 110 HG LEU 110 -13.368 -13.711 -16.413 924 HB2 LEU 110 2HB LEU 110 -12.608 -14.734 -18.540 925 HB3 LEU 110 3HB LEU 110 -14.260 -15.214 -18.886 926 HD11 LEU 110 1HD1 LEU 110 -14.494 -11.789 -17.390 927 HD12 LEU 110 2HD1 LEU 110 -14.881 -12.728 -18.834 928 HD13 LEU 110 3HD1 LEU 110 -13.200 -12.355 -18.448 929 HD21 LEU 110 3HD2 LEU 110 -15.307 -15.111 -15.968 930 HD22 LEU 110 1HD2 LEU 110 -16.127 -14.461 -17.390 931 HD23 LEU 110 2HD2 LEU 110 -15.779 -13.412 -16.013 932 H ASP 111 H ASP 111 -14.266 -18.690 -17.795 933 HA ASP 111 HA ASP 111 -12.135 -20.017 -18.999 934 HB2 ASP 111 2HB ASP 111 -15.109 -20.491 -19.318 935 HB3 ASP 111 3HB ASP 111 -13.858 -21.625 -19.818 936 H ALA 112 H ALA 112 -14.406 -17.779 -20.409 937 HA ALA 112 HA ALA 112 -13.833 -18.540 -23.148 938 HB1 ALA 112 3HB ALA 112 -16.060 -17.760 -22.514 939 HB2 ALA 112 1HB ALA 112 -15.345 -16.731 -23.755 940 HB3 ALA 112 2HB ALA 112 -15.389 -16.188 -22.075 941 H GLN 113 H GLN 113 -11.960 -16.941 -21.002 942 HA GLN 113 HA GLN 113 -10.869 -15.088 -23.033 943 HB2 GLN 113 2HB GLN 113 -11.162 -14.692 -20.056 944 HB3 GLN 113 3HB GLN 113 -10.103 -13.696 -21.044 945 HG2 GLN 113 2HG GLN 113 -13.075 -13.990 -21.463 946 HG3 GLN 113 3HG GLN 113 -12.296 -12.656 -20.612 947 HE21 GLN 113 1HE2 GLN 113 -13.936 -12.656 -23.039 948 HE22 GLN 113 2HE2 GLN 113 -12.964 -11.916 -24.257 949 H GLU 114 H GLU 114 -8.619 -14.814 -23.147 950 HA GLU 114 HA GLU 114 -7.002 -16.741 -21.599 951 HB2 GLU 114 2HB GLU 114 -5.538 -16.936 -23.662 952 HB3 GLU 114 3HB GLU 114 -7.122 -17.688 -23.760 953 HG2 GLU 114 2HG GLU 114 -7.954 -15.760 -25.030 954 HG3 GLU 114 3HG GLU 114 -6.355 -15.026 -24.950 955 H LEU 115 H LEU 115 -6.637 -13.803 -23.642 956 HA LEU 115 HA LEU 115 -4.241 -13.038 -22.189 957 HG LEU 115 HG LEU 115 -3.519 -11.908 -25.633 958 HB2 LEU 115 2HB LEU 115 -5.712 -11.922 -24.547 959 HB3 LEU 115 3HB LEU 115 -4.579 -10.899 -23.686 960 HD11 LEU 115 1HD1 LEU 115 -2.468 -13.082 -23.056 961 HD12 LEU 115 2HD1 LEU 115 -2.131 -11.465 -23.673 962 HD13 LEU 115 3HD1 LEU 115 -1.557 -12.880 -24.551 963 HD21 LEU 115 3HD2 LEU 115 -3.136 -14.338 -25.745 964 HD22 LEU 115 1HD2 LEU 115 -4.848 -13.922 -25.851 965 HD23 LEU 115 2HD2 LEU 115 -4.185 -14.556 -24.344 966 H ALA 116 H ALA 116 -7.636 -12.289 -22.082 967 HA ALA 116 HA ALA 116 -7.721 -9.863 -20.764 968 HB1 ALA 116 3HB ALA 116 -9.422 -12.267 -20.100 969 HB2 ALA 116 1HB ALA 116 -9.708 -11.166 -21.450 970 HB3 ALA 116 2HB ALA 116 -9.821 -10.575 -19.792 971 H LYS 117 H LYS 117 -7.097 -13.063 -19.394 972 HA LYS 117 HA LYS 117 -6.870 -12.444 -16.700 973 HB2 LYS 117 2HB LYS 117 -5.536 -14.491 -18.455 974 HB3 LYS 117 3HB LYS 117 -5.095 -14.361 -16.759 975 HG2 LYS 117 2HG LYS 117 -7.903 -14.817 -17.747 976 HG3 LYS 117 3HG LYS 117 -6.801 -16.099 -17.245 977 HD2 LYS 117 2HD LYS 117 -7.652 -13.802 -15.470 978 HD3 LYS 117 3HD LYS 117 -8.433 -15.380 -15.484 979 HE2 LYS 117 2HE LYS 117 -6.903 -15.363 -13.654 980 HE3 LYS 117 3HE LYS 117 -6.212 -16.395 -14.900 981 HZ1 LYS 117 3HZ LYS 117 -5.433 -13.553 -14.554 982 HZ2 LYS 117 1HZ LYS 117 -4.647 -14.737 -15.468 983 HZ3 LYS 117 2HZ LYS 117 -4.629 -14.817 -13.780 984 H ALA 118 H ALA 118 -4.413 -12.192 -19.248 985 HA ALA 118 HA ALA 118 -2.260 -11.460 -17.570 986 HB1 ALA 118 3HB ALA 118 -1.122 -10.793 -19.618 987 HB2 ALA 118 1HB ALA 118 -2.651 -10.836 -20.501 988 HB3 ALA 118 2HB ALA 118 -1.964 -12.326 -19.851 989 H ALA 119 H ALA 119 -4.395 -9.453 -19.606 990 HA ALA 119 HA ALA 119 -3.287 -6.966 -18.882 991 HB1 ALA 119 3HB ALA 119 -5.281 -5.983 -19.872 992 HB2 ALA 119 1HB ALA 119 -6.091 -7.551 -19.839 993 HB3 ALA 119 2HB ALA 119 -4.680 -7.307 -20.869 994 H GLU 120 H GLU 120 -6.284 -8.516 -17.706 995 HA GLU 120 HA GLU 120 -7.056 -6.562 -15.879 996 HB2 GLU 120 2HB GLU 120 -8.455 -8.480 -16.626 997 HB3 GLU 120 3HB GLU 120 -7.477 -9.552 -15.637 998 HG2 GLU 120 2HG GLU 120 -9.533 -9.057 -14.495 999 HG3 GLU 120 3HG GLU 120 -8.190 -8.320 -13.625 1000 H GLU 121 H GLU 121 -5.192 -9.541 -15.209 1001 HA GLU 121 HA GLU 121 -4.879 -9.005 -12.444 1002 HB2 GLU 121 2HB GLU 121 -4.653 -11.241 -13.755 1003 HB3 GLU 121 3HB GLU 121 -2.986 -10.746 -14.010 1004 HG2 GLU 121 2HG GLU 121 -2.596 -10.683 -11.622 1005 HG3 GLU 121 3HG GLU 121 -4.292 -11.048 -11.307 1006 H GLU 122 H GLU 122 -2.940 -8.182 -15.263 1007 HA GLU 122 HA GLU 122 -0.622 -7.228 -13.998 1008 HB2 GLU 122 2HB GLU 122 -0.831 -7.540 -16.435 1009 HB3 GLU 122 3HB GLU 122 -1.978 -6.215 -16.518 1010 HG2 GLU 122 2HG GLU 122 0.792 -5.758 -15.468 1011 HG3 GLU 122 3HG GLU 122 0.499 -5.839 -17.201 1012 H MET 123 H MET 123 -3.577 -5.476 -14.950 1013 HA MET 123 HA MET 123 -2.905 -2.979 -13.869 1014 HB2 MET 123 2HB MET 123 -5.662 -4.199 -14.168 1015 HB3 MET 123 3HB MET 123 -5.315 -2.488 -13.953 1016 HG2 MET 123 2HG MET 123 -4.119 -2.470 -16.091 1017 HG3 MET 123 3HG MET 123 -4.492 -4.181 -16.307 1018 HE1 MET 123 3HE MET 123 -6.858 -2.603 -18.963 1019 HE2 MET 123 1HE MET 123 -5.609 -3.806 -18.644 1020 HE3 MET 123 2HE MET 123 -5.218 -2.089 -18.565 1021 H LEU 124 H LEU 124 -4.620 -5.727 -12.391 1022 HA LEU 124 HA LEU 124 -5.347 -4.495 -9.995 1023 HG LEU 124 HG LEU 124 -6.567 -6.792 -11.850 1024 HB2 LEU 124 2HB LEU 124 -4.662 -7.393 -10.488 1025 HB3 LEU 124 3HB LEU 124 -5.450 -6.787 -9.042 1026 HD11 LEU 124 1HD1 LEU 124 -7.466 -8.176 -9.324 1027 HD12 LEU 124 2HD1 LEU 124 -6.693 -8.941 -10.713 1028 HD13 LEU 124 3HD1 LEU 124 -8.297 -8.227 -10.880 1029 HD21 LEU 124 3HD2 LEU 124 -8.582 -5.765 -10.918 1030 HD22 LEU 124 1HD2 LEU 124 -7.188 -4.701 -10.737 1031 HD23 LEU 124 2HD2 LEU 124 -7.788 -5.612 -9.350 1032 H TYR 125 H TYR 125 -2.235 -5.898 -10.916 1033 HA TYR 125 HA TYR 125 -1.012 -5.981 -8.397 1034 HD1 TYR 125 HD2 TYR 125 -0.968 -7.916 -8.772 1035 HD2 TYR 125 HD1 TYR 125 1.335 -7.144 -12.274 1036 HE1 TYR 125 HE2 TYR 125 -0.997 -10.314 -9.320 1037 HE2 TYR 125 HE1 TYR 125 1.311 -9.535 -12.823 1038 HH TYR 125 HH TYR 125 -0.757 -11.738 -11.410 1039 HB2 TYR 125 2HB TYR 125 0.223 -5.326 -11.083 1040 HB3 TYR 125 3HB TYR 125 1.144 -5.670 -9.625 1041 H LYS 126 H LYS 126 -0.705 -3.353 -10.809 1042 HA LYS 126 HA LYS 126 0.520 -1.514 -9.062 1043 HB2 LYS 126 2HB LYS 126 -0.202 0.206 -10.795 1044 HB3 LYS 126 3HB LYS 126 0.792 -1.119 -11.380 1045 HG2 LYS 126 2HG LYS 126 -1.120 -2.214 -12.341 1046 HG3 LYS 126 3HG LYS 126 -2.215 -1.042 -11.610 1047 HD2 LYS 126 2HD LYS 126 -0.064 -0.252 -13.573 1048 HD3 LYS 126 3HD LYS 126 -1.686 -0.725 -14.077 1049 HE2 LYS 126 2HE LYS 126 -1.086 1.516 -12.143 1050 HE3 LYS 126 3HE LYS 126 -1.371 1.741 -13.869 1051 HZ1 LYS 126 3HZ LYS 126 -3.370 2.136 -12.557 1052 HZ2 LYS 126 1HZ LYS 126 -3.314 0.561 -11.948 1053 HZ3 LYS 126 2HZ LYS 126 -3.581 0.824 -13.595 1054 H ASP 127 H ASP 127 -2.895 -2.062 -9.834 1055 HA ASP 127 HA ASP 127 -3.902 0.256 -8.585 1056 HB2 ASP 127 2HB ASP 127 -5.225 -2.410 -9.122 1057 HB3 ASP 127 3HB ASP 127 -6.082 -0.990 -8.529 1058 H MET 128 H MET 128 -3.715 -3.096 -7.294 1059 HA MET 128 HA MET 128 -4.674 -2.415 -4.725 1060 HB2 MET 128 2HB MET 128 -2.889 -4.718 -5.542 1061 HB3 MET 128 3HB MET 128 -3.725 -4.586 -4.001 1062 HG2 MET 128 2HG MET 128 -5.878 -4.591 -5.200 1063 HG3 MET 128 3HG MET 128 -5.008 -4.809 -6.718 1064 HE1 MET 128 3HE MET 128 -3.301 -8.317 -6.090 1065 HE2 MET 128 1HE MET 128 -2.622 -6.745 -5.665 1066 HE3 MET 128 2HE MET 128 -3.451 -6.959 -7.208 1067 H GLN 129 H GLN 129 -1.352 -2.682 -5.983 1068 HA GLN 129 HA GLN 129 0.009 -2.170 -3.577 1069 HB2 GLN 129 2HB GLN 129 1.102 -2.995 -5.641 1070 HB3 GLN 129 3HB GLN 129 0.841 -1.430 -6.395 1071 HG2 GLN 129 2HG GLN 129 3.115 -1.545 -5.669 1072 HG3 GLN 129 3HG GLN 129 2.266 -0.400 -4.631 1073 HE21 GLN 129 1HE2 GLN 129 1.841 -0.986 -2.471 1074 HE22 GLN 129 2HE2 GLN 129 2.687 -2.285 -1.705 1075 H LYS 130 H LYS 130 -1.285 0.027 -6.030 1076 HA LYS 130 HA LYS 130 -0.223 2.410 -4.862 1077 HB2 LYS 130 2HB LYS 130 -0.883 2.084 -7.287 1078 HB3 LYS 130 3HB LYS 130 -2.560 2.215 -6.770 1079 HG2 LYS 130 2HG LYS 130 -2.123 4.465 -5.914 1080 HG3 LYS 130 3HG LYS 130 -0.438 4.329 -6.423 1081 HD2 LYS 130 2HD LYS 130 -1.273 3.969 -8.769 1082 HD3 LYS 130 3HD LYS 130 -2.891 4.364 -8.181 1083 HE2 LYS 130 2HE LYS 130 -1.885 6.327 -9.165 1084 HE3 LYS 130 3HE LYS 130 -2.044 6.557 -7.423 1085 HZ1 LYS 130 3HZ LYS 130 0.310 5.939 -7.204 1086 HZ2 LYS 130 1HZ LYS 130 0.095 7.317 -8.168 1087 HZ3 LYS 130 2HZ LYS 130 0.432 5.823 -8.886 1088 H ASP 131 H ASP 131 -3.507 0.982 -4.909 1089 HA ASP 131 HA ASP 131 -4.857 2.836 -3.385 1090 HB2 ASP 131 2HB ASP 131 -5.154 -0.173 -3.472 1091 HB3 ASP 131 3HB ASP 131 -6.262 0.862 -2.578 1092 H ALA 132 H ALA 132 -2.729 0.242 -2.264 1093 HA ALA 132 HA ALA 132 -3.137 0.475 0.493 1094 HB1 ALA 132 3HB ALA 132 -1.909 -1.366 -0.538 1095 HB2 ALA 132 1HB ALA 132 -0.960 -0.601 0.739 1096 HB3 ALA 132 2HB ALA 132 -0.596 -0.267 -0.955 1097 H VAL 133 H VAL 133 -0.524 2.006 -1.451 1098 HA VAL 133 HA VAL 133 0.479 3.543 0.700 1099 HB VAL 133 HB VAL 133 1.905 3.115 -1.198 1100 HG11 VAL 133 1HG1 VAL 133 1.550 4.163 -3.387 1101 HG12 VAL 133 2HG1 VAL 133 0.004 4.805 -2.828 1102 HG13 VAL 133 3HG1 VAL 133 0.233 3.062 -2.976 1103 HG21 VAL 133 3HG2 VAL 133 2.766 5.375 -1.616 1104 HG22 VAL 133 1HG2 VAL 133 2.358 5.129 0.081 1105 HG23 VAL 133 2HG2 VAL 133 1.279 6.061 -0.958 1106 H GLN 134 H GLN 134 -1.984 4.260 -1.746 1107 HA GLN 134 HA GLN 134 -2.376 6.985 -1.143 1108 HB2 GLN 134 2HB GLN 134 -4.381 4.925 -2.108 1109 HB3 GLN 134 3HB GLN 134 -4.654 6.660 -2.106 1110 HG2 GLN 134 2HG GLN 134 -2.451 5.286 -3.641 1111 HG3 GLN 134 3HG GLN 134 -4.014 5.730 -4.321 1112 HE21 GLN 134 1HE2 GLN 134 -4.179 8.237 -2.867 1113 HE22 GLN 134 2HE2 GLN 134 -3.055 9.304 -3.617 1114 H GLN 135 H GLN 135 -3.757 4.044 0.291 1115 HA GLN 135 HA GLN 135 -5.434 5.304 2.191 1116 HB2 GLN 135 2HB GLN 135 -4.089 2.596 2.172 1117 HB3 GLN 135 3HB GLN 135 -5.165 3.106 3.464 1118 HG2 GLN 135 2HG GLN 135 -6.006 3.055 0.574 1119 HG3 GLN 135 3HG GLN 135 -6.170 1.665 1.645 1120 HE21 GLN 135 1HE2 GLN 135 -8.400 1.675 1.481 1121 HE22 GLN 135 2HE2 GLN 135 -9.385 2.864 2.252 1122 H ILE 136 H ILE 136 -2.043 4.201 2.408 1123 HA ILE 136 HA ILE 136 -1.509 4.891 5.058 1124 HB ILE 136 HB ILE 136 0.358 5.110 2.678 1125 HG12 ILE 136 2HG1 ILE 136 -0.017 2.882 4.705 1126 HG13 ILE 136 3HG1 ILE 136 -0.543 2.840 3.025 1127 HG21 ILE 136 1HG2 ILE 136 1.015 5.063 5.628 1128 HG22 ILE 136 2HG2 ILE 136 1.190 6.440 4.543 1129 HG23 ILE 136 3HG2 ILE 136 2.192 5.008 4.314 1130 HD11 ILE 136 3HD1 ILE 136 2.309 3.014 3.973 1131 HD12 ILE 136 1HD1 ILE 136 1.776 2.957 2.292 1132 HD13 ILE 136 2HD1 ILE 136 1.499 1.573 3.352 1133 H LEU 137 H LEU 137 -0.985 6.902 2.152 1134 HA LEU 137 HA LEU 137 -0.185 9.249 3.390 1135 HG LEU 137 HG LEU 137 -1.762 11.294 1.575 1136 HB2 LEU 137 2HB LEU 137 -0.043 8.871 0.978 1137 HB3 LEU 137 3HB LEU 137 -1.792 8.922 0.852 1138 HD11 LEU 137 1HD1 LEU 137 0.287 11.263 2.893 1139 HD12 LEU 137 2HD1 LEU 137 0.368 12.509 1.650 1140 HD13 LEU 137 3HD1 LEU 137 1.240 10.990 1.435 1141 HD21 LEU 137 3HD2 LEU 137 -1.768 10.755 -0.809 1142 HD22 LEU 137 1HD2 LEU 137 -0.005 10.696 -0.810 1143 HD23 LEU 137 2HD2 LEU 137 -0.837 12.219 -0.497 1144 H ARG 138 H ARG 138 -3.505 8.296 2.466 1145 HA ARG 138 HA ARG 138 -4.856 10.574 3.315 1146 HE ARG 138 HE ARG 138 -7.813 6.312 3.020 1147 HB2 ARG 138 2HB ARG 138 -5.956 8.807 2.035 1148 HB3 ARG 138 3HB ARG 138 -5.805 7.699 3.394 1149 HG2 ARG 138 2HG ARG 138 -7.269 9.189 4.731 1150 HG3 ARG 138 3HG ARG 138 -7.475 10.215 3.311 1151 HD2 ARG 138 2HD ARG 138 -9.372 8.705 3.573 1152 HD3 ARG 138 3HD ARG 138 -8.483 8.337 2.099 1153 HH11 ARG 138 1HH1 ARG 138 -9.507 8.180 5.375 1154 HH12 ARG 138 2HH1 ARG 138 -9.756 6.831 6.424 1155 HH21 ARG 138 1HH2 ARG 138 -8.138 4.595 4.367 1156 HH22 ARG 138 2HH2 ARG 138 -8.970 4.818 5.868 1157 H GLN 139 H GLN 139 -4.313 7.582 5.198 1158 HA GLN 139 HA GLN 139 -5.532 8.511 7.562 1159 HB2 GLN 139 2HB GLN 139 -3.434 6.359 7.182 1160 HB3 GLN 139 3HB GLN 139 -4.364 6.603 8.657 1161 HG2 GLN 139 2HG GLN 139 -6.436 6.140 7.433 1162 HG3 GLN 139 3HG GLN 139 -5.513 5.908 5.952 1163 HE21 GLN 139 1HE2 GLN 139 -3.347 4.490 7.321 1164 HE22 GLN 139 2HE2 GLN 139 -3.966 2.925 7.695 1165 H VAL 140 H VAL 140 -2.101 8.525 6.571 1166 HA VAL 140 HA VAL 140 -1.018 9.550 8.950 1167 HB VAL 140 HB VAL 140 -0.054 9.870 6.096 1168 HG11 VAL 140 1HG1 VAL 140 1.433 10.509 8.652 1169 HG12 VAL 140 2HG1 VAL 140 0.866 11.679 7.460 1170 HG13 VAL 140 3HG1 VAL 140 2.120 10.519 7.028 1171 HG21 VAL 140 3HG2 VAL 140 -0.102 7.565 6.906 1172 HG22 VAL 140 1HG2 VAL 140 0.836 8.031 8.327 1173 HG23 VAL 140 2HG2 VAL 140 1.560 8.124 6.720 1174 H SER 141 H SER 141 -2.042 11.328 6.017 1175 HA SER 141 HA SER 141 -1.512 13.913 7.039 1176 HG SER 141 HG SER 141 -3.648 12.039 4.898 1177 HB2 SER 141 2HB SER 141 -2.844 14.753 5.158 1178 HB3 SER 141 3HB SER 141 -1.762 13.469 4.627 1179 H ALA 142 H ALA 142 -4.149 11.750 7.571 1180 HA ALA 142 HA ALA 142 -6.026 13.768 8.438 1181 HB1 ALA 142 3HB ALA 142 -6.779 11.677 7.397 1182 HB2 ALA 142 1HB ALA 142 -7.472 11.899 9.005 1183 HB3 ALA 142 2HB ALA 142 -6.138 10.770 8.766 1184 H PHE 143 H PHE 143 -3.480 11.954 9.933 1185 HA PHE 143 HA PHE 143 -4.502 11.911 12.594 1186 HD1 PHE 143 HD1 PHE 143 -4.082 10.360 14.157 1187 HD2 PHE 143 HD2 PHE 143 -1.922 9.065 10.724 1188 HE1 PHE 143 HE1 PHE 143 -4.838 8.046 14.559 1189 HE2 PHE 143 HE2 PHE 143 -2.674 6.754 11.112 1190 HZ PHE 143 HZ PHE 143 -4.133 6.242 13.032 1191 HB2 PHE 143 2HB PHE 143 -1.874 11.308 11.318 1192 HB3 PHE 143 3HB PHE 143 -1.899 11.572 13.058 1193 H THR 144 H THR 144 -4.237 14.620 11.172 1194 HA THR 144 HA THR 144 -2.570 16.031 13.115 1195 HB THR 144 HB THR 144 -2.347 16.731 10.782 1196 HG1 THR 144 HG1 THR 144 -2.146 18.344 12.442 1197 HG21 THR 144 3HG2 THR 144 -4.192 17.845 9.603 1198 HG22 THR 144 1HG2 THR 144 -5.275 17.483 10.946 1199 HG23 THR 144 2HG2 THR 144 -4.594 16.171 9.984 1200 H SER 145 H SER 145 -5.770 15.058 12.780 1201 HA SER 145 HA SER 145 -6.635 16.493 15.101 1202 HG SER 145 HG SER 145 -9.379 18.350 13.609 1203 HB2 SER 145 2HB SER 145 -6.919 18.296 13.436 1204 HB3 SER 145 3HB SER 145 -7.926 17.237 12.449 1205 H ALA 146 H ALA 146 -9.338 16.242 14.986 1206 HA ALA 146 HA ALA 146 -11.117 14.833 15.074 1207 HB1 ALA 146 3HB ALA 146 -10.746 14.586 12.663 1208 HB2 ALA 146 1HB ALA 146 -11.377 13.109 13.385 1209 HB3 ALA 146 2HB ALA 146 -9.667 13.226 12.973 1210 H GLY 147 H GLY 147 -8.380 14.182 16.497 1211 HA2 GLY 147 2HA GLY 147 -8.528 11.372 17.067 1212 HA3 GLY 147 3HA GLY 147 -7.556 12.559 17.919 1213 H LEU 148 H LEU 148 -10.851 11.284 17.630 1214 HA LEU 148 HA LEU 148 -11.321 12.048 20.447 1215 HG LEU 148 HG LEU 148 -13.514 12.998 21.103 1216 HB2 LEU 148 2HB LEU 148 -12.570 13.406 18.716 1217 HB3 LEU 148 3HB LEU 148 -13.424 11.944 18.273 1218 HD11 LEU 148 1HD1 LEU 148 -15.392 13.755 18.861 1219 HD12 LEU 148 2HD1 LEU 148 -14.206 14.823 19.608 1220 HD13 LEU 148 3HD1 LEU 148 -15.552 14.202 20.560 1221 HD21 LEU 148 3HD2 LEU 148 -14.332 10.723 20.766 1222 HD22 LEU 148 1HD2 LEU 148 -15.416 11.285 19.492 1223 HD23 LEU 148 2HD2 LEU 148 -15.662 11.812 21.158 1224 H GLU 149 H GLU 149 -11.172 10.186 21.567 1225 HA GLU 149 HA GLU 149 -12.001 7.635 20.501 1226 HB2 GLU 149 2HB GLU 149 -11.207 8.424 23.322 1227 HB3 GLU 149 3HB GLU 149 -11.483 6.776 22.783 1228 HG2 GLU 149 2HG GLU 149 -9.131 7.171 22.866 1229 HG3 GLU 149 3HG GLU 149 -9.610 7.033 21.177 1230 H HIS 150 H HIS 150 -13.085 9.467 23.370 1231 HA HIS 150 HA HIS 150 -15.874 8.786 22.717 1232 HD1 HIS 150 HD1 HIS 150 -16.914 7.310 26.849 1233 HD2 HIS 150 HD2 HIS 150 -17.164 6.979 22.718 1234 HE1 HIS 150 HE1 HIS 150 -18.971 5.947 26.409 1235 HE2 HIS 150 HE2 HIS 150 -19.030 5.649 23.915 1236 HB2 HIS 150 2HB HIS 150 -14.505 7.517 24.760 1237 HB3 HIS 150 3HB HIS 150 -15.286 8.843 25.612 1238 H HIS 151 H HIS 151 -17.435 10.305 23.921 1239 HA HIS 151 HA HIS 151 -16.528 12.938 23.313 1240 HD1 HIS 151 HD1 HIS 151 -19.764 13.589 26.177 1241 HD2 HIS 151 HD2 HIS 151 -19.899 9.966 24.145 1242 HE1 HIS 151 HE1 HIS 151 -21.344 12.142 27.484 1243 HE2 HIS 151 HE2 HIS 151 -21.500 10.004 26.176 1244 HB2 HIS 151 2HB HIS 151 -18.781 13.689 23.805 1245 HB3 HIS 151 3HB HIS 151 -18.821 12.223 22.838 1246 H HIS 152 H HIS 152 -15.296 11.613 25.779 1247 HA HIS 152 HA HIS 152 -15.862 13.543 27.853 1248 HD1 HIS 152 HD1 HIS 152 -15.366 12.589 30.716 1249 HD2 HIS 152 HD2 HIS 152 -15.701 9.421 28.057 1250 HE1 HIS 152 HE1 HIS 152 -16.838 10.914 31.857 1251 HE2 HIS 152 HE2 HIS 152 -17.223 9.134 30.127 1252 HB2 HIS 152 2HB HIS 152 -13.800 11.375 27.528 1253 HB3 HIS 152 3HB HIS 152 -13.606 12.595 28.780 1254 H HIS 153 H HIS 153 -15.622 15.437 26.488 1255 HA HIS 153 HA HIS 153 -13.271 16.268 25.255 1256 HD1 HIS 153 HD1 HIS 153 -17.373 16.716 25.771 1257 HD2 HIS 153 HD2 HIS 153 -15.252 19.186 28.362 1258 HE1 HIS 153 HE1 HIS 153 -18.969 17.280 27.620 1259 HE2 HIS 153 HE2 HIS 153 -17.670 18.754 29.185 1260 HB2 HIS 153 2HB HIS 153 -14.174 18.637 25.811 1261 HB3 HIS 153 3HB HIS 153 -15.153 17.578 24.801 1262 H HIS 154 H HIS 154 -11.311 16.893 25.966 1263 HA HIS 154 HA HIS 154 -10.892 17.658 28.760 1264 HD1 HIS 154 HD1 HIS 154 -11.144 14.163 26.327 1265 HD2 HIS 154 HD2 HIS 154 -7.251 15.084 27.433 1266 HE1 HIS 154 HE1 HIS 154 -9.680 12.970 24.678 1267 HE2 HIS 154 HE2 HIS 154 -7.343 13.673 25.272 1268 HB2 HIS 154 2HB HIS 154 -9.279 15.845 29.152 1269 HB3 HIS 154 3HB HIS 154 -10.870 15.190 28.772 1270 H HIS 155 H HIS 155 -8.305 17.679 29.078 1271 HA HIS 155 HA HIS 155 -7.187 19.432 27.075 1272 HD1 HIS 155 HD1 HIS 155 -3.565 17.996 28.576 1273 HD2 HIS 155 HD2 HIS 155 -5.155 21.825 28.265 1274 HE1 HIS 155 HE1 HIS 155 -1.632 19.483 27.985 1275 HE2 HIS 155 HE2 HIS 155 -2.668 21.736 27.570 1276 HB2 HIS 155 2HB HIS 155 -6.718 19.817 29.454 1277 HB3 HIS 155 3HB HIS 155 -5.952 18.238 29.578 Start of MODEL 18 1 HA MET 1 HA MET 1 -7.359 32.934 -2.541 2 H1 MET 1 1H MET 1 -9.371 35.114 -2.512 3 H2 MET 1 2H MET 1 -9.213 33.909 -1.343 4 H3 MET 1 3H MET 1 -9.662 33.498 -2.918 5 HB2 MET 1 2HB MET 1 -7.638 35.365 -4.334 6 HB3 MET 1 3HB MET 1 -6.375 34.146 -4.433 7 HG2 MET 1 2HG MET 1 -8.008 32.466 -5.062 8 HG3 MET 1 3HG MET 1 -9.310 33.640 -4.886 9 HE1 MET 1 3HE MET 1 -5.714 34.190 -6.439 10 HE2 MET 1 1HE MET 1 -6.044 33.876 -8.142 11 HE3 MET 1 2HE MET 1 -6.161 32.567 -6.965 12 H GLY 2 H GLY 2 -5.125 33.748 -2.252 13 HA2 GLY 2 2HA GLY 2 -3.500 35.152 -1.388 14 HA3 GLY 2 3HA GLY 2 -4.711 36.410 -1.225 15 H PHE 3 H PHE 3 -4.844 33.174 0.219 16 HA PHE 3 HA PHE 3 -3.926 34.008 2.797 17 HD1 PHE 3 HD1 PHE 3 -4.660 35.354 4.867 18 HD2 PHE 3 HD2 PHE 3 -7.613 32.315 4.388 19 HE1 PHE 3 HE1 PHE 3 -4.752 35.058 7.308 20 HE2 PHE 3 HE2 PHE 3 -7.706 32.018 6.828 21 HZ PHE 3 HZ PHE 3 -6.274 33.388 8.290 22 HB2 PHE 3 2HB PHE 3 -6.170 35.095 2.750 23 HB3 PHE 3 3HB PHE 3 -6.908 33.514 2.518 24 H LYS 4 H LYS 4 -4.273 32.241 4.468 25 HA LYS 4 HA LYS 4 -3.496 29.752 3.312 26 HB2 LYS 4 2HB LYS 4 -4.113 30.489 6.174 27 HB3 LYS 4 3HB LYS 4 -3.414 28.958 5.667 28 HG2 LYS 4 2HG LYS 4 -1.450 30.114 4.811 29 HG3 LYS 4 3HG LYS 4 -2.155 31.668 5.258 30 HD2 LYS 4 2HD LYS 4 -0.506 30.906 6.915 31 HD3 LYS 4 3HD LYS 4 -2.123 31.037 7.610 32 HE2 LYS 4 2HE LYS 4 -2.418 28.603 7.342 33 HE3 LYS 4 3HE LYS 4 -0.785 28.488 6.686 34 HZ1 LYS 4 3HZ LYS 4 0.077 29.287 8.789 35 HZ2 LYS 4 1HZ LYS 4 -0.862 27.902 9.026 36 HZ3 LYS 4 2HZ LYS 4 -1.488 29.424 9.415 37 H LEU 5 H LEU 5 -5.379 29.200 2.050 38 HA LEU 5 HA LEU 5 -7.509 27.925 3.653 39 HG LEU 5 HG LEU 5 -9.622 29.921 1.321 40 HB2 LEU 5 2HB LEU 5 -7.472 28.779 0.752 41 HB3 LEU 5 3HB LEU 5 -8.709 27.730 1.413 42 HD11 LEU 5 1HD1 LEU 5 -10.155 30.398 3.649 43 HD12 LEU 5 2HD1 LEU 5 -8.813 29.383 4.178 44 HD13 LEU 5 3HD1 LEU 5 -10.183 28.661 3.335 45 HD21 LEU 5 3HD2 LEU 5 -7.559 31.191 1.133 46 HD22 LEU 5 1HD2 LEU 5 -7.201 30.890 2.835 47 HD23 LEU 5 2HD2 LEU 5 -8.601 31.863 2.387 48 H ARG 6 H ARG 6 -8.349 25.828 2.643 49 HA ARG 6 HA ARG 6 -6.184 23.984 2.465 50 HE ARG 6 HE ARG 6 -8.192 21.560 4.633 51 HB2 ARG 6 2HB ARG 6 -8.318 23.372 3.506 52 HB3 ARG 6 3HB ARG 6 -9.143 23.551 1.965 53 HG2 ARG 6 2HG ARG 6 -7.987 21.658 1.048 54 HG3 ARG 6 3HG ARG 6 -6.942 21.549 2.468 55 HD2 ARG 6 2HD ARG 6 -9.940 21.130 2.434 56 HD3 ARG 6 3HD ARG 6 -8.718 19.860 2.539 57 HH11 ARG 6 1HH1 ARG 6 -10.838 19.573 3.659 58 HH12 ARG 6 2HH1 ARG 6 -11.421 19.385 5.274 59 HH21 ARG 6 1HH2 ARG 6 -8.924 21.276 6.689 60 HH22 ARG 6 2HH2 ARG 6 -10.350 20.334 6.968 61 H GLY 7 H GLY 7 -5.019 24.813 0.631 62 HA2 GLY 7 2HA GLY 7 -6.219 24.194 -1.997 63 HA3 GLY 7 3HA GLY 7 -4.799 25.193 -1.728 64 H GLN 8 H GLN 8 -4.989 22.263 0.056 65 HA GLN 8 HA GLN 8 -2.988 20.999 -1.720 66 HB2 GLN 8 2HB GLN 8 -3.350 20.569 1.262 67 HB3 GLN 8 3HB GLN 8 -2.060 19.924 0.260 68 HG2 GLN 8 2HG GLN 8 -2.500 22.855 0.829 69 HG3 GLN 8 3HG GLN 8 -1.362 21.819 1.685 70 HE21 GLN 8 1HE2 GLN 8 -2.045 23.470 -1.293 71 HE22 GLN 8 2HE2 GLN 8 -0.480 23.293 -1.988 72 H VAL 9 H VAL 9 -3.438 18.939 -2.469 73 HA VAL 9 HA VAL 9 -6.032 17.864 -2.273 74 HB VAL 9 HB VAL 9 -4.526 17.334 -4.143 75 HG11 VAL 9 1HG1 VAL 9 -2.745 15.669 -3.909 76 HG12 VAL 9 2HG1 VAL 9 -3.012 15.624 -2.166 77 HG13 VAL 9 3HG1 VAL 9 -2.424 17.102 -2.931 78 HG21 VAL 9 3HG2 VAL 9 -5.076 14.956 -4.375 79 HG22 VAL 9 1HG2 VAL 9 -6.436 15.870 -3.723 80 HG23 VAL 9 2HG2 VAL 9 -5.451 14.867 -2.653 81 H SER 10 H SER 10 -3.146 17.263 -0.376 82 HA SER 10 HA SER 10 -4.842 16.099 1.707 83 HG SER 10 HG SER 10 -4.248 14.183 -0.334 84 HB2 SER 10 2HB SER 10 -2.284 14.806 0.714 85 HB3 SER 10 3HB SER 10 -3.060 14.394 2.242 86 H GLU 11 H GLU 11 -4.678 17.885 2.987 87 HA GLU 11 HA GLU 11 -2.243 19.335 3.347 88 HB2 GLU 11 2HB GLU 11 -3.525 20.628 5.042 89 HB3 GLU 11 3HB GLU 11 -4.333 20.526 3.483 90 HG2 GLU 11 2HG GLU 11 -5.872 18.892 4.301 91 HG3 GLU 11 3HG GLU 11 -4.980 18.731 5.813 92 H LEU 12 H LEU 12 -0.872 19.442 5.068 93 HA LEU 12 HA LEU 12 -1.388 17.962 7.498 94 HG LEU 12 HG LEU 12 0.207 17.139 4.349 95 HB2 LEU 12 2HB LEU 12 1.040 16.967 7.256 96 HB3 LEU 12 3HB LEU 12 -0.350 16.144 6.587 97 HD11 LEU 12 1HD1 LEU 12 1.525 19.050 5.086 98 HD12 LEU 12 2HD1 LEU 12 2.435 18.032 3.973 99 HD13 LEU 12 3HD1 LEU 12 2.773 17.964 5.703 100 HD21 LEU 12 3HD2 LEU 12 2.051 15.601 3.889 101 HD22 LEU 12 1HD2 LEU 12 0.821 14.852 4.904 102 HD23 LEU 12 2HD2 LEU 12 2.335 15.412 5.619 103 HA PRO 13 HA PRO 13 0.661 21.491 9.214 104 HB2 PRO 13 2HB PRO 13 1.473 20.476 11.625 105 HB3 PRO 13 3HB PRO 13 -0.199 20.922 11.265 106 HG2 PRO 13 2HG PRO 13 1.094 18.219 11.218 107 HG3 PRO 13 3HG PRO 13 -0.495 18.689 11.853 108 HD2 PRO 13 2HD PRO 13 -0.205 17.490 9.446 109 HD3 PRO 13 3HD PRO 13 -1.473 18.695 9.753 110 H PHE 14 H PHE 14 2.496 18.454 9.640 111 HA PHE 14 HA PHE 14 5.014 19.749 9.917 112 HD1 PHE 14 HD2 PHE 14 4.871 16.099 7.593 113 HD2 PHE 14 HD1 PHE 14 2.802 16.648 11.278 114 HE1 PHE 14 HE2 PHE 14 3.320 14.288 6.994 115 HE2 PHE 14 HE1 PHE 14 1.252 14.835 10.680 116 HZ PHE 14 HZ PHE 14 1.511 13.652 8.537 117 HB2 PHE 14 2HB PHE 14 5.882 17.344 9.486 118 HB3 PHE 14 3HB PHE 14 4.943 17.658 10.937 119 H GLU 15 H GLU 15 6.557 20.273 8.468 120 HA GLU 15 HA GLU 15 5.810 20.039 5.625 121 HB2 GLU 15 2HB GLU 15 7.322 21.904 5.226 122 HB3 GLU 15 3HB GLU 15 6.177 22.310 6.497 123 HG2 GLU 15 2HG GLU 15 7.821 22.077 8.189 124 HG3 GLU 15 3HG GLU 15 8.950 21.300 7.081 125 H ARG 16 H ARG 16 7.821 18.446 7.744 126 HA ARG 16 HA ARG 16 9.499 17.473 5.560 127 HE ARG 16 HE ARG 16 12.138 19.927 10.812 128 HB2 ARG 16 2HB ARG 16 11.567 17.733 6.982 129 HB3 ARG 16 3HB ARG 16 10.885 19.228 6.354 130 HG2 ARG 16 2HG ARG 16 9.732 19.500 8.588 131 HG3 ARG 16 3HG ARG 16 10.722 18.155 9.162 132 HD2 ARG 16 2HD ARG 16 12.751 19.424 8.603 133 HD3 ARG 16 3HD ARG 16 11.754 20.764 8.032 134 HH11 ARG 16 1HH1 ARG 16 10.797 22.140 8.546 135 HH12 ARG 16 2HH1 ARG 16 10.322 23.273 9.760 136 HH21 ARG 16 1HH2 ARG 16 11.532 21.391 12.367 137 HH22 ARG 16 2HH2 ARG 16 10.742 22.858 11.910 138 H VAL 17 H VAL 17 9.534 15.343 5.594 139 HA VAL 17 HA VAL 17 9.076 13.941 8.159 140 HB VAL 17 HB VAL 17 7.815 12.221 6.925 141 HG11 VAL 17 1HG1 VAL 17 6.605 14.062 7.995 142 HG12 VAL 17 2HG1 VAL 17 5.780 13.523 6.532 143 HG13 VAL 17 3HG1 VAL 17 6.728 15.011 6.514 144 HG21 VAL 17 3HG2 VAL 17 8.837 12.487 4.721 145 HG22 VAL 17 1HG2 VAL 17 8.093 14.079 4.554 146 HG23 VAL 17 2HG2 VAL 17 7.084 12.634 4.615 147 H TYR 18 H TYR 18 10.180 12.048 8.540 148 HA TYR 18 HA TYR 18 12.195 11.216 6.551 149 HD1 TYR 18 HD1 TYR 18 14.925 10.835 7.024 150 HD2 TYR 18 HD2 TYR 18 12.848 8.744 10.103 151 HE1 TYR 18 HE1 TYR 18 16.600 9.038 6.931 152 HE2 TYR 18 HE2 TYR 18 14.521 6.944 10.013 153 HH TYR 18 HH TYR 18 17.482 7.260 8.304 154 HB2 TYR 18 2HB TYR 18 13.254 11.981 8.595 155 HB3 TYR 18 3HB TYR 18 12.207 10.963 9.570 156 H ILE 19 H ILE 19 12.244 9.100 5.899 157 HA ILE 19 HA ILE 19 10.085 7.349 6.920 158 HB ILE 19 HB ILE 19 9.596 8.147 4.660 159 HG12 ILE 19 2HG1 ILE 19 10.440 5.227 4.678 160 HG13 ILE 19 3HG1 ILE 19 8.890 5.856 5.223 161 HG21 ILE 19 1HG2 ILE 19 12.240 6.910 3.880 162 HG22 ILE 19 2HG2 ILE 19 11.872 8.634 3.939 163 HG23 ILE 19 3HG2 ILE 19 11.059 7.600 2.769 164 HD11 ILE 19 3HD1 ILE 19 8.715 4.845 3.025 165 HD12 ILE 19 1HD1 ILE 19 9.940 5.949 2.402 166 HD13 ILE 19 2HD1 ILE 19 8.384 6.575 2.944 167 H THR 20 H THR 20 10.498 5.067 6.956 168 HA THR 20 HA THR 20 13.129 4.089 6.226 169 HB THR 20 HB THR 20 13.631 4.852 8.464 170 HG1 THR 20 HG1 THR 20 14.739 3.030 8.242 171 HG21 THR 20 3HG2 THR 20 12.466 3.963 10.441 172 HG22 THR 20 1HG2 THR 20 11.313 3.139 9.388 173 HG23 THR 20 2HG2 THR 20 11.381 4.901 9.413 174 H ALA 21 H ALA 21 13.262 1.842 6.040 175 HA ALA 21 HA ALA 21 10.786 0.300 6.443 176 HB1 ALA 21 3HB ALA 21 10.987 -0.704 4.224 177 HB2 ALA 21 1HB ALA 21 12.387 0.313 3.881 178 HB3 ALA 21 2HB ALA 21 10.798 1.046 4.109 179 HA PRO 22 HA PRO 22 13.695 -2.257 8.600 180 HB2 PRO 22 2HB PRO 22 12.189 -4.595 8.582 181 HB3 PRO 22 3HB PRO 22 12.010 -3.279 9.747 182 HG2 PRO 22 2HG PRO 22 10.443 -3.827 7.249 183 HG3 PRO 22 3HG PRO 22 9.864 -3.308 8.847 184 HD2 PRO 22 2HD PRO 22 10.087 -1.552 6.856 185 HD3 PRO 22 3HD PRO 22 10.552 -1.098 8.512 186 H ALA 23 H ALA 23 12.181 -3.712 5.707 187 HA ALA 23 HA ALA 23 14.745 -5.082 5.151 188 HB1 ALA 23 3HB ALA 23 12.945 -6.648 5.706 189 HB2 ALA 23 1HB ALA 23 13.469 -6.836 4.032 190 HB3 ALA 23 2HB ALA 23 11.964 -5.990 4.395 191 H GLY 24 H GLY 24 13.546 -2.370 4.242 192 HA2 GLY 24 2HA GLY 24 13.469 -1.098 2.320 193 HA3 GLY 24 3HA GLY 24 14.624 -2.251 1.672 194 H LEU 25 H LEU 25 11.153 -1.671 2.121 195 HA LEU 25 HA LEU 25 10.517 -3.712 0.118 196 HG LEU 25 HG LEU 25 9.773 -4.780 2.375 197 HB2 LEU 25 2HB LEU 25 8.616 -2.058 1.791 198 HB3 LEU 25 3HB LEU 25 8.204 -3.447 0.806 199 HD11 LEU 25 1HD1 LEU 25 9.998 -3.885 4.633 200 HD12 LEU 25 2HD1 LEU 25 9.281 -2.360 4.108 201 HD13 LEU 25 3HD1 LEU 25 10.838 -2.874 3.458 202 HD21 LEU 25 3HD2 LEU 25 7.164 -3.669 3.410 203 HD22 LEU 25 1HD2 LEU 25 7.964 -5.133 3.984 204 HD23 LEU 25 2HD2 LEU 25 7.353 -5.052 2.332 205 H THR 26 H THR 26 9.082 -3.250 -1.675 206 HA THR 26 HA THR 26 9.709 -0.957 -3.174 207 HB THR 26 HB THR 26 7.819 -1.576 -4.654 208 HG1 THR 26 HG1 THR 26 6.524 -3.364 -4.067 209 HG21 THR 26 3HG2 THR 26 9.450 -3.943 -3.712 210 HG22 THR 26 1HG2 THR 26 9.954 -2.748 -4.908 211 HG23 THR 26 2HG2 THR 26 8.601 -3.827 -5.253 212 H ILE 27 H ILE 27 6.830 -1.704 -1.256 213 HA ILE 27 HA ILE 27 5.181 0.415 -1.694 214 HB ILE 27 HB ILE 27 4.681 -1.464 -0.176 215 HG12 ILE 27 2HG1 ILE 27 3.496 -0.122 1.618 216 HG13 ILE 27 3HG1 ILE 27 4.295 1.309 0.982 217 HG21 ILE 27 1HG2 ILE 27 6.801 -1.570 1.018 218 HG22 ILE 27 2HG2 ILE 27 5.448 -1.457 2.142 219 HG23 ILE 27 3HG2 ILE 27 6.444 -0.039 1.818 220 HD11 ILE 27 3HD1 ILE 27 2.023 1.115 0.150 221 HD12 ILE 27 1HD1 ILE 27 2.393 -0.472 -0.526 222 HD13 ILE 27 2HD1 ILE 27 3.186 0.968 -1.169 223 H GLY 28 H GLY 28 8.158 0.488 0.220 224 HA2 GLY 28 2HA GLY 28 7.779 3.064 1.378 225 HA3 GLY 28 3HA GLY 28 9.307 2.213 1.227 226 H SER 29 H SER 29 9.488 1.979 -1.541 227 HA SER 29 HA SER 29 10.592 4.419 -2.346 228 HG SER 29 HG SER 29 10.024 3.274 -5.677 229 HB2 SER 29 2HB SER 29 11.255 2.380 -3.457 230 HB3 SER 29 3HB SER 29 9.607 2.086 -4.011 231 H ASP 30 H ASP 30 7.467 2.977 -3.289 232 HA ASP 30 HA ASP 30 6.486 5.166 -4.748 233 HB2 ASP 30 2HB ASP 30 4.972 3.076 -3.159 234 HB3 ASP 30 3HB ASP 30 4.245 4.169 -4.332 235 H LEU 31 H LEU 31 6.191 4.363 -1.293 236 HA LEU 31 HA LEU 31 4.405 6.329 -0.495 237 HG LEU 31 HG LEU 31 5.622 7.131 2.256 238 HB2 LEU 31 2HB LEU 31 5.213 4.452 0.905 239 HB3 LEU 31 3HB LEU 31 6.755 5.270 1.083 240 HD11 LEU 31 1HD1 LEU 31 3.420 6.940 1.220 241 HD12 LEU 31 2HD1 LEU 31 3.299 6.883 2.978 242 HD13 LEU 31 3HD1 LEU 31 3.157 5.397 2.038 243 HD21 LEU 31 3HD2 LEU 31 5.138 5.922 4.335 244 HD22 LEU 31 1HD2 LEU 31 6.593 5.307 3.554 245 HD23 LEU 31 2HD2 LEU 31 5.084 4.402 3.441 246 H GLU 32 H GLU 32 7.979 6.562 -0.542 247 HA GLU 32 HA GLU 32 8.258 9.175 0.356 248 HB2 GLU 32 2HB GLU 32 9.905 7.718 -1.727 249 HB3 GLU 32 3HB GLU 32 10.365 9.255 -1.009 250 HG2 GLU 32 2HG GLU 32 10.294 8.122 1.228 251 HG3 GLU 32 3HG GLU 32 10.096 6.594 0.372 252 H ARG 33 H ARG 33 7.678 8.051 -2.957 253 HA ARG 33 HA ARG 33 7.781 10.636 -4.150 254 HE ARG 33 HE ARG 33 10.383 6.477 -6.327 255 HB2 ARG 33 2HB ARG 33 6.507 8.093 -5.193 256 HB3 ARG 33 3HB ARG 33 6.882 9.525 -6.147 257 HG2 ARG 33 2HG ARG 33 9.268 9.216 -5.693 258 HG3 ARG 33 3HG ARG 33 8.902 7.783 -4.729 259 HD2 ARG 33 2HD ARG 33 7.925 6.721 -6.736 260 HD3 ARG 33 3HD ARG 33 8.360 8.146 -7.681 261 HH11 ARG 33 1HH1 ARG 33 9.253 8.192 -9.090 262 HH12 ARG 33 2HH1 ARG 33 10.646 7.803 -10.037 263 HH21 ARG 33 1HH2 ARG 33 12.158 5.976 -7.541 264 HH22 ARG 33 2HH2 ARG 33 12.282 6.562 -9.162 265 H VAL 34 H VAL 34 5.116 8.618 -2.949 266 HA VAL 34 HA VAL 34 2.963 10.123 -3.904 267 HB VAL 34 HB VAL 34 3.188 8.460 -1.387 268 HG11 VAL 34 1HG1 VAL 34 0.725 8.435 -1.350 269 HG12 VAL 34 2HG1 VAL 34 0.699 9.605 -2.671 270 HG13 VAL 34 3HG1 VAL 34 1.368 10.058 -1.102 271 HG21 VAL 34 3HG2 VAL 34 1.985 7.871 -4.098 272 HG22 VAL 34 1HG2 VAL 34 1.943 6.792 -2.702 273 HG23 VAL 34 2HG2 VAL 34 3.485 7.202 -3.453 274 H ILE 35 H ILE 35 4.550 10.358 -0.693 275 HA ILE 35 HA ILE 35 3.095 12.635 0.149 276 HB ILE 35 HB ILE 35 5.714 11.440 1.045 277 HG12 ILE 35 2HG1 ILE 35 4.440 11.064 3.151 278 HG13 ILE 35 3HG1 ILE 35 3.026 11.802 2.410 279 HG21 ILE 35 1HG2 ILE 35 4.471 13.962 2.151 280 HG22 ILE 35 2HG2 ILE 35 6.019 13.831 1.316 281 HG23 ILE 35 3HG2 ILE 35 5.801 13.069 2.891 282 HD11 ILE 35 3HD1 ILE 35 4.378 9.267 1.509 283 HD12 ILE 35 1HD1 ILE 35 2.957 10.000 0.763 284 HD13 ILE 35 2HD1 ILE 35 2.868 9.384 2.413 285 H SER 36 H SER 36 6.349 12.361 -1.291 286 HA SER 36 HA SER 36 7.085 15.040 -1.203 287 HG SER 36 HG SER 36 9.806 14.667 -2.728 288 HB2 SER 36 2HB SER 36 8.654 13.240 -1.739 289 HB3 SER 36 3HB SER 36 7.844 12.971 -3.281 290 H THR 37 H THR 37 4.948 13.460 -3.502 291 HA THR 37 HA THR 37 4.974 15.821 -5.256 292 HB THR 37 HB THR 37 3.649 14.459 -6.835 293 HG1 THR 37 HG1 THR 37 4.115 12.093 -5.471 294 HG21 THR 37 3HG2 THR 37 6.080 14.428 -7.019 295 HG22 THR 37 1HG2 THR 37 5.419 12.842 -7.413 296 HG23 THR 37 2HG2 THR 37 6.173 13.116 -5.842 297 H HIS 38 H HIS 38 2.726 13.972 -3.215 298 HA HIS 38 HA HIS 38 0.487 15.611 -4.140 299 HD1 HIS 38 HD1 HIS 38 -1.074 14.077 -5.658 300 HD2 HIS 38 HD2 HIS 38 1.212 11.103 -3.874 301 HE1 HIS 38 HE1 HIS 38 -0.827 12.284 -7.396 302 HE2 HIS 38 HE2 HIS 38 0.429 10.432 -6.245 303 HB2 HIS 38 2HB HIS 38 0.522 13.206 -2.307 304 HB3 HIS 38 3HB HIS 38 -0.928 14.029 -2.869 305 H THR 39 H THR 39 2.705 15.828 -1.585 306 HA THR 39 HA THR 39 0.830 17.607 -0.148 307 HB THR 39 HB THR 39 1.596 16.964 2.018 308 HG1 THR 39 HG1 THR 39 3.569 15.544 0.589 309 HG21 THR 39 3HG2 THR 39 0.876 14.648 2.192 310 HG22 THR 39 1HG2 THR 39 1.086 14.430 0.454 311 HG23 THR 39 2HG2 THR 39 -0.156 15.526 1.061 312 H ARG 40 H ARG 40 2.234 18.801 1.658 313 HA ARG 40 HA ARG 40 4.269 20.274 0.166 314 HE ARG 40 HE ARG 40 2.361 22.082 -0.214 315 HB2 ARG 40 2HB ARG 40 2.282 21.321 1.431 316 HB3 ARG 40 3HB ARG 40 3.171 20.948 2.900 317 HG2 ARG 40 2HG ARG 40 3.471 23.275 2.183 318 HG3 ARG 40 3HG ARG 40 4.997 22.388 2.199 319 HD2 ARG 40 2HD ARG 40 4.553 23.897 0.188 320 HD3 ARG 40 3HD ARG 40 5.071 22.244 -0.148 321 HH11 ARG 40 1HH1 ARG 40 4.601 24.187 -1.783 322 HH12 ARG 40 2HH1 ARG 40 3.643 24.294 -3.218 323 HH21 ARG 40 1HH2 ARG 40 1.169 22.210 -2.074 324 HH22 ARG 40 2HH2 ARG 40 1.729 23.207 -3.376 325 H ALA 41 H ALA 41 4.284 17.650 2.141 326 HA ALA 41 HA ALA 41 6.454 18.386 3.914 327 HB1 ALA 41 3HB ALA 41 5.124 15.708 3.507 328 HB2 ALA 41 1HB ALA 41 4.646 16.920 4.696 329 HB3 ALA 41 2HB ALA 41 6.223 16.139 4.817 330 H LYS 42 H LYS 42 8.514 18.311 3.346 331 HA LYS 42 HA LYS 42 9.442 16.871 1.024 332 HB2 LYS 42 2HB LYS 42 10.417 19.028 1.474 333 HB3 LYS 42 3HB LYS 42 10.862 18.550 3.104 334 HG2 LYS 42 2HG LYS 42 12.817 18.594 1.678 335 HG3 LYS 42 3HG LYS 42 12.480 16.943 2.193 336 HD2 LYS 42 2HD LYS 42 13.089 16.961 -0.157 337 HD3 LYS 42 3HD LYS 42 11.390 16.516 0.008 338 HE2 LYS 42 2HE LYS 42 10.731 18.799 -0.567 339 HE3 LYS 42 3HE LYS 42 12.426 19.266 -0.693 340 HZ1 LYS 42 3HZ LYS 42 11.019 17.288 -2.407 341 HZ2 LYS 42 1HZ LYS 42 12.668 17.658 -2.507 342 HZ3 LYS 42 2HZ LYS 42 11.511 18.838 -2.864 343 H VAL 43 H VAL 43 10.169 14.825 0.996 344 HA VAL 43 HA VAL 43 10.540 13.339 3.439 345 HB VAL 43 HB VAL 43 11.140 12.469 0.598 346 HG11 VAL 43 1HG1 VAL 43 10.936 10.191 1.485 347 HG12 VAL 43 2HG1 VAL 43 10.687 10.839 3.107 348 HG13 VAL 43 3HG1 VAL 43 12.231 11.077 2.290 349 HG21 VAL 43 3HG2 VAL 43 8.922 11.392 0.651 350 HG22 VAL 43 1HG2 VAL 43 8.805 13.147 0.796 351 HG23 VAL 43 2HG2 VAL 43 8.610 12.127 2.222 352 H VAL 44 H VAL 44 12.315 13.842 4.597 353 HA VAL 44 HA VAL 44 14.841 14.455 3.277 354 HB VAL 44 HB VAL 44 15.669 14.982 5.555 355 HG11 VAL 44 1HG1 VAL 44 14.294 16.990 5.892 356 HG12 VAL 44 2HG1 VAL 44 13.055 16.324 4.827 357 HG13 VAL 44 3HG1 VAL 44 14.646 16.730 4.184 358 HG21 VAL 44 3HG2 VAL 44 14.310 13.411 6.843 359 HG22 VAL 44 1HG2 VAL 44 12.850 14.310 6.425 360 HG23 VAL 44 2HG2 VAL 44 14.086 15.057 7.435 361 H ASN 45 H ASN 45 16.674 13.224 3.346 362 HA ASN 45 HA ASN 45 16.345 10.413 3.988 363 HB2 ASN 45 2HB ASN 45 17.512 11.343 1.909 364 HB3 ASN 45 3HB ASN 45 18.859 11.754 2.965 365 HD21 ASN 45 1HD2 ASN 45 20.079 10.076 3.885 366 HD22 ASN 45 2HD2 ASN 45 20.017 8.462 3.259 367 H LYS 46 H LYS 46 16.963 12.910 5.921 368 HA LYS 46 HA LYS 46 18.590 11.313 7.759 369 HB2 LYS 46 2HB LYS 46 20.078 13.107 8.297 370 HB3 LYS 46 3HB LYS 46 20.102 12.910 6.554 371 HG2 LYS 46 2HG LYS 46 18.434 14.988 7.952 372 HG3 LYS 46 3HG LYS 46 20.085 15.277 7.411 373 HD2 LYS 46 2HD LYS 46 19.425 14.844 5.099 374 HD3 LYS 46 3HD LYS 46 17.777 14.477 5.620 375 HE2 LYS 46 2HE LYS 46 17.458 16.746 6.385 376 HE3 LYS 46 3HE LYS 46 19.149 17.132 6.062 377 HZ1 LYS 46 3HZ LYS 46 18.776 16.895 3.733 378 HZ2 LYS 46 1HZ LYS 46 17.592 17.935 4.344 379 HZ3 LYS 46 2HZ LYS 46 17.200 16.332 3.968 380 H ALA 47 H ALA 47 18.393 12.021 10.031 381 HA ALA 47 HA ALA 47 15.674 13.093 10.456 382 HB1 ALA 47 3HB ALA 47 17.244 11.189 12.188 383 HB2 ALA 47 1HB ALA 47 15.961 10.749 11.060 384 HB3 ALA 47 2HB ALA 47 15.592 11.737 12.475 385 H GLU 48 H GLU 48 18.610 14.361 10.608 386 HA GLU 48 HA GLU 48 18.784 15.320 13.271 387 HB2 GLU 48 2HB GLU 48 20.359 17.079 12.174 388 HB3 GLU 48 3HB GLU 48 20.833 15.394 12.231 389 HG2 GLU 48 2HG GLU 48 21.422 16.079 10.099 390 HG3 GLU 48 3HG GLU 48 19.912 15.216 9.857 391 H LYS 49 H LYS 49 17.262 16.705 10.377 392 HA LYS 49 HA LYS 49 16.126 18.824 12.104 393 HB2 LYS 49 2HB LYS 49 16.557 18.766 9.112 394 HB3 LYS 49 3HB LYS 49 15.606 20.000 9.926 395 HG2 LYS 49 2HG LYS 49 17.555 20.731 11.168 396 HG3 LYS 49 3HG LYS 49 18.520 19.438 10.454 397 HD2 LYS 49 2HD LYS 49 18.159 20.412 8.222 398 HD3 LYS 49 3HD LYS 49 17.212 21.710 8.949 399 HE2 LYS 49 2HE LYS 49 19.512 22.416 8.455 400 HE3 LYS 49 3HE LYS 49 19.156 22.484 10.181 401 HZ1 LYS 49 3HZ LYS 49 20.491 20.152 8.935 402 HZ2 LYS 49 1HZ LYS 49 20.413 20.561 10.571 403 HZ3 LYS 49 2HZ LYS 49 21.358 21.484 9.517 404 H SER 50 H SER 50 15.204 15.946 11.535 405 HA SER 50 HA SER 50 12.910 15.952 9.909 406 HG SER 50 HG SER 50 13.422 13.181 12.855 407 HB2 SER 50 2HB SER 50 12.294 13.863 11.052 408 HB3 SER 50 3HB SER 50 14.013 13.881 10.657 409 H GLU 51 H GLU 51 10.647 15.668 10.604 410 HA GLU 51 HA GLU 51 9.964 17.064 13.106 411 HB2 GLU 51 2HB GLU 51 9.775 18.644 11.226 412 HB3 GLU 51 3HB GLU 51 8.668 17.547 10.413 413 HG2 GLU 51 2HG GLU 51 6.961 17.938 11.975 414 HG3 GLU 51 3HG GLU 51 8.071 18.675 13.133 415 H ALA 52 H ALA 52 8.724 15.024 10.463 416 HA ALA 52 HA ALA 52 7.388 13.367 12.510 417 HB1 ALA 52 3HB ALA 52 5.693 14.677 11.286 418 HB2 ALA 52 1HB ALA 52 5.528 12.943 11.008 419 HB3 ALA 52 2HB ALA 52 6.257 13.969 9.773 420 H ILE 53 H ILE 53 7.296 11.081 12.009 421 HA ILE 53 HA ILE 53 9.064 10.226 9.804 422 HB ILE 53 HB ILE 53 9.167 9.183 12.646 423 HG12 ILE 53 2HG1 ILE 53 11.191 10.638 10.924 424 HG13 ILE 53 3HG1 ILE 53 10.410 11.253 12.372 425 HG21 ILE 53 1HG2 ILE 53 10.924 7.646 11.841 426 HG22 ILE 53 2HG2 ILE 53 10.604 8.165 10.187 427 HG23 ILE 53 3HG2 ILE 53 9.358 7.316 11.102 428 HD11 ILE 53 3HD1 ILE 53 11.575 9.575 13.708 429 HD12 ILE 53 1HD1 ILE 53 12.700 10.597 12.813 430 HD13 ILE 53 2HD1 ILE 53 12.359 8.962 12.251 431 H ILE 54 H ILE 54 8.246 8.672 8.554 432 HA ILE 54 HA ILE 54 5.960 7.088 9.563 433 HB ILE 54 HB ILE 54 6.693 7.673 6.676 434 HG12 ILE 54 2HG1 ILE 54 4.385 8.836 6.746 435 HG13 ILE 54 3HG1 ILE 54 4.553 8.800 8.495 436 HG21 ILE 54 1HG2 ILE 54 4.571 6.567 6.115 437 HG22 ILE 54 2HG2 ILE 54 4.340 6.156 7.813 438 HG23 ILE 54 3HG2 ILE 54 5.694 5.468 6.916 439 HD11 ILE 54 3HD1 ILE 54 5.216 10.946 7.596 440 HD12 ILE 54 1HD1 ILE 54 6.413 10.166 6.563 441 HD13 ILE 54 2HD1 ILE 54 6.601 10.126 8.316 442 H GLN 55 H GLN 55 6.378 5.010 10.004 443 HA GLN 55 HA GLN 55 8.604 3.673 8.581 444 HB2 GLN 55 2HB GLN 55 9.106 4.025 10.966 445 HB3 GLN 55 3HB GLN 55 7.636 3.164 11.408 446 HG2 GLN 55 2HG GLN 55 8.515 1.121 10.406 447 HG3 GLN 55 3HG GLN 55 9.977 1.976 9.921 448 HE21 GLN 55 1HE2 GLN 55 9.711 -0.353 11.622 449 HE22 GLN 55 2HE2 GLN 55 10.445 0.073 13.128 450 H ILE 56 H ILE 56 7.803 2.286 7.128 451 HA ILE 56 HA ILE 56 5.236 1.002 7.492 452 HB ILE 56 HB ILE 56 5.956 1.762 5.265 453 HG12 ILE 56 2HG1 ILE 56 4.419 -0.304 5.647 454 HG13 ILE 56 3HG1 ILE 56 5.040 0.005 4.032 455 HG21 ILE 56 1HG2 ILE 56 7.689 0.545 4.012 456 HG22 ILE 56 2HG2 ILE 56 8.090 -0.358 5.472 457 HG23 ILE 56 3HG2 ILE 56 8.330 1.390 5.420 458 HD11 ILE 56 3HD1 ILE 56 6.745 -1.710 4.356 459 HD12 ILE 56 1HD1 ILE 56 5.121 -2.354 4.586 460 HD13 ILE 56 2HD1 ILE 56 6.136 -2.008 5.984 461 H VAL 57 H VAL 57 4.866 -0.993 8.305 462 HA VAL 57 HA VAL 57 7.028 -2.388 9.597 463 HB VAL 57 HB VAL 57 4.120 -3.212 9.361 464 HG11 VAL 57 1HG1 VAL 57 4.587 -4.592 11.349 465 HG12 VAL 57 2HG1 VAL 57 6.290 -4.143 11.251 466 HG13 VAL 57 3HG1 VAL 57 5.550 -5.088 9.958 467 HG21 VAL 57 3HG2 VAL 57 4.370 -1.014 10.420 468 HG22 VAL 57 1HG2 VAL 57 5.524 -1.695 11.569 469 HG23 VAL 57 2HG2 VAL 57 3.842 -2.230 11.585 470 H HIS 58 H HIS 58 4.530 -3.665 7.357 471 HA HIS 58 HA HIS 58 6.477 -4.907 5.660 472 HD1 HIS 58 HD1 HIS 58 7.999 -7.144 5.372 473 HD2 HIS 58 HD2 HIS 58 4.228 -8.856 5.753 474 HE1 HIS 58 HE1 HIS 58 7.994 -9.124 3.831 475 HE2 HIS 58 HE2 HIS 58 5.786 -10.251 4.236 476 HB2 HIS 58 2HB HIS 58 6.490 -6.468 7.598 477 HB3 HIS 58 3HB HIS 58 4.766 -6.740 7.365 478 H ALA 59 H ALA 59 5.603 -5.714 3.736 479 HA ALA 59 HA ALA 59 2.717 -5.216 3.317 480 HB1 ALA 59 3HB ALA 59 4.167 -3.667 2.081 481 HB2 ALA 59 1HB ALA 59 3.250 -4.706 0.989 482 HB3 ALA 59 2HB ALA 59 4.956 -5.034 1.295 483 H ILE 60 H ILE 60 1.544 -7.000 2.955 484 HA ILE 60 HA ILE 60 2.882 -9.473 2.080 485 HB ILE 60 HB ILE 60 0.150 -9.166 3.359 486 HG12 ILE 60 2HG1 ILE 60 1.354 -10.380 5.306 487 HG13 ILE 60 3HG1 ILE 60 2.847 -9.843 4.548 488 HG21 ILE 60 1HG2 ILE 60 1.772 -11.644 2.760 489 HG22 ILE 60 2HG2 ILE 60 0.303 -11.131 1.930 490 HG23 ILE 60 3HG2 ILE 60 0.235 -11.603 3.626 491 HD11 ILE 60 3HD1 ILE 60 0.630 -8.069 5.552 492 HD12 ILE 60 1HD1 ILE 60 2.122 -7.519 4.789 493 HD13 ILE 60 2HD1 ILE 60 2.181 -8.353 6.342 494 H ARG 61 H ARG 61 2.682 -9.941 -0.028 495 HA ARG 61 HA ARG 61 0.098 -9.391 -1.359 496 HE ARG 61 HE ARG 61 4.522 -7.297 -2.413 497 HB2 ARG 61 2HB ARG 61 1.336 -9.306 -3.494 498 HB3 ARG 61 3HB ARG 61 1.878 -8.072 -2.366 499 HG2 ARG 61 2HG ARG 61 3.818 -9.511 -1.789 500 HG3 ARG 61 3HG ARG 61 3.292 -10.656 -3.023 501 HD2 ARG 61 2HD ARG 61 4.990 -9.307 -4.002 502 HD3 ARG 61 3HD ARG 61 3.456 -8.782 -4.696 503 HH11 ARG 61 1HH1 ARG 61 3.898 -7.429 -5.797 504 HH12 ARG 61 2HH1 ARG 61 4.185 -5.740 -6.020 505 HH21 ARG 61 1HH2 ARG 61 4.901 -5.141 -2.715 506 HH22 ARG 61 2HH2 ARG 61 4.728 -4.455 -4.297 507 H GLU 62 H GLU 62 -1.068 -11.163 -1.792 508 HA GLU 62 HA GLU 62 0.298 -13.720 -2.287 509 HB2 GLU 62 2HB GLU 62 -1.599 -13.113 -0.043 510 HB3 GLU 62 3HB GLU 62 -1.549 -14.734 -0.722 511 HG2 GLU 62 2HG GLU 62 0.897 -13.316 0.310 512 HG3 GLU 62 3HG GLU 62 -0.125 -14.341 1.318 513 H LYS 63 H LYS 63 -0.811 -15.230 -3.477 514 HA LYS 63 HA LYS 63 -3.407 -14.410 -4.630 515 HB2 LYS 63 2HB LYS 63 -1.235 -16.128 -5.874 516 HB3 LYS 63 3HB LYS 63 -2.766 -15.710 -6.631 517 HG2 LYS 63 2HG LYS 63 -2.125 -13.332 -6.595 518 HG3 LYS 63 3HG LYS 63 -0.583 -13.769 -5.863 519 HD2 LYS 63 2HD LYS 63 -0.272 -13.421 -8.232 520 HD3 LYS 63 3HD LYS 63 -0.057 -15.132 -7.869 521 HE2 LYS 63 2HE LYS 63 -2.298 -15.616 -8.676 522 HE3 LYS 63 3HE LYS 63 -2.593 -13.898 -8.953 523 HZ1 LYS 63 3HZ LYS 63 -0.747 -13.940 -10.574 524 HZ2 LYS 63 1HZ LYS 63 -2.038 -14.940 -11.015 525 HZ3 LYS 63 2HZ LYS 63 -0.629 -15.617 -10.370 526 H ARG 64 H ARG 64 -5.101 -15.683 -4.128 527 HA ARG 64 HA ARG 64 -4.723 -18.518 -3.516 528 HE ARG 64 HE ARG 64 -7.836 -16.179 0.131 529 HB2 ARG 64 2HB ARG 64 -6.252 -18.082 -1.421 530 HB3 ARG 64 3HB ARG 64 -4.513 -17.849 -1.320 531 HG2 ARG 64 2HG ARG 64 -4.812 -15.438 -1.628 532 HG3 ARG 64 3HG ARG 64 -6.557 -15.665 -1.741 533 HD2 ARG 64 2HD ARG 64 -4.998 -16.582 0.666 534 HD3 ARG 64 3HD ARG 64 -5.573 -14.923 0.517 535 HH11 ARG 64 1HH1 ARG 64 -5.379 -16.974 2.421 536 HH12 ARG 64 2HH1 ARG 64 -6.512 -17.592 3.573 537 HH21 ARG 64 1HH2 ARG 64 -9.265 -16.951 1.614 538 HH22 ARG 64 2HH2 ARG 64 -8.693 -17.561 3.127 539 H ILE 65 H ILE 65 -7.279 -19.095 -2.498 540 HA ILE 65 HA ILE 65 -8.933 -18.560 -4.890 541 HB ILE 65 HB ILE 65 -8.457 -21.038 -3.303 542 HG12 ILE 65 2HG1 ILE 65 -7.388 -20.650 -5.504 543 HG13 ILE 65 3HG1 ILE 65 -8.420 -22.077 -5.504 544 HG21 ILE 65 1HG2 ILE 65 -10.845 -20.805 -3.000 545 HG22 ILE 65 2HG2 ILE 65 -10.520 -22.093 -4.158 546 HG23 ILE 65 3HG2 ILE 65 -11.070 -20.517 -4.726 547 HD11 ILE 65 3HD1 ILE 65 -10.180 -20.800 -6.632 548 HD12 ILE 65 1HD1 ILE 65 -8.676 -20.802 -7.553 549 HD13 ILE 65 2HD1 ILE 65 -9.138 -19.375 -6.630 550 H LEU 66 H LEU 66 -10.985 -17.875 -4.722 551 HA LEU 66 HA LEU 66 -12.078 -17.216 -2.092 552 HG LEU 66 HG LEU 66 -14.936 -16.588 -3.272 553 HB2 LEU 66 2HB LEU 66 -12.162 -15.501 -3.815 554 HB3 LEU 66 3HB LEU 66 -13.016 -16.582 -4.896 555 HD11 LEU 66 1HD1 LEU 66 -13.362 -14.376 -1.957 556 HD12 LEU 66 2HD1 LEU 66 -13.753 -15.948 -1.258 557 HD13 LEU 66 3HD1 LEU 66 -15.041 -14.793 -1.605 558 HD21 LEU 66 3HD2 LEU 66 -14.975 -15.189 -5.266 559 HD22 LEU 66 1HD2 LEU 66 -14.137 -13.902 -4.397 560 HD23 LEU 66 2HD2 LEU 66 -15.766 -14.378 -3.916 561 H SER 67 H SER 67 -13.037 -19.060 -4.996 562 HA SER 67 HA SER 67 -14.753 -20.778 -3.365 563 HG SER 67 HG SER 67 -17.830 -20.213 -5.053 564 HB2 SER 67 2HB SER 67 -16.259 -18.955 -4.025 565 HB3 SER 67 3HB SER 67 -15.834 -19.195 -5.719 566 H LEU 68 H LEU 68 -15.341 -22.769 -4.390 567 HA LEU 68 HA LEU 68 -13.804 -23.405 -6.835 568 HG LEU 68 HG LEU 68 -12.297 -23.440 -4.151 569 HB2 LEU 68 2HB LEU 68 -14.123 -25.113 -4.363 570 HB3 LEU 68 3HB LEU 68 -13.413 -25.670 -5.866 571 HD11 LEU 68 1HD1 LEU 68 -11.345 -26.283 -4.505 572 HD12 LEU 68 2HD1 LEU 68 -12.110 -25.623 -3.058 573 HD13 LEU 68 3HD1 LEU 68 -10.532 -25.022 -3.573 574 HD21 LEU 68 3HD2 LEU 68 -10.336 -23.606 -5.610 575 HD22 LEU 68 1HD2 LEU 68 -11.777 -23.158 -6.523 576 HD23 LEU 68 2HD2 LEU 68 -11.165 -24.812 -6.596 577 H SER 69 H SER 69 -14.835 -24.554 -8.392 578 HA SER 69 HA SER 69 -17.615 -25.305 -8.007 579 HG SER 69 HG SER 69 -15.671 -25.933 -11.448 580 HB2 SER 69 2HB SER 69 -17.510 -25.918 -10.448 581 HB3 SER 69 3HB SER 69 -17.118 -24.234 -10.106 582 H GLU 70 H GLU 70 -18.412 -27.352 -7.900 583 HA GLU 70 HA GLU 70 -18.462 -29.549 -7.343 584 HB2 GLU 70 2HB GLU 70 -16.113 -29.777 -9.244 585 HB3 GLU 70 3HB GLU 70 -17.184 -31.080 -8.747 586 HG2 GLU 70 2HG GLU 70 -17.951 -28.665 -10.386 587 HG3 GLU 70 3HG GLU 70 -17.736 -30.307 -10.985 588 H SER 71 H SER 71 -16.677 -27.685 -5.847 589 HA SER 71 HA SER 71 -15.350 -27.730 -4.010 590 HG SER 71 HG SER 71 -17.294 -30.330 -2.574 591 HB2 SER 71 2HB SER 71 -15.726 -30.735 -4.174 592 HB3 SER 71 3HB SER 71 -15.029 -29.873 -2.802 593 H GLY 72 H GLY 72 -14.213 -28.180 -6.846 594 HA2 GLY 72 2HA GLY 72 -11.467 -28.698 -5.920 595 HA3 GLY 72 3HA GLY 72 -12.089 -29.704 -7.218 596 H ARG 73 H ARG 73 -13.251 -28.146 -8.985 597 HA ARG 73 HA ARG 73 -11.074 -26.826 -10.240 598 HE ARG 73 HE ARG 73 -11.233 -24.822 -14.166 599 HB2 ARG 73 2HB ARG 73 -12.934 -27.974 -11.445 600 HB3 ARG 73 3HB ARG 73 -14.015 -26.681 -10.949 601 HG2 ARG 73 2HG ARG 73 -13.374 -26.246 -13.195 602 HG3 ARG 73 3HG ARG 73 -12.531 -25.075 -12.178 603 HD2 ARG 73 2HD ARG 73 -10.551 -26.659 -12.221 604 HD3 ARG 73 3HD ARG 73 -11.409 -27.557 -13.473 605 HH11 ARG 73 1HH1 ARG 73 -9.364 -27.706 -14.004 606 HH12 ARG 73 2HH1 ARG 73 -8.210 -27.162 -15.171 607 HH21 ARG 73 1HH2 ARG 73 -9.732 -24.119 -15.664 608 HH22 ARG 73 2HH2 ARG 73 -8.422 -25.156 -16.106 609 H VAL 74 H VAL 74 -10.810 -24.594 -10.783 610 HA VAL 74 HA VAL 74 -11.426 -22.783 -8.672 611 HB VAL 74 HB VAL 74 -10.223 -22.261 -11.404 612 HG11 VAL 74 1HG1 VAL 74 -10.394 -20.439 -8.998 613 HG12 VAL 74 2HG1 VAL 74 -11.177 -20.198 -10.560 614 HG13 VAL 74 3HG1 VAL 74 -9.419 -20.128 -10.436 615 HG21 VAL 74 3HG2 VAL 74 -8.928 -22.582 -8.690 616 HG22 VAL 74 1HG2 VAL 74 -8.091 -22.181 -10.191 617 HG23 VAL 74 2HG2 VAL 74 -8.878 -23.748 -10.011 618 H ARG 75 H ARG 75 -13.101 -21.440 -8.402 619 HA ARG 75 HA ARG 75 -14.821 -20.711 -10.691 620 HE ARG 75 HE ARG 75 -18.373 -23.580 -7.189 621 HB2 ARG 75 2HB ARG 75 -15.199 -20.449 -7.700 622 HB3 ARG 75 3HB ARG 75 -16.278 -19.692 -8.864 623 HG2 ARG 75 2HG ARG 75 -16.783 -21.955 -9.771 624 HG3 ARG 75 3HG ARG 75 -15.820 -22.638 -8.458 625 HD2 ARG 75 2HD ARG 75 -17.293 -21.598 -6.814 626 HD3 ARG 75 3HD ARG 75 -18.236 -20.858 -8.106 627 HH11 ARG 75 1HH1 ARG 75 -19.034 -21.434 -9.807 628 HH12 ARG 75 2HH1 ARG 75 -20.252 -22.459 -10.478 629 HH21 ARG 75 1HH2 ARG 75 -19.960 -24.871 -8.057 630 HH22 ARG 75 2HH2 ARG 75 -20.775 -24.368 -9.503 631 H GLU 76 H GLU 76 -13.720 -19.086 -7.748 632 HA GLU 76 HA GLU 76 -13.044 -16.678 -9.314 633 HB2 GLU 76 2HB GLU 76 -14.329 -16.819 -6.569 634 HB3 GLU 76 3HB GLU 76 -13.818 -15.340 -7.372 635 HG2 GLU 76 2HG GLU 76 -15.492 -15.536 -9.026 636 HG3 GLU 76 3HG GLU 76 -15.836 -17.209 -8.587 637 H PHE 77 H PHE 77 -10.980 -16.085 -9.095 638 HA PHE 77 HA PHE 77 -9.321 -17.327 -7.050 639 HD1 PHE 77 HD1 PHE 77 -7.523 -18.897 -8.215 640 HD2 PHE 77 HD2 PHE 77 -6.269 -14.830 -8.351 641 HE1 PHE 77 HE1 PHE 77 -5.264 -19.574 -7.521 642 HE2 PHE 77 HE2 PHE 77 -4.013 -15.504 -7.656 643 HZ PHE 77 HZ PHE 77 -3.505 -17.876 -7.240 644 HB2 PHE 77 2HB PHE 77 -8.740 -17.092 -9.557 645 HB3 PHE 77 3HB PHE 77 -8.375 -15.411 -9.181 646 H GLU 78 H GLU 78 -8.587 -16.304 -5.266 647 HA GLU 78 HA GLU 78 -9.530 -13.563 -4.803 648 HB2 GLU 78 2HB GLU 78 -10.242 -15.412 -3.277 649 HB3 GLU 78 3HB GLU 78 -8.564 -15.615 -2.797 650 HG2 GLU 78 2HG GLU 78 -8.542 -13.337 -1.898 651 HG3 GLU 78 3HG GLU 78 -10.225 -13.133 -2.385 652 H LEU 79 H LEU 79 -8.083 -12.009 -5.132 653 HA LEU 79 HA LEU 79 -5.234 -12.449 -4.549 654 HG LEU 79 HG LEU 79 -6.898 -11.946 -7.315 655 HB2 LEU 79 2HB LEU 79 -6.549 -10.029 -5.807 656 HB3 LEU 79 3HB LEU 79 -4.831 -10.382 -5.750 657 HD11 LEU 79 1HD1 LEU 79 -6.507 -9.753 -8.279 658 HD12 LEU 79 2HD1 LEU 79 -5.795 -11.011 -9.290 659 HD13 LEU 79 3HD1 LEU 79 -4.765 -10.026 -8.249 660 HD21 LEU 79 3HD2 LEU 79 -4.967 -13.099 -8.298 661 HD22 LEU 79 1HD2 LEU 79 -5.089 -13.385 -6.561 662 HD23 LEU 79 2HD2 LEU 79 -3.895 -12.247 -7.187 663 H VAL 80 H VAL 80 -4.232 -11.476 -2.801 664 HA VAL 80 HA VAL 80 -5.770 -9.448 -1.319 665 HB VAL 80 HB VAL 80 -6.205 -11.566 -0.210 666 HG11 VAL 80 1HG1 VAL 80 -4.417 -12.861 0.856 667 HG12 VAL 80 2HG1 VAL 80 -3.214 -11.795 0.132 668 HG13 VAL 80 3HG1 VAL 80 -4.227 -12.810 -0.896 669 HG21 VAL 80 3HG2 VAL 80 -6.047 -9.544 1.164 670 HG22 VAL 80 1HG2 VAL 80 -4.324 -9.837 1.411 671 HG23 VAL 80 2HG2 VAL 80 -5.515 -10.966 2.057 672 H TYR 81 H TYR 81 -4.651 -7.748 -0.667 673 HA TYR 81 HA TYR 81 -1.729 -7.945 -0.315 674 HD1 TYR 81 HD2 TYR 81 0.241 -7.179 -1.763 675 HD2 TYR 81 HD1 TYR 81 -2.071 -3.654 -1.151 676 HE1 TYR 81 HE2 TYR 81 2.307 -5.863 -1.564 677 HE2 TYR 81 HE1 TYR 81 -0.006 -2.334 -0.955 678 HH TYR 81 HH TYR 81 2.365 -2.698 -0.377 679 HB2 TYR 81 2HB TYR 81 -2.276 -6.899 -2.516 680 HB3 TYR 81 3HB TYR 81 -3.172 -5.645 -1.670 681 H ARG 82 H ARG 82 -1.218 -7.398 1.723 682 HA ARG 82 HA ARG 82 -2.938 -5.462 3.160 683 HE ARG 82 HE ARG 82 -2.129 -9.758 5.740 684 HB2 ARG 82 2HB ARG 82 -1.592 -7.922 4.306 685 HB3 ARG 82 3HB ARG 82 -2.528 -6.749 5.225 686 HG2 ARG 82 2HG ARG 82 -4.524 -7.331 3.912 687 HG3 ARG 82 3HG ARG 82 -3.579 -8.531 3.028 688 HD2 ARG 82 2HD ARG 82 -4.121 -8.531 6.002 689 HD3 ARG 82 3HD ARG 82 -4.903 -9.568 4.811 690 HH11 ARG 82 1HH1 ARG 82 -4.701 -11.044 3.833 691 HH12 ARG 82 2HH1 ARG 82 -3.923 -12.568 3.618 692 HH21 ARG 82 1HH2 ARG 82 -1.161 -11.715 5.477 693 HH22 ARG 82 2HH2 ARG 82 -1.933 -12.942 4.530 694 H VAL 83 H VAL 83 -1.937 -3.778 4.128 695 HA VAL 83 HA VAL 83 0.997 -3.896 4.465 696 HB VAL 83 HB VAL 83 -0.605 -1.456 3.651 697 HG11 VAL 83 1HG1 VAL 83 2.377 -1.817 4.020 698 HG12 VAL 83 2HG1 VAL 83 1.304 -0.866 5.048 699 HG13 VAL 83 3HG1 VAL 83 1.594 -0.370 3.380 700 HG21 VAL 83 3HG2 VAL 83 0.579 -1.628 1.503 701 HG22 VAL 83 1HG2 VAL 83 -0.411 -3.055 1.814 702 HG23 VAL 83 2HG2 VAL 83 1.335 -3.129 2.044 703 H ALA 84 H ALA 84 1.744 -3.452 6.441 704 HA ALA 84 HA ALA 84 -0.000 -2.023 8.360 705 HB1 ALA 84 3HB ALA 84 1.297 -3.116 10.140 706 HB2 ALA 84 1HB ALA 84 2.264 -3.948 8.922 707 HB3 ALA 84 2HB ALA 84 0.543 -4.299 9.070 708 H ALA 85 H ALA 85 0.823 -0.213 9.452 709 HA ALA 85 HA ALA 85 3.578 0.614 8.878 710 HB1 ALA 85 3HB ALA 85 2.921 2.788 8.034 711 HB2 ALA 85 1HB ALA 85 1.216 2.387 8.245 712 HB3 ALA 85 2HB ALA 85 2.185 1.521 7.053 713 H ARG 86 H ARG 86 4.185 2.635 10.057 714 HA ARG 86 HA ARG 86 2.727 3.005 12.598 715 HE ARG 86 HE ARG 86 5.075 -1.250 14.181 716 HB2 ARG 86 2HB ARG 86 5.738 2.807 12.300 717 HB3 ARG 86 3HB ARG 86 4.868 3.118 13.796 718 HG2 ARG 86 2HG ARG 86 3.901 0.907 13.750 719 HG3 ARG 86 3HG ARG 86 4.627 0.586 12.173 720 HD2 ARG 86 2HD ARG 86 6.864 0.812 13.174 721 HD3 ARG 86 3HD ARG 86 6.124 1.097 14.748 722 HH11 ARG 86 1HH1 ARG 86 8.326 -0.180 13.716 723 HH12 ARG 86 2HH1 ARG 86 8.987 -1.762 13.935 724 HH21 ARG 86 1HH2 ARG 86 5.947 -3.265 14.463 725 HH22 ARG 86 2HH2 ARG 86 7.656 -3.483 14.343 726 H LEU 87 H LEU 87 2.722 5.113 13.405 727 HA LEU 87 HA LEU 87 3.964 7.162 11.672 728 HG LEU 87 HG LEU 87 2.597 9.080 10.960 729 HB2 LEU 87 2HB LEU 87 1.417 6.892 11.641 730 HB3 LEU 87 3HB LEU 87 1.429 7.524 13.272 731 HD11 LEU 87 1HD1 LEU 87 -0.242 9.208 11.981 732 HD12 LEU 87 2HD1 LEU 87 0.263 8.527 10.434 733 HD13 LEU 87 3HD1 LEU 87 0.479 10.248 10.750 734 HD21 LEU 87 3HD2 LEU 87 2.140 11.007 12.418 735 HD22 LEU 87 1HD2 LEU 87 3.233 9.855 13.186 736 HD23 LEU 87 2HD2 LEU 87 1.536 9.916 13.666 737 H LEU 88 H LEU 88 5.657 8.015 12.708 738 HA LEU 88 HA LEU 88 5.497 8.411 15.635 739 HG LEU 88 HG LEU 88 6.202 5.899 15.207 740 HB2 LEU 88 2HB LEU 88 8.062 7.965 14.104 741 HB3 LEU 88 3HB LEU 88 7.818 7.927 15.839 742 HD11 LEU 88 1HD1 LEU 88 7.112 4.568 13.376 743 HD12 LEU 88 2HD1 LEU 88 8.239 5.868 12.985 744 HD13 LEU 88 3HD1 LEU 88 6.502 6.118 12.797 745 HD21 LEU 88 3HD2 LEU 88 8.036 4.362 15.675 746 HD22 LEU 88 1HD2 LEU 88 8.109 5.770 16.731 747 HD23 LEU 88 2HD2 LEU 88 9.207 5.640 15.356 748 H ASP 89 H ASP 89 7.208 10.082 16.392 749 HA ASP 89 HA ASP 89 6.744 12.531 14.874 750 HB2 ASP 89 2HB ASP 89 7.342 13.696 16.864 751 HB3 ASP 89 3HB ASP 89 6.373 12.318 17.381 752 H ALA 90 H ALA 90 8.823 14.130 15.480 753 HA ALA 90 HA ALA 90 10.771 13.683 13.591 754 HB1 ALA 90 3HB ALA 90 12.035 15.462 14.649 755 HB2 ALA 90 1HB ALA 90 11.105 15.274 16.136 756 HB3 ALA 90 2HB ALA 90 10.316 15.850 14.668 757 H HIS 91 H HIS 91 10.919 12.790 17.038 758 HA HIS 91 HA HIS 91 13.652 11.787 16.673 759 HD1 HIS 91 HD1 HIS 91 15.371 13.490 18.215 760 HD2 HIS 91 HD2 HIS 91 11.543 14.769 19.209 761 HE1 HIS 91 HE1 HIS 91 15.515 15.988 18.368 762 HE2 HIS 91 HE2 HIS 91 13.162 16.744 18.812 763 HB2 HIS 91 2HB HIS 91 11.994 12.062 19.195 764 HB3 HIS 91 3HB HIS 91 13.693 11.593 19.128 765 H ASN 92 H ASN 92 10.819 10.534 15.981 766 HA ASN 92 HA ASN 92 10.060 8.453 15.559 767 HB2 ASN 92 2HB ASN 92 12.388 8.097 14.756 768 HB3 ASN 92 3HB ASN 92 12.819 7.501 16.354 769 HD21 ASN 92 1HD2 ASN 92 11.025 6.850 13.456 770 HD22 ASN 92 2HD2 ASN 92 10.782 5.168 13.754 771 H ALA 93 H ALA 93 8.730 8.918 17.519 772 HA ALA 93 HA ALA 93 8.953 6.552 19.266 773 HB1 ALA 93 3HB ALA 93 7.959 9.276 20.117 774 HB2 ALA 93 1HB ALA 93 9.489 8.539 20.593 775 HB3 ALA 93 2HB ALA 93 7.963 7.819 21.112 776 H GLU 94 H GLU 94 6.966 5.536 19.757 777 HA GLU 94 HA GLU 94 5.089 5.770 17.592 778 HB2 GLU 94 2HB GLU 94 4.000 3.772 18.576 779 HB3 GLU 94 3HB GLU 94 5.712 3.552 18.264 780 HG2 GLU 94 2HG GLU 94 4.609 4.222 20.990 781 HG3 GLU 94 3HG GLU 94 4.824 2.573 20.411 782 H LEU 95 H LEU 95 4.560 8.065 18.444 783 HA LEU 95 HA LEU 95 2.604 8.242 20.534 784 HG LEU 95 HG LEU 95 4.047 11.650 20.206 785 HB2 LEU 95 2HB LEU 95 3.443 10.129 18.334 786 HB3 LEU 95 3HB LEU 95 2.110 10.508 19.407 787 HD11 LEU 95 1HD1 LEU 95 2.600 10.741 21.928 788 HD12 LEU 95 2HD1 LEU 95 4.279 10.756 22.465 789 HD13 LEU 95 3HD1 LEU 95 3.532 9.243 21.949 790 HD21 LEU 95 3HD2 LEU 95 5.769 10.310 19.112 791 HD22 LEU 95 1HD2 LEU 95 5.474 8.989 20.244 792 HD23 LEU 95 2HD2 LEU 95 6.121 10.525 20.826 793 H ALA 96 H ALA 96 2.511 7.396 17.192 794 HA ALA 96 HA ALA 96 -0.430 7.222 17.308 795 HB1 ALA 96 3HB ALA 96 -0.556 7.952 14.973 796 HB2 ALA 96 1HB ALA 96 1.188 8.212 14.959 797 HB3 ALA 96 2HB ALA 96 0.158 9.193 16.003 798 H SER 97 H SER 97 -0.632 5.015 17.485 799 HA SER 97 HA SER 97 0.897 3.197 15.843 800 HG SER 97 HG SER 97 0.025 3.048 18.956 801 HB2 SER 97 2HB SER 97 -1.568 2.702 17.544 802 HB3 SER 97 3HB SER 97 -0.620 1.442 16.749 803 H LEU 98 H LEU 98 0.564 3.601 13.710 804 HA LEU 98 HA LEU 98 -1.948 4.314 12.602 805 HG LEU 98 HG LEU 98 -1.533 3.688 9.667 806 HB2 LEU 98 2HB LEU 98 0.353 4.897 11.707 807 HB3 LEU 98 3HB LEU 98 0.442 3.258 11.090 808 HD11 LEU 98 1HD1 LEU 98 -1.347 6.483 10.793 809 HD12 LEU 98 2HD1 LEU 98 -2.660 5.333 11.045 810 HD13 LEU 98 3HD1 LEU 98 -2.364 5.994 9.439 811 HD21 LEU 98 3HD2 LEU 98 0.710 4.082 8.765 812 HD22 LEU 98 1HD2 LEU 98 0.663 5.743 9.352 813 HD23 LEU 98 2HD2 LEU 98 -0.454 5.220 8.089 814 H GLN 99 H GLN 99 -3.396 3.126 11.357 815 HA GLN 99 HA GLN 99 -3.519 0.337 12.119 816 HB2 GLN 99 2HB GLN 99 -5.505 2.161 10.769 817 HB3 GLN 99 3HB GLN 99 -5.809 0.451 11.048 818 HG2 GLN 99 2HG GLN 99 -5.335 2.573 13.134 819 HG3 GLN 99 3HG GLN 99 -6.841 1.717 12.799 820 HE21 GLN 99 1HE2 GLN 99 -6.975 -0.500 13.345 821 HE22 GLN 99 2HE2 GLN 99 -5.947 -1.179 14.554 822 H GLU 100 H GLU 100 -4.377 -1.275 10.547 823 HA GLU 100 HA GLU 100 -2.454 -1.407 8.384 824 HB2 GLU 100 2HB GLU 100 -3.026 -3.743 8.215 825 HB3 GLU 100 3HB GLU 100 -2.799 -3.330 9.907 826 HG2 GLU 100 2HG GLU 100 -5.507 -3.512 8.595 827 HG3 GLU 100 3HG GLU 100 -4.722 -4.869 9.392 828 H ILE 101 H ILE 101 -3.004 -2.163 6.259 829 HA ILE 101 HA ILE 101 -5.706 -1.401 5.330 830 HB ILE 101 HB ILE 101 -3.091 -1.181 3.810 831 HG12 ILE 101 2HG1 ILE 101 -4.882 1.011 4.905 832 HG13 ILE 101 3HG1 ILE 101 -3.350 0.512 5.614 833 HG21 ILE 101 1HG2 ILE 101 -4.931 -1.701 2.319 834 HG22 ILE 101 2HG2 ILE 101 -4.443 -0.020 2.096 835 HG23 ILE 101 3HG2 ILE 101 -5.901 -0.402 3.014 836 HD11 ILE 101 3HD1 ILE 101 -3.105 2.541 4.314 837 HD12 ILE 101 1HD1 ILE 101 -3.721 1.717 2.883 838 HD13 ILE 101 2HD1 ILE 101 -2.186 1.220 3.594 839 H ARG 102 H ARG 102 -6.819 -2.986 4.264 840 HA ARG 102 HA ARG 102 -5.317 -5.315 3.256 841 HE ARG 102 HE ARG 102 -10.250 -4.836 6.630 842 HB2 ARG 102 2HB ARG 102 -7.180 -6.780 4.104 843 HB3 ARG 102 3HB ARG 102 -6.176 -6.055 5.351 844 HG2 ARG 102 2HG ARG 102 -7.904 -4.353 5.746 845 HG3 ARG 102 3HG ARG 102 -8.913 -5.099 4.505 846 HD2 ARG 102 2HD ARG 102 -8.989 -7.172 5.816 847 HD3 ARG 102 3HD ARG 102 -7.969 -6.430 7.051 848 HH11 ARG 102 1HH1 ARG 102 -9.351 -7.867 8.026 849 HH12 ARG 102 2HH1 ARG 102 -10.650 -7.840 9.164 850 HH21 ARG 102 1HH2 ARG 102 -11.909 -4.830 8.090 851 HH22 ARG 102 2HH2 ARG 102 -12.093 -6.152 9.187 852 H LEU 103 H LEU 103 -5.575 -5.225 1.113 853 HA LEU 103 HA LEU 103 -8.236 -4.572 0.013 854 HG LEU 103 HG LEU 103 -5.995 -2.508 0.258 855 HB2 LEU 103 2HB LEU 103 -5.495 -4.417 -1.250 856 HB3 LEU 103 3HB LEU 103 -6.993 -4.110 -2.107 857 HD11 LEU 103 1HD1 LEU 103 -4.584 -2.172 -1.696 858 HD12 LEU 103 2HD1 LEU 103 -5.556 -0.738 -1.366 859 HD13 LEU 103 3HD1 LEU 103 -6.007 -1.825 -2.681 860 HD21 LEU 103 3HD2 LEU 103 -7.793 -0.942 -0.348 861 HD22 LEU 103 1HD2 LEU 103 -8.429 -2.520 0.116 862 HD23 LEU 103 2HD2 LEU 103 -8.347 -2.067 -1.586 863 H THR 104 H THR 104 -9.407 -6.244 -0.695 864 HA THR 104 HA THR 104 -8.000 -8.611 -1.792 865 HB THR 104 HB THR 104 -10.132 -9.868 -1.344 866 HG1 THR 104 HG1 THR 104 -11.708 -8.394 -1.070 867 HG21 THR 104 3HG2 THR 104 -8.770 -8.615 1.048 868 HG22 THR 104 1HG2 THR 104 -8.256 -10.067 0.190 869 HG23 THR 104 2HG2 THR 104 -9.772 -10.065 1.093 870 H ARG 105 H ARG 105 -8.112 -8.866 -3.913 871 HA ARG 105 HA ARG 105 -10.382 -7.695 -5.412 872 HE ARG 105 HE ARG 105 -10.219 -6.129 -4.580 873 HB2 ARG 105 2HB ARG 105 -7.579 -8.281 -6.400 874 HB3 ARG 105 3HB ARG 105 -8.868 -7.536 -7.334 875 HG2 ARG 105 2HG ARG 105 -7.714 -6.309 -4.831 876 HG3 ARG 105 3HG ARG 105 -7.110 -5.975 -6.452 877 HD2 ARG 105 2HD ARG 105 -8.588 -4.210 -5.923 878 HD3 ARG 105 3HD ARG 105 -9.455 -5.247 -7.053 879 HH11 ARG 105 1HH1 ARG 105 -10.326 -3.133 -6.268 880 HH12 ARG 105 2HH1 ARG 105 -11.689 -2.555 -5.378 881 HH21 ARG 105 1HH2 ARG 105 -11.990 -5.393 -3.466 882 HH22 ARG 105 2HH2 ARG 105 -12.629 -3.825 -3.818 883 H ILE 106 H ILE 106 -11.623 -9.054 -6.636 884 HA ILE 106 HA ILE 106 -10.886 -11.905 -6.585 885 HB ILE 106 HB ILE 106 -13.580 -10.644 -7.143 886 HG12 ILE 106 2HG1 ILE 106 -12.932 -10.275 -4.828 887 HG13 ILE 106 3HG1 ILE 106 -14.173 -11.521 -4.886 888 HG21 ILE 106 1HG2 ILE 106 -14.469 -12.916 -6.915 889 HG22 ILE 106 2HG2 ILE 106 -12.833 -13.544 -6.717 890 HG23 ILE 106 3HG2 ILE 106 -13.318 -12.812 -8.247 891 HD11 ILE 106 3HD1 ILE 106 -12.460 -12.100 -3.286 892 HD12 ILE 106 1HD1 ILE 106 -11.215 -11.972 -4.529 893 HD13 ILE 106 2HD1 ILE 106 -12.439 -13.238 -4.631 894 H LEU 107 H LEU 107 -10.013 -12.734 -8.358 895 HA LEU 107 HA LEU 107 -10.666 -11.639 -11.011 896 HG LEU 107 HG LEU 107 -7.261 -12.594 -12.212 897 HB2 LEU 107 2HB LEU 107 -8.250 -12.111 -10.023 898 HB3 LEU 107 3HB LEU 107 -8.582 -13.751 -10.536 899 HD11 LEU 107 1HD1 LEU 107 -8.622 -12.950 -14.191 900 HD12 LEU 107 2HD1 LEU 107 -10.086 -12.964 -13.206 901 HD13 LEU 107 3HD1 LEU 107 -8.883 -14.241 -13.018 902 HD21 LEU 107 3HD2 LEU 107 -8.118 -10.643 -13.417 903 HD22 LEU 107 1HD2 LEU 107 -7.904 -10.307 -11.699 904 HD23 LEU 107 2HD2 LEU 107 -9.520 -10.597 -12.345 905 HA PRO 108 HA PRO 108 -13.508 -15.210 -11.148 906 HB2 PRO 108 2HB PRO 108 -14.514 -14.622 -13.645 907 HB3 PRO 108 3HB PRO 108 -15.097 -13.900 -12.143 908 HG2 PRO 108 2HG PRO 108 -13.155 -12.800 -14.145 909 HG3 PRO 108 3HG PRO 108 -14.479 -11.975 -13.301 910 HD2 PRO 108 2HD PRO 108 -11.922 -11.693 -12.516 911 HD3 PRO 108 3HD PRO 108 -13.253 -11.742 -11.339 912 H PHE 109 H PHE 109 -13.833 -17.078 -12.568 913 HA PHE 109 HA PHE 109 -11.399 -18.178 -13.489 914 HD1 PHE 109 HD1 PHE 109 -10.936 -20.709 -13.123 915 HD2 PHE 109 HD2 PHE 109 -14.273 -20.579 -15.768 916 HE1 PHE 109 HE1 PHE 109 -10.046 -22.655 -14.338 917 HE2 PHE 109 HE2 PHE 109 -13.386 -22.523 -16.988 918 HZ PHE 109 HZ PHE 109 -11.269 -23.561 -16.276 919 HB2 PHE 109 2HB PHE 109 -13.205 -19.560 -12.560 920 HB3 PHE 109 3HB PHE 109 -14.231 -19.162 -13.931 921 H LEU 110 H LEU 110 -10.602 -16.777 -15.105 922 HA LEU 110 HA LEU 110 -11.920 -16.997 -17.731 923 HG LEU 110 HG LEU 110 -12.237 -14.540 -18.280 924 HB2 LEU 110 2HB LEU 110 -9.766 -15.192 -16.655 925 HB3 LEU 110 3HB LEU 110 -9.951 -15.420 -18.383 926 HD11 LEU 110 1HD1 LEU 110 -13.114 -13.511 -16.261 927 HD12 LEU 110 2HD1 LEU 110 -11.702 -14.056 -15.353 928 HD13 LEU 110 3HD1 LEU 110 -12.831 -15.236 -16.019 929 HD21 LEU 110 3HD2 LEU 110 -11.675 -12.208 -17.771 930 HD22 LEU 110 1HD2 LEU 110 -10.415 -12.999 -18.716 931 HD23 LEU 110 2HD2 LEU 110 -10.189 -12.740 -16.986 932 H ASP 111 H ASP 111 -11.427 -18.982 -18.540 933 HA ASP 111 HA ASP 111 -8.950 -20.300 -17.983 934 HB2 ASP 111 2HB ASP 111 -11.053 -21.533 -18.241 935 HB3 ASP 111 3HB ASP 111 -11.151 -21.036 -19.927 936 H ALA 112 H ALA 112 -10.284 -19.936 -21.267 937 HA ALA 112 HA ALA 112 -7.576 -19.872 -22.321 938 HB1 ALA 112 3HB ALA 112 -9.299 -21.349 -23.282 939 HB2 ALA 112 1HB ALA 112 -8.598 -20.255 -24.475 940 HB3 ALA 112 2HB ALA 112 -10.200 -19.928 -23.811 941 H GLN 113 H GLN 113 -8.715 -17.433 -20.966 942 HA GLN 113 HA GLN 113 -8.865 -15.522 -23.175 943 HB2 GLN 113 2HB GLN 113 -9.117 -15.023 -20.199 944 HB3 GLN 113 3HB GLN 113 -9.444 -13.863 -21.480 945 HG2 GLN 113 2HG GLN 113 -10.979 -16.383 -20.872 946 HG3 GLN 113 3HG GLN 113 -11.520 -14.721 -20.645 947 HE21 GLN 113 1HE2 GLN 113 -12.743 -16.849 -22.196 948 HE22 GLN 113 2HE2 GLN 113 -12.856 -16.263 -23.818 949 H GLU 114 H GLU 114 -6.746 -15.635 -23.933 950 HA GLU 114 HA GLU 114 -4.430 -15.583 -22.370 951 HB2 GLU 114 2HB GLU 114 -3.208 -15.202 -24.432 952 HB3 GLU 114 3HB GLU 114 -4.476 -16.389 -24.682 953 HG2 GLU 114 2HG GLU 114 -4.592 -13.495 -25.514 954 HG3 GLU 114 3HG GLU 114 -4.233 -14.852 -26.572 955 H LEU 115 H LEU 115 -5.884 -12.828 -24.178 956 HA LEU 115 HA LEU 115 -3.974 -10.952 -23.190 957 HG LEU 115 HG LEU 115 -5.199 -9.293 -26.219 958 HB2 LEU 115 2HB LEU 115 -6.480 -10.799 -24.779 959 HB3 LEU 115 3HB LEU 115 -6.010 -9.339 -23.932 960 HD11 LEU 115 1HD1 LEU 115 -3.853 -8.197 -24.503 961 HD12 LEU 115 2HD1 LEU 115 -2.846 -8.832 -25.802 962 HD13 LEU 115 3HD1 LEU 115 -2.935 -9.686 -24.262 963 HD21 LEU 115 3HD2 LEU 115 -3.662 -11.798 -25.532 964 HD22 LEU 115 1HD2 LEU 115 -3.532 -10.879 -27.031 965 HD23 LEU 115 2HD2 LEU 115 -5.041 -11.696 -26.627 966 H ALA 116 H ALA 116 -7.213 -11.881 -22.138 967 HA ALA 116 HA ALA 116 -7.637 -9.830 -20.274 968 HB1 ALA 116 3HB ALA 116 -8.677 -12.653 -20.138 969 HB2 ALA 116 1HB ALA 116 -9.388 -11.354 -21.092 970 HB3 ALA 116 2HB ALA 116 -9.357 -11.239 -19.332 971 H LYS 117 H LYS 117 -6.288 -13.111 -19.750 972 HA LYS 117 HA LYS 117 -5.788 -12.803 -16.994 973 HB2 LYS 117 2HB LYS 117 -4.368 -14.549 -19.021 974 HB3 LYS 117 3HB LYS 117 -4.177 -14.691 -17.279 975 HG2 LYS 117 2HG LYS 117 -6.753 -15.089 -18.803 976 HG3 LYS 117 3HG LYS 117 -5.716 -16.371 -18.178 977 HD2 LYS 117 2HD LYS 117 -7.111 -14.276 -16.497 978 HD3 LYS 117 3HD LYS 117 -7.666 -15.935 -16.722 979 HE2 LYS 117 2HE LYS 117 -5.063 -15.080 -15.445 980 HE3 LYS 117 3HE LYS 117 -6.484 -15.692 -14.600 981 HZ1 LYS 117 3HZ LYS 117 -6.216 -17.796 -15.766 982 HZ2 LYS 117 1HZ LYS 117 -4.827 -17.412 -14.883 983 HZ3 LYS 117 2HZ LYS 117 -4.846 -17.210 -16.562 984 H ALA 118 H ALA 118 -3.689 -12.164 -19.799 985 HA ALA 118 HA ALA 118 -1.369 -11.468 -18.364 986 HB1 ALA 118 3HB ALA 118 -0.614 -10.421 -20.445 987 HB2 ALA 118 1HB ALA 118 -2.250 -10.531 -21.096 988 HB3 ALA 118 2HB ALA 118 -1.339 -12.001 -20.746 989 H ALA 119 H ALA 119 -4.021 -9.447 -19.591 990 HA ALA 119 HA ALA 119 -2.805 -7.000 -18.653 991 HB1 ALA 119 3HB ALA 119 -4.804 -5.904 -19.531 992 HB2 ALA 119 1HB ALA 119 -5.564 -7.475 -19.787 993 HB3 ALA 119 2HB ALA 119 -4.129 -7.030 -20.711 994 H GLU 120 H GLU 120 -5.884 -8.670 -17.812 995 HA GLU 120 HA GLU 120 -6.646 -6.800 -15.886 996 HB2 GLU 120 2HB GLU 120 -7.496 -9.667 -16.272 997 HB3 GLU 120 3HB GLU 120 -8.227 -8.610 -15.067 998 HG2 GLU 120 2HG GLU 120 -8.821 -7.028 -16.894 999 HG3 GLU 120 3HG GLU 120 -8.206 -8.202 -18.056 1000 H GLU 121 H GLU 121 -4.923 -9.914 -15.340 1001 HA GLU 121 HA GLU 121 -4.882 -9.764 -12.551 1002 HB2 GLU 121 2HB GLU 121 -2.885 -10.952 -14.475 1003 HB3 GLU 121 3HB GLU 121 -2.652 -11.027 -12.732 1004 HG2 GLU 121 2HG GLU 121 -4.943 -12.123 -12.620 1005 HG3 GLU 121 3HG GLU 121 -4.841 -12.284 -14.374 1006 H GLU 122 H GLU 122 -2.538 -8.382 -14.864 1007 HA GLU 122 HA GLU 122 -0.880 -7.083 -13.002 1008 HB2 GLU 122 2HB GLU 122 -0.222 -7.311 -15.329 1009 HB3 GLU 122 3HB GLU 122 -1.585 -6.328 -15.847 1010 HG2 GLU 122 2HG GLU 122 0.453 -5.037 -15.940 1011 HG3 GLU 122 3HG GLU 122 -0.618 -4.385 -14.704 1012 H MET 123 H MET 123 -3.855 -5.996 -14.608 1013 HA MET 123 HA MET 123 -3.926 -3.358 -13.730 1014 HB2 MET 123 2HB MET 123 -6.215 -5.268 -14.222 1015 HB3 MET 123 3HB MET 123 -6.417 -3.539 -13.981 1016 HG2 MET 123 2HG MET 123 -5.124 -3.070 -15.972 1017 HG3 MET 123 3HG MET 123 -4.788 -4.786 -16.188 1018 HE1 MET 123 3HE MET 123 -8.187 -3.168 -15.044 1019 HE2 MET 123 1HE MET 123 -9.006 -2.954 -16.589 1020 HE3 MET 123 2HE MET 123 -7.567 -2.002 -16.212 1021 H LEU 124 H LEU 124 -5.101 -6.274 -12.048 1022 HA LEU 124 HA LEU 124 -5.972 -4.762 -9.756 1023 HG LEU 124 HG LEU 124 -8.168 -7.719 -9.769 1024 HB2 LEU 124 2HB LEU 124 -5.712 -7.713 -10.284 1025 HB3 LEU 124 3HB LEU 124 -6.131 -7.098 -8.696 1026 HD11 LEU 124 1HD1 LEU 124 -7.898 -4.717 -9.948 1027 HD12 LEU 124 2HD1 LEU 124 -8.255 -5.638 -8.488 1028 HD13 LEU 124 3HD1 LEU 124 -9.405 -5.627 -9.821 1029 HD21 LEU 124 3HD2 LEU 124 -7.314 -6.012 -12.107 1030 HD22 LEU 124 1HD2 LEU 124 -8.883 -6.802 -11.932 1031 HD23 LEU 124 2HD2 LEU 124 -7.418 -7.772 -12.077 1032 H TYR 125 H TYR 125 -3.014 -6.485 -10.630 1033 HA TYR 125 HA TYR 125 -1.798 -6.548 -8.087 1034 HD1 TYR 125 HD2 TYR 125 -2.256 -8.442 -8.569 1035 HD2 TYR 125 HD1 TYR 125 0.703 -8.298 -11.628 1036 HE1 TYR 125 HE2 TYR 125 -2.562 -10.846 -8.971 1037 HE2 TYR 125 HE1 TYR 125 0.406 -10.700 -12.036 1038 HH TYR 125 HH TYR 125 -2.175 -12.424 -11.064 1039 HB2 TYR 125 2HB TYR 125 -0.491 -6.234 -10.804 1040 HB3 TYR 125 3HB TYR 125 0.378 -6.578 -9.315 1041 H LYS 126 H LYS 126 -1.356 -4.136 -10.690 1042 HA LYS 126 HA LYS 126 0.094 -2.263 -9.175 1043 HB2 LYS 126 2HB LYS 126 -0.433 -0.664 -10.923 1044 HB3 LYS 126 3HB LYS 126 -0.098 -2.227 -11.654 1045 HG2 LYS 126 2HG LYS 126 -2.490 -2.637 -11.908 1046 HG3 LYS 126 3HG LYS 126 -2.840 -1.081 -11.155 1047 HD2 LYS 126 2HD LYS 126 -1.593 0.030 -13.004 1048 HD3 LYS 126 3HD LYS 126 -1.406 -1.548 -13.773 1049 HE2 LYS 126 2HE LYS 126 -3.282 -0.315 -14.739 1050 HE3 LYS 126 3HE LYS 126 -3.834 -1.776 -13.924 1051 HZ1 LYS 126 3HZ LYS 126 -5.230 0.176 -13.462 1052 HZ2 LYS 126 1HZ LYS 126 -3.916 0.943 -12.728 1053 HZ3 LYS 126 2HZ LYS 126 -4.554 -0.470 -12.056 1054 H ASP 127 H ASP 127 -3.373 -2.768 -9.547 1055 HA ASP 127 HA ASP 127 -4.277 -0.355 -8.435 1056 HB2 ASP 127 2HB ASP 127 -5.674 -1.938 -9.753 1057 HB3 ASP 127 3HB ASP 127 -5.672 -3.048 -8.384 1058 H MET 128 H MET 128 -3.876 -3.555 -6.875 1059 HA MET 128 HA MET 128 -4.630 -2.763 -4.292 1060 HB2 MET 128 2HB MET 128 -2.700 -4.938 -5.135 1061 HB3 MET 128 3HB MET 128 -3.360 -4.762 -3.513 1062 HG2 MET 128 2HG MET 128 -5.622 -5.076 -4.417 1063 HG3 MET 128 3HG MET 128 -4.935 -5.302 -6.023 1064 HE1 MET 128 3HE MET 128 -2.275 -6.979 -5.309 1065 HE2 MET 128 1HE MET 128 -3.340 -7.346 -6.668 1066 HE3 MET 128 2HE MET 128 -2.881 -8.619 -5.538 1067 H GLN 129 H GLN 129 -1.433 -2.759 -5.837 1068 HA GLN 129 HA GLN 129 0.046 -2.002 -3.550 1069 HB2 GLN 129 2HB GLN 129 0.979 -2.995 -5.669 1070 HB3 GLN 129 3HB GLN 129 0.749 -1.435 -6.444 1071 HG2 GLN 129 2HG GLN 129 2.426 -1.743 -3.967 1072 HG3 GLN 129 3HG GLN 129 3.083 -2.020 -5.577 1073 HE21 GLN 129 1HE2 GLN 129 3.724 0.016 -3.555 1074 HE22 GLN 129 2HE2 GLN 129 3.539 1.529 -4.356 1075 H LYS 130 H LYS 130 -1.149 -0.013 -6.283 1076 HA LYS 130 HA LYS 130 -0.248 2.453 -5.216 1077 HB2 LYS 130 2HB LYS 130 -0.716 2.186 -7.598 1078 HB3 LYS 130 3HB LYS 130 -2.418 1.907 -7.254 1079 HG2 LYS 130 2HG LYS 130 -2.595 4.193 -6.352 1080 HG3 LYS 130 3HG LYS 130 -0.899 4.466 -6.750 1081 HD2 LYS 130 2HD LYS 130 -3.103 3.831 -8.722 1082 HD3 LYS 130 3HD LYS 130 -2.387 5.421 -8.448 1083 HE2 LYS 130 2HE LYS 130 -0.189 4.508 -9.150 1084 HE3 LYS 130 3HE LYS 130 -0.972 2.967 -9.506 1085 HZ1 LYS 130 3HZ LYS 130 -1.552 5.568 -10.819 1086 HZ2 LYS 130 1HZ LYS 130 -2.372 4.122 -11.130 1087 HZ3 LYS 130 2HZ LYS 130 -0.731 4.258 -11.508 1088 H ASP 131 H ASP 131 -3.492 0.962 -5.237 1089 HA ASP 131 HA ASP 131 -4.889 3.009 -3.968 1090 HB2 ASP 131 2HB ASP 131 -5.733 0.807 -5.062 1091 HB3 ASP 131 3HB ASP 131 -5.497 0.096 -3.471 1092 H ALA 132 H ALA 132 -3.047 0.317 -2.566 1093 HA ALA 132 HA ALA 132 -3.633 0.758 0.141 1094 HB1 ALA 132 3HB ALA 132 -2.529 -1.265 -0.700 1095 HB2 ALA 132 1HB ALA 132 -1.628 -0.535 0.629 1096 HB3 ALA 132 2HB ALA 132 -1.073 -0.329 -1.032 1097 H VAL 133 H VAL 133 -0.807 1.949 -1.736 1098 HA VAL 133 HA VAL 133 0.280 3.428 0.421 1099 HB VAL 133 HB VAL 133 1.603 2.707 -1.558 1100 HG11 VAL 133 1HG1 VAL 133 1.588 4.036 -3.603 1101 HG12 VAL 133 2HG1 VAL 133 0.250 5.004 -2.980 1102 HG13 VAL 133 3HG1 VAL 133 0.015 3.292 -3.324 1103 HG21 VAL 133 3HG2 VAL 133 3.012 4.713 -1.665 1104 HG22 VAL 133 1HG2 VAL 133 2.476 4.382 -0.016 1105 HG23 VAL 133 2HG2 VAL 133 1.708 5.665 -0.952 1106 H GLN 134 H GLN 134 -2.002 4.328 -2.129 1107 HA GLN 134 HA GLN 134 -2.138 7.095 -1.568 1108 HB2 GLN 134 2HB GLN 134 -4.229 5.216 -2.700 1109 HB3 GLN 134 3HB GLN 134 -4.410 6.965 -2.644 1110 HG2 GLN 134 2HG GLN 134 -2.230 5.491 -4.122 1111 HG3 GLN 134 3HG GLN 134 -3.698 6.141 -4.849 1112 HE21 GLN 134 1HE2 GLN 134 -3.696 8.558 -3.237 1113 HE22 GLN 134 2HE2 GLN 134 -2.427 9.550 -3.854 1114 H GLN 135 H GLN 135 -3.753 4.301 -0.117 1115 HA GLN 135 HA GLN 135 -5.435 5.814 1.623 1116 HB2 GLN 135 2HB GLN 135 -4.463 2.956 1.753 1117 HB3 GLN 135 3HB GLN 135 -5.618 3.643 2.891 1118 HG2 GLN 135 2HG GLN 135 -7.203 4.038 1.108 1119 HG3 GLN 135 3HG GLN 135 -6.038 3.479 -0.093 1120 HE21 GLN 135 1HE2 GLN 135 -5.617 1.286 -0.262 1121 HE22 GLN 135 2HE2 GLN 135 -6.622 0.096 0.470 1122 H ILE 136 H ILE 136 -2.176 4.400 1.994 1123 HA ILE 136 HA ILE 136 -1.715 4.993 4.682 1124 HB ILE 136 HB ILE 136 0.298 5.191 2.417 1125 HG12 ILE 136 2HG1 ILE 136 -0.371 2.873 4.265 1126 HG13 ILE 136 3HG1 ILE 136 -0.761 2.968 2.551 1127 HG21 ILE 136 1HG2 ILE 136 1.996 4.835 4.170 1128 HG22 ILE 136 2HG2 ILE 136 0.734 4.920 5.398 1129 HG23 ILE 136 3HG2 ILE 136 1.099 6.335 4.409 1130 HD11 ILE 136 3HD1 ILE 136 1.169 1.550 2.938 1131 HD12 ILE 136 1HD1 ILE 136 2.011 2.886 3.723 1132 HD13 ILE 136 2HD1 ILE 136 1.619 2.980 2.007 1133 H LEU 137 H LEU 137 -1.125 7.066 1.836 1134 HA LEU 137 HA LEU 137 -0.350 9.406 3.140 1135 HG LEU 137 HG LEU 137 -2.071 11.428 1.464 1136 HB2 LEU 137 2HB LEU 137 -0.231 9.144 0.715 1137 HB3 LEU 137 3HB LEU 137 -1.981 9.080 0.613 1138 HD11 LEU 137 1HD1 LEU 137 0.051 11.495 2.641 1139 HD12 LEU 137 2HD1 LEU 137 -0.018 12.770 1.427 1140 HD13 LEU 137 3HD1 LEU 137 0.926 11.312 1.120 1141 HD21 LEU 137 3HD2 LEU 137 -2.214 10.949 -0.930 1142 HD22 LEU 137 1HD2 LEU 137 -0.455 11.033 -1.059 1143 HD23 LEU 137 2HD2 LEU 137 -1.379 12.473 -0.630 1144 H ARG 138 H ARG 138 -3.600 8.206 2.377 1145 HA ARG 138 HA ARG 138 -5.064 10.418 3.337 1146 HE ARG 138 HE ARG 138 -7.417 11.557 4.428 1147 HB2 ARG 138 2HB ARG 138 -5.944 8.610 1.856 1148 HB3 ARG 138 3HB ARG 138 -5.934 7.518 3.232 1149 HG2 ARG 138 2HG ARG 138 -8.164 8.285 2.898 1150 HG3 ARG 138 3HG ARG 138 -7.553 9.035 4.371 1151 HD2 ARG 138 2HD ARG 138 -7.463 10.433 1.697 1152 HD3 ARG 138 3HD ARG 138 -8.873 10.514 2.749 1153 HH11 ARG 138 1HH1 ARG 138 -6.342 11.565 1.152 1154 HH12 ARG 138 2HH1 ARG 138 -5.325 12.948 1.368 1155 HH21 ARG 138 1HH2 ARG 138 -6.109 13.325 4.693 1156 HH22 ARG 138 2HH2 ARG 138 -5.182 13.920 3.368 1157 H GLN 139 H GLN 139 -3.760 7.588 4.956 1158 HA GLN 139 HA GLN 139 -5.041 7.996 7.471 1159 HB2 GLN 139 2HB GLN 139 -2.518 6.502 6.729 1160 HB3 GLN 139 3HB GLN 139 -3.252 6.460 8.324 1161 HG2 GLN 139 2HG GLN 139 -5.240 5.407 7.417 1162 HG3 GLN 139 3HG GLN 139 -4.582 5.523 5.785 1163 HE21 GLN 139 1HE2 GLN 139 -5.367 3.157 7.371 1164 HE22 GLN 139 2HE2 GLN 139 -3.963 2.154 7.434 1165 H VAL 140 H VAL 140 -1.683 8.603 6.409 1166 HA VAL 140 HA VAL 140 -0.765 9.722 8.798 1167 HB VAL 140 HB VAL 140 0.275 10.229 5.999 1168 HG11 VAL 140 1HG1 VAL 140 1.137 11.893 7.548 1169 HG12 VAL 140 2HG1 VAL 140 2.413 10.758 7.114 1170 HG13 VAL 140 3HG1 VAL 140 1.614 10.630 8.682 1171 HG21 VAL 140 3HG2 VAL 140 1.873 8.428 6.486 1172 HG22 VAL 140 1HG2 VAL 140 0.209 7.847 6.565 1173 HG23 VAL 140 2HG2 VAL 140 1.103 8.164 8.051 1174 H SER 141 H SER 141 -1.536 11.553 5.796 1175 HA SER 141 HA SER 141 -1.130 14.094 6.911 1176 HG SER 141 HG SER 141 -2.933 12.415 4.054 1177 HB2 SER 141 2HB SER 141 -2.323 14.989 4.968 1178 HB3 SER 141 3HB SER 141 -1.248 13.684 4.473 1179 H ALA 142 H ALA 142 -4.102 12.166 6.681 1180 HA ALA 142 HA ALA 142 -5.643 14.301 7.949 1181 HB1 ALA 142 3HB ALA 142 -6.585 13.165 6.000 1182 HB2 ALA 142 1HB ALA 142 -7.599 12.961 7.429 1183 HB3 ALA 142 2HB ALA 142 -6.567 11.638 6.882 1184 H PHE 143 H PHE 143 -3.633 12.159 9.260 1185 HA PHE 143 HA PHE 143 -5.116 10.678 11.113 1186 HD1 PHE 143 HD1 PHE 143 -3.034 11.632 14.158 1187 HD2 PHE 143 HD2 PHE 143 -2.984 8.326 11.471 1188 HE1 PHE 143 HE1 PHE 143 -3.042 10.081 16.065 1189 HE2 PHE 143 HE2 PHE 143 -2.998 6.773 13.375 1190 HZ PHE 143 HZ PHE 143 -3.025 7.648 15.677 1191 HB2 PHE 143 2HB PHE 143 -2.602 10.519 10.650 1192 HB3 PHE 143 3HB PHE 143 -2.412 11.886 11.742 1193 H THR 144 H THR 144 -4.124 14.045 11.176 1194 HA THR 144 HA THR 144 -4.790 14.697 13.828 1195 HB THR 144 HB THR 144 -3.581 16.279 12.447 1196 HG1 THR 144 HG1 THR 144 -5.914 17.759 12.786 1197 HG21 THR 144 3HG2 THR 144 -6.122 16.533 10.826 1198 HG22 THR 144 1HG2 THR 144 -4.605 15.814 10.279 1199 HG23 THR 144 2HG2 THR 144 -4.684 17.537 10.642 1200 H SER 145 H SER 145 -6.814 14.076 11.078 1201 HA SER 145 HA SER 145 -9.225 15.050 12.427 1202 HG SER 145 HG SER 145 -10.935 14.213 9.298 1203 HB2 SER 145 2HB SER 145 -9.145 15.561 10.080 1204 HB3 SER 145 3HB SER 145 -8.764 13.888 9.669 1205 H ALA 146 H ALA 146 -8.058 12.006 10.958 1206 HA ALA 146 HA ALA 146 -8.504 9.816 11.357 1207 HB1 ALA 146 3HB ALA 146 -9.471 10.772 14.054 1208 HB2 ALA 146 1HB ALA 146 -7.806 10.360 13.647 1209 HB3 ALA 146 2HB ALA 146 -9.054 9.112 13.623 1210 H GLY 147 H GLY 147 -10.700 11.839 10.487 1211 HA2 GLY 147 2HA GLY 147 -12.699 11.143 9.385 1212 HA3 GLY 147 3HA GLY 147 -12.887 9.866 10.574 1213 H LEU 148 H LEU 148 -12.100 12.464 12.391 1214 HA LEU 148 HA LEU 148 -14.700 12.783 13.435 1215 HG LEU 148 HG LEU 148 -12.360 13.527 16.191 1216 HB2 LEU 148 2HB LEU 148 -12.095 14.190 13.862 1217 HB3 LEU 148 3HB LEU 148 -13.555 14.882 14.540 1218 HD11 LEU 148 1HD1 LEU 148 -14.972 12.281 15.332 1219 HD12 LEU 148 2HD1 LEU 148 -14.781 13.693 16.374 1220 HD13 LEU 148 3HD1 LEU 148 -14.220 12.111 16.918 1221 HD21 LEU 148 3HD2 LEU 148 -12.840 11.209 14.313 1222 HD22 LEU 148 1HD2 LEU 148 -12.197 11.093 15.953 1223 HD23 LEU 148 2HD2 LEU 148 -11.279 11.932 14.703 1224 H GLU 149 H GLU 149 -13.317 14.218 10.675 1225 HA GLU 149 HA GLU 149 -14.770 16.614 10.485 1226 HB2 GLU 149 2HB GLU 149 -13.896 14.680 8.326 1227 HB3 GLU 149 3HB GLU 149 -14.580 16.265 7.993 1228 HG2 GLU 149 2HG GLU 149 -12.725 17.337 9.138 1229 HG3 GLU 149 3HG GLU 149 -12.054 15.765 9.563 1230 H HIS 150 H HIS 150 -15.766 13.286 10.070 1231 HA HIS 150 HA HIS 150 -18.558 14.173 10.086 1232 HD1 HIS 150 HD1 HIS 150 -20.351 14.551 7.715 1233 HD2 HIS 150 HD2 HIS 150 -16.435 14.192 6.370 1234 HE1 HIS 150 HE1 HIS 150 -20.098 16.281 5.915 1235 HE2 HIS 150 HE2 HIS 150 -17.765 15.969 5.040 1236 HB2 HIS 150 2HB HIS 150 -17.407 12.230 8.068 1237 HB3 HIS 150 3HB HIS 150 -19.128 12.328 8.428 1238 H HIS 151 H HIS 151 -18.511 13.530 12.291 1239 HA HIS 151 HA HIS 151 -18.190 10.650 12.835 1240 HD1 HIS 151 HD1 HIS 151 -18.940 12.088 17.051 1241 HD2 HIS 151 HD2 HIS 151 -16.802 9.329 14.793 1242 HE1 HIS 151 HE1 HIS 151 -18.571 10.122 18.564 1243 HE2 HIS 151 HE2 HIS 151 -17.143 8.536 17.231 1244 HB2 HIS 151 2HB HIS 151 -16.922 12.347 14.197 1245 HB3 HIS 151 3HB HIS 151 -18.462 12.946 14.797 1246 H HIS 152 H HIS 152 -19.829 9.844 14.608 1247 HA HIS 152 HA HIS 152 -21.946 9.394 15.300 1248 HD1 HIS 152 HD1 HIS 152 -25.094 12.660 14.240 1249 HD2 HIS 152 HD2 HIS 152 -24.111 9.518 16.776 1250 HE1 HIS 152 HE1 HIS 152 -27.257 11.929 15.273 1251 HE2 HIS 152 HE2 HIS 152 -26.663 9.931 16.674 1252 HB2 HIS 152 2HB HIS 152 -22.153 11.824 15.750 1253 HB3 HIS 152 3HB HIS 152 -22.686 12.082 14.095 1254 H HIS 153 H HIS 153 -20.879 8.692 12.617 1255 HA HIS 153 HA HIS 153 -23.360 8.503 11.051 1256 HD1 HIS 153 HD1 HIS 153 -19.060 9.591 10.557 1257 HD2 HIS 153 HD2 HIS 153 -20.090 5.637 9.819 1258 HE1 HIS 153 HE1 HIS 153 -16.912 8.313 10.655 1259 HE2 HIS 153 HE2 HIS 153 -17.583 5.907 10.404 1260 HB2 HIS 153 2HB HIS 153 -21.932 7.789 9.167 1261 HB3 HIS 153 3HB HIS 153 -21.448 9.351 9.808 1262 H HIS 154 H HIS 154 -24.569 6.746 11.328 1263 HA HIS 154 HA HIS 154 -23.653 4.333 12.501 1264 HD1 HIS 154 HD1 HIS 154 -27.101 6.900 11.765 1265 HD2 HIS 154 HD2 HIS 154 -26.530 3.869 8.976 1266 HE1 HIS 154 HE1 HIS 154 -28.409 7.591 9.736 1267 HE2 HIS 154 HE2 HIS 154 -28.168 5.677 8.127 1268 HB2 HIS 154 2HB HIS 154 -25.893 3.423 11.758 1269 HB3 HIS 154 3HB HIS 154 -25.964 4.875 12.747 1270 H HIS 155 H HIS 155 -22.504 2.747 11.624 1271 HA HIS 155 HA HIS 155 -22.696 2.256 8.713 1272 HD1 HIS 155 HD1 HIS 155 -20.457 2.849 6.702 1273 HD2 HIS 155 HD2 HIS 155 -19.090 -0.146 9.241 1274 HE1 HIS 155 HE1 HIS 155 -19.207 1.239 5.236 1275 HE2 HIS 155 HE2 HIS 155 -18.478 -0.614 6.771 1276 HB2 HIS 155 2HB HIS 155 -20.591 3.439 9.237 1277 HB3 HIS 155 3HB HIS 155 -20.160 2.175 10.383 Start of MODEL 19 1 HA MET 1 HA MET 1 -1.523 40.677 1.714 2 H1 MET 1 1H MET 1 -0.479 41.384 3.757 3 H2 MET 1 2H MET 1 0.090 39.819 4.049 4 H3 MET 1 3H MET 1 -1.572 40.125 4.063 5 HB2 MET 1 2HB MET 1 1.380 39.821 1.892 6 HB3 MET 1 3HB MET 1 0.521 40.205 0.407 7 HG2 MET 1 2HG MET 1 1.155 42.108 2.653 8 HG3 MET 1 3HG MET 1 1.917 42.055 1.065 9 HE1 MET 1 3HE MET 1 0.793 44.742 2.237 10 HE2 MET 1 1HE MET 1 -0.081 45.392 0.850 11 HE3 MET 1 2HE MET 1 1.484 44.608 0.619 12 H GLY 2 H GLY 2 -1.893 39.021 0.119 13 HA2 GLY 2 2HA GLY 2 -2.191 36.869 -0.675 14 HA3 GLY 2 3HA GLY 2 -1.093 36.298 0.572 15 H PHE 3 H PHE 3 -4.406 36.806 -0.325 16 HA PHE 3 HA PHE 3 -5.567 36.275 2.231 17 HD1 PHE 3 HD2 PHE 3 -5.620 38.384 -0.955 18 HD2 PHE 3 HD1 PHE 3 -8.376 37.774 2.237 19 HE1 PHE 3 HE2 PHE 3 -5.883 40.819 -0.717 20 HE2 PHE 3 HE1 PHE 3 -8.639 40.208 2.479 21 HZ PHE 3 HZ PHE 3 -7.392 41.731 1.002 22 HB2 PHE 3 2HB PHE 3 -6.726 36.182 -0.563 23 HB3 PHE 3 3HB PHE 3 -7.681 35.938 0.900 24 H LYS 4 H LYS 4 -7.084 34.361 2.560 25 HA LYS 4 HA LYS 4 -5.341 32.071 2.419 26 HB2 LYS 4 2HB LYS 4 -7.934 32.587 3.857 27 HB3 LYS 4 3HB LYS 4 -7.207 30.987 3.818 28 HG2 LYS 4 2HG LYS 4 -6.553 32.051 5.853 29 HG3 LYS 4 3HG LYS 4 -5.137 31.958 4.805 30 HD2 LYS 4 2HD LYS 4 -5.681 34.342 4.099 31 HD3 LYS 4 3HD LYS 4 -6.840 34.372 5.429 32 HE2 LYS 4 2HE LYS 4 -3.862 33.916 5.641 33 HE3 LYS 4 3HE LYS 4 -4.739 35.366 6.121 34 HZ1 LYS 4 3HZ LYS 4 -4.248 34.023 8.033 35 HZ2 LYS 4 1HZ LYS 4 -4.997 32.675 7.342 36 HZ3 LYS 4 2HZ LYS 4 -5.916 34.021 7.774 37 H LEU 5 H LEU 5 -5.395 31.624 0.182 38 HA LEU 5 HA LEU 5 -7.712 29.980 -0.615 39 HG LEU 5 HG LEU 5 -7.176 32.055 -3.685 40 HB2 LEU 5 2HB LEU 5 -5.390 31.039 -2.250 41 HB3 LEU 5 3HB LEU 5 -6.581 29.912 -2.866 42 HD11 LEU 5 1HD1 LEU 5 -8.968 31.448 -1.334 43 HD12 LEU 5 2HD1 LEU 5 -9.056 30.700 -2.929 44 HD13 LEU 5 3HD1 LEU 5 -9.391 32.422 -2.743 45 HD21 LEU 5 3HD2 LEU 5 -5.881 33.442 -2.169 46 HD22 LEU 5 1HD2 LEU 5 -6.996 33.079 -0.850 47 HD23 LEU 5 2HD2 LEU 5 -7.549 34.007 -2.243 48 H ARG 6 H ARG 6 -6.760 27.983 -2.056 49 HA ARG 6 HA ARG 6 -4.312 26.845 -1.159 50 HE ARG 6 HE ARG 6 -4.928 22.540 1.455 51 HB2 ARG 6 2HB ARG 6 -6.307 26.622 0.734 52 HB3 ARG 6 3HB ARG 6 -6.436 25.089 -0.116 53 HG2 ARG 6 2HG ARG 6 -3.982 24.760 0.275 54 HG3 ARG 6 3HG ARG 6 -4.012 26.205 1.290 55 HD2 ARG 6 2HD ARG 6 -4.230 24.366 2.763 56 HD3 ARG 6 3HD ARG 6 -5.843 25.067 2.627 57 HH11 ARG 6 1HH1 ARG 6 -7.521 24.691 2.187 58 HH12 ARG 6 2HH1 ARG 6 -8.730 23.551 1.712 59 HH21 ARG 6 1HH2 ARG 6 -6.474 21.108 0.857 60 HH22 ARG 6 2HH2 ARG 6 -8.148 21.546 0.973 61 H GLY 7 H GLY 7 -3.654 25.498 -2.727 62 HA2 GLY 7 2HA GLY 7 -5.721 24.152 -4.385 63 HA3 GLY 7 3HA GLY 7 -4.182 24.724 -5.008 64 H GLN 8 H GLN 8 -5.043 22.750 -2.150 65 HA GLN 8 HA GLN 8 -3.327 20.597 -3.217 66 HB2 GLN 8 2HB GLN 8 -3.366 21.560 -0.341 67 HB3 GLN 8 3HB GLN 8 -2.438 20.198 -0.954 68 HG2 GLN 8 2HG GLN 8 -1.177 21.739 -2.408 69 HG3 GLN 8 3HG GLN 8 -2.080 23.091 -1.731 70 HE21 GLN 8 1HE2 GLN 8 -2.057 21.936 0.979 71 HE22 GLN 8 2HE2 GLN 8 -0.450 22.162 1.561 72 H VAL 9 H VAL 9 -4.182 18.588 -3.116 73 HA VAL 9 HA VAL 9 -6.872 18.288 -2.067 74 HB VAL 9 HB VAL 9 -6.494 17.388 -4.261 75 HG11 VAL 9 1HG1 VAL 9 -4.925 15.645 -4.792 76 HG12 VAL 9 2HG1 VAL 9 -4.418 15.523 -3.109 77 HG13 VAL 9 3HG1 VAL 9 -4.053 16.979 -4.035 78 HG21 VAL 9 3HG2 VAL 9 -8.076 16.168 -2.851 79 HG22 VAL 9 1HG2 VAL 9 -6.775 15.123 -2.280 80 HG23 VAL 9 2HG2 VAL 9 -7.262 15.079 -3.975 81 H SER 10 H SER 10 -3.831 16.426 -1.665 82 HA SER 10 HA SER 10 -4.771 15.612 1.020 83 HG SER 10 HG SER 10 -1.946 14.449 -0.850 84 HB2 SER 10 2HB SER 10 -3.401 13.557 0.743 85 HB3 SER 10 3HB SER 10 -4.657 13.672 -0.487 86 H GLU 11 H GLU 11 -3.543 16.467 2.641 87 HA GLU 11 HA GLU 11 -0.764 17.207 2.095 88 HB2 GLU 11 2HB GLU 11 -1.149 19.546 2.746 89 HB3 GLU 11 3HB GLU 11 -2.061 19.112 1.305 90 HG2 GLU 11 2HG GLU 11 -4.004 18.649 2.961 91 HG3 GLU 11 3HG GLU 11 -3.058 19.623 4.085 92 H LEU 12 H LEU 12 0.270 18.237 4.010 93 HA LEU 12 HA LEU 12 -0.814 17.563 6.607 94 HG LEU 12 HG LEU 12 0.941 15.735 4.099 95 HB2 LEU 12 2HB LEU 12 1.511 16.316 7.014 96 HB3 LEU 12 3HB LEU 12 0.084 15.472 6.452 97 HD11 LEU 12 1HD1 LEU 12 3.285 16.258 3.759 98 HD12 LEU 12 2HD1 LEU 12 3.479 16.595 5.479 99 HD13 LEU 12 3HD1 LEU 12 2.444 17.625 4.490 100 HD21 LEU 12 3HD2 LEU 12 2.750 14.221 5.977 101 HD22 LEU 12 1HD2 LEU 12 2.533 13.914 4.256 102 HD23 LEU 12 2HD2 LEU 12 1.195 13.644 5.376 103 HA PRO 13 HA PRO 13 1.202 21.213 7.763 104 HB2 PRO 13 2HB PRO 13 1.935 20.804 10.354 105 HB3 PRO 13 3HB PRO 13 0.258 21.000 9.833 106 HG2 PRO 13 2HG PRO 13 1.776 18.477 10.411 107 HG3 PRO 13 3HG PRO 13 0.130 18.928 10.896 108 HD2 PRO 13 2HD PRO 13 0.604 17.288 8.805 109 HD3 PRO 13 3HD PRO 13 -0.761 18.426 8.818 110 H PHE 14 H PHE 14 3.230 18.433 7.690 111 HA PHE 14 HA PHE 14 5.617 20.079 8.237 112 HD1 PHE 14 HD2 PHE 14 4.976 15.888 7.147 113 HD2 PHE 14 HD1 PHE 14 4.259 17.721 10.924 114 HE1 PHE 14 HE2 PHE 14 3.316 14.150 7.677 115 HE2 PHE 14 HE1 PHE 14 2.600 15.986 11.455 116 HZ PHE 14 HZ PHE 14 2.127 14.198 9.830 117 HB2 PHE 14 2HB PHE 14 6.582 17.510 8.170 118 HB3 PHE 14 3HB PHE 14 6.121 18.387 9.620 119 H GLU 15 H GLU 15 7.245 20.319 6.784 120 HA GLU 15 HA GLU 15 6.590 19.591 4.019 121 HB2 GLU 15 2HB GLU 15 8.593 21.586 5.104 122 HB3 GLU 15 3HB GLU 15 8.285 21.293 3.396 123 HG2 GLU 15 2HG GLU 15 5.928 21.981 3.752 124 HG3 GLU 15 3HG GLU 15 6.339 22.384 5.418 125 H ARG 16 H ARG 16 8.803 18.644 6.475 126 HA ARG 16 HA ARG 16 10.146 16.948 4.486 127 HE ARG 16 HE ARG 16 12.201 20.946 8.398 128 HB2 ARG 16 2HB ARG 16 12.330 17.237 5.715 129 HB3 ARG 16 3HB ARG 16 11.794 18.618 4.776 130 HG2 ARG 16 2HG ARG 16 11.190 18.477 7.706 131 HG3 ARG 16 3HG ARG 16 12.790 18.970 7.150 132 HD2 ARG 16 2HD ARG 16 11.684 20.726 5.758 133 HD3 ARG 16 3HD ARG 16 10.145 20.278 6.498 134 HH11 ARG 16 1HH1 ARG 16 9.691 22.186 6.407 135 HH12 ARG 16 2HH1 ARG 16 9.469 23.598 7.371 136 HH21 ARG 16 1HH2 ARG 16 11.933 22.764 9.618 137 HH22 ARG 16 2HH2 ARG 16 10.736 23.931 9.171 138 H VAL 17 H VAL 17 10.074 14.875 5.009 139 HA VAL 17 HA VAL 17 9.928 14.087 7.845 140 HB VAL 17 HB VAL 17 8.189 12.420 7.339 141 HG11 VAL 17 1HG1 VAL 17 7.520 14.575 8.250 142 HG12 VAL 17 2HG1 VAL 17 6.293 13.959 7.142 143 HG13 VAL 17 3HG1 VAL 17 7.387 15.242 6.621 144 HG21 VAL 17 3HG2 VAL 17 8.608 12.083 4.963 145 HG22 VAL 17 1HG2 VAL 17 8.074 13.728 4.614 146 HG23 VAL 17 2HG2 VAL 17 6.924 12.537 5.228 147 H TYR 18 H TYR 18 10.487 11.874 8.266 148 HA TYR 18 HA TYR 18 12.310 10.726 6.251 149 HD1 TYR 18 HD1 TYR 18 14.875 9.837 6.662 150 HD2 TYR 18 HD2 TYR 18 12.642 8.334 9.967 151 HE1 TYR 18 HE1 TYR 18 16.235 7.788 6.648 152 HE2 TYR 18 HE2 TYR 18 13.998 6.285 9.956 153 HH TYR 18 HH TYR 18 16.889 5.998 8.221 154 HB2 TYR 18 2HB TYR 18 13.491 11.347 8.257 155 HB3 TYR 18 3HB TYR 18 12.297 10.551 9.274 156 H ILE 19 H ILE 19 11.727 8.839 5.330 157 HA ILE 19 HA ILE 19 9.674 7.187 6.654 158 HB ILE 19 HB ILE 19 9.057 7.880 4.398 159 HG12 ILE 19 2HG1 ILE 19 9.769 4.931 4.516 160 HG13 ILE 19 3HG1 ILE 19 8.316 5.663 5.190 161 HG21 ILE 19 1HG2 ILE 19 11.297 8.205 3.469 162 HG22 ILE 19 2HG2 ILE 19 10.320 7.172 2.426 163 HG23 ILE 19 3HG2 ILE 19 11.555 6.461 3.463 164 HD11 ILE 19 3HD1 ILE 19 7.822 4.573 3.097 165 HD12 ILE 19 1HD1 ILE 19 9.059 5.523 2.277 166 HD13 ILE 19 2HD1 ILE 19 7.622 6.316 2.927 167 H THR 20 H THR 20 10.154 5.185 7.384 168 HA THR 20 HA THR 20 12.852 4.129 6.792 169 HB THR 20 HB THR 20 12.832 4.824 9.080 170 HG1 THR 20 HG1 THR 20 13.803 2.764 8.626 171 HG21 THR 20 3HG2 THR 20 11.241 4.016 10.735 172 HG22 THR 20 1HG2 THR 20 10.375 3.111 9.491 173 HG23 THR 20 2HG2 THR 20 10.398 4.874 9.446 174 H ALA 21 H ALA 21 12.875 2.314 5.697 175 HA ALA 21 HA ALA 21 10.655 0.390 6.021 176 HB1 ALA 21 3HB ALA 21 11.010 -0.300 3.695 177 HB2 ALA 21 1HB ALA 21 12.268 0.926 3.519 178 HB3 ALA 21 2HB ALA 21 10.595 1.411 3.804 179 HA PRO 22 HA PRO 22 14.114 -1.796 7.976 180 HB2 PRO 22 2HB PRO 22 12.653 -4.142 8.353 181 HB3 PRO 22 3HB PRO 22 12.690 -2.770 9.467 182 HG2 PRO 22 2HG PRO 22 10.685 -3.418 7.323 183 HG3 PRO 22 3HG PRO 22 10.405 -2.855 8.987 184 HD2 PRO 22 2HD PRO 22 10.231 -1.144 6.968 185 HD3 PRO 22 3HD PRO 22 11.051 -0.652 8.466 186 H ALA 23 H ALA 23 12.202 -3.118 5.311 187 HA ALA 23 HA ALA 23 14.556 -4.695 4.453 188 HB1 ALA 23 3HB ALA 23 12.662 -6.102 5.178 189 HB2 ALA 23 1HB ALA 23 13.044 -6.319 3.468 190 HB3 ALA 23 2HB ALA 23 11.650 -5.350 3.946 191 H GLY 24 H GLY 24 13.596 -1.864 3.771 192 HA2 GLY 24 2HA GLY 24 13.321 -0.503 1.927 193 HA3 GLY 24 3HA GLY 24 14.369 -1.665 1.127 194 H LEU 25 H LEU 25 10.958 -1.511 2.195 195 HA LEU 25 HA LEU 25 10.176 -3.384 0.158 196 HG LEU 25 HG LEU 25 9.801 -4.385 2.488 197 HB2 LEU 25 2HB LEU 25 8.391 -1.783 1.999 198 HB3 LEU 25 3HB LEU 25 7.932 -3.187 1.058 199 HD11 LEU 25 1HD1 LEU 25 9.071 -2.029 4.216 200 HD12 LEU 25 2HD1 LEU 25 10.676 -2.476 3.638 201 HD13 LEU 25 3HD1 LEU 25 9.846 -3.499 4.809 202 HD21 LEU 25 3HD2 LEU 25 7.084 -3.679 3.598 203 HD22 LEU 25 1HD2 LEU 25 8.097 -5.025 4.129 204 HD23 LEU 25 2HD2 LEU 25 7.449 -5.002 2.489 205 H THR 26 H THR 26 8.913 -3.045 -1.645 206 HA THR 26 HA THR 26 9.253 -0.747 -3.161 207 HB THR 26 HB THR 26 7.534 -1.587 -4.671 208 HG1 THR 26 HG1 THR 26 5.882 -2.620 -3.860 209 HG21 THR 26 3HG2 THR 26 9.696 -2.742 -4.690 210 HG22 THR 26 1HG2 THR 26 8.380 -3.863 -5.045 211 HG23 THR 26 2HG2 THR 26 9.121 -3.852 -3.445 212 H ILE 27 H ILE 27 6.452 -1.673 -1.198 213 HA ILE 27 HA ILE 27 4.625 0.291 -1.650 214 HB ILE 27 HB ILE 27 4.283 -1.544 -0.057 215 HG12 ILE 27 2HG1 ILE 27 3.142 -0.227 1.783 216 HG13 ILE 27 3HG1 ILE 27 3.842 1.228 1.083 217 HG21 ILE 27 1HG2 ILE 27 6.441 -1.589 1.029 218 HG22 ILE 27 2HG2 ILE 27 5.176 -1.407 2.242 219 HG23 ILE 27 3HG2 ILE 27 6.145 -0.013 1.764 220 HD11 ILE 27 3HD1 ILE 27 1.558 0.959 0.368 221 HD12 ILE 27 1HD1 ILE 27 1.913 -0.652 -0.260 222 HD13 ILE 27 2HD1 ILE 27 2.643 0.769 -1.010 223 H GLY 28 H GLY 28 7.621 0.635 0.191 224 HA2 GLY 28 2HA GLY 28 7.066 3.218 1.266 225 HA3 GLY 28 3HA GLY 28 8.640 2.446 1.173 226 H SER 29 H SER 29 8.961 2.156 -1.572 227 HA SER 29 HA SER 29 9.938 4.682 -2.313 228 HG SER 29 HG SER 29 11.196 4.439 -4.497 229 HB2 SER 29 2HB SER 29 10.811 2.589 -3.282 230 HB3 SER 29 3HB SER 29 9.293 2.353 -4.147 231 H ASP 30 H ASP 30 6.997 2.982 -3.412 232 HA ASP 30 HA ASP 30 6.041 5.023 -5.093 233 HB2 ASP 30 2HB ASP 30 4.519 2.934 -3.516 234 HB3 ASP 30 3HB ASP 30 3.799 3.961 -4.755 235 H LEU 31 H LEU 31 5.591 4.489 -1.605 236 HA LEU 31 HA LEU 31 3.769 6.579 -1.137 237 HG LEU 31 HG LEU 31 4.941 7.582 1.609 238 HB2 LEU 31 2HB LEU 31 4.284 4.834 0.511 239 HB3 LEU 31 3HB LEU 31 5.903 5.484 0.704 240 HD11 LEU 31 1HD1 LEU 31 2.567 7.655 2.234 241 HD12 LEU 31 2HD1 LEU 31 2.307 6.121 1.402 242 HD13 LEU 31 3HD1 LEU 31 2.789 7.551 0.488 243 HD21 LEU 31 3HD2 LEU 31 4.028 5.086 3.052 244 HD22 LEU 31 1HD2 LEU 31 4.250 6.681 3.773 245 HD23 LEU 31 2HD2 LEU 31 5.638 5.800 3.140 246 H GLU 32 H GLU 32 7.332 6.579 -0.981 247 HA GLU 32 HA GLU 32 7.859 9.199 -0.310 248 HB2 GLU 32 2HB GLU 32 9.290 7.472 -2.347 249 HB3 GLU 32 3HB GLU 32 9.938 8.965 -1.685 250 HG2 GLU 32 2HG GLU 32 10.073 8.012 0.513 251 HG3 GLU 32 3HG GLU 32 9.223 6.559 -0.014 252 H ARG 33 H ARG 33 7.150 7.907 -3.528 253 HA ARG 33 HA ARG 33 7.435 10.372 -4.928 254 HE ARG 33 HE ARG 33 8.823 5.014 -6.460 255 HB2 ARG 33 2HB ARG 33 5.857 7.938 -5.798 256 HB3 ARG 33 3HB ARG 33 6.559 9.177 -6.834 257 HG2 ARG 33 2HG ARG 33 8.797 8.467 -6.222 258 HG3 ARG 33 3HG ARG 33 8.136 7.283 -5.094 259 HD2 ARG 33 2HD ARG 33 6.952 6.259 -7.103 260 HD3 ARG 33 3HD ARG 33 7.985 7.280 -8.105 261 HH11 ARG 33 1HH1 ARG 33 9.711 7.577 -8.593 262 HH12 ARG 33 2HH1 ARG 33 11.266 6.898 -8.923 263 HH21 ARG 33 1HH2 ARG 33 10.824 4.170 -6.881 264 HH22 ARG 33 2HH2 ARG 33 11.888 5.003 -7.962 265 H VAL 34 H VAL 34 4.565 8.561 -3.803 266 HA VAL 34 HA VAL 34 2.605 10.318 -4.762 267 HB VAL 34 HB VAL 34 2.543 8.485 -2.352 268 HG11 VAL 34 1HG1 VAL 34 0.080 8.702 -2.445 269 HG12 VAL 34 2HG1 VAL 34 0.253 9.966 -3.664 270 HG13 VAL 34 3HG1 VAL 34 0.870 10.227 -2.033 271 HG21 VAL 34 3HG2 VAL 34 2.839 7.361 -4.509 272 HG22 VAL 34 1HG2 VAL 34 1.414 8.183 -5.143 273 HG23 VAL 34 2HG2 VAL 34 1.249 7.015 -3.831 274 H ILE 35 H ILE 35 4.329 10.332 -1.644 275 HA ILE 35 HA ILE 35 2.984 12.487 -0.460 276 HB ILE 35 HB ILE 35 5.851 11.575 -0.123 277 HG12 ILE 35 2HG1 ILE 35 3.378 11.160 1.588 278 HG13 ILE 35 3HG1 ILE 35 4.125 9.947 0.553 279 HG21 ILE 35 1HG2 ILE 35 4.304 13.560 1.555 280 HG22 ILE 35 2HG2 ILE 35 5.696 13.919 0.534 281 HG23 ILE 35 3HG2 ILE 35 5.890 12.894 1.955 282 HD11 ILE 35 3HD1 ILE 35 6.138 10.007 1.931 283 HD12 ILE 35 1HD1 ILE 35 4.709 9.606 2.882 284 HD13 ILE 35 2HD1 ILE 35 5.394 11.228 2.965 285 H SER 36 H SER 36 6.021 12.532 -2.346 286 HA SER 36 HA SER 36 6.414 15.321 -2.287 287 HG SER 36 HG SER 36 7.764 15.268 -5.244 288 HB2 SER 36 2HB SER 36 8.195 13.753 -2.907 289 HB3 SER 36 3HB SER 36 7.323 13.321 -4.376 290 H THR 37 H THR 37 4.577 13.312 -4.535 291 HA THR 37 HA THR 37 4.124 15.509 -6.381 292 HB THR 37 HB THR 37 2.790 13.876 -7.683 293 HG1 THR 37 HG1 THR 37 3.614 11.756 -6.070 294 HG21 THR 37 3HG2 THR 37 5.223 14.030 -8.043 295 HG22 THR 37 1HG2 THR 37 4.636 12.385 -8.292 296 HG23 THR 37 2HG2 THR 37 5.481 12.804 -6.801 297 H HIS 38 H HIS 38 2.403 14.080 -3.702 298 HA HIS 38 HA HIS 38 -0.107 15.386 -4.515 299 HD1 HIS 38 HD1 HIS 38 -2.677 12.528 -3.304 300 HD2 HIS 38 HD2 HIS 38 0.851 12.399 -5.499 301 HE1 HIS 38 HE1 HIS 38 -3.100 10.891 -5.163 302 HE2 HIS 38 HE2 HIS 38 -0.992 10.895 -6.531 303 HB2 HIS 38 2HB HIS 38 0.516 13.296 -2.435 304 HB3 HIS 38 3HB HIS 38 -1.021 14.149 -2.451 305 H THR 39 H THR 39 2.033 15.224 -1.666 306 HA THR 39 HA THR 39 0.535 17.402 -0.394 307 HB THR 39 HB THR 39 1.563 16.836 1.649 308 HG1 THR 39 HG1 THR 39 3.486 15.371 0.128 309 HG21 THR 39 3HG2 THR 39 -0.035 15.128 0.933 310 HG22 THR 39 1HG2 THR 39 1.268 14.410 1.880 311 HG23 THR 39 2HG2 THR 39 1.259 14.243 0.124 312 H ARG 40 H ARG 40 2.377 18.594 1.184 313 HA ARG 40 HA ARG 40 4.132 19.999 -0.711 314 HE ARG 40 HE ARG 40 2.462 22.901 -0.803 315 HB2 ARG 40 2HB ARG 40 2.423 21.296 0.590 316 HB3 ARG 40 3HB ARG 40 3.254 20.838 2.068 317 HG2 ARG 40 2HG ARG 40 3.826 23.105 1.373 318 HG3 ARG 40 3HG ARG 40 5.240 22.050 1.355 319 HD2 ARG 40 2HD ARG 40 5.155 23.516 -0.613 320 HD3 ARG 40 3HD ARG 40 5.067 21.813 -1.056 321 HH11 ARG 40 1HH1 ARG 40 5.183 22.794 -2.902 322 HH12 ARG 40 2HH1 ARG 40 4.261 23.210 -4.302 323 HH21 ARG 40 1HH2 ARG 40 1.278 23.402 -2.611 324 HH22 ARG 40 2HH2 ARG 40 2.073 23.565 -4.139 325 H ALA 41 H ALA 41 4.453 17.411 1.109 326 HA ALA 41 HA ALA 41 6.782 18.155 2.689 327 HB1 ALA 41 3HB ALA 41 5.390 15.492 2.410 328 HB2 ALA 41 1HB ALA 41 5.129 16.681 3.685 329 HB3 ALA 41 2HB ALA 41 6.686 15.866 3.549 330 H LYS 42 H LYS 42 8.700 16.747 2.667 331 HA LYS 42 HA LYS 42 9.349 15.474 0.116 332 HB2 LYS 42 2HB LYS 42 10.101 17.770 -0.150 333 HB3 LYS 42 3HB LYS 42 10.945 17.716 1.387 334 HG2 LYS 42 2HG LYS 42 11.745 15.747 -0.699 335 HG3 LYS 42 3HG LYS 42 12.191 17.434 -0.944 336 HD2 LYS 42 2HD LYS 42 12.894 15.720 1.449 337 HD3 LYS 42 3HD LYS 42 13.995 16.240 0.171 338 HE2 LYS 42 2HE LYS 42 12.575 18.020 2.161 339 HE3 LYS 42 3HE LYS 42 14.293 17.630 2.141 340 HZ1 LYS 42 3HZ LYS 42 12.845 19.121 0.014 341 HZ2 LYS 42 1HZ LYS 42 14.501 18.769 0.026 342 HZ3 LYS 42 2HZ LYS 42 13.849 19.807 1.188 343 H VAL 43 H VAL 43 10.837 13.798 0.295 344 HA VAL 43 HA VAL 43 11.030 12.684 2.967 345 HB VAL 43 HB VAL 43 11.833 11.517 0.293 346 HG11 VAL 43 1HG1 VAL 43 11.882 9.358 1.451 347 HG12 VAL 43 2HG1 VAL 43 11.549 10.167 2.982 348 HG13 VAL 43 3HG1 VAL 43 13.064 10.475 2.133 349 HG21 VAL 43 3HG2 VAL 43 9.753 10.234 0.457 350 HG22 VAL 43 1HG2 VAL 43 9.430 11.968 0.463 351 HG23 VAL 43 2HG2 VAL 43 9.359 11.052 1.969 352 H VAL 44 H VAL 44 12.728 13.120 4.248 353 HA VAL 44 HA VAL 44 15.368 13.662 3.105 354 HB VAL 44 HB VAL 44 16.069 14.191 5.407 355 HG11 VAL 44 1HG1 VAL 44 14.702 16.206 5.711 356 HG12 VAL 44 2HG1 VAL 44 13.499 15.562 4.593 357 HG13 VAL 44 3HG1 VAL 44 15.118 15.960 4.014 358 HG21 VAL 44 3HG2 VAL 44 13.219 13.495 6.150 359 HG22 VAL 44 1HG2 VAL 44 14.387 14.274 7.218 360 HG23 VAL 44 2HG2 VAL 44 14.675 12.632 6.647 361 H ASN 45 H ASN 45 17.281 12.506 3.833 362 HA ASN 45 HA ASN 45 16.718 9.646 4.128 363 HB2 ASN 45 2HB ASN 45 18.167 10.527 2.267 364 HB3 ASN 45 3HB ASN 45 19.356 10.989 3.478 365 HD21 ASN 45 1HD2 ASN 45 20.891 9.611 2.542 366 HD22 ASN 45 2HD2 ASN 45 20.815 7.900 2.742 367 H LYS 46 H LYS 46 16.847 11.776 6.397 368 HA LYS 46 HA LYS 46 18.040 9.994 8.311 369 HB2 LYS 46 2HB LYS 46 19.694 11.496 9.244 370 HB3 LYS 46 3HB LYS 46 20.048 11.209 7.550 371 HG2 LYS 46 2HG LYS 46 18.647 13.670 8.584 372 HG3 LYS 46 3HG LYS 46 20.385 13.558 8.318 373 HD2 LYS 46 2HD LYS 46 19.909 13.017 5.920 374 HD3 LYS 46 3HD LYS 46 18.202 13.335 6.241 375 HE2 LYS 46 2HE LYS 46 19.265 15.294 5.263 376 HE3 LYS 46 3HE LYS 46 18.765 15.630 6.920 377 HZ1 LYS 46 3HZ LYS 46 21.046 15.306 7.644 378 HZ2 LYS 46 1HZ LYS 46 20.989 16.485 6.434 379 HZ3 LYS 46 2HZ LYS 46 21.527 14.925 6.071 380 H ALA 47 H ALA 47 17.332 10.321 10.412 381 HA ALA 47 HA ALA 47 14.878 11.820 10.629 382 HB1 ALA 47 3HB ALA 47 16.320 10.171 12.705 383 HB2 ALA 47 1HB ALA 47 15.101 9.577 11.578 384 HB3 ALA 47 2HB ALA 47 14.660 10.761 12.809 385 H GLU 48 H GLU 48 18.169 12.296 11.659 386 HA GLU 48 HA GLU 48 17.948 14.035 13.794 387 HB2 GLU 48 2HB GLU 48 20.109 14.957 13.125 388 HB3 GLU 48 3HB GLU 48 20.098 13.210 12.911 389 HG2 GLU 48 2HG GLU 48 19.719 13.494 10.518 390 HG3 GLU 48 3HG GLU 48 19.696 15.244 10.719 391 H LYS 49 H LYS 49 17.435 14.718 10.381 392 HA LYS 49 HA LYS 49 16.526 17.435 11.094 393 HB2 LYS 49 2HB LYS 49 18.693 17.190 9.691 394 HB3 LYS 49 3HB LYS 49 17.632 16.705 8.380 395 HG2 LYS 49 2HG LYS 49 17.320 19.320 9.845 396 HG3 LYS 49 3HG LYS 49 18.353 19.131 8.430 397 HD2 LYS 49 2HD LYS 49 16.391 18.397 7.122 398 HD3 LYS 49 3HD LYS 49 15.370 18.641 8.539 399 HE2 LYS 49 2HE LYS 49 15.223 20.541 7.004 400 HE3 LYS 49 3HE LYS 49 15.930 21.022 8.547 401 HZ1 LYS 49 3HZ LYS 49 17.471 20.418 6.080 402 HZ2 LYS 49 1HZ LYS 49 18.111 20.953 7.551 403 HZ3 LYS 49 2HZ LYS 49 17.109 21.967 6.650 404 H SER 50 H SER 50 14.420 16.609 11.403 405 HA SER 50 HA SER 50 12.818 16.452 9.007 406 HG SER 50 HG SER 50 11.313 13.204 9.821 407 HB2 SER 50 2HB SER 50 13.450 14.114 9.118 408 HB3 SER 50 3HB SER 50 13.063 14.043 10.837 409 H GLU 51 H GLU 51 10.438 16.116 9.622 410 HA GLU 51 HA GLU 51 9.894 17.330 12.267 411 HB2 GLU 51 2HB GLU 51 8.255 17.506 9.725 412 HB3 GLU 51 3HB GLU 51 7.810 18.215 11.273 413 HG2 GLU 51 2HG GLU 51 9.802 19.648 11.179 414 HG3 GLU 51 3HG GLU 51 10.220 18.951 9.615 415 H ALA 52 H ALA 52 9.526 14.518 10.408 416 HA ALA 52 HA ALA 52 7.981 13.207 12.446 417 HB1 ALA 52 3HB ALA 52 6.162 14.332 11.247 418 HB2 ALA 52 1HB ALA 52 6.059 12.579 11.073 419 HB3 ALA 52 2HB ALA 52 6.673 13.563 9.743 420 H ILE 53 H ILE 53 7.572 10.872 11.894 421 HA ILE 53 HA ILE 53 9.406 9.821 9.839 422 HB ILE 53 HB ILE 53 9.302 8.941 12.732 423 HG12 ILE 53 2HG1 ILE 53 11.587 9.907 10.985 424 HG13 ILE 53 3HG1 ILE 53 10.792 10.837 12.252 425 HG21 ILE 53 1HG2 ILE 53 10.643 7.542 10.413 426 HG22 ILE 53 2HG2 ILE 53 9.290 6.935 11.369 427 HG23 ILE 53 3HG2 ILE 53 10.875 7.139 12.114 428 HD11 ILE 53 3HD1 ILE 53 11.591 9.239 13.918 429 HD12 ILE 53 1HD1 ILE 53 12.917 9.967 13.012 430 HD13 ILE 53 2HD1 ILE 53 12.398 8.323 12.644 431 H ILE 54 H ILE 54 8.377 8.488 8.521 432 HA ILE 54 HA ILE 54 5.926 7.128 9.415 433 HB ILE 54 HB ILE 54 7.008 7.545 6.613 434 HG12 ILE 54 2HG1 ILE 54 4.817 8.842 6.370 435 HG13 ILE 54 3HG1 ILE 54 4.683 8.767 8.121 436 HG21 ILE 54 1HG2 ILE 54 4.883 6.550 5.831 437 HG22 ILE 54 2HG2 ILE 54 4.490 6.126 7.498 438 HG23 ILE 54 3HG2 ILE 54 5.892 5.400 6.709 439 HD11 ILE 54 3HD1 ILE 54 6.897 10.080 6.559 440 HD12 ILE 54 1HD1 ILE 54 6.797 9.994 8.319 441 HD13 ILE 54 2HD1 ILE 54 5.582 10.892 7.409 442 H GLN 55 H GLN 55 6.173 5.114 10.141 443 HA GLN 55 HA GLN 55 8.471 3.520 9.212 444 HB2 GLN 55 2HB GLN 55 8.330 3.872 11.632 445 HB3 GLN 55 3HB GLN 55 6.714 3.178 11.657 446 HG2 GLN 55 2HG GLN 55 7.724 1.043 10.798 447 HG3 GLN 55 3HG GLN 55 9.308 1.769 11.055 448 HE21 GLN 55 1HE2 GLN 55 8.134 -0.580 12.283 449 HE22 GLN 55 2HE2 GLN 55 8.151 -0.298 13.982 450 H ILE 56 H ILE 56 7.874 2.323 7.447 451 HA ILE 56 HA ILE 56 5.316 0.918 7.507 452 HB ILE 56 HB ILE 56 6.078 1.959 5.391 453 HG12 ILE 56 2HG1 ILE 56 4.514 -0.042 5.473 454 HG13 ILE 56 3HG1 ILE 56 5.317 0.247 3.938 455 HG21 ILE 56 1HG2 ILE 56 7.840 0.928 4.046 456 HG22 ILE 56 2HG2 ILE 56 8.228 -0.153 5.383 457 HG23 ILE 56 3HG2 ILE 56 8.465 1.585 5.559 458 HD11 ILE 56 3HD1 ILE 56 6.892 -1.556 4.425 459 HD12 ILE 56 1HD1 ILE 56 5.220 -2.118 4.460 460 HD13 ILE 56 2HD1 ILE 56 6.089 -1.843 5.970 461 H VAL 57 H VAL 57 5.225 -0.844 8.718 462 HA VAL 57 HA VAL 57 7.542 -2.159 9.708 463 HB VAL 57 HB VAL 57 4.647 -3.033 9.889 464 HG11 VAL 57 1HG1 VAL 57 5.359 -4.328 11.846 465 HG12 VAL 57 2HG1 VAL 57 7.033 -3.847 11.561 466 HG13 VAL 57 3HG1 VAL 57 6.194 -4.859 10.387 467 HG21 VAL 57 3HG2 VAL 57 6.305 -1.377 11.805 468 HG22 VAL 57 1HG2 VAL 57 4.657 -1.941 12.087 469 HG23 VAL 57 2HG2 VAL 57 4.984 -0.785 10.796 470 H HIS 58 H HIS 58 4.895 -3.423 7.630 471 HA HIS 58 HA HIS 58 6.686 -4.974 6.034 472 HD1 HIS 58 HD1 HIS 58 8.280 -7.270 6.272 473 HD2 HIS 58 HD2 HIS 58 4.415 -8.780 6.448 474 HE1 HIS 58 HE1 HIS 58 8.342 -9.434 4.999 475 HE2 HIS 58 HE2 HIS 58 6.040 -10.410 5.284 476 HB2 HIS 58 2HB HIS 58 6.654 -6.264 8.201 477 HB3 HIS 58 3HB HIS 58 4.940 -6.556 7.937 478 H ALA 59 H ALA 59 5.749 -5.540 4.132 479 HA ALA 59 HA ALA 59 2.846 -5.107 3.833 480 HB1 ALA 59 3HB ALA 59 4.291 -3.673 2.454 481 HB2 ALA 59 1HB ALA 59 3.291 -4.738 1.467 482 HB3 ALA 59 2HB ALA 59 4.999 -5.108 1.710 483 H ILE 60 H ILE 60 1.693 -6.948 3.862 484 HA ILE 60 HA ILE 60 2.922 -9.467 2.963 485 HB ILE 60 HB ILE 60 0.311 -9.098 4.457 486 HG12 ILE 60 2HG1 ILE 60 1.698 -10.128 6.387 487 HG13 ILE 60 3HG1 ILE 60 3.112 -9.625 5.468 488 HG21 ILE 60 1HG2 ILE 60 1.947 -11.573 3.890 489 HG22 ILE 60 2HG2 ILE 60 0.378 -11.162 3.196 490 HG23 ILE 60 3HG2 ILE 60 0.515 -11.513 4.919 491 HD11 ILE 60 3HD1 ILE 60 0.936 -7.806 6.486 492 HD12 ILE 60 1HD1 ILE 60 2.374 -7.306 5.596 493 HD13 ILE 60 2HD1 ILE 60 2.534 -8.019 7.201 494 H ARG 61 H ARG 61 2.527 -10.013 0.884 495 HA ARG 61 HA ARG 61 -0.186 -9.515 -0.187 496 HE ARG 61 HE ARG 61 4.537 -11.871 -1.248 497 HB2 ARG 61 2HB ARG 61 0.672 -9.286 -2.390 498 HB3 ARG 61 3HB ARG 61 1.710 -8.302 -1.374 499 HG2 ARG 61 2HG ARG 61 2.422 -11.100 -2.240 500 HG3 ARG 61 3HG ARG 61 2.859 -9.660 -3.153 501 HD2 ARG 61 2HD ARG 61 4.370 -8.941 -1.554 502 HD3 ARG 61 3HD ARG 61 3.589 -9.845 -0.256 503 HH11 ARG 61 1HH1 ARG 61 5.936 -8.865 -2.198 504 HH12 ARG 61 2HH1 ARG 61 7.453 -9.587 -2.597 505 HH21 ARG 61 1HH2 ARG 61 6.499 -12.766 -1.769 506 HH22 ARG 61 2HH2 ARG 61 7.763 -11.751 -2.363 507 H GLU 62 H GLU 62 -1.384 -11.282 -0.684 508 HA GLU 62 HA GLU 62 -0.031 -13.836 -1.243 509 HB2 GLU 62 2HB GLU 62 -2.282 -13.558 0.766 510 HB3 GLU 62 3HB GLU 62 -1.497 -15.057 0.288 511 HG2 GLU 62 2HG GLU 62 0.613 -14.241 1.253 512 HG3 GLU 62 3HG GLU 62 -0.202 -12.761 1.759 513 H LYS 63 H LYS 63 -1.212 -15.294 -2.509 514 HA LYS 63 HA LYS 63 -3.720 -14.237 -3.660 515 HB2 LYS 63 2HB LYS 63 -3.083 -15.664 -5.698 516 HB3 LYS 63 3HB LYS 63 -2.221 -14.159 -5.449 517 HG2 LYS 63 2HG LYS 63 -1.043 -16.689 -4.382 518 HG3 LYS 63 3HG LYS 63 -0.953 -16.360 -6.112 519 HD2 LYS 63 2HD LYS 63 0.074 -14.554 -3.908 520 HD3 LYS 63 3HD LYS 63 1.064 -15.584 -4.946 521 HE2 LYS 63 2HE LYS 63 0.263 -14.318 -6.918 522 HE3 LYS 63 3HE LYS 63 -0.657 -13.265 -5.845 523 HZ1 LYS 63 3HZ LYS 63 2.293 -13.549 -5.958 524 HZ2 LYS 63 1HZ LYS 63 1.476 -12.649 -4.785 525 HZ3 LYS 63 2HZ LYS 63 1.382 -12.202 -6.410 526 H ARG 64 H ARG 64 -5.476 -15.406 -3.356 527 HA ARG 64 HA ARG 64 -5.215 -18.204 -2.429 528 HE ARG 64 HE ARG 64 -8.011 -16.283 0.798 529 HB2 ARG 64 2HB ARG 64 -7.015 -16.002 -1.387 530 HB3 ARG 64 3HB ARG 64 -7.132 -17.688 -0.901 531 HG2 ARG 64 2HG ARG 64 -5.116 -17.627 0.262 532 HG3 ARG 64 3HG ARG 64 -4.557 -16.183 -0.583 533 HD2 ARG 64 2HD ARG 64 -5.271 -15.820 1.801 534 HD3 ARG 64 3HD ARG 64 -6.066 -14.789 0.615 535 HH11 ARG 64 1HH1 ARG 64 -5.674 -16.367 3.329 536 HH12 ARG 64 2HH1 ARG 64 -6.822 -16.886 4.513 537 HH21 ARG 64 1HH2 ARG 64 -9.470 -16.931 2.316 538 HH22 ARG 64 2HH2 ARG 64 -8.957 -17.181 3.950 539 H ILE 65 H ILE 65 -7.504 -19.265 -2.370 540 HA ILE 65 HA ILE 65 -8.886 -18.723 -4.913 541 HB ILE 65 HB ILE 65 -8.475 -21.205 -3.296 542 HG12 ILE 65 2HG1 ILE 65 -7.099 -20.702 -5.298 543 HG13 ILE 65 3HG1 ILE 65 -8.025 -22.189 -5.479 544 HG21 ILE 65 1HG2 ILE 65 -10.892 -21.121 -3.379 545 HG22 ILE 65 2HG2 ILE 65 -10.305 -22.366 -4.482 546 HG23 ILE 65 3HG2 ILE 65 -10.854 -20.814 -5.116 547 HD11 ILE 65 3HD1 ILE 65 -8.033 -20.864 -7.524 548 HD12 ILE 65 1HD1 ILE 65 -8.765 -19.514 -6.655 549 HD13 ILE 65 2HD1 ILE 65 -9.658 -21.022 -6.858 550 H LEU 66 H LEU 66 -10.959 -18.104 -4.973 551 HA LEU 66 HA LEU 66 -12.421 -17.802 -2.438 552 HG LEU 66 HG LEU 66 -14.981 -16.606 -3.674 553 HB2 LEU 66 2HB LEU 66 -12.066 -15.801 -3.864 554 HB3 LEU 66 3HB LEU 66 -12.975 -16.577 -5.147 555 HD11 LEU 66 1HD1 LEU 66 -13.831 -16.587 -1.511 556 HD12 LEU 66 2HD1 LEU 66 -15.009 -15.280 -1.636 557 HD13 LEU 66 3HD1 LEU 66 -13.288 -14.934 -1.817 558 HD21 LEU 66 3HD2 LEU 66 -14.666 -14.808 -5.299 559 HD22 LEU 66 1HD2 LEU 66 -13.758 -13.878 -4.105 560 HD23 LEU 66 2HD2 LEU 66 -15.469 -14.214 -3.846 561 H SER 67 H SER 67 -12.685 -19.230 -5.667 562 HA SER 67 HA SER 67 -14.781 -21.014 -4.716 563 HG SER 67 HG SER 67 -17.082 -21.047 -6.004 564 HB2 SER 67 2HB SER 67 -16.097 -19.129 -5.559 565 HB3 SER 67 3HB SER 67 -15.243 -19.196 -7.100 566 H LEU 68 H LEU 68 -14.878 -22.948 -5.763 567 HA LEU 68 HA LEU 68 -13.189 -23.341 -8.164 568 HG LEU 68 HG LEU 68 -11.789 -23.477 -5.398 569 HB2 LEU 68 2HB LEU 68 -13.503 -25.218 -5.809 570 HB3 LEU 68 3HB LEU 68 -12.701 -25.638 -7.310 571 HD11 LEU 68 1HD1 LEU 68 -11.515 -25.707 -4.440 572 HD12 LEU 68 2HD1 LEU 68 -9.955 -25.001 -4.859 573 HD13 LEU 68 3HD1 LEU 68 -10.667 -26.238 -5.894 574 HD21 LEU 68 3HD2 LEU 68 -11.187 -22.991 -7.710 575 HD22 LEU 68 1HD2 LEU 68 -10.488 -24.602 -7.884 576 HD23 LEU 68 2HD2 LEU 68 -9.759 -23.438 -6.776 577 H SER 69 H SER 69 -13.951 -24.892 -9.674 578 HA SER 69 HA SER 69 -16.657 -25.972 -9.180 579 HG SER 69 HG SER 69 -15.932 -24.305 -12.821 580 HB2 SER 69 2HB SER 69 -17.259 -25.488 -11.530 581 HB3 SER 69 3HB SER 69 -16.894 -24.018 -10.631 582 H GLU 70 H GLU 70 -17.135 -27.948 -10.071 583 HA GLU 70 HA GLU 70 -16.737 -30.096 -10.665 584 HB2 GLU 70 2HB GLU 70 -17.035 -29.057 -12.850 585 HB3 GLU 70 3HB GLU 70 -15.318 -28.692 -12.938 586 HG2 GLU 70 2HG GLU 70 -15.969 -30.639 -14.305 587 HG3 GLU 70 3HG GLU 70 -14.768 -31.029 -13.077 588 H SER 71 H SER 71 -15.387 -30.482 -8.791 589 HA SER 71 HA SER 71 -13.772 -31.840 -7.951 590 HG SER 71 HG SER 71 -14.542 -32.902 -10.763 591 HB2 SER 71 2HB SER 71 -12.613 -31.823 -10.745 592 HB3 SER 71 3HB SER 71 -12.045 -32.844 -9.423 593 H GLY 72 H GLY 72 -12.256 -29.392 -10.124 594 HA2 GLY 72 2HA GLY 72 -11.044 -28.009 -7.974 595 HA3 GLY 72 3HA GLY 72 -9.879 -29.133 -8.649 596 H ARG 73 H ARG 73 -12.322 -27.293 -10.470 597 HA ARG 73 HA ARG 73 -10.163 -26.054 -12.000 598 HE ARG 73 HE ARG 73 -9.731 -27.152 -15.867 599 HB2 ARG 73 2HB ARG 73 -12.861 -26.842 -12.588 600 HB3 ARG 73 3HB ARG 73 -12.705 -25.121 -12.907 601 HG2 ARG 73 2HG ARG 73 -12.237 -26.361 -14.917 602 HG3 ARG 73 3HG ARG 73 -10.758 -25.584 -14.350 603 HD2 ARG 73 2HD ARG 73 -10.099 -27.748 -13.298 604 HD3 ARG 73 3HD ARG 73 -11.523 -28.489 -14.031 605 HH11 ARG 73 1HH1 ARG 73 -10.599 -30.140 -14.378 606 HH12 ARG 73 2HH1 ARG 73 -9.833 -31.084 -15.609 607 HH21 ARG 73 1HH2 ARG 73 -8.753 -28.380 -17.418 608 HH22 ARG 73 2HH2 ARG 73 -8.793 -30.106 -17.297 609 H VAL 74 H VAL 74 -9.566 -23.968 -11.848 610 HA VAL 74 HA VAL 74 -10.384 -22.456 -9.573 611 HB VAL 74 HB VAL 74 -8.620 -21.664 -11.903 612 HG11 VAL 74 1HG1 VAL 74 -9.454 -19.674 -10.790 613 HG12 VAL 74 2HG1 VAL 74 -7.750 -19.906 -10.405 614 HG13 VAL 74 3HG1 VAL 74 -8.987 -20.324 -9.220 615 HG21 VAL 74 3HG2 VAL 74 -7.801 -23.604 -10.628 616 HG22 VAL 74 1HG2 VAL 74 -7.866 -22.646 -9.147 617 HG23 VAL 74 2HG2 VAL 74 -6.754 -22.197 -10.442 618 H ARG 75 H ARG 75 -11.884 -20.887 -9.385 619 HA ARG 75 HA ARG 75 -13.040 -19.721 -11.844 620 HE ARG 75 HE ARG 75 -17.121 -19.599 -11.528 621 HB2 ARG 75 2HB ARG 75 -14.211 -20.038 -9.076 622 HB3 ARG 75 3HB ARG 75 -14.952 -19.044 -10.324 623 HG2 ARG 75 2HG ARG 75 -15.033 -21.130 -11.761 624 HG3 ARG 75 3HG ARG 75 -14.582 -22.033 -10.309 625 HD2 ARG 75 2HD ARG 75 -17.036 -21.967 -10.696 626 HD3 ARG 75 3HD ARG 75 -16.560 -21.254 -9.152 627 HH11 ARG 75 1HH1 ARG 75 -17.594 -20.299 -8.179 628 HH12 ARG 75 2HH1 ARG 75 -18.511 -18.856 -7.913 629 HH21 ARG 75 1HH2 ARG 75 -18.268 -17.752 -11.138 630 HH22 ARG 75 2HH2 ARG 75 -18.902 -17.454 -9.555 631 H GLU 76 H GLU 76 -12.788 -18.636 -8.447 632 HA GLU 76 HA GLU 76 -11.910 -16.000 -9.451 633 HB2 GLU 76 2HB GLU 76 -13.548 -16.527 -6.960 634 HB3 GLU 76 3HB GLU 76 -13.135 -14.958 -7.643 635 HG2 GLU 76 2HG GLU 76 -14.461 -15.502 -9.646 636 HG3 GLU 76 3HG GLU 76 -14.903 -17.043 -8.916 637 H PHE 77 H PHE 77 -10.113 -15.131 -8.605 638 HA PHE 77 HA PHE 77 -8.669 -16.668 -6.547 639 HD1 PHE 77 HD1 PHE 77 -7.684 -18.321 -7.997 640 HD2 PHE 77 HD2 PHE 77 -4.923 -15.109 -7.531 641 HE1 PHE 77 HE1 PHE 77 -5.873 -19.936 -7.593 642 HE2 PHE 77 HE2 PHE 77 -3.115 -16.722 -7.125 643 HZ PHE 77 HZ PHE 77 -3.585 -19.138 -7.158 644 HB2 PHE 77 2HB PHE 77 -7.877 -15.771 -9.071 645 HB3 PHE 77 3HB PHE 77 -7.128 -14.617 -7.975 646 H GLU 78 H GLU 78 -8.551 -15.803 -4.549 647 HA GLU 78 HA GLU 78 -9.319 -13.036 -4.098 648 HB2 GLU 78 2HB GLU 78 -10.262 -14.670 -2.593 649 HB3 GLU 78 3HB GLU 78 -8.666 -15.290 -2.184 650 HG2 GLU 78 2HG GLU 78 -8.105 -13.189 -1.091 651 HG3 GLU 78 3HG GLU 78 -9.665 -12.513 -1.553 652 H LEU 79 H LEU 79 -7.730 -11.603 -4.556 653 HA LEU 79 HA LEU 79 -4.973 -12.101 -3.730 654 HG LEU 79 HG LEU 79 -6.405 -11.651 -6.583 655 HB2 LEU 79 2HB LEU 79 -6.156 -9.683 -5.114 656 HB3 LEU 79 3HB LEU 79 -4.450 -10.043 -4.923 657 HD11 LEU 79 1HD1 LEU 79 -5.192 -10.774 -8.508 658 HD12 LEU 79 2HD1 LEU 79 -4.175 -9.803 -7.443 659 HD13 LEU 79 3HD1 LEU 79 -5.902 -9.465 -7.564 660 HD21 LEU 79 3HD2 LEU 79 -3.422 -11.953 -6.216 661 HD22 LEU 79 1HD2 LEU 79 -4.401 -12.831 -7.395 662 HD23 LEU 79 2HD2 LEU 79 -4.667 -13.077 -5.671 663 H VAL 80 H VAL 80 -4.705 -11.823 -1.561 664 HA VAL 80 HA VAL 80 -5.996 -9.511 -0.270 665 HB VAL 80 HB VAL 80 -6.508 -11.625 0.796 666 HG11 VAL 80 1HG1 VAL 80 -4.807 -13.026 1.847 667 HG12 VAL 80 2HG1 VAL 80 -3.537 -11.976 1.220 668 HG13 VAL 80 3HG1 VAL 80 -4.540 -12.906 0.106 669 HG21 VAL 80 3HG2 VAL 80 -6.311 -9.657 2.236 670 HG22 VAL 80 1HG2 VAL 80 -4.600 -10.003 2.494 671 HG23 VAL 80 2HG2 VAL 80 -5.827 -11.119 3.096 672 H TYR 81 H TYR 81 -4.853 -7.799 0.355 673 HA TYR 81 HA TYR 81 -1.918 -8.049 0.598 674 HD1 TYR 81 HD2 TYR 81 -0.115 -7.221 0.150 675 HD2 TYR 81 HD1 TYR 81 -2.209 -3.729 -1.108 676 HE1 TYR 81 HE2 TYR 81 1.972 -5.936 0.255 677 HE2 TYR 81 HE1 TYR 81 -0.117 -2.438 -1.008 678 HH TYR 81 HH TYR 81 2.047 -2.512 0.025 679 HB2 TYR 81 2HB TYR 81 -2.632 -6.881 -1.497 680 HB3 TYR 81 3HB TYR 81 -3.433 -5.666 -0.508 681 H ARG 82 H ARG 82 -0.969 -7.062 2.326 682 HA ARG 82 HA ARG 82 -2.693 -5.549 4.188 683 HE ARG 82 HE ARG 82 -4.249 -10.254 6.592 684 HB2 ARG 82 2HB ARG 82 -0.667 -7.676 4.932 685 HB3 ARG 82 3HB ARG 82 -1.598 -6.709 6.068 686 HG2 ARG 82 2HG ARG 82 -3.653 -7.750 5.340 687 HG3 ARG 82 3HG ARG 82 -2.792 -8.630 4.075 688 HD2 ARG 82 2HD ARG 82 -1.479 -9.801 5.800 689 HD3 ARG 82 3HD ARG 82 -2.375 -8.943 7.052 690 HH11 ARG 82 1HH1 ARG 82 -1.667 -11.004 4.444 691 HH12 ARG 82 2HH1 ARG 82 -2.334 -12.529 3.984 692 HH21 ARG 82 1HH2 ARG 82 -5.113 -12.208 6.000 693 HH22 ARG 82 2HH2 ARG 82 -4.275 -13.207 4.864 694 H VAL 83 H VAL 83 -1.855 -3.578 4.589 695 HA VAL 83 HA VAL 83 1.080 -3.241 4.457 696 HB VAL 83 HB VAL 83 -1.029 -1.085 4.212 697 HG11 VAL 83 1HG1 VAL 83 1.966 -0.995 3.805 698 HG12 VAL 83 2HG1 VAL 83 1.057 -0.228 5.108 699 HG13 VAL 83 3HG1 VAL 83 0.849 0.324 3.447 700 HG21 VAL 83 3HG2 VAL 83 -0.431 -1.015 1.823 701 HG22 VAL 83 1HG2 VAL 83 -1.114 -2.574 2.285 702 HG23 VAL 83 2HG2 VAL 83 0.625 -2.409 2.054 703 H ALA 84 H ALA 84 1.793 -3.580 6.509 704 HA ALA 84 HA ALA 84 0.431 -2.328 8.774 705 HB1 ALA 84 3HB ALA 84 2.880 -4.096 8.707 706 HB2 ALA 84 1HB ALA 84 1.228 -4.634 9.015 707 HB3 ALA 84 2HB ALA 84 2.034 -3.559 10.158 708 H ALA 85 H ALA 85 0.973 -0.338 9.471 709 HA ALA 85 HA ALA 85 3.743 0.594 9.238 710 HB1 ALA 85 3HB ALA 85 1.418 2.189 8.157 711 HB2 ALA 85 1HB ALA 85 2.619 1.338 7.184 712 HB3 ALA 85 2HB ALA 85 3.108 2.695 8.199 713 H ARG 86 H ARG 86 4.101 2.682 10.372 714 HA ARG 86 HA ARG 86 2.254 3.203 12.599 715 HE ARG 86 HE ARG 86 3.895 -0.920 14.920 716 HB2 ARG 86 2HB ARG 86 5.242 2.765 12.838 717 HB3 ARG 86 3HB ARG 86 4.239 3.437 14.117 718 HG2 ARG 86 2HG ARG 86 2.930 1.340 14.148 719 HG3 ARG 86 3HG ARG 86 4.022 0.670 12.934 720 HD2 ARG 86 2HD ARG 86 5.895 0.862 14.460 721 HD3 ARG 86 3HD ARG 86 4.877 1.667 15.656 722 HH11 ARG 86 1HH1 ARG 86 6.156 0.705 16.959 723 HH12 ARG 86 2HH1 ARG 86 6.153 -0.558 18.139 724 HH21 ARG 86 1HH2 ARG 86 3.908 -2.518 16.441 725 HH22 ARG 86 2HH2 ARG 86 4.893 -2.354 17.857 726 H LEU 87 H LEU 87 2.562 5.330 13.595 727 HA LEU 87 HA LEU 87 3.831 7.266 11.752 728 HG LEU 87 HG LEU 87 2.494 9.106 10.869 729 HB2 LEU 87 2HB LEU 87 1.248 7.109 11.842 730 HB3 LEU 87 3HB LEU 87 1.391 7.884 13.406 731 HD11 LEU 87 1HD1 LEU 87 0.092 8.748 10.622 732 HD12 LEU 87 2HD1 LEU 87 0.475 10.464 10.772 733 HD13 LEU 87 3HD1 LEU 87 -0.198 9.586 12.147 734 HD21 LEU 87 3HD2 LEU 87 1.828 10.299 13.570 735 HD22 LEU 87 1HD2 LEU 87 2.390 11.199 12.160 736 HD23 LEU 87 2HD2 LEU 87 3.446 10.014 12.927 737 H LEU 88 H LEU 88 5.660 7.846 12.781 738 HA LEU 88 HA LEU 88 5.531 8.540 15.656 739 HG LEU 88 HG LEU 88 6.220 6.061 15.949 740 HB2 LEU 88 2HB LEU 88 7.965 7.663 14.078 741 HB3 LEU 88 3HB LEU 88 7.909 8.006 15.796 742 HD11 LEU 88 1HD1 LEU 88 5.750 5.845 13.567 743 HD12 LEU 88 2HD1 LEU 88 6.414 4.349 14.221 744 HD13 LEU 88 3HD1 LEU 88 7.434 5.422 13.261 745 HD21 LEU 88 3HD2 LEU 88 8.475 5.916 16.837 746 HD22 LEU 88 1HD2 LEU 88 9.104 5.516 15.238 747 HD23 LEU 88 2HD2 LEU 88 8.022 4.395 16.067 748 H ASP 89 H ASP 89 7.206 10.220 16.315 749 HA ASP 89 HA ASP 89 7.154 12.442 14.429 750 HB2 ASP 89 2HB ASP 89 7.608 13.847 16.235 751 HB3 ASP 89 3HB ASP 89 6.692 12.555 17.003 752 H ALA 90 H ALA 90 9.411 13.843 14.862 753 HA ALA 90 HA ALA 90 11.288 12.540 13.203 754 HB1 ALA 90 3HB ALA 90 12.670 14.512 13.498 755 HB2 ALA 90 1HB ALA 90 11.695 15.015 14.879 756 HB3 ALA 90 2HB ALA 90 10.982 14.971 13.266 757 H HIS 91 H HIS 91 10.834 12.116 16.523 758 HA HIS 91 HA HIS 91 13.631 11.219 16.879 759 HD1 HIS 91 HD1 HIS 91 15.334 13.215 18.429 760 HD2 HIS 91 HD2 HIS 91 11.548 14.852 17.938 761 HE1 HIS 91 HE1 HIS 91 15.712 15.631 17.888 762 HE2 HIS 91 HE2 HIS 91 13.423 16.530 17.362 763 HB2 HIS 91 2HB HIS 91 11.740 12.282 18.995 764 HB3 HIS 91 3HB HIS 91 13.383 11.705 19.280 765 H ASN 92 H ASN 92 11.180 9.736 15.923 766 HA ASN 92 HA ASN 92 10.531 7.564 15.956 767 HB2 ASN 92 2HB ASN 92 12.865 7.264 17.860 768 HB3 ASN 92 3HB ASN 92 11.948 5.911 17.201 769 HD21 ASN 92 1HD2 ASN 92 14.220 8.440 16.494 770 HD22 ASN 92 2HD2 ASN 92 14.692 7.845 14.943 771 H ALA 93 H ALA 93 9.432 9.497 18.001 772 HA ALA 93 HA ALA 93 8.354 7.497 19.885 773 HB1 ALA 93 3HB ALA 93 8.059 10.507 19.943 774 HB2 ALA 93 1HB ALA 93 9.218 9.571 20.891 775 HB3 ALA 93 2HB ALA 93 7.487 9.378 21.172 776 H GLU 94 H GLU 94 6.292 6.755 19.650 777 HA GLU 94 HA GLU 94 4.915 7.138 17.245 778 HB2 GLU 94 2HB GLU 94 3.020 5.925 18.374 779 HB3 GLU 94 3HB GLU 94 4.572 5.101 18.419 780 HG2 GLU 94 2HG GLU 94 4.908 5.854 20.722 781 HG3 GLU 94 3HG GLU 94 3.346 6.673 20.676 782 H LEU 95 H LEU 95 4.055 8.966 16.593 783 HA LEU 95 HA LEU 95 2.955 10.931 18.411 784 HG LEU 95 HG LEU 95 3.304 13.438 15.662 785 HB2 LEU 95 2HB LEU 95 4.332 11.391 16.303 786 HB3 LEU 95 3HB LEU 95 2.901 10.975 15.385 787 HD11 LEU 95 1HD1 LEU 95 1.070 12.609 15.123 788 HD12 LEU 95 2HD1 LEU 95 1.000 14.040 16.149 789 HD13 LEU 95 3HD1 LEU 95 0.710 12.445 16.843 790 HD21 LEU 95 3HD2 LEU 95 4.178 13.402 17.941 791 HD22 LEU 95 1HD2 LEU 95 2.599 12.900 18.550 792 HD23 LEU 95 2HD2 LEU 95 2.795 14.489 17.809 793 H ALA 96 H ALA 96 1.751 8.807 15.836 794 HA ALA 96 HA ALA 96 -0.944 8.980 17.003 795 HB1 ALA 96 3HB ALA 96 -0.915 10.513 15.101 796 HB2 ALA 96 1HB ALA 96 -1.951 9.125 14.773 797 HB3 ALA 96 2HB ALA 96 -0.345 9.216 14.050 798 H SER 97 H SER 97 -1.797 7.009 17.350 799 HA SER 97 HA SER 97 -0.427 4.633 16.666 800 HG SER 97 HG SER 97 -1.237 3.883 19.217 801 HB2 SER 97 2HB SER 97 -3.250 5.035 17.685 802 HB3 SER 97 3HB SER 97 -2.469 3.461 17.531 803 H LEU 98 H LEU 98 -0.152 4.684 14.414 804 HA LEU 98 HA LEU 98 -2.366 4.683 12.592 805 HG LEU 98 HG LEU 98 -0.832 3.229 10.161 806 HB2 LEU 98 2HB LEU 98 -0.029 5.441 12.064 807 HB3 LEU 98 3HB LEU 98 0.481 3.767 12.121 808 HD11 LEU 98 1HD1 LEU 98 -2.154 4.890 8.971 809 HD12 LEU 98 2HD1 LEU 98 -1.793 6.094 10.209 810 HD13 LEU 98 3HD1 LEU 98 -2.764 4.677 10.611 811 HD21 LEU 98 3HD2 LEU 98 1.391 4.191 9.785 812 HD22 LEU 98 1HD2 LEU 98 0.687 5.811 9.746 813 HD23 LEU 98 2HD2 LEU 98 0.275 4.636 8.495 814 H GLN 99 H GLN 99 -2.838 2.775 11.112 815 HA GLN 99 HA GLN 99 -2.645 0.249 12.633 816 HB2 GLN 99 2HB GLN 99 -4.979 -0.252 12.067 817 HB3 GLN 99 3HB GLN 99 -4.840 1.222 13.016 818 HG2 GLN 99 2HG GLN 99 -5.108 2.564 10.991 819 HG3 GLN 99 3HG GLN 99 -5.233 1.092 10.028 820 HE21 GLN 99 1HE2 GLN 99 -7.107 -0.151 10.164 821 HE22 GLN 99 2HE2 GLN 99 -8.563 0.457 10.864 822 H GLU 100 H GLU 100 -3.580 -1.623 11.241 823 HA GLU 100 HA GLU 100 -1.907 -1.830 8.904 824 HB2 GLU 100 2HB GLU 100 -2.688 -4.167 8.848 825 HB3 GLU 100 3HB GLU 100 -2.130 -3.711 10.452 826 HG2 GLU 100 2HG GLU 100 -4.515 -3.328 11.098 827 HG3 GLU 100 3HG GLU 100 -4.988 -3.985 9.532 828 H ILE 101 H ILE 101 -2.517 -1.937 6.778 829 HA ILE 101 HA ILE 101 -5.291 -1.236 6.113 830 HB ILE 101 HB ILE 101 -2.819 -1.263 4.362 831 HG12 ILE 101 2HG1 ILE 101 -4.333 1.057 5.606 832 HG13 ILE 101 3HG1 ILE 101 -2.746 0.477 6.102 833 HG21 ILE 101 1HG2 ILE 101 -4.209 -0.044 2.728 834 HG22 ILE 101 2HG2 ILE 101 -5.613 -0.269 3.770 835 HG23 ILE 101 3HG2 ILE 101 -4.820 -1.667 3.043 836 HD11 ILE 101 3HD1 ILE 101 -3.435 1.705 3.442 837 HD12 ILE 101 1HD1 ILE 101 -1.846 1.099 3.912 838 HD13 ILE 101 2HD1 ILE 101 -2.551 2.474 4.759 839 H ARG 102 H ARG 102 -6.561 -2.985 5.892 840 HA ARG 102 HA ARG 102 -5.518 -5.458 4.719 841 HE ARG 102 HE ARG 102 -9.818 -5.669 6.780 842 HB2 ARG 102 2HB ARG 102 -6.815 -5.588 6.810 843 HB3 ARG 102 3HB ARG 102 -8.193 -4.847 6.008 844 HG2 ARG 102 2HG ARG 102 -8.372 -6.782 4.519 845 HG3 ARG 102 3HG ARG 102 -6.984 -7.524 5.317 846 HD2 ARG 102 2HD ARG 102 -9.081 -8.448 6.168 847 HD3 ARG 102 3HD ARG 102 -8.213 -7.573 7.430 848 HH11 ARG 102 1HH1 ARG 102 -10.597 -9.021 6.734 849 HH12 ARG 102 2HH1 ARG 102 -12.284 -8.746 7.001 850 HH21 ARG 102 1HH2 ARG 102 -11.986 -5.324 7.146 851 HH22 ARG 102 2HH2 ARG 102 -13.063 -6.676 7.228 852 H LEU 103 H LEU 103 -5.782 -5.887 2.621 853 HA LEU 103 HA LEU 103 -8.009 -4.624 1.139 854 HG LEU 103 HG LEU 103 -5.526 -2.944 1.533 855 HB2 LEU 103 2HB LEU 103 -5.153 -5.060 0.251 856 HB3 LEU 103 3HB LEU 103 -6.448 -4.589 -0.833 857 HD11 LEU 103 1HD1 LEU 103 -3.777 -3.092 -0.162 858 HD12 LEU 103 2HD1 LEU 103 -4.490 -1.480 -0.137 859 HD13 LEU 103 3HD1 LEU 103 -4.928 -2.619 -1.411 860 HD21 LEU 103 3HD2 LEU 103 -7.413 -2.314 -0.746 861 HD22 LEU 103 1HD2 LEU 103 -6.868 -1.170 0.482 862 HD23 LEU 103 2HD2 LEU 103 -7.859 -2.553 0.944 863 H THR 104 H THR 104 -9.078 -5.851 -0.373 864 HA THR 104 HA THR 104 -8.070 -8.536 -1.036 865 HB THR 104 HB THR 104 -10.455 -9.410 -0.889 866 HG1 THR 104 HG1 THR 104 -10.765 -6.912 0.435 867 HG21 THR 104 3HG2 THR 104 -9.127 -8.586 1.701 868 HG22 THR 104 1HG2 THR 104 -8.769 -10.039 0.762 869 HG23 THR 104 2HG2 THR 104 -10.346 -9.848 1.526 870 H ARG 105 H ARG 105 -8.039 -8.804 -3.176 871 HA ARG 105 HA ARG 105 -9.942 -7.292 -4.866 872 HE ARG 105 HE ARG 105 -8.510 -3.508 -7.300 873 HB2 ARG 105 2HB ARG 105 -7.371 -6.607 -4.722 874 HB3 ARG 105 3HB ARG 105 -7.182 -7.934 -5.856 875 HG2 ARG 105 2HG ARG 105 -7.358 -5.832 -7.038 876 HG3 ARG 105 3HG ARG 105 -8.771 -6.832 -7.383 877 HD2 ARG 105 2HD ARG 105 -10.149 -5.546 -5.936 878 HD3 ARG 105 3HD ARG 105 -8.761 -4.720 -5.232 879 HH11 ARG 105 1HH1 ARG 105 -11.454 -5.293 -7.023 880 HH12 ARG 105 2HH1 ARG 105 -12.286 -4.275 -8.147 881 HH21 ARG 105 1HH2 ARG 105 -9.617 -2.214 -8.711 882 HH22 ARG 105 2HH2 ARG 105 -11.278 -2.560 -9.066 883 H ILE 106 H ILE 106 -10.938 -8.470 -6.500 884 HA ILE 106 HA ILE 106 -10.424 -11.362 -6.408 885 HB ILE 106 HB ILE 106 -12.836 -9.887 -7.487 886 HG12 ILE 106 2HG1 ILE 106 -12.662 -9.665 -5.061 887 HG13 ILE 106 3HG1 ILE 106 -13.972 -10.767 -5.463 888 HG21 ILE 106 1HG2 ILE 106 -13.903 -12.135 -7.488 889 HG22 ILE 106 2HG2 ILE 106 -12.331 -12.845 -7.118 890 HG23 ILE 106 3HG2 ILE 106 -12.575 -11.990 -8.640 891 HD11 ILE 106 3HD1 ILE 106 -12.667 -11.548 -3.557 892 HD12 ILE 106 1HD1 ILE 106 -11.218 -11.588 -4.561 893 HD13 ILE 106 2HD1 ILE 106 -12.566 -12.670 -4.914 894 H LEU 107 H LEU 107 -9.236 -12.233 -7.940 895 HA LEU 107 HA LEU 107 -9.124 -11.066 -10.632 896 HG LEU 107 HG LEU 107 -5.687 -12.519 -11.052 897 HB2 LEU 107 2HB LEU 107 -7.028 -11.586 -9.348 898 HB3 LEU 107 3HB LEU 107 -7.449 -13.282 -9.419 899 HD11 LEU 107 1HD1 LEU 107 -6.904 -14.609 -11.400 900 HD12 LEU 107 2HD1 LEU 107 -6.508 -13.821 -12.927 901 HD13 LEU 107 3HD1 LEU 107 -8.150 -13.735 -12.294 902 HD21 LEU 107 3HD2 LEU 107 -6.421 -11.361 -13.082 903 HD22 LEU 107 1HD2 LEU 107 -6.621 -10.364 -11.642 904 HD23 LEU 107 2HD2 LEU 107 -8.023 -11.145 -12.375 905 HA PRO 108 HA PRO 108 -11.943 -14.453 -11.727 906 HB2 PRO 108 2HB PRO 108 -12.769 -13.463 -14.087 907 HB3 PRO 108 3HB PRO 108 -13.322 -12.788 -12.549 908 HG2 PRO 108 2HG PRO 108 -11.199 -11.776 -14.410 909 HG3 PRO 108 3HG PRO 108 -12.452 -10.867 -13.544 910 HD2 PRO 108 2HD PRO 108 -9.839 -11.078 -12.703 911 HD3 PRO 108 3HD PRO 108 -11.208 -10.768 -11.617 912 H PHE 109 H PHE 109 -11.064 -16.333 -12.370 913 HA PHE 109 HA PHE 109 -9.117 -16.419 -14.547 914 HD1 PHE 109 HD2 PHE 109 -6.836 -18.104 -14.338 915 HD2 PHE 109 HD1 PHE 109 -10.326 -20.503 -13.929 916 HE1 PHE 109 HE2 PHE 109 -5.778 -19.867 -15.687 917 HE2 PHE 109 HE1 PHE 109 -9.276 -22.271 -15.277 918 HZ PHE 109 HZ PHE 109 -6.997 -21.951 -16.159 919 HB2 PHE 109 2HB PHE 109 -8.561 -17.686 -12.554 920 HB3 PHE 109 3HB PHE 109 -10.092 -18.549 -12.626 921 H LEU 110 H LEU 110 -9.737 -16.799 -16.596 922 HA LEU 110 HA LEU 110 -11.826 -18.771 -17.116 923 HG LEU 110 HG LEU 110 -13.067 -17.796 -19.758 924 HB2 LEU 110 2HB LEU 110 -12.876 -16.464 -17.041 925 HB3 LEU 110 3HB LEU 110 -11.919 -16.064 -18.456 926 HD11 LEU 110 1HD1 LEU 110 -14.640 -18.306 -17.229 927 HD12 LEU 110 2HD1 LEU 110 -13.495 -19.411 -17.990 928 HD13 LEU 110 3HD1 LEU 110 -14.995 -18.993 -18.816 929 HD21 LEU 110 3HD2 LEU 110 -14.998 -15.985 -18.299 930 HD22 LEU 110 1HD2 LEU 110 -15.284 -16.771 -19.852 931 HD23 LEU 110 2HD2 LEU 110 -14.029 -15.543 -19.703 932 H ASP 111 H ASP 111 -11.469 -19.966 -18.922 933 HA ASP 111 HA ASP 111 -8.821 -20.179 -19.797 934 HB2 ASP 111 2HB ASP 111 -10.322 -22.080 -19.668 935 HB3 ASP 111 3HB ASP 111 -11.351 -21.396 -20.920 936 H ALA 112 H ALA 112 -11.671 -19.230 -21.761 937 HA ALA 112 HA ALA 112 -10.131 -18.716 -24.100 938 HB1 ALA 112 3HB ALA 112 -12.929 -17.789 -23.458 939 HB2 ALA 112 1HB ALA 112 -12.505 -19.348 -24.165 940 HB3 ALA 112 2HB ALA 112 -12.189 -17.859 -25.057 941 H GLN 113 H GLN 113 -10.553 -16.849 -21.303 942 HA GLN 113 HA GLN 113 -10.117 -14.309 -22.726 943 HB2 GLN 113 2HB GLN 113 -10.856 -14.811 -19.832 944 HB3 GLN 113 3HB GLN 113 -10.680 -13.228 -20.578 945 HG2 GLN 113 2HG GLN 113 -12.734 -15.320 -21.270 946 HG3 GLN 113 3HG GLN 113 -13.015 -13.811 -20.406 947 HE21 GLN 113 1HE2 GLN 113 -14.224 -14.774 -22.868 948 HE22 GLN 113 2HE2 GLN 113 -13.887 -13.581 -24.066 949 H GLU 114 H GLU 114 -7.970 -16.165 -22.581 950 HA GLU 114 HA GLU 114 -6.148 -15.752 -20.514 951 HB2 GLU 114 2HB GLU 114 -4.409 -16.436 -22.188 952 HB3 GLU 114 3HB GLU 114 -5.781 -17.527 -22.057 953 HG2 GLU 114 2HG GLU 114 -6.746 -16.590 -24.087 954 HG3 GLU 114 3HG GLU 114 -5.409 -15.450 -24.206 955 H LEU 115 H LEU 115 -6.614 -13.794 -23.466 956 HA LEU 115 HA LEU 115 -4.440 -12.029 -22.960 957 HG LEU 115 HG LEU 115 -5.320 -11.476 -26.509 958 HB2 LEU 115 2HB LEU 115 -6.907 -11.857 -24.660 959 HB3 LEU 115 3HB LEU 115 -5.920 -10.428 -24.422 960 HD11 LEU 115 1HD1 LEU 115 -3.519 -10.421 -25.248 961 HD12 LEU 115 2HD1 LEU 115 -2.921 -11.794 -26.178 962 HD13 LEU 115 3HD1 LEU 115 -3.172 -11.949 -24.438 963 HD21 LEU 115 3HD2 LEU 115 -4.673 -13.964 -24.928 964 HD22 LEU 115 1HD2 LEU 115 -4.430 -13.730 -26.659 965 HD23 LEU 115 2HD2 LEU 115 -6.063 -13.759 -25.994 966 H ALA 116 H ALA 116 -7.868 -11.937 -22.073 967 HA ALA 116 HA ALA 116 -7.854 -9.430 -20.784 968 HB1 ALA 116 3HB ALA 116 -9.909 -10.160 -19.706 969 HB2 ALA 116 1HB ALA 116 -9.580 -11.831 -20.168 970 HB3 ALA 116 2HB ALA 116 -9.909 -10.621 -21.408 971 H LYS 117 H LYS 117 -7.009 -12.663 -19.647 972 HA LYS 117 HA LYS 117 -6.676 -12.014 -16.903 973 HB2 LYS 117 2HB LYS 117 -5.461 -14.215 -18.574 974 HB3 LYS 117 3HB LYS 117 -5.257 -14.077 -16.830 975 HG2 LYS 117 2HG LYS 117 -7.861 -14.012 -16.800 976 HG3 LYS 117 3HG LYS 117 -7.716 -14.729 -18.405 977 HD2 LYS 117 2HD LYS 117 -7.976 -16.445 -16.680 978 HD3 LYS 117 3HD LYS 117 -6.402 -16.572 -17.473 979 HE2 LYS 117 2HE LYS 117 -6.614 -14.929 -14.990 980 HE3 LYS 117 3HE LYS 117 -6.644 -16.674 -14.834 981 HZ1 LYS 117 3HZ LYS 117 -4.531 -16.679 -16.165 982 HZ2 LYS 117 1HZ LYS 117 -4.408 -16.004 -14.621 983 HZ3 LYS 117 2HZ LYS 117 -4.481 -15.001 -15.978 984 H ALA 118 H ALA 118 -4.318 -12.211 -19.580 985 HA ALA 118 HA ALA 118 -1.995 -11.593 -18.195 986 HB1 ALA 118 3HB ALA 118 -1.078 -10.858 -20.333 987 HB2 ALA 118 1HB ALA 118 -2.705 -10.758 -21.009 988 HB3 ALA 118 2HB ALA 118 -2.041 -12.322 -20.536 989 H ALA 119 H ALA 119 -4.526 -9.446 -19.339 990 HA ALA 119 HA ALA 119 -3.107 -7.038 -18.585 991 HB1 ALA 119 3HB ALA 119 -5.140 -5.873 -19.259 992 HB2 ALA 119 1HB ALA 119 -5.990 -7.411 -19.407 993 HB3 ALA 119 2HB ALA 119 -4.651 -7.035 -20.492 994 H GLU 120 H GLU 120 -6.033 -8.733 -17.411 995 HA GLU 120 HA GLU 120 -6.691 -6.972 -15.354 996 HB2 GLU 120 2HB GLU 120 -8.157 -8.786 -16.289 997 HB3 GLU 120 3HB GLU 120 -7.226 -9.951 -15.361 998 HG2 GLU 120 2HG GLU 120 -9.148 -9.544 -14.087 999 HG3 GLU 120 3HG GLU 120 -7.873 -8.620 -13.297 1000 H GLU 121 H GLU 121 -4.716 -9.956 -15.162 1001 HA GLU 121 HA GLU 121 -4.289 -9.999 -12.408 1002 HB2 GLU 121 2HB GLU 121 -2.475 -10.888 -14.664 1003 HB3 GLU 121 3HB GLU 121 -2.149 -11.233 -12.970 1004 HG2 GLU 121 2HG GLU 121 -4.216 -12.505 -12.804 1005 HG3 GLU 121 3HG GLU 121 -4.612 -12.115 -14.475 1006 H GLU 122 H GLU 122 -2.678 -8.086 -14.883 1007 HA GLU 122 HA GLU 122 -0.730 -6.955 -13.076 1008 HB2 GLU 122 2HB GLU 122 -0.263 -7.201 -15.480 1009 HB3 GLU 122 3HB GLU 122 -1.583 -6.102 -15.857 1010 HG2 GLU 122 2HG GLU 122 -0.393 -4.299 -14.673 1011 HG3 GLU 122 3HG GLU 122 0.937 -5.409 -14.352 1012 H MET 123 H MET 123 -3.737 -5.866 -14.605 1013 HA MET 123 HA MET 123 -3.704 -3.208 -13.722 1014 HB2 MET 123 2HB MET 123 -6.035 -4.988 -14.465 1015 HB3 MET 123 3HB MET 123 -6.157 -3.249 -14.217 1016 HG2 MET 123 2HG MET 123 -4.622 -2.852 -16.057 1017 HG3 MET 123 3HG MET 123 -4.419 -4.588 -16.284 1018 HE1 MET 123 3HE MET 123 -6.926 -1.570 -16.467 1019 HE2 MET 123 1HE MET 123 -7.755 -2.704 -15.401 1020 HE3 MET 123 2HE MET 123 -8.400 -2.370 -17.009 1021 H LEU 124 H LEU 124 -5.185 -6.074 -12.203 1022 HA LEU 124 HA LEU 124 -6.307 -4.637 -10.020 1023 HG LEU 124 HG LEU 124 -7.378 -6.984 -11.845 1024 HB2 LEU 124 2HB LEU 124 -5.605 -7.565 -10.278 1025 HB3 LEU 124 3HB LEU 124 -6.517 -6.875 -8.947 1026 HD11 LEU 124 1HD1 LEU 124 -8.450 -8.357 -9.380 1027 HD12 LEU 124 2HD1 LEU 124 -7.553 -9.117 -10.694 1028 HD13 LEU 124 3HD1 LEU 124 -9.152 -8.441 -10.996 1029 HD21 LEU 124 3HD2 LEU 124 -8.119 -4.896 -10.803 1030 HD22 LEU 124 1HD2 LEU 124 -8.826 -5.807 -9.466 1031 HD23 LEU 124 2HD2 LEU 124 -9.477 -5.983 -11.097 1032 H TYR 125 H TYR 125 -3.165 -6.141 -10.552 1033 HA TYR 125 HA TYR 125 -2.255 -6.031 -7.869 1034 HD1 TYR 125 HD2 TYR 125 -0.296 -7.764 -7.191 1035 HD2 TYR 125 HD1 TYR 125 1.413 -4.959 -9.903 1036 HE1 TYR 125 HE2 TYR 125 1.760 -7.722 -5.843 1037 HE2 TYR 125 HE1 TYR 125 3.473 -4.909 -8.563 1038 HH TYR 125 HH TYR 125 4.178 -5.374 -6.242 1039 HB2 TYR 125 2HB TYR 125 -1.165 -7.425 -9.585 1040 HB3 TYR 125 3HB TYR 125 -0.648 -5.976 -10.442 1041 H LYS 126 H LYS 126 -1.697 -3.816 -10.627 1042 HA LYS 126 HA LYS 126 -0.346 -1.847 -9.086 1043 HB2 LYS 126 2HB LYS 126 -0.683 -0.374 -11.051 1044 HB3 LYS 126 3HB LYS 126 -0.042 -1.952 -11.489 1045 HG2 LYS 126 2HG LYS 126 -2.416 -2.628 -12.048 1046 HG3 LYS 126 3HG LYS 126 -2.848 -0.928 -11.869 1047 HD2 LYS 126 2HD LYS 126 -0.764 -1.997 -13.786 1048 HD3 LYS 126 3HD LYS 126 -2.422 -1.585 -14.223 1049 HE2 LYS 126 2HE LYS 126 -2.031 0.738 -13.606 1050 HE3 LYS 126 3HE LYS 126 -0.391 0.342 -13.086 1051 HZ1 LYS 126 3HZ LYS 126 -0.476 1.316 -15.317 1052 HZ2 LYS 126 1HZ LYS 126 -1.411 0.017 -15.857 1053 HZ3 LYS 126 2HZ LYS 126 0.177 -0.243 -15.336 1054 H ASP 127 H ASP 127 -3.742 -2.379 -9.847 1055 HA ASP 127 HA ASP 127 -4.771 0.059 -8.839 1056 HB2 ASP 127 2HB ASP 127 -6.056 -1.499 -10.266 1057 HB3 ASP 127 3HB ASP 127 -6.072 -2.680 -8.963 1058 H MET 128 H MET 128 -4.266 -3.117 -7.312 1059 HA MET 128 HA MET 128 -5.264 -2.508 -4.764 1060 HB2 MET 128 2HB MET 128 -4.673 -4.797 -5.672 1061 HB3 MET 128 3HB MET 128 -2.987 -4.413 -5.372 1062 HG2 MET 128 2HG MET 128 -3.458 -5.561 -3.466 1063 HG3 MET 128 3HG MET 128 -3.890 -3.938 -2.931 1064 HE1 MET 128 3HE MET 128 -6.745 -3.430 -4.335 1065 HE2 MET 128 1HE MET 128 -6.391 -3.082 -2.643 1066 HE3 MET 128 2HE MET 128 -7.815 -4.034 -3.070 1067 H GLN 129 H GLN 129 -1.950 -2.281 -6.051 1068 HA GLN 129 HA GLN 129 -0.700 -1.198 -3.774 1069 HB2 GLN 129 2HB GLN 129 0.629 -2.035 -5.598 1070 HB3 GLN 129 3HB GLN 129 -0.098 -0.901 -6.725 1071 HG2 GLN 129 2HG GLN 129 2.150 -0.214 -6.164 1072 HG3 GLN 129 3HG GLN 129 0.987 0.961 -5.553 1073 HE21 GLN 129 1HE2 GLN 129 2.438 1.746 -4.032 1074 HE22 GLN 129 2HE2 GLN 129 2.876 0.854 -2.625 1075 H LYS 130 H LYS 130 -2.386 0.353 -6.465 1076 HA LYS 130 HA LYS 130 -1.869 3.029 -5.883 1077 HB2 LYS 130 2HB LYS 130 -2.831 2.393 -7.987 1078 HB3 LYS 130 3HB LYS 130 -4.239 1.696 -7.200 1079 HG2 LYS 130 2HG LYS 130 -5.040 3.869 -6.568 1080 HG3 LYS 130 3HG LYS 130 -3.555 4.632 -7.146 1081 HD2 LYS 130 2HD LYS 130 -4.082 4.222 -9.400 1082 HD3 LYS 130 3HD LYS 130 -5.296 3.009 -8.990 1083 HE2 LYS 130 2HE LYS 130 -5.540 5.952 -8.354 1084 HE3 LYS 130 3HE LYS 130 -6.249 5.178 -9.771 1085 HZ1 LYS 130 3HZ LYS 130 -7.879 5.357 -8.032 1086 HZ2 LYS 130 1HZ LYS 130 -6.873 4.554 -6.936 1087 HZ3 LYS 130 2HZ LYS 130 -7.502 3.725 -8.265 1088 H ASP 131 H ASP 131 -4.747 1.101 -4.878 1089 HA ASP 131 HA ASP 131 -5.845 3.070 -3.194 1090 HB2 ASP 131 2HB ASP 131 -6.044 0.055 -3.066 1091 HB3 ASP 131 3HB ASP 131 -6.986 1.134 -2.041 1092 H ALA 132 H ALA 132 -3.626 0.389 -2.415 1093 HA ALA 132 HA ALA 132 -3.492 0.653 0.334 1094 HB1 ALA 132 3HB ALA 132 -1.218 -0.103 -1.502 1095 HB2 ALA 132 1HB ALA 132 -2.488 -1.193 -0.945 1096 HB3 ALA 132 2HB ALA 132 -1.354 -0.495 0.212 1097 H VAL 133 H VAL 133 -1.196 2.132 -1.997 1098 HA VAL 133 HA VAL 133 0.309 3.503 -0.064 1099 HB VAL 133 HB VAL 133 1.113 3.079 -2.355 1100 HG11 VAL 133 1HG1 VAL 133 0.434 4.565 -4.199 1101 HG12 VAL 133 2HG1 VAL 133 -0.809 5.264 -3.161 1102 HG13 VAL 133 3HG1 VAL 133 -0.899 3.563 -3.623 1103 HG21 VAL 133 3HG2 VAL 133 2.256 5.231 -2.683 1104 HG22 VAL 133 1HG2 VAL 133 2.233 4.753 -0.986 1105 HG23 VAL 133 2HG2 VAL 133 1.124 5.996 -1.566 1106 H GLN 134 H GLN 134 -2.571 4.526 -1.871 1107 HA GLN 134 HA GLN 134 -2.498 7.242 -1.011 1108 HB2 GLN 134 2HB GLN 134 -4.844 5.598 -1.996 1109 HB3 GLN 134 3HB GLN 134 -4.845 7.346 -1.796 1110 HG2 GLN 134 2HG GLN 134 -3.116 5.772 -3.698 1111 HG3 GLN 134 3HG GLN 134 -4.540 6.714 -4.125 1112 HE21 GLN 134 1HE2 GLN 134 -1.802 6.954 -5.060 1113 HE22 GLN 134 2HE2 GLN 134 -1.313 8.567 -4.710 1114 H GLN 135 H GLN 135 -3.987 4.316 0.329 1115 HA GLN 135 HA GLN 135 -5.520 5.645 2.316 1116 HB2 GLN 135 2HB GLN 135 -4.467 2.810 2.267 1117 HB3 GLN 135 3HB GLN 135 -5.597 3.428 3.465 1118 HG2 GLN 135 2HG GLN 135 -7.102 4.017 1.480 1119 HG3 GLN 135 3HG GLN 135 -6.039 2.985 0.527 1120 HE21 GLN 135 1HE2 GLN 135 -6.028 0.763 0.935 1121 HE22 GLN 135 2HE2 GLN 135 -7.285 -0.010 1.837 1122 H ILE 136 H ILE 136 -2.174 4.515 2.259 1123 HA ILE 136 HA ILE 136 -1.527 4.869 4.969 1124 HB ILE 136 HB ILE 136 0.264 5.444 2.590 1125 HG12 ILE 136 2HG1 ILE 136 -0.082 2.870 4.162 1126 HG13 ILE 136 3HG1 ILE 136 -0.698 3.157 2.537 1127 HG21 ILE 136 1HG2 ILE 136 0.975 4.788 5.455 1128 HG22 ILE 136 2HG2 ILE 136 1.130 6.368 4.685 1129 HG23 ILE 136 3HG2 ILE 136 2.119 5.017 4.131 1130 HD11 ILE 136 3HD1 ILE 136 2.207 3.119 3.344 1131 HD12 ILE 136 1HD1 ILE 136 1.589 3.409 1.716 1132 HD13 ILE 136 2HD1 ILE 136 1.340 1.844 2.487 1133 H LEU 137 H LEU 137 -0.890 7.168 2.307 1134 HA LEU 137 HA LEU 137 -0.279 9.411 3.842 1135 HG LEU 137 HG LEU 137 -1.946 11.465 1.932 1136 HB2 LEU 137 2HB LEU 137 0.167 9.346 1.476 1137 HB3 LEU 137 3HB LEU 137 -1.540 9.181 1.108 1138 HD11 LEU 137 1HD1 LEU 137 -0.151 11.585 3.588 1139 HD12 LEU 137 2HD1 LEU 137 -0.066 12.938 2.461 1140 HD13 LEU 137 3HD1 LEU 137 1.053 11.585 2.297 1141 HD21 LEU 137 3HD2 LEU 137 -1.476 11.115 -0.438 1142 HD22 LEU 137 1HD2 LEU 137 0.253 11.284 -0.134 1143 HD23 LEU 137 2HD2 LEU 137 -0.824 12.659 0.109 1144 H ARG 138 H ARG 138 -3.417 8.293 2.652 1145 HA ARG 138 HA ARG 138 -5.080 10.356 3.403 1146 HE ARG 138 HE ARG 138 -9.421 7.571 4.937 1147 HB2 ARG 138 2HB ARG 138 -5.975 8.561 2.157 1148 HB3 ARG 138 3HB ARG 138 -5.481 7.375 3.354 1149 HG2 ARG 138 2HG ARG 138 -7.168 8.255 4.913 1150 HG3 ARG 138 3HG ARG 138 -7.669 9.427 3.691 1151 HD2 ARG 138 2HD ARG 138 -8.454 7.716 2.243 1152 HD3 ARG 138 3HD ARG 138 -7.678 6.453 3.197 1153 HH11 ARG 138 1HH1 ARG 138 -9.790 6.344 1.741 1154 HH12 ARG 138 2HH1 ARG 138 -11.384 5.756 2.032 1155 HH21 ARG 138 1HH2 ARG 138 -11.467 6.824 5.304 1156 HH22 ARG 138 2HH2 ARG 138 -12.336 6.038 4.032 1157 H GLN 139 H GLN 139 -4.374 7.483 5.460 1158 HA GLN 139 HA GLN 139 -5.717 8.478 7.729 1159 HB2 GLN 139 2HB GLN 139 -3.412 6.514 7.682 1160 HB3 GLN 139 3HB GLN 139 -4.557 6.741 8.998 1161 HG2 GLN 139 2HG GLN 139 -6.377 6.024 7.459 1162 HG3 GLN 139 3HG GLN 139 -5.149 5.658 6.249 1163 HE21 GLN 139 1HE2 GLN 139 -5.559 3.475 6.183 1164 HE22 GLN 139 2HE2 GLN 139 -5.204 2.409 7.491 1165 H VAL 140 H VAL 140 -2.240 8.534 6.920 1166 HA VAL 140 HA VAL 140 -1.239 9.768 9.191 1167 HB VAL 140 HB VAL 140 -0.312 10.071 6.321 1168 HG11 VAL 140 1HG1 VAL 140 0.557 11.924 7.666 1169 HG12 VAL 140 2HG1 VAL 140 1.843 10.802 7.222 1170 HG13 VAL 140 3HG1 VAL 140 1.178 10.777 8.855 1171 HG21 VAL 140 3HG2 VAL 140 -0.280 7.776 7.132 1172 HG22 VAL 140 1HG2 VAL 140 0.635 8.270 8.557 1173 HG23 VAL 140 2HG2 VAL 140 1.365 8.385 6.955 1174 H SER 141 H SER 141 -2.593 11.322 6.294 1175 HA SER 141 HA SER 141 -2.173 13.988 7.326 1176 HG SER 141 HG SER 141 -3.811 12.018 4.749 1177 HB2 SER 141 2HB SER 141 -3.279 14.757 5.291 1178 HB3 SER 141 3HB SER 141 -2.092 13.518 4.893 1179 H ALA 142 H ALA 142 -4.745 11.652 7.421 1180 HA ALA 142 HA ALA 142 -6.858 13.533 7.958 1181 HB1 ALA 142 3HB ALA 142 -7.326 11.416 6.850 1182 HB2 ALA 142 1HB ALA 142 -8.243 11.558 8.348 1183 HB3 ALA 142 2HB ALA 142 -6.808 10.533 8.286 1184 H PHE 143 H PHE 143 -4.565 11.783 9.919 1185 HA PHE 143 HA PHE 143 -5.882 11.544 12.329 1186 HD1 PHE 143 HD1 PHE 143 -5.010 10.271 14.309 1187 HD2 PHE 143 HD2 PHE 143 -2.553 9.633 10.892 1188 HE1 PHE 143 HE1 PHE 143 -5.068 7.845 14.726 1189 HE2 PHE 143 HE2 PHE 143 -2.609 7.205 11.301 1190 HZ PHE 143 HZ PHE 143 -3.868 6.308 13.222 1191 HB2 PHE 143 2HB PHE 143 -3.027 11.809 11.559 1192 HB3 PHE 143 3HB PHE 143 -3.408 12.077 13.257 1193 H THR 144 H THR 144 -4.676 14.513 10.923 1194 HA THR 144 HA THR 144 -4.645 16.067 13.291 1195 HB THR 144 HB THR 144 -3.545 16.880 11.269 1196 HG1 THR 144 HG1 THR 144 -4.807 19.044 11.233 1197 HG21 THR 144 3HG2 THR 144 -5.108 16.040 9.588 1198 HG22 THR 144 1HG2 THR 144 -4.846 17.772 9.382 1199 HG23 THR 144 2HG2 THR 144 -6.331 17.188 10.132 1200 H SER 145 H SER 145 -7.222 15.194 11.074 1201 HA SER 145 HA SER 145 -9.168 16.693 12.727 1202 HG SER 145 HG SER 145 -8.582 17.639 9.371 1203 HB2 SER 145 2HB SER 145 -9.447 15.801 9.837 1204 HB3 SER 145 3HB SER 145 -10.655 16.695 10.759 1205 H ALA 146 H ALA 146 -8.075 14.006 13.260 1206 HA ALA 146 HA ALA 146 -10.065 12.070 12.498 1207 HB1 ALA 146 3HB ALA 146 -8.752 10.492 13.793 1208 HB2 ALA 146 1HB ALA 146 -7.811 11.815 14.486 1209 HB3 ALA 146 2HB ALA 146 -7.704 11.465 12.761 1210 H GLY 147 H GLY 147 -11.117 14.311 14.064 1211 HA2 GLY 147 2HA GLY 147 -11.451 13.736 16.787 1212 HA3 GLY 147 3HA GLY 147 -12.508 14.756 15.831 1213 H LEU 148 H LEU 148 -13.444 12.726 14.019 1214 HA LEU 148 HA LEU 148 -15.448 11.581 15.784 1215 HG LEU 148 HG LEU 148 -14.181 12.021 12.337 1216 HB2 LEU 148 2HB LEU 148 -16.643 10.991 13.709 1217 HB3 LEU 148 3HB LEU 148 -16.251 12.693 13.829 1218 HD11 LEU 148 1HD1 LEU 148 -16.151 9.831 11.678 1219 HD12 LEU 148 2HD1 LEU 148 -14.553 9.620 12.392 1220 HD13 LEU 148 3HD1 LEU 148 -14.706 10.232 10.746 1221 HD21 LEU 148 3HD2 LEU 148 -16.984 12.259 11.241 1222 HD22 LEU 148 1HD2 LEU 148 -15.496 12.531 10.331 1223 HD23 LEU 148 2HD2 LEU 148 -15.916 13.593 11.675 1224 H GLU 149 H GLU 149 -12.533 10.473 14.530 1225 HA GLU 149 HA GLU 149 -13.366 7.658 14.839 1226 HB2 GLU 149 2HB GLU 149 -10.866 8.840 13.607 1227 HB3 GLU 149 3HB GLU 149 -11.162 7.115 13.794 1228 HG2 GLU 149 2HG GLU 149 -13.099 7.260 12.337 1229 HG3 GLU 149 3HG GLU 149 -12.890 9.003 12.200 1230 H HIS 150 H HIS 150 -11.528 10.181 16.292 1231 HA HIS 150 HA HIS 150 -9.958 8.594 18.067 1232 HD1 HIS 150 HD1 HIS 150 -11.373 11.486 20.703 1233 HD2 HIS 150 HD2 HIS 150 -7.456 10.499 19.725 1234 HE1 HIS 150 HE1 HIS 150 -10.072 11.694 22.839 1235 HE2 HIS 150 HE2 HIS 150 -7.740 10.970 22.250 1236 HB2 HIS 150 2HB HIS 150 -9.258 10.846 17.648 1237 HB3 HIS 150 3HB HIS 150 -10.825 11.492 18.117 1238 H HIS 151 H HIS 151 -11.106 7.121 19.284 1239 HA HIS 151 HA HIS 151 -13.608 7.574 20.486 1240 HD1 HIS 151 HD1 HIS 151 -11.144 4.060 19.386 1241 HD2 HIS 151 HD2 HIS 151 -15.085 5.291 19.844 1242 HE1 HIS 151 HE1 HIS 151 -12.449 2.785 17.663 1243 HE2 HIS 151 HE2 HIS 151 -14.843 3.470 18.023 1244 HB2 HIS 151 2HB HIS 151 -11.390 5.662 21.260 1245 HB3 HIS 151 3HB HIS 151 -12.994 5.648 21.989 1246 H HIS 152 H HIS 152 -14.133 7.863 22.742 1247 HA HIS 152 HA HIS 152 -12.904 10.242 23.671 1248 HD1 HIS 152 HD1 HIS 152 -15.196 11.997 23.601 1249 HD2 HIS 152 HD2 HIS 152 -16.833 8.215 23.082 1250 HE1 HIS 152 HE1 HIS 152 -17.054 12.289 21.941 1251 HE2 HIS 152 HE2 HIS 152 -17.909 9.966 21.518 1252 HB2 HIS 152 2HB HIS 152 -14.958 8.510 25.058 1253 HB3 HIS 152 3HB HIS 152 -14.567 10.177 25.466 1254 H HIS 153 H HIS 153 -12.681 6.890 24.782 1255 HA HIS 153 HA HIS 153 -10.273 7.491 26.249 1256 HD1 HIS 153 HD1 HIS 153 -9.423 8.058 28.916 1257 HD2 HIS 153 HD2 HIS 153 -11.782 4.684 29.485 1258 HE1 HIS 153 HE1 HIS 153 -8.315 6.764 30.758 1259 HE2 HIS 153 HE2 HIS 153 -9.882 4.854 31.227 1260 HB2 HIS 153 2HB HIS 153 -11.953 8.139 27.912 1261 HB3 HIS 153 3HB HIS 153 -12.729 6.567 27.764 1262 H HIS 154 H HIS 154 -8.964 5.729 26.462 1263 HA HIS 154 HA HIS 154 -10.027 3.030 26.338 1264 HD1 HIS 154 HD1 HIS 154 -8.678 5.464 22.666 1265 HD2 HIS 154 HD2 HIS 154 -5.919 3.320 24.919 1266 HE1 HIS 154 HE1 HIS 154 -6.432 6.407 22.066 1267 HE2 HIS 154 HE2 HIS 154 -4.773 4.992 23.317 1268 HB2 HIS 154 2HB HIS 154 -8.678 2.316 24.430 1269 HB3 HIS 154 3HB HIS 154 -9.757 3.615 23.939 1270 H HIS 155 H HIS 155 -7.825 1.520 26.115 1271 HA HIS 155 HA HIS 155 -5.622 2.711 27.620 1272 HD1 HIS 155 HD1 HIS 155 -9.152 1.320 29.637 1273 HD2 HIS 155 HD2 HIS 155 -6.944 -1.672 27.793 1274 HE1 HIS 155 HE1 HIS 155 -10.741 -0.593 29.332 1275 HE2 HIS 155 HE2 HIS 155 -9.340 -2.443 28.374 1276 HB2 HIS 155 2HB HIS 155 -5.624 0.581 29.119 1277 HB3 HIS 155 3HB HIS 155 -6.730 1.895 29.497 Start of MODEL 20 1 HA MET 1 HA MET 1 9.573 31.976 -6.952 2 H1 MET 1 1H MET 1 7.966 34.301 -6.054 3 H2 MET 1 2H MET 1 8.963 34.269 -7.416 4 H3 MET 1 3H MET 1 9.636 34.106 -5.876 5 HB2 MET 1 2HB MET 1 9.237 32.082 -4.516 6 HB3 MET 1 3HB MET 1 7.502 32.235 -4.752 7 HG2 MET 1 2HG MET 1 7.431 30.000 -5.732 8 HG3 MET 1 3HG MET 1 9.176 29.850 -5.527 9 HE1 MET 1 3HE MET 1 8.819 27.541 -4.197 10 HE2 MET 1 1HE MET 1 7.077 27.706 -4.438 11 HE3 MET 1 2HE MET 1 7.721 27.381 -2.828 12 H GLY 2 H GLY 2 6.192 33.039 -6.380 13 HA2 GLY 2 2HA GLY 2 5.148 32.790 -8.885 14 HA3 GLY 2 3HA GLY 2 5.166 31.135 -8.296 15 H PHE 3 H PHE 3 2.760 31.717 -8.821 16 HA PHE 3 HA PHE 3 1.368 33.226 -6.796 17 HD1 PHE 3 HD2 PHE 3 1.809 32.571 -10.641 18 HD2 PHE 3 HD1 PHE 3 -0.986 34.708 -8.231 19 HE1 PHE 3 HE2 PHE 3 1.988 34.506 -12.149 20 HE2 PHE 3 HE1 PHE 3 -0.806 36.644 -9.741 21 HZ PHE 3 HZ PHE 3 0.680 36.546 -11.700 22 HB2 PHE 3 2HB PHE 3 0.360 31.418 -9.006 23 HB3 PHE 3 3HB PHE 3 -0.687 32.347 -7.938 24 H LYS 4 H LYS 4 0.715 32.505 -4.856 25 HA LYS 4 HA LYS 4 1.193 29.740 -4.149 26 HB2 LYS 4 2HB LYS 4 0.203 32.057 -2.474 27 HB3 LYS 4 3HB LYS 4 0.597 30.461 -1.850 28 HG2 LYS 4 2HG LYS 4 2.922 30.763 -2.630 29 HG3 LYS 4 3HG LYS 4 2.505 32.395 -3.158 30 HD2 LYS 4 2HD LYS 4 1.911 32.986 -0.850 31 HD3 LYS 4 3HD LYS 4 2.325 31.354 -0.323 32 HE2 LYS 4 2HE LYS 4 4.640 31.717 -1.059 33 HE3 LYS 4 3HE LYS 4 4.219 33.356 -1.556 34 HZ1 LYS 4 3HZ LYS 4 5.252 33.363 0.608 35 HZ2 LYS 4 1HZ LYS 4 4.094 32.287 1.210 36 HZ3 LYS 4 2HZ LYS 4 3.636 33.848 0.749 37 H LEU 5 H LEU 5 -0.417 28.613 -5.310 38 HA LEU 5 HA LEU 5 -3.152 28.861 -4.228 39 HG LEU 5 HG LEU 5 -3.857 28.783 -7.892 40 HB2 LEU 5 2HB LEU 5 -2.093 27.490 -6.707 41 HB3 LEU 5 3HB LEU 5 -3.713 27.213 -6.101 42 HD11 LEU 5 1HD1 LEU 5 -5.337 29.204 -6.000 43 HD12 LEU 5 2HD1 LEU 5 -4.892 30.701 -6.818 44 HD13 LEU 5 3HD1 LEU 5 -4.130 30.275 -5.285 45 HD21 LEU 5 3HD2 LEU 5 -1.541 29.559 -7.904 46 HD22 LEU 5 1HD2 LEU 5 -1.835 30.487 -6.433 47 HD23 LEU 5 2HD2 LEU 5 -2.671 30.911 -7.928 48 H ARG 6 H ARG 6 -4.215 26.454 -4.293 49 HA ARG 6 HA ARG 6 -2.992 24.994 -2.202 50 HE ARG 6 HE ARG 6 -5.802 21.462 -4.111 51 HB2 ARG 6 2HB ARG 6 -5.450 24.979 -2.772 52 HB3 ARG 6 3HB ARG 6 -5.069 23.946 -4.144 53 HG2 ARG 6 2HG ARG 6 -4.142 22.264 -2.578 54 HG3 ARG 6 3HG ARG 6 -4.627 23.292 -1.229 55 HD2 ARG 6 2HD ARG 6 -6.302 21.613 -1.500 56 HD3 ARG 6 3HD ARG 6 -6.984 23.140 -2.060 57 HH11 ARG 6 1HH1 ARG 6 -8.668 22.385 -2.450 58 HH12 ARG 6 2HH1 ARG 6 -9.713 21.765 -3.674 59 HH21 ARG 6 1HH2 ARG 6 -7.145 20.663 -5.675 60 HH22 ARG 6 2HH2 ARG 6 -8.859 20.810 -5.492 61 H GLY 7 H GLY 7 -3.460 24.068 -5.632 62 HA2 GLY 7 2HA GLY 7 -1.984 23.018 -7.082 63 HA3 GLY 7 3HA GLY 7 -0.786 22.983 -5.803 64 H GLN 8 H GLN 8 -1.827 21.500 -3.874 65 HA GLN 8 HA GLN 8 -1.938 18.854 -5.103 66 HB2 GLN 8 2HB GLN 8 -1.675 18.274 -2.490 67 HB3 GLN 8 3HB GLN 8 -0.314 18.649 -3.531 68 HG2 GLN 8 2HG GLN 8 0.023 19.866 -1.548 69 HG3 GLN 8 3HG GLN 8 -0.505 21.039 -2.747 70 HE21 GLN 8 1HE2 GLN 8 -0.585 21.217 0.143 71 HE22 GLN 8 2HE2 GLN 8 -2.236 21.469 0.571 72 H VAL 9 H VAL 9 -3.143 17.263 -3.294 73 HA VAL 9 HA VAL 9 -5.950 18.111 -3.469 74 HB VAL 9 HB VAL 9 -5.326 15.940 -4.482 75 HG11 VAL 9 1HG1 VAL 9 -4.785 14.020 -3.039 76 HG12 VAL 9 2HG1 VAL 9 -4.697 15.103 -1.648 77 HG13 VAL 9 3HG1 VAL 9 -3.545 15.274 -2.973 78 HG21 VAL 9 3HG2 VAL 9 -7.146 14.610 -3.520 79 HG22 VAL 9 1HG2 VAL 9 -7.624 16.297 -3.711 80 HG23 VAL 9 2HG2 VAL 9 -7.194 15.677 -2.117 81 H SER 10 H SER 10 -3.490 17.371 -1.099 82 HA SER 10 HA SER 10 -5.257 18.239 1.043 83 HG SER 10 HG SER 10 -5.154 15.406 3.145 84 HB2 SER 10 2HB SER 10 -5.667 15.815 1.000 85 HB3 SER 10 3HB SER 10 -3.935 15.511 1.126 86 H GLU 11 H GLU 11 -3.993 18.216 3.206 87 HA GLU 11 HA GLU 11 -1.131 18.647 2.879 88 HB2 GLU 11 2HB GLU 11 -1.216 20.927 3.831 89 HB3 GLU 11 3HB GLU 11 -2.022 20.822 2.272 90 HG2 GLU 11 2HG GLU 11 -4.199 20.644 3.502 91 HG3 GLU 11 3HG GLU 11 -3.313 20.978 4.990 92 H LEU 12 H LEU 12 0.033 18.641 4.824 93 HA LEU 12 HA LEU 12 -1.475 17.928 7.244 94 HG LEU 12 HG LEU 12 0.026 16.161 4.597 95 HB2 LEU 12 2HB LEU 12 0.732 16.365 7.535 96 HB3 LEU 12 3HB LEU 12 -0.806 15.807 6.911 97 HD11 LEU 12 1HD1 LEU 12 2.392 16.514 4.182 98 HD12 LEU 12 2HD1 LEU 12 2.683 16.718 5.912 99 HD13 LEU 12 3HD1 LEU 12 1.691 17.888 5.038 100 HD21 LEU 12 3HD2 LEU 12 1.749 14.350 6.292 101 HD22 LEU 12 1HD2 LEU 12 1.506 14.225 4.548 102 HD23 LEU 12 2HD2 LEU 12 0.153 13.959 5.646 103 HA PRO 13 HA PRO 13 0.969 20.944 9.265 104 HB2 PRO 13 2HB PRO 13 0.975 20.067 11.828 105 HB3 PRO 13 3HB PRO 13 -0.483 20.670 11.028 106 HG2 PRO 13 2HG PRO 13 0.414 17.832 11.433 107 HG3 PRO 13 3HG PRO 13 -1.190 18.543 11.704 108 HD2 PRO 13 2HD PRO 13 -0.595 17.149 9.466 109 HD3 PRO 13 3HD PRO 13 -1.719 18.525 9.451 110 H PHE 14 H PHE 14 2.480 18.338 8.296 111 HA PHE 14 HA PHE 14 5.000 19.163 9.491 112 HD1 PHE 14 HD1 PHE 14 2.195 16.812 11.037 113 HD2 PHE 14 HD2 PHE 14 4.911 14.885 8.382 114 HE1 PHE 14 HE1 PHE 14 0.575 14.989 10.705 115 HE2 PHE 14 HE2 PHE 14 3.293 13.064 8.044 116 HZ PHE 14 HZ PHE 14 1.124 13.115 9.207 117 HB2 PHE 14 2HB PHE 14 5.654 16.689 9.771 118 HB3 PHE 14 3HB PHE 14 4.601 17.398 10.985 119 H GLU 15 H GLU 15 5.742 19.966 7.593 120 HA GLU 15 HA GLU 15 5.412 18.732 5.067 121 HB2 GLU 15 2HB GLU 15 7.105 20.398 4.292 122 HB3 GLU 15 3HB GLU 15 5.755 21.099 5.174 123 HG2 GLU 15 2HG GLU 15 7.114 21.358 7.151 124 HG3 GLU 15 3HG GLU 15 8.455 20.510 6.383 125 H ARG 16 H ARG 16 8.257 18.885 7.222 126 HA ARG 16 HA ARG 16 9.810 17.234 5.431 127 HE ARG 16 HE ARG 16 13.027 19.462 4.168 128 HB2 ARG 16 2HB ARG 16 10.341 18.911 7.758 129 HB3 ARG 16 3HB ARG 16 11.206 17.384 7.851 130 HG2 ARG 16 2HG ARG 16 12.559 19.112 6.799 131 HG3 ARG 16 3HG ARG 16 12.219 17.793 5.680 132 HD2 ARG 16 2HD ARG 16 10.313 19.214 4.790 133 HD3 ARG 16 3HD ARG 16 10.981 20.543 5.738 134 HH11 ARG 16 1HH1 ARG 16 10.136 21.322 3.810 135 HH12 ARG 16 2HH1 ARG 16 10.645 21.994 2.298 136 HH21 ARG 16 1HH2 ARG 16 13.644 20.333 2.233 137 HH22 ARG 16 2HH2 ARG 16 12.598 21.448 1.423 138 H VAL 17 H VAL 17 9.421 15.121 5.306 139 HA VAL 17 HA VAL 17 9.052 13.601 7.819 140 HB VAL 17 HB VAL 17 7.696 11.960 6.571 141 HG11 VAL 17 1HG1 VAL 17 6.564 13.721 7.813 142 HG12 VAL 17 2HG1 VAL 17 5.660 13.323 6.352 143 HG13 VAL 17 3HG1 VAL 17 6.641 14.788 6.409 144 HG21 VAL 17 3HG2 VAL 17 8.573 12.316 4.325 145 HG22 VAL 17 1HG2 VAL 17 7.872 13.937 4.288 146 HG23 VAL 17 2HG2 VAL 17 6.821 12.520 4.336 147 H TYR 18 H TYR 18 9.857 11.404 7.802 148 HA TYR 18 HA TYR 18 11.790 10.745 5.693 149 HD1 TYR 18 HD1 TYR 18 14.462 10.684 5.526 150 HD2 TYR 18 HD2 TYR 18 13.482 8.748 9.192 151 HE1 TYR 18 HE1 TYR 18 16.242 9.041 5.132 152 HE2 TYR 18 HE2 TYR 18 15.267 7.103 8.804 153 HH TYR 18 HH TYR 18 16.506 6.163 6.846 154 HB2 TYR 18 2HB TYR 18 13.130 11.828 7.412 155 HB3 TYR 18 3HB TYR 18 12.437 10.790 8.655 156 H ILE 19 H ILE 19 11.567 8.690 5.049 157 HA ILE 19 HA ILE 19 9.961 6.859 6.666 158 HB ILE 19 HB ILE 19 9.373 7.148 4.299 159 HG12 ILE 19 2HG1 ILE 19 10.431 4.363 4.884 160 HG13 ILE 19 3HG1 ILE 19 8.889 5.000 5.446 161 HG21 ILE 19 1HG2 ILE 19 12.089 5.954 3.729 162 HG22 ILE 19 2HG2 ILE 19 11.582 7.612 3.394 163 HG23 ILE 19 3HG2 ILE 19 10.836 6.268 2.528 164 HD11 ILE 19 3HD1 ILE 19 8.582 3.557 3.536 165 HD12 ILE 19 1HD1 ILE 19 9.684 4.545 2.580 166 HD13 ILE 19 2HD1 ILE 19 8.147 5.215 3.124 167 H THR 20 H THR 20 10.614 4.786 7.267 168 HA THR 20 HA THR 20 13.340 3.909 6.626 169 HB THR 20 HB THR 20 13.706 4.880 8.776 170 HG1 THR 20 HG1 THR 20 14.227 2.970 10.008 171 HG21 THR 20 3HG2 THR 20 12.410 4.309 10.765 172 HG22 THR 20 1HG2 THR 20 11.351 3.285 9.798 173 HG23 THR 20 2HG2 THR 20 11.376 5.029 9.531 174 H ALA 21 H ALA 21 13.367 1.856 5.974 175 HA ALA 21 HA ALA 21 11.064 0.118 6.628 176 HB1 ALA 21 3HB ALA 21 12.484 0.318 3.964 177 HB2 ALA 21 1HB ALA 21 10.881 0.957 4.335 178 HB3 ALA 21 2HB ALA 21 11.161 -0.785 4.351 179 HA PRO 22 HA PRO 22 14.131 -2.936 7.748 180 HB2 PRO 22 2HB PRO 22 12.651 -5.177 7.702 181 HB3 PRO 22 3HB PRO 22 12.360 -3.904 8.895 182 HG2 PRO 22 2HG PRO 22 10.908 -4.458 6.323 183 HG3 PRO 22 3HG PRO 22 10.237 -4.095 7.925 184 HD2 PRO 22 2HD PRO 22 10.507 -2.223 5.954 185 HD3 PRO 22 3HD PRO 22 10.568 -1.830 7.684 186 H ALA 23 H ALA 23 12.534 -3.030 4.683 187 HA ALA 23 HA ALA 23 14.745 -4.478 3.472 188 HB1 ALA 23 3HB ALA 23 13.237 -6.282 4.150 189 HB2 ALA 23 1HB ALA 23 13.314 -6.147 2.393 190 HB3 ALA 23 2HB ALA 23 11.916 -5.520 3.266 191 H GLY 24 H GLY 24 14.455 -4.583 1.022 192 HA2 GLY 24 2HA GLY 24 13.746 -1.990 0.037 193 HA3 GLY 24 3HA GLY 24 14.290 -3.355 -0.930 194 H LEU 25 H LEU 25 11.488 -1.992 0.727 195 HA LEU 25 HA LEU 25 9.671 -3.655 -0.873 196 HG LEU 25 HG LEU 25 10.459 -3.868 2.136 197 HB2 LEU 25 2HB LEU 25 9.101 -1.868 1.498 198 HB3 LEU 25 3HB LEU 25 7.950 -2.939 0.721 199 HD11 LEU 25 1HD1 LEU 25 8.894 -2.866 3.716 200 HD12 LEU 25 2HD1 LEU 25 8.981 -4.613 3.928 201 HD13 LEU 25 3HD1 LEU 25 7.598 -3.892 3.101 202 HD21 LEU 25 3HD2 LEU 25 8.090 -5.402 1.058 203 HD22 LEU 25 1HD2 LEU 25 9.426 -6.089 1.985 204 HD23 LEU 25 2HD2 LEU 25 9.722 -5.397 0.389 205 H THR 26 H THR 26 8.666 -2.838 -2.596 206 HA THR 26 HA THR 26 9.023 -0.308 -3.672 207 HB THR 26 HB THR 26 7.083 -0.783 -5.134 208 HG1 THR 26 HG1 THR 26 5.792 -2.558 -4.753 209 HG21 THR 26 3HG2 THR 26 8.835 -3.208 -4.675 210 HG22 THR 26 1HG2 THR 26 9.264 -1.802 -5.651 211 HG23 THR 26 2HG2 THR 26 7.931 -2.845 -6.143 212 H ILE 27 H ILE 27 6.535 -1.425 -1.454 213 HA ILE 27 HA ILE 27 4.624 0.518 -1.529 214 HB ILE 27 HB ILE 27 4.579 -1.453 -0.028 215 HG12 ILE 27 2HG1 ILE 27 3.523 -0.285 1.945 216 HG13 ILE 27 3HG1 ILE 27 4.084 1.239 1.271 217 HG21 ILE 27 1HG2 ILE 27 6.484 0.141 1.695 218 HG22 ILE 27 2HG2 ILE 27 6.835 -1.371 0.860 219 HG23 ILE 27 3HG2 ILE 27 5.667 -1.345 2.180 220 HD11 ILE 27 3HD1 ILE 27 1.753 0.851 0.741 221 HD12 ILE 27 1HD1 ILE 27 2.164 -0.677 -0.039 222 HD13 ILE 27 2HD1 ILE 27 2.729 0.847 -0.728 223 H GLY 28 H GLY 28 7.826 0.800 -0.040 224 HA2 GLY 28 2HA GLY 28 7.344 3.313 1.235 225 HA3 GLY 28 3HA GLY 28 8.912 2.579 0.945 226 H SER 29 H SER 29 8.751 2.404 -1.892 227 HA SER 29 HA SER 29 9.697 4.983 -2.592 228 HG SER 29 HG SER 29 9.390 4.268 -5.856 229 HB2 SER 29 2HB SER 29 10.440 2.880 -3.712 230 HB3 SER 29 3HB SER 29 8.855 2.753 -4.474 231 H ASP 30 H ASP 30 6.724 3.248 -3.547 232 HA ASP 30 HA ASP 30 5.472 5.294 -4.957 233 HB2 ASP 30 2HB ASP 30 4.361 3.042 -3.277 234 HB3 ASP 30 3HB ASP 30 3.312 4.153 -4.152 235 H LEU 31 H LEU 31 5.209 4.547 -1.479 236 HA LEU 31 HA LEU 31 3.293 6.421 -0.782 237 HG LEU 31 HG LEU 31 4.590 7.290 2.035 238 HB2 LEU 31 2HB LEU 31 4.003 4.634 0.702 239 HB3 LEU 31 3HB LEU 31 5.589 5.366 0.874 240 HD11 LEU 31 1HD1 LEU 31 2.238 7.267 2.697 241 HD12 LEU 31 2HD1 LEU 31 1.980 5.792 1.767 242 HD13 LEU 31 3HD1 LEU 31 2.404 7.291 0.943 243 HD21 LEU 31 3HD2 LEU 31 5.362 5.408 3.366 244 HD22 LEU 31 1HD2 LEU 31 3.795 4.617 3.199 245 HD23 LEU 31 2HD2 LEU 31 3.931 6.129 4.101 246 H GLU 32 H GLU 32 6.793 6.857 -0.137 247 HA GLU 32 HA GLU 32 6.642 9.468 0.768 248 HB2 GLU 32 2HB GLU 32 8.931 8.106 -0.664 249 HB3 GLU 32 3HB GLU 32 9.070 9.606 0.243 250 HG2 GLU 32 2HG GLU 32 8.309 6.908 1.347 251 HG3 GLU 32 3HG GLU 32 9.841 7.747 1.574 252 H ARG 33 H ARG 33 7.030 8.357 -2.579 253 HA ARG 33 HA ARG 33 7.416 10.952 -3.689 254 HE ARG 33 HE ARG 33 10.762 7.740 -5.440 255 HB2 ARG 33 2HB ARG 33 6.442 8.389 -4.975 256 HB3 ARG 33 3HB ARG 33 6.851 9.856 -5.863 257 HG2 ARG 33 2HG ARG 33 9.148 9.723 -5.029 258 HG3 ARG 33 3HG ARG 33 8.745 8.257 -4.134 259 HD2 ARG 33 2HD ARG 33 8.200 7.136 -6.268 260 HD3 ARG 33 3HD ARG 33 8.666 8.603 -7.136 261 HH11 ARG 33 1HH1 ARG 33 9.233 6.920 -8.425 262 HH12 ARG 33 2HH1 ARG 33 10.662 6.198 -9.073 263 HH21 ARG 33 1HH2 ARG 33 12.578 6.821 -6.293 264 HH22 ARG 33 2HH2 ARG 33 12.540 6.171 -7.894 265 H VAL 34 H VAL 34 4.507 8.890 -3.392 266 HA VAL 34 HA VAL 34 2.672 10.684 -4.538 267 HB VAL 34 HB VAL 34 2.236 8.582 -2.397 268 HG11 VAL 34 1HG1 VAL 34 -0.158 8.701 -2.976 269 HG12 VAL 34 2HG1 VAL 34 0.171 10.079 -4.027 270 HG13 VAL 34 3HG1 VAL 34 0.426 10.216 -2.287 271 HG21 VAL 34 3HG2 VAL 34 1.726 8.531 -5.380 272 HG22 VAL 34 1HG2 VAL 34 1.377 7.223 -4.247 273 HG23 VAL 34 2HG2 VAL 34 3.045 7.713 -4.543 274 H ILE 35 H ILE 35 3.892 10.452 -1.218 275 HA ILE 35 HA ILE 35 2.219 12.369 -0.009 276 HB ILE 35 HB ILE 35 5.087 11.620 0.622 277 HG12 ILE 35 2HG1 ILE 35 2.459 10.773 1.882 278 HG13 ILE 35 3HG1 ILE 35 3.465 9.781 0.832 279 HG21 ILE 35 1HG2 ILE 35 3.157 13.225 2.307 280 HG22 ILE 35 2HG2 ILE 35 4.614 13.837 1.520 281 HG23 ILE 35 3HG2 ILE 35 4.746 12.651 2.819 282 HD11 ILE 35 3HD1 ILE 35 4.228 10.819 3.554 283 HD12 ILE 35 1HD1 ILE 35 5.251 9.835 2.503 284 HD13 ILE 35 2HD1 ILE 35 3.753 9.169 3.155 285 H SER 36 H SER 36 5.595 12.872 -1.103 286 HA SER 36 HA SER 36 5.560 15.648 -0.651 287 HG SER 36 HG SER 36 7.435 16.687 -1.354 288 HB2 SER 36 2HB SER 36 7.620 14.257 -0.824 289 HB3 SER 36 3HB SER 36 7.368 14.149 -2.565 290 H THR 37 H THR 37 4.207 13.890 -3.283 291 HA THR 37 HA THR 37 4.195 16.269 -5.019 292 HB THR 37 HB THR 37 3.372 14.780 -6.804 293 HG1 THR 37 HG1 THR 37 3.901 12.394 -5.723 294 HG21 THR 37 3HG2 THR 37 5.795 15.088 -6.510 295 HG22 THR 37 1HG2 THR 37 5.420 13.472 -7.107 296 HG23 THR 37 2HG2 THR 37 5.834 13.709 -5.409 297 H HIS 38 H HIS 38 2.007 14.273 -3.122 298 HA HIS 38 HA HIS 38 -0.292 15.717 -4.289 299 HD1 HIS 38 HD1 HIS 38 -2.364 13.756 -5.754 300 HD2 HIS 38 HD2 HIS 38 1.325 12.014 -4.986 301 HE1 HIS 38 HE1 HIS 38 -1.767 12.498 -7.842 302 HE2 HIS 38 HE2 HIS 38 0.574 11.682 -7.434 303 HB2 HIS 38 2HB HIS 38 -0.203 13.076 -2.821 304 HB3 HIS 38 3HB HIS 38 -1.690 13.886 -3.304 305 H THR 39 H THR 39 1.633 15.847 -1.574 306 HA THR 39 HA THR 39 -0.441 17.432 -0.199 307 HB THR 39 HB THR 39 0.433 16.752 2.019 308 HG1 THR 39 HG1 THR 39 1.936 14.889 0.496 309 HG21 THR 39 3HG2 THR 39 -1.564 15.653 1.142 310 HG22 THR 39 1HG2 THR 39 -0.604 14.546 2.125 311 HG23 THR 39 2HG2 THR 39 -0.554 14.432 0.364 312 H ARG 40 H ARG 40 0.565 18.930 1.471 313 HA ARG 40 HA ARG 40 2.746 20.373 0.263 314 HE ARG 40 HE ARG 40 0.558 24.183 1.724 315 HB2 ARG 40 2HB ARG 40 0.752 21.373 1.532 316 HB3 ARG 40 3HB ARG 40 1.564 20.867 3.006 317 HG2 ARG 40 2HG ARG 40 2.295 23.030 2.867 318 HG3 ARG 40 3HG ARG 40 3.584 22.224 1.972 319 HD2 ARG 40 2HD ARG 40 2.942 24.132 0.698 320 HD3 ARG 40 3HD ARG 40 2.284 22.722 -0.137 321 HH11 ARG 40 1HH1 ARG 40 1.349 23.402 -1.543 322 HH12 ARG 40 2HH1 ARG 40 -0.167 23.960 -2.155 323 HH21 ARG 40 1HH2 ARG 40 -1.371 24.889 0.942 324 HH22 ARG 40 2HH2 ARG 40 -1.695 24.805 -0.754 325 H ALA 41 H ALA 41 4.135 18.270 0.516 326 HA ALA 41 HA ALA 41 5.673 18.470 3.012 327 HB1 ALA 41 3HB ALA 41 4.661 15.847 1.910 328 HB2 ALA 41 1HB ALA 41 4.024 16.676 3.329 329 HB3 ALA 41 2HB ALA 41 5.678 16.068 3.335 330 H LYS 42 H LYS 42 7.725 17.312 2.946 331 HA LYS 42 HA LYS 42 8.805 16.627 0.326 332 HB2 LYS 42 2HB LYS 42 9.281 19.037 0.572 333 HB3 LYS 42 3HB LYS 42 10.068 18.726 2.114 334 HG2 LYS 42 2HG LYS 42 11.746 19.024 0.419 335 HG3 LYS 42 3HG LYS 42 11.750 17.339 0.941 336 HD2 LYS 42 2HD LYS 42 10.351 16.779 -1.048 337 HD3 LYS 42 3HD LYS 42 10.511 18.453 -1.584 338 HE2 LYS 42 2HE LYS 42 12.739 16.447 -1.217 339 HE3 LYS 42 3HE LYS 42 12.118 17.062 -2.747 340 HZ1 LYS 42 3HZ LYS 42 14.117 18.207 -2.239 341 HZ2 LYS 42 1HZ LYS 42 13.600 18.579 -0.672 342 HZ3 LYS 42 2HZ LYS 42 12.852 19.301 -2.004 343 H VAL 43 H VAL 43 9.887 14.760 0.544 344 HA VAL 43 HA VAL 43 10.558 13.742 3.171 345 HB VAL 43 HB VAL 43 11.024 12.457 0.469 346 HG11 VAL 43 1HG1 VAL 43 12.370 11.440 2.213 347 HG12 VAL 43 2HG1 VAL 43 11.067 10.347 1.745 348 HG13 VAL 43 3HG1 VAL 43 10.949 11.269 3.245 349 HG21 VAL 43 3HG2 VAL 43 8.676 12.131 2.348 350 HG22 VAL 43 1HG2 VAL 43 8.921 11.271 0.829 351 HG23 VAL 43 2HG2 VAL 43 8.650 13.012 0.821 352 H VAL 44 H VAL 44 12.611 13.282 3.964 353 HA VAL 44 HA VAL 44 14.841 14.596 2.526 354 HB VAL 44 HB VAL 44 15.903 14.892 4.761 355 HG11 VAL 44 1HG1 VAL 44 14.480 16.743 5.491 356 HG12 VAL 44 2HG1 VAL 44 13.163 16.137 4.483 357 HG13 VAL 44 3HG1 VAL 44 14.651 16.720 3.736 358 HG21 VAL 44 3HG2 VAL 44 14.797 13.093 5.972 359 HG22 VAL 44 1HG2 VAL 44 13.241 13.905 5.802 360 HG23 VAL 44 2HG2 VAL 44 14.515 14.633 6.781 361 H ASN 45 H ASN 45 17.040 13.785 3.202 362 HA ASN 45 HA ASN 45 17.165 10.919 2.788 363 HB2 ASN 45 2HB ASN 45 18.650 12.315 1.495 364 HB3 ASN 45 3HB ASN 45 19.291 13.069 2.948 365 HD21 ASN 45 1HD2 ASN 45 19.208 10.121 1.066 366 HD22 ASN 45 2HD2 ASN 45 20.644 9.439 1.735 367 H LYS 46 H LYS 46 17.388 13.054 5.488 368 HA LYS 46 HA LYS 46 18.193 10.827 7.213 369 HB2 LYS 46 2HB LYS 46 19.822 12.168 8.436 370 HB3 LYS 46 3HB LYS 46 20.271 12.049 6.742 371 HG2 LYS 46 2HG LYS 46 18.838 14.433 7.903 372 HG3 LYS 46 3HG LYS 46 20.594 14.298 7.826 373 HD2 LYS 46 2HD LYS 46 20.452 14.080 5.371 374 HD3 LYS 46 3HD LYS 46 18.697 14.252 5.468 375 HE2 LYS 46 2HE LYS 46 19.853 16.355 4.849 376 HE3 LYS 46 3HE LYS 46 18.912 16.485 6.335 377 HZ1 LYS 46 3HZ LYS 46 21.133 17.523 6.458 378 HZ2 LYS 46 1HZ LYS 46 21.839 15.997 6.268 379 HZ3 LYS 46 2HZ LYS 46 20.887 16.330 7.626 380 H ALA 47 H ALA 47 17.405 10.900 9.311 381 HA ALA 47 HA ALA 47 14.914 12.253 9.585 382 HB1 ALA 47 3HB ALA 47 16.443 10.652 11.632 383 HB2 ALA 47 1HB ALA 47 15.298 10.001 10.458 384 HB3 ALA 47 2HB ALA 47 14.739 11.100 11.718 385 H GLU 48 H GLU 48 18.135 12.985 10.703 386 HA GLU 48 HA GLU 48 17.471 14.604 12.918 387 HB2 GLU 48 2HB GLU 48 19.753 15.424 12.818 388 HB3 GLU 48 3HB GLU 48 19.722 13.693 12.541 389 HG2 GLU 48 2HG GLU 48 21.243 14.380 10.962 390 HG3 GLU 48 3HG GLU 48 19.756 14.353 10.019 391 H LYS 49 H LYS 49 16.984 15.192 9.619 392 HA LYS 49 HA LYS 49 16.622 18.084 10.134 393 HB2 LYS 49 2HB LYS 49 18.407 17.423 8.443 394 HB3 LYS 49 3HB LYS 49 17.112 16.801 7.433 395 HG2 LYS 49 2HG LYS 49 17.798 19.015 6.706 396 HG3 LYS 49 3HG LYS 49 16.133 19.039 7.289 397 HD2 LYS 49 2HD LYS 49 17.309 20.991 8.116 398 HD3 LYS 49 3HD LYS 49 16.941 19.915 9.464 399 HE2 LYS 49 2HE LYS 49 19.261 19.029 9.326 400 HE3 LYS 49 3HE LYS 49 19.603 20.212 8.062 401 HZ1 LYS 49 3HZ LYS 49 20.349 21.010 10.198 402 HZ2 LYS 49 1HZ LYS 49 18.801 20.824 10.856 403 HZ3 LYS 49 2HZ LYS 49 19.076 21.972 9.646 404 H SER 50 H SER 50 14.761 15.720 10.482 405 HA SER 50 HA SER 50 12.596 16.624 8.677 406 HG SER 50 HG SER 50 13.503 14.045 10.793 407 HB2 SER 50 2HB SER 50 11.624 14.399 8.775 408 HB3 SER 50 3HB SER 50 13.304 14.274 8.256 409 H GLU 51 H GLU 51 10.375 16.055 9.612 410 HA GLU 51 HA GLU 51 10.238 16.982 12.401 411 HB2 GLU 51 2HB GLU 51 8.167 16.986 10.191 412 HB3 GLU 51 3HB GLU 51 7.856 17.519 11.837 413 HG2 GLU 51 2HG GLU 51 9.911 18.755 10.008 414 HG3 GLU 51 3HG GLU 51 8.271 19.363 10.221 415 H ALA 52 H ALA 52 8.737 14.620 10.191 416 HA ALA 52 HA ALA 52 8.140 12.886 12.510 417 HB1 ALA 52 3HB ALA 52 6.386 13.281 10.080 418 HB2 ALA 52 1HB ALA 52 6.077 13.929 11.691 419 HB3 ALA 52 2HB ALA 52 6.066 12.185 11.426 420 H ILE 53 H ILE 53 8.093 10.595 12.058 421 HA ILE 53 HA ILE 53 9.695 9.813 9.698 422 HB ILE 53 HB ILE 53 9.903 8.776 12.533 423 HG12 ILE 53 2HG1 ILE 53 11.907 10.168 10.730 424 HG13 ILE 53 3HG1 ILE 53 11.107 10.873 12.132 425 HG21 ILE 53 1HG2 ILE 53 11.632 7.233 11.706 426 HG22 ILE 53 2HG2 ILE 53 11.277 7.733 10.052 427 HG23 ILE 53 3HG2 ILE 53 10.052 6.891 11.002 428 HD11 ILE 53 3HD1 ILE 53 12.235 9.238 13.571 429 HD12 ILE 53 1HD1 ILE 53 13.369 10.247 12.673 430 HD13 ILE 53 2HD1 ILE 53 13.064 8.590 12.156 431 H ILE 54 H ILE 54 8.736 8.344 8.414 432 HA ILE 54 HA ILE 54 6.467 6.788 9.450 433 HB ILE 54 HB ILE 54 7.391 7.172 6.587 434 HG12 ILE 54 2HG1 ILE 54 5.055 8.394 8.096 435 HG13 ILE 54 3HG1 ILE 54 6.512 9.246 7.597 436 HG21 ILE 54 1HG2 ILE 54 5.245 6.147 5.969 437 HG22 ILE 54 2HG2 ILE 54 4.890 5.863 7.674 438 HG23 ILE 54 3HG2 ILE 54 6.246 5.037 6.905 439 HD11 ILE 54 3HD1 ILE 54 5.927 8.878 5.258 440 HD12 ILE 54 1HD1 ILE 54 4.651 9.736 6.124 441 HD13 ILE 54 2HD1 ILE 54 4.467 8.020 5.758 442 H GLN 55 H GLN 55 7.131 4.932 10.383 443 HA GLN 55 HA GLN 55 9.305 3.384 9.141 444 HB2 GLN 55 2HB GLN 55 9.530 3.905 11.548 445 HB3 GLN 55 3HB GLN 55 8.020 3.059 11.866 446 HG2 GLN 55 2HG GLN 55 9.043 0.971 11.039 447 HG3 GLN 55 3HG GLN 55 10.560 1.835 10.793 448 HE21 GLN 55 1HE2 GLN 55 8.369 0.518 13.131 449 HE22 GLN 55 2HE2 GLN 55 9.434 0.617 14.485 450 H ILE 56 H ILE 56 8.379 2.192 7.515 451 HA ILE 56 HA ILE 56 5.853 0.848 7.880 452 HB ILE 56 HB ILE 56 6.609 1.738 5.675 453 HG12 ILE 56 2HG1 ILE 56 4.890 -0.160 5.966 454 HG13 ILE 56 3HG1 ILE 56 5.569 0.086 4.364 455 HG21 ILE 56 1HG2 ILE 56 8.956 1.138 5.782 456 HG22 ILE 56 2HG2 ILE 56 8.212 0.498 4.320 457 HG23 ILE 56 3HG2 ILE 56 8.544 -0.574 5.678 458 HD11 ILE 56 3HD1 ILE 56 7.086 -1.803 4.732 459 HD12 ILE 56 1HD1 ILE 56 5.390 -2.266 4.879 460 HD13 ILE 56 2HD1 ILE 56 6.373 -2.050 6.326 461 H VAL 57 H VAL 57 5.521 -1.164 8.644 462 HA VAL 57 HA VAL 57 7.804 -2.511 9.827 463 HB VAL 57 HB VAL 57 4.880 -3.268 10.028 464 HG11 VAL 57 1HG1 VAL 57 7.256 -3.972 11.764 465 HG12 VAL 57 2HG1 VAL 57 6.397 -5.063 10.679 466 HG13 VAL 57 3HG1 VAL 57 5.580 -4.408 12.096 467 HG21 VAL 57 3HG2 VAL 57 6.522 -1.491 11.847 468 HG22 VAL 57 1HG2 VAL 57 4.869 -2.030 12.152 469 HG23 VAL 57 2HG2 VAL 57 5.214 -0.966 10.787 470 H HIS 58 H HIS 58 5.081 -3.549 7.726 471 HA HIS 58 HA HIS 58 6.759 -5.071 6.029 472 HD1 HIS 58 HD1 HIS 58 6.514 -7.243 10.007 473 HD2 HIS 58 HD2 HIS 58 3.038 -6.421 7.888 474 HE1 HIS 58 HE1 HIS 58 4.651 -7.411 11.680 475 HE2 HIS 58 HE2 HIS 58 2.551 -7.049 10.347 476 HB2 HIS 58 2HB HIS 58 5.726 -7.352 6.626 477 HB3 HIS 58 3HB HIS 58 7.002 -6.730 7.662 478 H ALA 59 H ALA 59 5.750 -5.826 4.192 479 HA ALA 59 HA ALA 59 2.854 -5.270 3.937 480 HB1 ALA 59 3HB ALA 59 4.978 -5.097 1.795 481 HB2 ALA 59 1HB ALA 59 4.241 -3.727 2.626 482 HB3 ALA 59 2HB ALA 59 3.259 -4.758 1.585 483 H ILE 60 H ILE 60 1.688 -7.101 3.769 484 HA ILE 60 HA ILE 60 3.017 -9.572 2.875 485 HB ILE 60 HB ILE 60 0.405 -9.238 4.372 486 HG12 ILE 60 2HG1 ILE 60 1.748 -10.413 6.219 487 HG13 ILE 60 3HG1 ILE 60 3.183 -10.013 5.284 488 HG21 ILE 60 1HG2 ILE 60 0.356 -11.227 2.981 489 HG22 ILE 60 2HG2 ILE 60 0.492 -11.680 4.680 490 HG23 ILE 60 3HG2 ILE 60 1.909 -11.751 3.633 491 HD11 ILE 60 3HD1 ILE 60 1.213 -8.039 6.410 492 HD12 ILE 60 1HD1 ILE 60 2.678 -7.647 5.510 493 HD13 ILE 60 2HD1 ILE 60 2.794 -8.431 7.085 494 H ARG 61 H ARG 61 2.500 -10.530 0.998 495 HA ARG 61 HA ARG 61 0.030 -9.695 -0.405 496 HE ARG 61 HE ARG 61 2.971 -11.834 -3.452 497 HB2 ARG 61 2HB ARG 61 2.046 -8.809 -1.489 498 HB3 ARG 61 3HB ARG 61 2.727 -10.427 -1.571 499 HG2 ARG 61 2HG ARG 61 0.690 -11.032 -2.992 500 HG3 ARG 61 3HG ARG 61 0.418 -9.292 -3.120 501 HD2 ARG 61 2HD ARG 61 1.699 -10.120 -5.031 502 HD3 ARG 61 3HD ARG 61 2.669 -9.011 -4.057 503 HH11 ARG 61 1HH1 ARG 61 4.211 -9.129 -5.204 504 HH12 ARG 61 2HH1 ARG 61 5.793 -9.817 -5.344 505 HH21 ARG 61 1HH2 ARG 61 4.979 -12.695 -3.657 506 HH22 ARG 61 2HH2 ARG 61 6.218 -11.819 -4.484 507 H GLU 62 H GLU 62 -1.362 -11.400 -0.111 508 HA GLU 62 HA GLU 62 -0.323 -14.122 -0.638 509 HB2 GLU 62 2HB GLU 62 -2.562 -13.354 1.244 510 HB3 GLU 62 3HB GLU 62 -1.985 -14.985 0.944 511 HG2 GLU 62 2HG GLU 62 0.176 -14.414 1.909 512 HG3 GLU 62 3HG GLU 62 -0.369 -12.757 2.170 513 H LYS 63 H LYS 63 -1.701 -15.610 -1.677 514 HA LYS 63 HA LYS 63 -4.021 -14.444 -3.101 515 HB2 LYS 63 2HB LYS 63 -2.175 -16.640 -4.069 516 HB3 LYS 63 3HB LYS 63 -3.527 -15.954 -4.957 517 HG2 LYS 63 2HG LYS 63 -2.360 -13.771 -4.985 518 HG3 LYS 63 3HG LYS 63 -0.982 -14.535 -4.186 519 HD2 LYS 63 2HD LYS 63 -0.761 -16.092 -6.088 520 HD3 LYS 63 3HD LYS 63 -2.123 -15.301 -6.881 521 HE2 LYS 63 2HE LYS 63 -0.144 -14.426 -7.859 522 HE3 LYS 63 3HE LYS 63 -0.806 -13.168 -6.819 523 HZ1 LYS 63 3HZ LYS 63 0.808 -13.746 -5.127 524 HZ2 LYS 63 1HZ LYS 63 1.598 -13.386 -6.577 525 HZ3 LYS 63 2HZ LYS 63 1.423 -14.993 -6.087 526 H ARG 64 H ARG 64 -5.899 -15.745 -3.314 527 HA ARG 64 HA ARG 64 -5.943 -18.446 -2.276 528 HE ARG 64 HE ARG 64 -9.364 -14.184 0.329 529 HB2 ARG 64 2HB ARG 64 -7.529 -18.005 -0.458 530 HB3 ARG 64 3HB ARG 64 -6.001 -17.177 -0.189 531 HG2 ARG 64 2HG ARG 64 -7.068 -15.101 -1.121 532 HG3 ARG 64 3HG ARG 64 -8.604 -15.970 -1.112 533 HD2 ARG 64 2HD ARG 64 -8.299 -16.358 1.333 534 HD3 ARG 64 3HD ARG 64 -6.858 -15.341 1.273 535 HH11 ARG 64 1HH1 ARG 64 -6.995 -14.365 2.840 536 HH12 ARG 64 2HH1 ARG 64 -7.585 -12.939 3.620 537 HH21 ARG 64 1HH2 ARG 64 -10.077 -12.379 1.329 538 HH22 ARG 64 2HH2 ARG 64 -9.300 -11.830 2.780 539 H ILE 65 H ILE 65 -8.266 -19.317 -2.210 540 HA ILE 65 HA ILE 65 -9.645 -18.434 -4.635 541 HB ILE 65 HB ILE 65 -9.730 -20.941 -2.986 542 HG12 ILE 65 2HG1 ILE 65 -8.115 -20.729 -4.846 543 HG13 ILE 65 3HG1 ILE 65 -9.289 -22.008 -5.142 544 HG21 ILE 65 1HG2 ILE 65 -12.080 -20.414 -3.290 545 HG22 ILE 65 2HG2 ILE 65 -11.632 -21.772 -4.322 546 HG23 ILE 65 3HG2 ILE 65 -11.830 -20.165 -5.020 547 HD11 ILE 65 3HD1 ILE 65 -9.347 -19.243 -6.333 548 HD12 ILE 65 1HD1 ILE 65 -10.542 -20.510 -6.621 549 HD13 ILE 65 2HD1 ILE 65 -8.874 -20.730 -7.156 550 H LEU 66 H LEU 66 -11.531 -17.387 -4.673 551 HA LEU 66 HA LEU 66 -12.939 -16.805 -2.188 552 HG LEU 66 HG LEU 66 -15.381 -15.548 -3.215 553 HB2 LEU 66 2HB LEU 66 -12.486 -15.069 -3.959 554 HB3 LEU 66 3HB LEU 66 -13.616 -15.920 -4.997 555 HD11 LEU 66 1HD1 LEU 66 -14.975 -13.736 -1.611 556 HD12 LEU 66 2HD1 LEU 66 -13.289 -13.660 -2.128 557 HD13 LEU 66 3HD1 LEU 66 -13.906 -15.111 -1.333 558 HD21 LEU 66 3HD2 LEU 66 -14.157 -13.113 -4.518 559 HD22 LEU 66 1HD2 LEU 66 -15.799 -13.222 -3.878 560 HD23 LEU 66 2HD2 LEU 66 -15.320 -14.219 -5.252 561 H SER 67 H SER 67 -13.624 -18.313 -5.341 562 HA SER 67 HA SER 67 -15.681 -19.997 -4.126 563 HG SER 67 HG SER 67 -16.411 -17.025 -6.593 564 HB2 SER 67 2HB SER 67 -17.335 -19.422 -5.898 565 HB3 SER 67 3HB SER 67 -16.964 -18.051 -4.856 566 H LEU 68 H LEU 68 -16.093 -21.920 -5.260 567 HA LEU 68 HA LEU 68 -14.212 -22.502 -7.465 568 HG LEU 68 HG LEU 68 -13.537 -23.209 -4.545 569 HB2 LEU 68 2HB LEU 68 -15.526 -24.337 -5.456 570 HB3 LEU 68 3HB LEU 68 -14.583 -24.906 -6.823 571 HD11 LEU 68 1HD1 LEU 68 -12.279 -25.207 -3.918 572 HD12 LEU 68 2HD1 LEU 68 -13.059 -26.115 -5.214 573 HD13 LEU 68 3HD1 LEU 68 -14.016 -25.503 -3.864 574 HD21 LEU 68 3HD2 LEU 68 -11.329 -23.591 -5.543 575 HD22 LEU 68 1HD2 LEU 68 -12.386 -22.703 -6.640 576 HD23 LEU 68 2HD2 LEU 68 -12.085 -24.421 -6.905 577 H SER 69 H SER 69 -14.879 -23.561 -9.309 578 HA SER 69 HA SER 69 -17.769 -23.615 -9.858 579 HG SER 69 HG SER 69 -17.977 -23.186 -12.661 580 HB2 SER 69 2HB SER 69 -16.424 -22.347 -11.472 581 HB3 SER 69 3HB SER 69 -15.407 -23.756 -11.762 582 H GLU 70 H GLU 70 -18.830 -25.493 -10.456 583 HA GLU 70 HA GLU 70 -19.286 -27.726 -10.509 584 HB2 GLU 70 2HB GLU 70 -16.497 -27.887 -11.686 585 HB3 GLU 70 3HB GLU 70 -17.727 -29.137 -11.798 586 HG2 GLU 70 2HG GLU 70 -17.999 -26.363 -12.950 587 HG3 GLU 70 3HG GLU 70 -17.480 -27.781 -13.858 588 H SER 71 H SER 71 -17.760 -26.548 -8.169 589 HA SER 71 HA SER 71 -17.003 -27.211 -6.137 590 HG SER 71 HG SER 71 -18.220 -30.001 -4.604 591 HB2 SER 71 2HB SER 71 -18.854 -28.897 -6.361 592 HB3 SER 71 3HB SER 71 -17.670 -30.041 -6.986 593 H GLY 72 H GLY 72 -15.277 -27.492 -8.734 594 HA2 GLY 72 2HA GLY 72 -12.930 -28.534 -7.327 595 HA3 GLY 72 3HA GLY 72 -13.381 -29.364 -8.806 596 H ARG 73 H ARG 73 -14.110 -27.237 -10.438 597 HA ARG 73 HA ARG 73 -11.594 -26.159 -11.235 598 HE ARG 73 HE ARG 73 -10.480 -26.063 -12.400 599 HB2 ARG 73 2HB ARG 73 -13.693 -26.695 -12.659 600 HB3 ARG 73 3HB ARG 73 -14.275 -25.120 -12.145 601 HG2 ARG 73 2HG ARG 73 -13.312 -24.690 -14.213 602 HG3 ARG 73 3HG ARG 73 -12.045 -24.220 -13.081 603 HD2 ARG 73 2HD ARG 73 -12.214 -26.866 -14.531 604 HD3 ARG 73 3HD ARG 73 -11.165 -25.522 -14.979 605 HH11 ARG 73 1HH1 ARG 73 -10.590 -27.890 -15.320 606 HH12 ARG 73 2HH1 ARG 73 -9.398 -29.019 -14.777 607 HH21 ARG 73 1HH2 ARG 73 -8.943 -27.521 -11.726 608 HH22 ARG 73 2HH2 ARG 73 -8.489 -28.820 -12.776 609 H VAL 74 H VAL 74 -11.240 -23.743 -11.567 610 HA VAL 74 HA VAL 74 -11.898 -22.336 -9.091 611 HB VAL 74 HB VAL 74 -9.960 -21.666 -11.317 612 HG11 VAL 74 1HG1 VAL 74 -9.121 -19.877 -9.842 613 HG12 VAL 74 2HG1 VAL 74 -10.449 -20.191 -8.724 614 HG13 VAL 74 3HG1 VAL 74 -10.787 -19.594 -10.347 615 HG21 VAL 74 3HG2 VAL 74 -9.488 -22.590 -8.476 616 HG22 VAL 74 1HG2 VAL 74 -8.238 -22.187 -9.654 617 HG23 VAL 74 2HG2 VAL 74 -9.294 -23.570 -9.929 618 H ARG 75 H ARG 75 -13.230 -20.615 -8.926 619 HA ARG 75 HA ARG 75 -14.402 -19.447 -11.368 620 HE ARG 75 HE ARG 75 -18.820 -21.919 -9.619 621 HB2 ARG 75 2HB ARG 75 -15.239 -19.472 -8.475 622 HB3 ARG 75 3HB ARG 75 -15.912 -18.293 -9.594 623 HG2 ARG 75 2HG ARG 75 -16.728 -20.163 -11.004 624 HG3 ARG 75 3HG ARG 75 -16.143 -21.291 -9.778 625 HD2 ARG 75 2HD ARG 75 -17.648 -20.399 -8.137 626 HD3 ARG 75 3HD ARG 75 -18.123 -19.082 -9.209 627 HH11 ARG 75 1HH1 ARG 75 -19.487 -18.559 -10.025 628 HH12 ARG 75 2HH1 ARG 75 -21.021 -18.848 -10.770 629 HH21 ARG 75 1HH2 ARG 75 -20.783 -22.268 -10.583 630 HH22 ARG 75 2HH2 ARG 75 -21.738 -20.921 -11.098 631 H GLU 76 H GLU 76 -13.550 -18.189 -8.155 632 HA GLU 76 HA GLU 76 -12.401 -15.791 -9.438 633 HB2 GLU 76 2HB GLU 76 -14.011 -15.886 -6.871 634 HB3 GLU 76 3HB GLU 76 -13.339 -14.445 -7.626 635 HG2 GLU 76 2HG GLU 76 -14.805 -14.731 -9.543 636 HG3 GLU 76 3HG GLU 76 -15.439 -16.225 -8.857 637 H PHE 77 H PHE 77 -10.365 -15.398 -8.901 638 HA PHE 77 HA PHE 77 -9.156 -16.755 -6.590 639 HD1 PHE 77 HD1 PHE 77 -7.704 -18.538 -6.929 640 HD2 PHE 77 HD2 PHE 77 -5.398 -15.189 -8.227 641 HE1 PHE 77 HE1 PHE 77 -5.698 -19.528 -5.918 642 HE2 PHE 77 HE2 PHE 77 -3.395 -16.186 -7.212 643 HZ PHE 77 HZ PHE 77 -3.540 -18.358 -6.057 644 HB2 PHE 77 2HB PHE 77 -8.277 -16.916 -9.033 645 HB3 PHE 77 3HB PHE 77 -7.664 -15.289 -8.770 646 H GLU 78 H GLU 78 -9.227 -15.488 -4.776 647 HA GLU 78 HA GLU 78 -9.337 -12.601 -5.045 648 HB2 GLU 78 2HB GLU 78 -10.861 -13.656 -3.470 649 HB3 GLU 78 3HB GLU 78 -9.506 -14.334 -2.574 650 HG2 GLU 78 2HG GLU 78 -8.802 -12.190 -1.833 651 HG3 GLU 78 3HG GLU 78 -9.894 -11.372 -2.946 652 H LEU 79 H LEU 79 -7.696 -11.278 -4.891 653 HA LEU 79 HA LEU 79 -5.114 -12.189 -3.833 654 HG LEU 79 HG LEU 79 -6.225 -11.510 -6.802 655 HB2 LEU 79 2HB LEU 79 -5.788 -9.607 -5.269 656 HB3 LEU 79 3HB LEU 79 -4.184 -10.246 -4.952 657 HD11 LEU 79 1HD1 LEU 79 -5.412 -9.419 -7.723 658 HD12 LEU 79 2HD1 LEU 79 -4.733 -10.779 -8.612 659 HD13 LEU 79 3HD1 LEU 79 -3.742 -9.911 -7.439 660 HD21 LEU 79 3HD2 LEU 79 -4.732 -13.156 -5.790 661 HD22 LEU 79 1HD2 LEU 79 -3.330 -12.212 -6.293 662 HD23 LEU 79 2HD2 LEU 79 -4.376 -12.955 -7.503 663 H VAL 80 H VAL 80 -4.680 -11.722 -1.728 664 HA VAL 80 HA VAL 80 -5.973 -9.354 -0.524 665 HB VAL 80 HB VAL 80 -6.727 -11.345 0.573 666 HG11 VAL 80 1HG1 VAL 80 -5.218 -12.919 1.698 667 HG12 VAL 80 2HG1 VAL 80 -3.831 -12.056 1.032 668 HG13 VAL 80 3HG1 VAL 80 -4.955 -12.884 -0.046 669 HG21 VAL 80 3HG2 VAL 80 -6.011 -10.925 2.891 670 HG22 VAL 80 1HG2 VAL 80 -6.356 -9.429 2.022 671 HG23 VAL 80 2HG2 VAL 80 -4.686 -9.925 2.293 672 H TYR 81 H TYR 81 -4.773 -7.736 0.201 673 HA TYR 81 HA TYR 81 -1.853 -8.109 0.487 674 HD1 TYR 81 HD2 TYR 81 0.088 -7.345 -0.675 675 HD2 TYR 81 HD1 TYR 81 -2.142 -3.721 -0.494 676 HE1 TYR 81 HE2 TYR 81 2.184 -6.066 -0.552 677 HE2 TYR 81 HE1 TYR 81 -0.053 -2.435 -0.375 678 HH TYR 81 HH TYR 81 2.288 -2.779 0.289 679 HB2 TYR 81 2HB TYR 81 -2.465 -6.944 -1.622 680 HB3 TYR 81 3HB TYR 81 -3.291 -5.709 -0.685 681 H ARG 82 H ARG 82 -0.913 -7.207 2.279 682 HA ARG 82 HA ARG 82 -2.650 -5.669 4.122 683 HE ARG 82 HE ARG 82 -2.126 -11.362 4.905 684 HB2 ARG 82 2HB ARG 82 -0.472 -7.548 5.040 685 HB3 ARG 82 3HB ARG 82 -1.773 -6.842 5.989 686 HG2 ARG 82 2HG ARG 82 -3.397 -8.236 4.772 687 HG3 ARG 82 3HG ARG 82 -2.068 -8.964 3.864 688 HD2 ARG 82 2HD ARG 82 -1.084 -9.589 6.145 689 HD3 ARG 82 3HD ARG 82 -2.663 -9.177 6.810 690 HH11 ARG 82 1HH1 ARG 82 -4.183 -9.876 7.250 691 HH12 ARG 82 2HH1 ARG 82 -5.179 -11.277 7.413 692 HH21 ARG 82 1HH2 ARG 82 -3.376 -13.132 5.133 693 HH22 ARG 82 2HH2 ARG 82 -4.723 -13.119 6.223 694 H VAL 83 H VAL 83 -1.858 -3.712 4.653 695 HA VAL 83 HA VAL 83 1.056 -3.240 4.460 696 HB VAL 83 HB VAL 83 -1.168 -1.183 4.373 697 HG11 VAL 83 1HG1 VAL 83 0.869 -0.258 5.310 698 HG12 VAL 83 2HG1 VAL 83 0.627 0.371 3.680 699 HG13 VAL 83 3HG1 VAL 83 1.815 -0.900 3.967 700 HG21 VAL 83 3HG2 VAL 83 -0.591 -0.931 1.998 701 HG22 VAL 83 1HG2 VAL 83 -1.176 -2.555 2.358 702 HG23 VAL 83 2HG2 VAL 83 0.551 -2.268 2.136 703 H ALA 84 H ALA 84 2.044 -3.223 6.377 704 HA ALA 84 HA ALA 84 0.635 -2.048 8.700 705 HB1 ALA 84 3HB ALA 84 1.953 -3.512 10.136 706 HB2 ALA 84 1HB ALA 84 2.756 -4.199 8.722 707 HB3 ALA 84 2HB ALA 84 1.026 -4.452 8.967 708 H ALA 85 H ALA 85 1.516 -0.255 9.538 709 HA ALA 85 HA ALA 85 4.381 0.257 9.333 710 HB1 ALA 85 3HB ALA 85 4.120 2.418 8.240 711 HB2 ALA 85 1HB ALA 85 2.380 2.162 8.110 712 HB3 ALA 85 2HB ALA 85 3.493 1.125 7.218 713 H ARG 86 H ARG 86 4.938 2.414 10.395 714 HA ARG 86 HA ARG 86 3.035 3.225 12.485 715 HE ARG 86 HE ARG 86 4.148 -1.014 14.914 716 HB2 ARG 86 2HB ARG 86 5.950 2.546 12.962 717 HB3 ARG 86 3HB ARG 86 4.887 3.292 14.147 718 HG2 ARG 86 2HG ARG 86 3.461 1.295 14.123 719 HG3 ARG 86 3HG ARG 86 4.536 0.550 12.939 720 HD2 ARG 86 2HD ARG 86 6.383 0.661 14.558 721 HD3 ARG 86 3HD ARG 86 5.292 1.387 15.742 722 HH11 ARG 86 1HH1 ARG 86 6.928 0.063 16.635 723 HH12 ARG 86 2HH1 ARG 86 7.063 -1.396 17.549 724 HH21 ARG 86 1HH2 ARG 86 4.311 -2.869 16.107 725 HH22 ARG 86 2HH2 ARG 86 5.585 -3.038 17.264 726 H LEU 87 H LEU 87 3.481 5.373 13.373 727 HA LEU 87 HA LEU 87 5.059 7.047 11.519 728 HG LEU 87 HG LEU 87 3.992 8.827 10.292 729 HB2 LEU 87 2HB LEU 87 2.459 7.042 11.326 730 HB3 LEU 87 3HB LEU 87 2.506 8.004 12.789 731 HD11 LEU 87 1HD1 LEU 87 1.630 8.552 9.712 732 HD12 LEU 87 2HD1 LEU 87 2.087 10.258 9.738 733 HD13 LEU 87 3HD1 LEU 87 1.171 9.571 11.079 734 HD21 LEU 87 3HD2 LEU 87 4.685 9.943 12.348 735 HD22 LEU 87 1HD2 LEU 87 3.010 10.374 12.698 736 HD23 LEU 87 2HD2 LEU 87 3.827 11.068 11.296 737 H LEU 88 H LEU 88 6.801 7.414 12.806 738 HA LEU 88 HA LEU 88 6.440 8.140 15.615 739 HG LEU 88 HG LEU 88 7.464 5.842 16.075 740 HB2 LEU 88 2HB LEU 88 8.949 7.519 14.044 741 HB3 LEU 88 3HB LEU 88 8.910 7.898 15.754 742 HD11 LEU 88 1HD1 LEU 88 7.544 4.121 14.341 743 HD12 LEU 88 2HD1 LEU 88 8.343 5.252 13.247 744 HD13 LEU 88 3HD1 LEU 88 6.690 5.558 13.782 745 HD21 LEU 88 3HD2 LEU 88 10.264 5.470 15.002 746 HD22 LEU 88 1HD2 LEU 88 9.369 4.290 15.964 747 HD23 LEU 88 2HD2 LEU 88 9.812 5.844 16.667 748 H ASP 89 H ASP 89 8.193 9.768 16.401 749 HA ASP 89 HA ASP 89 8.001 12.228 14.837 750 HB2 ASP 89 2HB ASP 89 7.451 12.381 17.201 751 HB3 ASP 89 3HB ASP 89 8.986 11.648 17.649 752 H ALA 90 H ALA 90 10.045 13.612 14.698 753 HA ALA 90 HA ALA 90 12.058 12.403 13.243 754 HB1 ALA 90 3HB ALA 90 13.345 14.444 13.548 755 HB2 ALA 90 1HB ALA 90 12.316 14.910 14.903 756 HB3 ALA 90 2HB ALA 90 11.642 14.814 13.275 757 H HIS 91 H HIS 91 11.845 12.714 16.732 758 HA HIS 91 HA HIS 91 14.584 11.860 17.188 759 HD1 HIS 91 HD1 HIS 91 15.141 13.828 20.409 760 HD2 HIS 91 HD2 HIS 91 12.529 14.864 17.349 761 HE1 HIS 91 HE1 HIS 91 15.421 16.300 20.098 762 HE2 HIS 91 HE2 HIS 91 13.952 16.874 18.140 763 HB2 HIS 91 2HB HIS 91 12.271 12.318 19.087 764 HB3 HIS 91 3HB HIS 91 13.894 11.874 19.599 765 H ASN 92 H ASN 92 12.205 10.129 15.984 766 HA ASN 92 HA ASN 92 11.515 7.962 15.963 767 HB2 ASN 92 2HB ASN 92 14.164 7.533 17.369 768 HB3 ASN 92 3HB ASN 92 13.165 6.241 16.708 769 HD21 ASN 92 1HD2 ASN 92 13.009 6.007 14.480 770 HD22 ASN 92 2HD2 ASN 92 14.103 6.778 13.391 771 H ALA 93 H ALA 93 10.917 9.692 18.374 772 HA ALA 93 HA ALA 93 10.903 7.894 20.643 773 HB1 ALA 93 3HB ALA 93 9.989 9.799 21.869 774 HB2 ALA 93 1HB ALA 93 9.794 10.685 20.356 775 HB3 ALA 93 2HB ALA 93 11.408 10.267 20.930 776 H GLU 94 H GLU 94 9.259 7.006 18.431 777 HA GLU 94 HA GLU 94 7.129 6.440 17.794 778 HB2 GLU 94 2HB GLU 94 6.053 4.970 19.466 779 HB3 GLU 94 3HB GLU 94 7.767 4.652 19.264 780 HG2 GLU 94 2HG GLU 94 8.194 5.966 21.336 781 HG3 GLU 94 3HG GLU 94 6.451 6.107 21.552 782 H LEU 95 H LEU 95 5.763 8.013 17.219 783 HA LEU 95 HA LEU 95 4.547 9.728 19.275 784 HG LEU 95 HG LEU 95 4.516 12.583 16.883 785 HB2 LEU 95 2HB LEU 95 5.847 10.660 17.281 786 HB3 LEU 95 3HB LEU 95 4.504 10.151 16.280 787 HD11 LEU 95 1HD1 LEU 95 2.106 11.044 17.844 788 HD12 LEU 95 2HD1 LEU 95 2.447 11.513 16.178 789 HD13 LEU 95 3HD1 LEU 95 2.142 12.750 17.394 790 HD21 LEU 95 3HD2 LEU 95 5.376 12.397 19.148 791 HD22 LEU 95 1HD2 LEU 95 3.908 11.562 19.657 792 HD23 LEU 95 2HD2 LEU 95 3.830 13.245 19.136 793 H ALA 96 H ALA 96 3.587 8.042 16.265 794 HA ALA 96 HA ALA 96 0.974 7.457 17.477 795 HB1 ALA 96 3HB ALA 96 0.685 9.492 16.134 796 HB2 ALA 96 1HB ALA 96 -0.211 8.132 15.454 797 HB3 ALA 96 2HB ALA 96 1.308 8.645 14.718 798 H SER 97 H SER 97 0.085 5.502 16.880 799 HA SER 97 HA SER 97 1.782 3.743 15.252 800 HG SER 97 HG SER 97 1.451 1.930 18.063 801 HB2 SER 97 2HB SER 97 -0.527 3.100 17.107 802 HB3 SER 97 3HB SER 97 0.387 1.898 16.193 803 H LEU 98 H LEU 98 1.336 3.985 13.159 804 HA LEU 98 HA LEU 98 -1.168 4.676 12.057 805 HG LEU 98 HG LEU 98 -0.599 3.322 9.151 806 HB2 LEU 98 2HB LEU 98 1.013 5.106 10.986 807 HB3 LEU 98 3HB LEU 98 1.234 3.385 10.742 808 HD11 LEU 98 1HD1 LEU 98 -1.801 5.331 8.482 809 HD12 LEU 98 2HD1 LEU 98 -0.935 6.273 9.694 810 HD13 LEU 98 3HD1 LEU 98 -2.049 5.000 10.196 811 HD21 LEU 98 3HD2 LEU 98 0.364 4.696 7.385 812 HD22 LEU 98 1HD2 LEU 98 1.640 3.942 8.342 813 HD23 LEU 98 2HD2 LEU 98 1.250 5.648 8.581 814 H GLN 99 H GLN 99 -2.939 3.441 11.829 815 HA GLN 99 HA GLN 99 -2.995 0.719 12.583 816 HB2 GLN 99 2HB GLN 99 -4.884 2.297 12.860 817 HB3 GLN 99 3HB GLN 99 -5.113 2.308 11.117 818 HG2 GLN 99 2HG GLN 99 -6.730 0.857 12.198 819 HG3 GLN 99 3HG GLN 99 -5.651 -0.070 11.157 820 HE21 GLN 99 1HE2 GLN 99 -6.129 -1.965 12.284 821 HE22 GLN 99 2HE2 GLN 99 -5.487 -2.281 13.854 822 H GLU 100 H GLU 100 -3.557 -1.149 11.378 823 HA GLU 100 HA GLU 100 -2.081 -1.511 9.012 824 HB2 GLU 100 2HB GLU 100 -3.077 -3.760 8.957 825 HB3 GLU 100 3HB GLU 100 -2.511 -3.341 10.568 826 HG2 GLU 100 2HG GLU 100 -4.742 -2.931 11.329 827 HG3 GLU 100 3HG GLU 100 -5.383 -3.077 9.694 828 H ILE 101 H ILE 101 -2.678 -1.842 6.877 829 HA ILE 101 HA ILE 101 -5.435 -1.086 6.130 830 HB ILE 101 HB ILE 101 -2.889 -0.731 4.529 831 HG12 ILE 101 2HG1 ILE 101 -4.734 1.299 5.832 832 HG13 ILE 101 3HG1 ILE 101 -3.133 0.851 6.411 833 HG21 ILE 101 1HG2 ILE 101 -4.313 0.455 2.902 834 HG22 ILE 101 2HG2 ILE 101 -5.740 0.010 3.840 835 HG23 ILE 101 3HG2 ILE 101 -4.768 -1.241 3.064 836 HD11 ILE 101 3HD1 ILE 101 -2.154 1.745 4.355 837 HD12 ILE 101 1HD1 ILE 101 -3.066 2.962 5.249 838 HD13 ILE 101 2HD1 ILE 101 -3.763 2.219 3.809 839 H ARG 102 H ARG 102 -6.586 -2.798 5.542 840 HA ARG 102 HA ARG 102 -5.243 -5.076 4.205 841 HE ARG 102 HE ARG 102 -10.401 -5.028 7.929 842 HB2 ARG 102 2HB ARG 102 -7.134 -6.448 5.149 843 HB3 ARG 102 3HB ARG 102 -6.046 -5.768 6.351 844 HG2 ARG 102 2HG ARG 102 -7.688 -3.914 6.689 845 HG3 ARG 102 3HG ARG 102 -8.796 -4.775 5.621 846 HD2 ARG 102 2HD ARG 102 -8.887 -6.644 7.130 847 HD3 ARG 102 3HD ARG 102 -7.627 -5.941 8.148 848 HH11 ARG 102 1HH1 ARG 102 -7.303 -4.798 9.422 849 HH12 ARG 102 2HH1 ARG 102 -7.881 -3.793 10.704 850 HH21 ARG 102 1HH2 ARG 102 -11.119 -3.718 9.585 851 HH22 ARG 102 2HH2 ARG 102 -10.002 -3.190 10.798 852 H LEU 103 H LEU 103 -5.801 -5.432 2.141 853 HA LEU 103 HA LEU 103 -8.477 -4.621 1.180 854 HG LEU 103 HG LEU 103 -6.258 -2.477 1.637 855 HB2 LEU 103 2HB LEU 103 -5.873 -4.079 -0.264 856 HB3 LEU 103 3HB LEU 103 -7.478 -3.686 -0.853 857 HD11 LEU 103 1HD1 LEU 103 -5.872 -0.475 0.288 858 HD12 LEU 103 2HD1 LEU 103 -6.425 -1.337 -1.152 859 HD13 LEU 103 3HD1 LEU 103 -4.954 -1.853 -0.326 860 HD21 LEU 103 3HD2 LEU 103 -8.705 -2.455 1.598 861 HD22 LEU 103 1HD2 LEU 103 -8.680 -1.688 0.008 862 HD23 LEU 103 2HD2 LEU 103 -8.049 -0.828 1.416 863 H THR 104 H THR 104 -9.372 -5.965 -0.403 864 HA THR 104 HA THR 104 -7.638 -8.068 -1.541 865 HB THR 104 HB THR 104 -9.346 -9.751 -1.378 866 HG1 THR 104 HG1 THR 104 -11.381 -9.306 -1.031 867 HG21 THR 104 3HG2 THR 104 -9.128 -8.345 1.285 868 HG22 THR 104 1HG2 THR 104 -7.945 -9.468 0.612 869 HG23 THR 104 2HG2 THR 104 -9.561 -10.036 1.030 870 H ARG 105 H ARG 105 -7.880 -8.455 -3.690 871 HA ARG 105 HA ARG 105 -10.138 -7.146 -5.077 872 HE ARG 105 HE ARG 105 -9.862 -4.471 -5.647 873 HB2 ARG 105 2HB ARG 105 -7.879 -5.982 -5.344 874 HB3 ARG 105 3HB ARG 105 -7.368 -7.390 -6.261 875 HG2 ARG 105 2HG ARG 105 -8.373 -6.652 -8.112 876 HG3 ARG 105 3HG ARG 105 -9.894 -6.386 -7.260 877 HD2 ARG 105 2HD ARG 105 -7.547 -4.483 -7.351 878 HD3 ARG 105 3HD ARG 105 -9.066 -4.308 -8.233 879 HH11 ARG 105 1HH1 ARG 105 -7.657 -2.423 -7.337 880 HH12 ARG 105 2HH1 ARG 105 -7.808 -1.135 -6.192 881 HH21 ARG 105 1HH2 ARG 105 -10.079 -2.799 -4.220 882 HH22 ARG 105 2HH2 ARG 105 -9.186 -1.335 -4.472 883 H ILE 106 H ILE 106 -11.139 -8.317 -6.689 884 HA ILE 106 HA ILE 106 -10.620 -11.186 -6.531 885 HB ILE 106 HB ILE 106 -12.966 -9.745 -7.783 886 HG12 ILE 106 2HG1 ILE 106 -12.863 -9.226 -5.408 887 HG13 ILE 106 3HG1 ILE 106 -14.176 -10.361 -5.702 888 HG21 ILE 106 1HG2 ILE 106 -12.699 -11.998 -8.651 889 HG22 ILE 106 2HG2 ILE 106 -14.106 -11.918 -7.591 890 HG23 ILE 106 3HG2 ILE 106 -12.607 -12.644 -7.011 891 HD11 ILE 106 3HD1 ILE 106 -12.762 -12.190 -4.901 892 HD12 ILE 106 1HD1 ILE 106 -12.973 -10.930 -3.686 893 HD13 ILE 106 2HD1 ILE 106 -11.462 -11.038 -4.588 894 H LEU 107 H LEU 107 -9.316 -12.061 -7.996 895 HA LEU 107 HA LEU 107 -9.173 -11.047 -10.735 896 HG LEU 107 HG LEU 107 -5.786 -12.682 -10.998 897 HB2 LEU 107 2HB LEU 107 -7.143 -11.642 -9.340 898 HB3 LEU 107 3HB LEU 107 -7.635 -13.316 -9.449 899 HD11 LEU 107 1HD1 LEU 107 -6.616 -13.851 -12.935 900 HD12 LEU 107 2HD1 LEU 107 -8.283 -13.560 -12.442 901 HD13 LEU 107 3HD1 LEU 107 -7.251 -14.611 -11.473 902 HD21 LEU 107 3HD2 LEU 107 -6.279 -11.357 -12.986 903 HD22 LEU 107 1HD2 LEU 107 -6.509 -10.413 -11.515 904 HD23 LEU 107 2HD2 LEU 107 -7.908 -11.043 -12.384 905 HA PRO 108 HA PRO 108 -12.200 -14.258 -11.786 906 HB2 PRO 108 2HB PRO 108 -12.612 -13.508 -14.353 907 HB3 PRO 108 3HB PRO 108 -13.301 -12.622 -12.988 908 HG2 PRO 108 2HG PRO 108 -10.856 -12.002 -14.611 909 HG3 PRO 108 3HG PRO 108 -12.135 -10.906 -14.051 910 HD2 PRO 108 2HD PRO 108 -9.726 -11.139 -12.795 911 HD3 PRO 108 3HD PRO 108 -11.225 -10.720 -11.939 912 H PHE 109 H PHE 109 -11.818 -16.320 -12.419 913 HA PHE 109 HA PHE 109 -9.386 -16.959 -13.868 914 HD1 PHE 109 HD1 PHE 109 -7.864 -19.124 -12.955 915 HD2 PHE 109 HD2 PHE 109 -11.652 -20.547 -14.303 916 HE1 PHE 109 HE1 PHE 109 -6.763 -21.057 -14.006 917 HE2 PHE 109 HE2 PHE 109 -10.548 -22.480 -15.353 918 HZ PHE 109 HZ PHE 109 -8.104 -22.739 -15.206 919 HB2 PHE 109 2HB PHE 109 -10.042 -18.340 -11.953 920 HB3 PHE 109 3HB PHE 109 -11.551 -18.762 -12.755 921 H LEU 110 H LEU 110 -9.266 -17.132 -16.011 922 HA LEU 110 HA LEU 110 -11.691 -17.881 -17.524 923 HG LEU 110 HG LEU 110 -11.232 -14.892 -16.848 924 HB2 LEU 110 2HB LEU 110 -9.530 -15.917 -18.296 925 HB3 LEU 110 3HB LEU 110 -10.785 -16.477 -19.387 926 HD11 LEU 110 1HD1 LEU 110 -11.994 -13.123 -18.388 927 HD12 LEU 110 2HD1 LEU 110 -11.473 -14.114 -19.753 928 HD13 LEU 110 3HD1 LEU 110 -10.287 -13.514 -18.593 929 HD21 LEU 110 3HD2 LEU 110 -13.213 -15.884 -18.904 930 HD22 LEU 110 1HD2 LEU 110 -13.578 -14.783 -17.575 931 HD23 LEU 110 2HD2 LEU 110 -13.071 -16.438 -17.235 932 H ASP 111 H ASP 111 -11.477 -19.307 -19.222 933 HA ASP 111 HA ASP 111 -9.318 -21.176 -18.864 934 HB2 ASP 111 2HB ASP 111 -10.611 -22.613 -20.389 935 HB3 ASP 111 3HB ASP 111 -11.609 -21.974 -19.087 936 H ALA 112 H ALA 112 -7.525 -21.354 -20.015 937 HA ALA 112 HA ALA 112 -5.969 -21.244 -21.666 938 HB1 ALA 112 3HB ALA 112 -6.701 -21.501 -23.963 939 HB2 ALA 112 1HB ALA 112 -8.343 -21.041 -23.511 940 HB3 ALA 112 2HB ALA 112 -7.647 -22.539 -22.896 941 H GLN 113 H GLN 113 -7.541 -18.607 -20.732 942 HA GLN 113 HA GLN 113 -6.911 -16.807 -22.912 943 HB2 GLN 113 2HB GLN 113 -7.959 -16.267 -20.123 944 HB3 GLN 113 3HB GLN 113 -7.791 -15.052 -21.384 945 HG2 GLN 113 2HG GLN 113 -9.581 -17.476 -21.477 946 HG3 GLN 113 3HG GLN 113 -10.089 -15.810 -21.203 947 HE21 GLN 113 1HE2 GLN 113 -10.846 -17.693 -23.312 948 HE22 GLN 113 2HE2 GLN 113 -10.457 -16.909 -24.801 949 H GLU 114 H GLU 114 -4.592 -18.120 -21.925 950 HA GLU 114 HA GLU 114 -3.157 -16.758 -19.966 951 HB2 GLU 114 2HB GLU 114 -1.124 -17.720 -21.042 952 HB3 GLU 114 3HB GLU 114 -2.399 -18.892 -20.742 953 HG2 GLU 114 2HG GLU 114 -3.088 -18.642 -23.131 954 HG3 GLU 114 3HG GLU 114 -1.656 -17.643 -23.377 955 H LEU 115 H LEU 115 -3.720 -15.839 -23.296 956 HA LEU 115 HA LEU 115 -1.729 -13.754 -23.332 957 HG LEU 115 HG LEU 115 -2.417 -14.753 -26.876 958 HB2 LEU 115 2HB LEU 115 -4.135 -14.185 -25.120 959 HB3 LEU 115 3HB LEU 115 -2.891 -12.986 -25.391 960 HD11 LEU 115 1HD1 LEU 115 -0.447 -13.888 -25.739 961 HD12 LEU 115 2HD1 LEU 115 -0.251 -15.589 -26.161 962 HD13 LEU 115 3HD1 LEU 115 -0.607 -15.130 -24.495 963 HD21 LEU 115 3HD2 LEU 115 -2.703 -16.675 -24.570 964 HD22 LEU 115 1HD2 LEU 115 -2.213 -17.099 -26.210 965 HD23 LEU 115 2HD2 LEU 115 -3.832 -16.470 -25.908 966 H ALA 116 H ALA 116 -5.301 -13.745 -23.204 967 HA ALA 116 HA ALA 116 -5.639 -10.993 -22.822 968 HB1 ALA 116 3HB ALA 116 -7.437 -12.509 -23.520 969 HB2 ALA 116 1HB ALA 116 -7.911 -11.529 -22.132 970 HB3 ALA 116 2HB ALA 116 -7.462 -13.221 -21.908 971 H LYS 117 H LYS 117 -5.206 -13.567 -20.435 972 HA LYS 117 HA LYS 117 -5.855 -12.231 -18.100 973 HB2 LYS 117 2HB LYS 117 -3.794 -14.376 -18.608 974 HB3 LYS 117 3HB LYS 117 -4.188 -13.802 -16.994 975 HG2 LYS 117 2HG LYS 117 -6.152 -15.051 -18.916 976 HG3 LYS 117 3HG LYS 117 -5.357 -15.889 -17.583 977 HD2 LYS 117 2HD LYS 117 -7.213 -13.511 -17.322 978 HD3 LYS 117 3HD LYS 117 -7.643 -15.191 -16.997 979 HE2 LYS 117 2HE LYS 117 -5.564 -13.563 -15.530 980 HE3 LYS 117 3HE LYS 117 -7.165 -13.988 -14.928 981 HZ1 LYS 117 3HZ LYS 117 -6.533 -16.318 -14.992 982 HZ2 LYS 117 1HZ LYS 117 -5.458 -15.439 -14.030 983 HZ3 LYS 117 2HZ LYS 117 -5.003 -15.915 -15.585 984 H ALA 118 H ALA 118 -2.955 -11.904 -20.044 985 HA ALA 118 HA ALA 118 -1.243 -10.677 -18.213 986 HB1 ALA 118 3HB ALA 118 -0.548 -11.361 -20.460 987 HB2 ALA 118 1HB ALA 118 -0.124 -9.678 -20.141 988 HB3 ALA 118 2HB ALA 118 -1.515 -10.063 -21.158 989 H ALA 119 H ALA 119 -3.966 -9.333 -19.998 990 HA ALA 119 HA ALA 119 -3.508 -6.612 -19.254 991 HB1 ALA 119 3HB ALA 119 -4.853 -7.248 -21.217 992 HB2 ALA 119 1HB ALA 119 -5.739 -6.192 -20.117 993 HB3 ALA 119 2HB ALA 119 -6.081 -7.923 -20.143 994 H GLU 120 H GLU 120 -5.049 -9.323 -17.709 995 HA GLU 120 HA GLU 120 -6.447 -7.751 -15.724 996 HB2 GLU 120 2HB GLU 120 -6.080 -10.685 -16.233 997 HB3 GLU 120 3HB GLU 120 -6.654 -10.153 -14.660 998 HG2 GLU 120 2HG GLU 120 -8.472 -10.790 -16.194 999 HG3 GLU 120 3HG GLU 120 -8.587 -9.123 -15.640 1000 H GLU 121 H GLU 121 -3.728 -10.099 -15.540 1001 HA GLU 121 HA GLU 121 -2.986 -9.566 -12.913 1002 HB2 GLU 121 2HB GLU 121 -1.456 -10.586 -15.280 1003 HB3 GLU 121 3HB GLU 121 -0.593 -10.201 -13.800 1004 HG2 GLU 121 2HG GLU 121 -1.016 -12.477 -13.629 1005 HG3 GLU 121 3HG GLU 121 -2.255 -11.738 -12.621 1006 H GLU 122 H GLU 122 -1.886 -7.887 -15.876 1007 HA GLU 122 HA GLU 122 -0.226 -6.095 -14.348 1008 HB2 GLU 122 2HB GLU 122 -0.950 -6.315 -17.244 1009 HB3 GLU 122 3HB GLU 122 -0.208 -4.836 -16.654 1010 HG2 GLU 122 2HG GLU 122 1.531 -6.195 -17.508 1011 HG3 GLU 122 3HG GLU 122 1.675 -6.221 -15.756 1012 H MET 123 H MET 123 -3.412 -6.253 -14.270 1013 HA MET 123 HA MET 123 -3.638 -3.337 -13.855 1014 HB2 MET 123 2HB MET 123 -5.689 -5.309 -14.816 1015 HB3 MET 123 3HB MET 123 -6.192 -3.846 -13.978 1016 HG2 MET 123 2HG MET 123 -4.538 -3.956 -16.493 1017 HG3 MET 123 3HG MET 123 -6.256 -3.563 -16.398 1018 HE1 MET 123 3HE MET 123 -4.287 -1.640 -17.905 1019 HE2 MET 123 1HE MET 123 -4.780 -0.071 -17.263 1020 HE3 MET 123 2HE MET 123 -5.997 -1.285 -17.656 1021 H LEU 124 H LEU 124 -5.532 -6.159 -12.705 1022 HA LEU 124 HA LEU 124 -6.318 -4.926 -10.331 1023 HG LEU 124 HG LEU 124 -7.609 -6.890 -12.492 1024 HB2 LEU 124 2HB LEU 124 -6.075 -7.881 -10.900 1025 HB3 LEU 124 3HB LEU 124 -6.965 -7.188 -9.555 1026 HD11 LEU 124 1HD1 LEU 124 -9.640 -8.108 -11.937 1027 HD12 LEU 124 2HD1 LEU 124 -9.112 -8.255 -10.261 1028 HD13 LEU 124 3HD1 LEU 124 -8.206 -9.057 -11.546 1029 HD21 LEU 124 3HD2 LEU 124 -9.597 -5.644 -11.762 1030 HD22 LEU 124 1HD2 LEU 124 -8.104 -4.800 -11.351 1031 HD23 LEU 124 2HD2 LEU 124 -8.999 -5.669 -10.103 1032 H TYR 125 H TYR 125 -3.477 -6.909 -10.954 1033 HA TYR 125 HA TYR 125 -2.688 -7.427 -8.315 1034 HD1 TYR 125 HD2 TYR 125 -1.059 -9.704 -8.177 1035 HD2 TYR 125 HD1 TYR 125 1.170 -6.483 -9.854 1036 HE1 TYR 125 HE2 TYR 125 0.906 -10.382 -6.867 1037 HE2 TYR 125 HE1 TYR 125 3.138 -7.158 -8.549 1038 HH TYR 125 HH TYR 125 3.348 -10.156 -6.973 1039 HB2 TYR 125 2HB TYR 125 -1.751 -8.538 -10.309 1040 HB3 TYR 125 3HB TYR 125 -0.947 -7.041 -10.760 1041 H LYS 126 H LYS 126 -1.610 -4.776 -10.472 1042 HA LYS 126 HA LYS 126 -0.171 -3.460 -8.336 1043 HB2 LYS 126 2HB LYS 126 0.376 -1.758 -9.959 1044 HB3 LYS 126 3HB LYS 126 0.568 -3.333 -10.714 1045 HG2 LYS 126 2HG LYS 126 -1.539 -3.072 -11.886 1046 HG3 LYS 126 3HG LYS 126 -1.834 -1.541 -11.057 1047 HD2 LYS 126 2HD LYS 126 0.261 -0.655 -12.105 1048 HD3 LYS 126 3HD LYS 126 0.365 -2.148 -13.039 1049 HE2 LYS 126 2HE LYS 126 -1.817 -1.666 -14.051 1050 HE3 LYS 126 3HE LYS 126 -1.929 -0.180 -13.109 1051 HZ1 LYS 126 3HZ LYS 126 0.127 0.568 -14.244 1052 HZ2 LYS 126 1HZ LYS 126 -1.183 0.349 -15.292 1053 HZ3 LYS 126 2HZ LYS 126 0.047 -0.804 -15.229 1054 H ASP 127 H ASP 127 -3.318 -3.229 -9.804 1055 HA ASP 127 HA ASP 127 -4.112 -0.680 -8.945 1056 HB2 ASP 127 2HB ASP 127 -5.292 -2.000 -10.656 1057 HB3 ASP 127 3HB ASP 127 -5.787 -3.160 -9.428 1058 H MET 128 H MET 128 -4.374 -3.853 -7.369 1059 HA MET 128 HA MET 128 -5.715 -3.042 -5.036 1060 HB2 MET 128 2HB MET 128 -5.418 -5.387 -5.666 1061 HB3 MET 128 3HB MET 128 -3.684 -5.256 -5.411 1062 HG2 MET 128 2HG MET 128 -4.033 -4.898 -3.038 1063 HG3 MET 128 3HG MET 128 -5.781 -4.919 -3.273 1064 HE1 MET 128 3HE MET 128 -3.119 -8.614 -4.049 1065 HE2 MET 128 1HE MET 128 -2.469 -7.056 -3.537 1066 HE3 MET 128 2HE MET 128 -3.202 -7.226 -5.132 1067 H GLN 129 H GLN 129 -2.293 -2.951 -5.890 1068 HA GLN 129 HA GLN 129 -1.358 -2.040 -3.347 1069 HB2 GLN 129 2HB GLN 129 0.147 -3.133 -4.932 1070 HB3 GLN 129 3HB GLN 129 -0.116 -1.858 -6.107 1071 HG2 GLN 129 2HG GLN 129 1.020 -1.170 -3.424 1072 HG3 GLN 129 3HG GLN 129 2.055 -1.908 -4.642 1073 HE21 GLN 129 1HE2 GLN 129 2.154 0.774 -3.451 1074 HE22 GLN 129 2HE2 GLN 129 2.075 1.876 -4.776 1075 H LYS 130 H LYS 130 -2.489 -0.446 -6.287 1076 HA LYS 130 HA LYS 130 -1.784 2.199 -5.736 1077 HB2 LYS 130 2HB LYS 130 -2.762 1.355 -7.882 1078 HB3 LYS 130 3HB LYS 130 -4.327 1.260 -7.085 1079 HG2 LYS 130 2HG LYS 130 -4.219 3.699 -6.666 1080 HG3 LYS 130 3HG LYS 130 -2.710 3.759 -7.581 1081 HD2 LYS 130 2HD LYS 130 -3.981 2.775 -9.529 1082 HD3 LYS 130 3HD LYS 130 -5.458 3.015 -8.592 1083 HE2 LYS 130 2HE LYS 130 -5.132 4.869 -10.124 1084 HE3 LYS 130 3HE LYS 130 -4.958 5.425 -8.460 1085 HZ1 LYS 130 3HZ LYS 130 -2.537 5.259 -8.738 1086 HZ2 LYS 130 1HZ LYS 130 -3.231 6.360 -9.816 1087 HZ3 LYS 130 2HZ LYS 130 -2.755 4.832 -10.358 1088 H ASP 131 H ASP 131 -4.853 0.520 -4.952 1089 HA ASP 131 HA ASP 131 -6.108 2.471 -3.447 1090 HB2 ASP 131 2HB ASP 131 -6.042 -0.532 -3.099 1091 HB3 ASP 131 3HB ASP 131 -7.081 0.509 -2.130 1092 H ALA 132 H ALA 132 -3.786 0.036 -2.297 1093 HA ALA 132 HA ALA 132 -3.809 0.625 0.410 1094 HB1 ALA 132 3HB ALA 132 -1.445 -0.339 -1.201 1095 HB2 ALA 132 1HB ALA 132 -2.744 -1.357 -0.581 1096 HB3 ALA 132 2HB ALA 132 -1.673 -0.519 0.539 1097 H VAL 133 H VAL 133 -1.480 1.891 -2.016 1098 HA VAL 133 HA VAL 133 -0.037 3.474 -0.189 1099 HB VAL 133 HB VAL 133 0.890 2.862 -2.358 1100 HG11 VAL 133 1HG1 VAL 133 -1.088 4.802 -3.562 1101 HG12 VAL 133 2HG1 VAL 133 -1.136 3.045 -3.716 1102 HG13 VAL 133 3HG1 VAL 133 0.198 3.955 -4.424 1103 HG21 VAL 133 3HG2 VAL 133 1.926 4.998 -2.945 1104 HG22 VAL 133 1HG2 VAL 133 1.822 4.804 -1.195 1105 HG23 VAL 133 2HG2 VAL 133 0.686 5.861 -2.035 1106 H GLN 134 H GLN 134 -2.907 4.249 -2.124 1107 HA GLN 134 HA GLN 134 -2.929 7.038 -1.492 1108 HB2 GLN 134 2HB GLN 134 -5.256 5.268 -2.288 1109 HB3 GLN 134 3HB GLN 134 -5.230 7.026 -2.336 1110 HG2 GLN 134 2HG GLN 134 -3.527 5.180 -4.006 1111 HG3 GLN 134 3HG GLN 134 -4.941 6.076 -4.556 1112 HE21 GLN 134 1HE2 GLN 134 -1.608 6.296 -3.600 1113 HE22 GLN 134 2HE2 GLN 134 -1.331 7.880 -4.220 1114 H GLN 135 H GLN 135 -4.455 4.187 -0.043 1115 HA GLN 135 HA GLN 135 -6.000 5.455 1.918 1116 HB2 GLN 135 2HB GLN 135 -4.665 2.744 1.894 1117 HB3 GLN 135 3HB GLN 135 -5.745 3.263 3.180 1118 HG2 GLN 135 2HG GLN 135 -6.537 3.132 0.275 1119 HG3 GLN 135 3HG GLN 135 -6.799 1.826 1.431 1120 HE21 GLN 135 1HE2 GLN 135 -8.344 2.088 3.042 1121 HE22 GLN 135 2HE2 GLN 135 -9.546 3.319 2.971 1122 H ILE 136 H ILE 136 -2.599 4.369 2.050 1123 HA ILE 136 HA ILE 136 -2.047 4.982 4.721 1124 HB ILE 136 HB ILE 136 -0.109 5.381 2.421 1125 HG12 ILE 136 2HG1 ILE 136 -0.612 2.871 4.055 1126 HG13 ILE 136 3HG1 ILE 136 -1.124 3.107 2.388 1127 HG21 ILE 136 1HG2 ILE 136 0.365 4.804 5.354 1128 HG22 ILE 136 2HG2 ILE 136 0.635 6.346 4.543 1129 HG23 ILE 136 3HG2 ILE 136 1.616 4.946 4.117 1130 HD11 ILE 136 3HD1 ILE 136 0.889 1.757 2.525 1131 HD12 ILE 136 1HD1 ILE 136 1.724 3.064 3.365 1132 HD13 ILE 136 2HD1 ILE 136 1.206 3.278 1.692 1133 H LEU 137 H LEU 137 -1.456 7.048 1.863 1134 HA LEU 137 HA LEU 137 -0.621 9.357 3.143 1135 HG LEU 137 HG LEU 137 -2.210 11.445 1.389 1136 HB2 LEU 137 2HB LEU 137 -0.497 9.039 0.726 1137 HB3 LEU 137 3HB LEU 137 -2.246 9.084 0.608 1138 HD11 LEU 137 1HD1 LEU 137 -0.109 11.369 2.637 1139 HD12 LEU 137 2HD1 LEU 137 -0.099 12.665 1.444 1140 HD13 LEU 137 3HD1 LEU 137 0.788 11.173 1.131 1141 HD21 LEU 137 3HD2 LEU 137 -2.297 10.943 -0.999 1142 HD22 LEU 137 1HD2 LEU 137 -0.534 10.892 -1.065 1143 HD23 LEU 137 2HD2 LEU 137 -1.361 12.405 -0.694 1144 H ARG 138 H ARG 138 -3.943 8.389 2.323 1145 HA ARG 138 HA ARG 138 -5.269 10.684 3.205 1146 HE ARG 138 HE ARG 138 -9.537 11.055 4.374 1147 HB2 ARG 138 2HB ARG 138 -6.337 8.907 1.878 1148 HB3 ARG 138 3HB ARG 138 -6.244 7.816 3.253 1149 HG2 ARG 138 2HG ARG 138 -8.481 8.652 3.103 1150 HG3 ARG 138 3HG ARG 138 -7.720 9.366 4.524 1151 HD2 ARG 138 2HD ARG 138 -7.267 11.419 3.214 1152 HD3 ARG 138 3HD ARG 138 -8.101 10.698 1.838 1153 HH11 ARG 138 1HH1 ARG 138 -9.157 11.847 1.037 1154 HH12 ARG 138 2HH1 ARG 138 -10.661 12.699 0.969 1155 HH21 ARG 138 1HH2 ARG 138 -11.454 12.154 4.253 1156 HH22 ARG 138 2HH2 ARG 138 -11.938 12.876 2.758 1157 H GLN 139 H GLN 139 -4.502 7.698 5.023 1158 HA GLN 139 HA GLN 139 -5.721 8.557 7.443 1159 HB2 GLN 139 2HB GLN 139 -5.343 6.189 6.968 1160 HB3 GLN 139 3HB GLN 139 -3.603 6.440 6.990 1161 HG2 GLN 139 2HG GLN 139 -4.383 5.410 9.058 1162 HG3 GLN 139 3HG GLN 139 -3.688 7.001 9.355 1163 HE21 GLN 139 1HE2 GLN 139 -4.785 7.206 11.305 1164 HE22 GLN 139 2HE2 GLN 139 -6.479 7.522 11.377 1165 H VAL 140 H VAL 140 -2.363 8.744 6.277 1166 HA VAL 140 HA VAL 140 -1.090 9.660 8.569 1167 HB VAL 140 HB VAL 140 -0.572 10.433 5.687 1168 HG11 VAL 140 1HG1 VAL 140 1.672 11.137 6.430 1169 HG12 VAL 140 2HG1 VAL 140 1.190 10.874 8.107 1170 HG13 VAL 140 3HG1 VAL 140 0.403 12.128 7.148 1171 HG21 VAL 140 3HG2 VAL 140 -0.332 8.042 6.162 1172 HG22 VAL 140 1HG2 VAL 140 0.774 8.409 7.487 1173 HG23 VAL 140 2HG2 VAL 140 1.235 8.778 5.824 1174 H SER 141 H SER 141 -2.708 11.639 6.067 1175 HA SER 141 HA SER 141 -2.465 14.075 7.560 1176 HG SER 141 HG SER 141 -4.311 12.358 5.016 1177 HB2 SER 141 2HB SER 141 -3.970 15.044 5.882 1178 HB3 SER 141 3HB SER 141 -2.730 14.070 5.098 1179 H ALA 142 H ALA 142 -4.882 11.542 7.358 1180 HA ALA 142 HA ALA 142 -7.059 12.891 8.528 1181 HB1 ALA 142 3HB ALA 142 -7.295 10.794 7.283 1182 HB2 ALA 142 1HB ALA 142 -8.025 10.681 8.886 1183 HB3 ALA 142 2HB ALA 142 -6.457 9.933 8.573 1184 H PHE 143 H PHE 143 -4.172 11.653 9.987 1185 HA PHE 143 HA PHE 143 -4.985 11.090 12.575 1186 HD1 PHE 143 HD1 PHE 143 -3.322 9.989 14.296 1187 HD2 PHE 143 HD2 PHE 143 -1.681 10.215 10.377 1188 HE1 PHE 143 HE1 PHE 143 -2.657 7.621 14.443 1189 HE2 PHE 143 HE2 PHE 143 -1.014 7.851 10.516 1190 HZ PHE 143 HZ PHE 143 -1.501 6.549 12.551 1191 HB2 PHE 143 2HB PHE 143 -2.451 12.162 11.414 1192 HB3 PHE 143 3HB PHE 143 -2.638 12.194 13.165 1193 H THR 144 H THR 144 -4.331 14.290 11.173 1194 HA THR 144 HA THR 144 -5.132 15.573 13.690 1195 HB THR 144 HB THR 144 -3.142 16.478 12.527 1196 HG1 THR 144 HG1 THR 144 -5.284 18.376 12.456 1197 HG21 THR 144 3HG2 THR 144 -3.414 17.769 10.451 1198 HG22 THR 144 1HG2 THR 144 -5.094 17.249 10.347 1199 HG23 THR 144 2HG2 THR 144 -3.794 16.063 10.208 1200 H SER 145 H SER 145 -6.932 14.129 11.693 1201 HA SER 145 HA SER 145 -9.015 16.203 11.546 1202 HG SER 145 HG SER 145 -9.986 16.229 8.589 1203 HB2 SER 145 2HB SER 145 -8.031 15.989 9.288 1204 HB3 SER 145 3HB SER 145 -8.340 14.254 9.314 1205 H ALA 146 H ALA 146 -11.085 14.692 10.526 1206 HA ALA 146 HA ALA 146 -11.235 12.249 12.151 1207 HB1 ALA 146 3HB ALA 146 -13.288 14.451 12.361 1208 HB2 ALA 146 1HB ALA 146 -12.077 14.058 13.581 1209 HB3 ALA 146 2HB ALA 146 -13.337 12.891 13.181 1210 H GLY 147 H GLY 147 -13.167 14.346 9.981 1211 HA2 GLY 147 2HA GLY 147 -13.793 13.643 7.787 1212 HA3 GLY 147 3HA GLY 147 -13.704 11.973 8.318 1213 H LEU 148 H LEU 148 -15.391 14.268 10.336 1214 HA LEU 148 HA LEU 148 -17.878 12.881 10.007 1215 HG LEU 148 HG LEU 148 -17.846 14.128 13.511 1216 HB2 LEU 148 2HB LEU 148 -17.071 15.354 11.523 1217 HB3 LEU 148 3HB LEU 148 -18.755 14.891 11.399 1218 HD11 LEU 148 1HD1 LEU 148 -18.427 11.774 13.401 1219 HD12 LEU 148 2HD1 LEU 148 -18.258 11.791 11.646 1220 HD13 LEU 148 3HD1 LEU 148 -19.537 12.728 12.418 1221 HD21 LEU 148 3HD2 LEU 148 -15.830 12.570 11.891 1222 HD22 LEU 148 1HD2 LEU 148 -16.045 12.484 13.639 1223 HD23 LEU 148 2HD2 LEU 148 -15.488 13.980 12.893 1224 H GLU 149 H GLU 149 -16.470 15.745 8.605 1225 HA GLU 149 HA GLU 149 -18.711 17.033 7.569 1226 HB2 GLU 149 2HB GLU 149 -15.999 16.764 6.244 1227 HB3 GLU 149 3HB GLU 149 -17.204 17.996 5.896 1228 HG2 GLU 149 2HG GLU 149 -15.733 17.642 8.507 1229 HG3 GLU 149 3HG GLU 149 -15.409 18.872 7.288 1230 H HIS 150 H HIS 150 -16.977 14.212 6.375 1231 HA HIS 150 HA HIS 150 -19.208 13.684 4.545 1232 HD1 HIS 150 HD1 HIS 150 -19.601 13.713 1.909 1233 HD2 HIS 150 HD2 HIS 150 -16.314 11.180 2.107 1234 HE1 HIS 150 HE1 HIS 150 -19.951 12.018 0.097 1235 HE2 HIS 150 HE2 HIS 150 -17.888 10.585 0.143 1236 HB2 HIS 150 2HB HIS 150 -17.348 14.640 3.207 1237 HB3 HIS 150 3HB HIS 150 -16.301 13.337 3.762 1238 H HIS 151 H HIS 151 -19.960 12.192 6.051 1239 HA HIS 151 HA HIS 151 -18.370 10.118 7.163 1240 HD1 HIS 151 HD1 HIS 151 -22.118 9.099 5.443 1241 HD2 HIS 151 HD2 HIS 151 -22.303 12.496 7.823 1242 HE1 HIS 151 HE1 HIS 151 -24.192 10.314 4.722 1243 HE2 HIS 151 HE2 HIS 151 -24.348 12.295 6.261 1244 HB2 HIS 151 2HB HIS 151 -20.632 9.106 7.754 1245 HB3 HIS 151 3HB HIS 151 -20.317 10.723 8.374 1246 H HIS 152 H HIS 152 -17.739 8.222 6.348 1247 HA HIS 152 HA HIS 152 -18.254 7.559 3.630 1248 HD1 HIS 152 HD1 HIS 152 -16.878 6.007 2.008 1249 HD2 HIS 152 HD2 HIS 152 -16.729 3.371 5.217 1250 HE1 HIS 152 HE1 HIS 152 -16.694 3.723 0.992 1251 HE2 HIS 152 HE2 HIS 152 -16.399 2.173 2.951 1252 HB2 HIS 152 2HB HIS 152 -16.115 6.987 4.568 1253 HB3 HIS 152 3HB HIS 152 -16.863 6.009 5.828 1254 H HIS 153 H HIS 153 -20.221 6.938 3.044 1255 HA HIS 153 HA HIS 153 -21.808 5.129 4.691 1256 HD1 HIS 153 HD1 HIS 153 -22.396 5.017 0.510 1257 HD2 HIS 153 HD2 HIS 153 -22.233 8.908 1.960 1258 HE1 HIS 153 HE1 HIS 153 -21.889 6.451 -1.480 1259 HE2 HIS 153 HE2 HIS 153 -21.626 8.770 -0.551 1260 HB2 HIS 153 2HB HIS 153 -23.562 5.491 2.939 1261 HB3 HIS 153 3HB HIS 153 -23.010 6.972 3.712 1262 H HIS 154 H HIS 154 -22.556 3.094 4.014 1263 HA HIS 154 HA HIS 154 -21.631 1.958 1.507 1264 HD1 HIS 154 HD1 HIS 154 -21.486 -1.621 3.712 1265 HD2 HIS 154 HD2 HIS 154 -19.108 -0.013 0.702 1266 HE1 HIS 154 HE1 HIS 154 -20.833 -3.561 2.259 1267 HE2 HIS 154 HE2 HIS 154 -19.305 -2.583 0.517 1268 HB2 HIS 154 2HB HIS 154 -19.691 1.571 2.951 1269 HB3 HIS 154 3HB HIS 154 -20.718 0.810 4.162 1270 H HIS 155 H HIS 155 -23.022 1.126 4.679 1271 HA HIS 155 HA HIS 155 -24.728 -0.221 5.323 1272 HD1 HIS 155 HD1 HIS 155 -26.575 1.600 6.138 1273 HD2 HIS 155 HD2 HIS 155 -25.901 3.088 2.320 1274 HE1 HIS 155 HE1 HIS 155 -26.862 4.083 6.326 1275 HE2 HIS 155 HE2 HIS 155 -26.620 4.938 3.974 1276 HB2 HIS 155 2HB HIS 155 -25.885 0.399 2.591 1277 HB3 HIS 155 3HB HIS 155 -26.775 -0.163 4.004
Contact the webmaster for help, if required. Friday, April 19, 2024 3:29:50 AM GMT (wattos1)