NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
479770 | 2kt3 | 16208 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 0.836 -1.332 0.496 2 H2 MET 1 H2 MET 1 0.923 0.335 0.813 3 H3 MET 1 H3 MET 1 2.153 -0.697 1.356 4 HA MET 1 HA MET 1 2.975 0.434 -0.520 5 HB2 MET 1 HB2 MET 1 3.459 -2.010 -0.322 6 HB3 MET 1 HB3 MET 1 2.106 -2.327 -1.398 7 HG2 MET 1 HG2 MET 1 4.095 -0.415 -2.409 8 HG3 MET 1 HG3 MET 1 4.666 -2.070 -2.202 9 HE1 MET 1 HE1 MET 1 2.327 -4.193 -3.723 10 HE2 MET 1 HE2 MET 1 3.677 -3.996 -4.843 11 HE3 MET 1 HE3 MET 1 3.958 -3.947 -3.102 12 H THR 2 H THR 2 0.023 -1.347 -1.460 13 HA THR 2 HA THR 2 -0.288 0.586 -3.662 14 HB THR 2 HB THR 2 -1.972 -1.779 -3.847 15 HG1 THR 2 HG1 THR 2 0.866 -2.119 -3.837 16 HG21 THR 2 HG21 THR 2 -1.104 0.047 -5.572 17 HG22 THR 2 HG22 THR 2 -1.493 -1.597 -6.077 18 HG23 THR 2 HG23 THR 2 0.185 -1.137 -5.791 19 H HIS 3 H HIS 3 -1.186 1.668 -1.396 20 HA HIS 3 HA HIS 3 -4.080 1.479 -1.850 21 HB2 HIS 3 HB2 HIS 3 -4.575 1.296 0.337 22 HB3 HIS 3 HB3 HIS 3 -2.912 0.770 0.519 23 HD1 HIS 3 HD1 HIS 3 -1.239 2.495 1.567 24 HD2 HIS 3 HD2 HIS 3 -5.224 3.702 1.525 25 HE1 HIS 3 HE1 HIS 3 -1.399 4.391 3.213 26 HE2 HIS 3 HE2 HIS 3 -3.783 5.190 3.085 27 H LEU 4 H LEU 4 -4.814 3.217 -2.786 28 HA LEU 4 HA LEU 4 -3.097 5.594 -2.787 29 HB2 LEU 4 HB2 LEU 4 -5.005 6.010 -4.734 30 HB3 LEU 4 HB3 LEU 4 -3.376 5.422 -4.996 31 HG LEU 4 HG LEU 4 -5.337 3.331 -4.323 32 HD11 LEU 4 HD11 LEU 4 -5.552 4.932 -6.865 33 HD12 LEU 4 HD12 LEU 4 -6.243 3.324 -6.646 34 HD13 LEU 4 HD13 LEU 4 -6.804 4.669 -5.652 35 HD21 LEU 4 HD21 LEU 4 -4.148 2.101 -5.980 36 HD22 LEU 4 HD22 LEU 4 -3.405 3.565 -6.626 37 HD23 LEU 4 HD23 LEU 4 -2.954 2.977 -5.025 38 H LYS 5 H LYS 5 -4.211 7.698 -2.994 39 HA LYS 5 HA LYS 5 -6.536 7.785 -1.195 40 HB2 LYS 5 HB2 LYS 5 -4.224 9.643 -1.644 41 HB3 LYS 5 HB3 LYS 5 -5.737 10.263 -0.997 42 HG2 LYS 5 HG2 LYS 5 -5.544 8.493 0.798 43 HG3 LYS 5 HG3 LYS 5 -3.897 8.226 0.221 44 HD2 LYS 5 HD2 LYS 5 -4.841 10.980 0.924 45 HD3 LYS 5 HD3 LYS 5 -4.289 9.873 2.181 46 HE2 LYS 5 HE2 LYS 5 -2.305 9.631 0.338 47 HE3 LYS 5 HE3 LYS 5 -2.767 11.320 0.134 48 HZ1 LYS 5 HZ1 LYS 5 -1.032 10.470 1.971 49 HZ2 LYS 5 HZ2 LYS 5 -2.466 10.424 2.875 50 HZ3 LYS 5 HZ3 LYS 5 -1.975 11.874 2.148 51 H ILE 6 H ILE 6 -8.402 8.616 -1.944 52 HA ILE 6 HA ILE 6 -8.449 9.534 -4.712 53 HB ILE 6 HB ILE 6 -10.840 9.141 -2.910 54 HG12 ILE 6 HG12 ILE 6 -9.317 7.151 -4.593 55 HG13 ILE 6 HG13 ILE 6 -9.775 7.017 -2.900 56 HG21 ILE 6 HG21 ILE 6 -11.274 10.444 -4.906 57 HG22 ILE 6 HG22 ILE 6 -10.522 9.204 -5.910 58 HG23 ILE 6 HG23 ILE 6 -12.025 8.855 -5.054 59 HD11 ILE 6 HD11 ILE 6 -11.115 5.546 -4.266 60 HD12 ILE 6 HD12 ILE 6 -12.127 6.811 -3.570 61 HD13 ILE 6 HD13 ILE 6 -11.638 6.903 -5.264 62 H THR 7 H THR 7 -9.123 11.535 -5.353 63 HA THR 7 HA THR 7 -9.536 13.556 -3.247 64 HB THR 7 HB THR 7 -8.238 14.924 -5.271 65 HG1 THR 7 HG1 THR 7 -7.546 12.273 -5.316 66 HG21 THR 7 HG21 THR 7 -6.840 15.509 -3.593 67 HG22 THR 7 HG22 THR 7 -6.456 13.833 -3.202 68 HG23 THR 7 HG23 THR 7 -7.936 14.565 -2.583 69 H GLY 8 H GLY 8 -9.875 12.647 -6.635 70 HA2 GLY 8 HA3 GLY 8 -11.739 14.748 -7.241 71 HA3 GLY 8 HA2 GLY 8 -11.343 13.369 -8.261 72 H MET 9 H MET 9 -12.886 14.032 -5.161 73 HA MET 9 HA MET 9 -15.052 13.711 -4.478 74 HB2 MET 9 HB2 MET 9 -15.362 12.251 -7.098 75 HB3 MET 9 HB3 MET 9 -16.634 12.307 -5.886 76 HG2 MET 9 HG2 MET 9 -15.462 14.890 -6.701 77 HG3 MET 9 HG3 MET 9 -16.446 14.048 -7.895 78 HE1 MET 9 HE1 MET 9 -18.054 16.726 -7.338 79 HE2 MET 9 HE2 MET 9 -18.131 17.074 -5.611 80 HE3 MET 9 HE3 MET 9 -16.570 16.807 -6.388 81 H THR 10 H THR 10 -15.061 12.562 -2.720 82 HA THR 10 HA THR 10 -13.886 9.871 -2.768 83 HB THR 10 HB THR 10 -14.025 10.615 -0.130 84 HG1 THR 10 HG1 THR 10 -12.901 12.898 -0.723 85 HG21 THR 10 HG21 THR 10 -11.799 11.177 -2.092 86 HG22 THR 10 HG22 THR 10 -12.088 9.646 -1.265 87 HG23 THR 10 HG23 THR 10 -11.626 11.075 -0.340 88 H CYS 11 H CYS 11 -16.835 11.509 -2.256 89 HA CYS 11 HA CYS 11 -18.075 10.081 -0.230 90 HB2 CYS 11 HB2 CYS 11 -20.060 10.724 -2.116 91 HB3 CYS 11 HB3 CYS 11 -19.589 11.634 -0.685 92 H ASP 12 H ASP 12 -20.072 8.726 -0.506 93 HA ASP 12 HA ASP 12 -19.231 6.233 -1.630 94 HB2 ASP 12 HB2 ASP 12 -20.404 6.265 0.491 95 HB3 ASP 12 HB3 ASP 12 -21.791 7.054 -0.247 96 H SER 13 H SER 13 -19.135 6.966 -3.830 97 HA SER 13 HA SER 13 -21.282 5.904 -5.342 98 HB2 SER 13 HB2 SER 13 -20.846 8.901 -5.429 99 HB3 SER 13 HB3 SER 13 -21.577 8.020 -6.768 100 HG SER 13 HG SER 13 -22.632 7.581 -4.225 101 H CYS 14 H CYS 14 -18.740 8.345 -5.726 102 HA CYS 14 HA CYS 14 -17.553 7.176 -8.007 103 HB2 CYS 14 HB2 CYS 14 -15.825 8.754 -6.209 104 HB3 CYS 14 HB3 CYS 14 -16.181 8.984 -7.921 105 H ALA 15 H ALA 15 -16.830 7.034 -4.540 106 HA ALA 15 HA ALA 15 -14.748 5.088 -4.813 107 HB1 ALA 15 HB1 ALA 15 -16.257 5.442 -2.264 108 HB2 ALA 15 HB2 ALA 15 -14.531 5.202 -2.528 109 HB3 ALA 15 HB3 ALA 15 -15.264 6.770 -2.864 110 H ALA 16 H ALA 16 -16.748 4.177 -6.304 111 HA ALA 16 HA ALA 16 -17.327 1.606 -5.199 112 HB1 ALA 16 HB1 ALA 16 -19.817 1.823 -5.623 113 HB2 ALA 16 HB2 ALA 16 -19.208 2.652 -4.191 114 HB3 ALA 16 HB3 ALA 16 -19.570 3.570 -5.653 115 H HIS 17 H HIS 17 -18.353 3.944 -7.687 116 HA HIS 17 HA HIS 17 -18.447 2.047 -9.788 117 HB2 HIS 17 HB2 HIS 17 -18.983 4.811 -9.507 118 HB3 HIS 17 HB3 HIS 17 -17.786 4.665 -10.791 119 HD1 HIS 17 HD1 HIS 17 -20.914 5.405 -11.096 120 HD2 HIS 17 HD2 HIS 17 -19.096 1.760 -11.934 121 HE1 HIS 17 HE1 HIS 17 -22.451 4.237 -12.702 122 HE2 HIS 17 HE2 HIS 17 -21.462 1.935 -12.964 123 H VAL 18 H VAL 18 -15.918 4.036 -8.439 124 HA VAL 18 HA VAL 18 -13.913 3.477 -10.348 125 HB VAL 18 HB VAL 18 -13.857 4.347 -7.470 126 HG11 VAL 18 HG11 VAL 18 -11.789 3.634 -7.111 127 HG12 VAL 18 HG12 VAL 18 -11.781 2.842 -8.687 128 HG13 VAL 18 HG13 VAL 18 -11.231 4.512 -8.537 129 HG21 VAL 18 HG21 VAL 18 -14.226 5.787 -9.651 130 HG22 VAL 18 HG22 VAL 18 -13.286 6.398 -8.288 131 HG23 VAL 18 HG23 VAL 18 -12.463 5.732 -9.699 132 H LYS 19 H LYS 19 -14.989 1.863 -7.405 133 HA LYS 19 HA LYS 19 -13.088 -0.205 -7.367 134 HB2 LYS 19 HB2 LYS 19 -14.466 0.173 -5.421 135 HB3 LYS 19 HB3 LYS 19 -15.933 -0.102 -6.344 136 HG2 LYS 19 HG2 LYS 19 -14.470 -2.418 -6.691 137 HG3 LYS 19 HG3 LYS 19 -14.199 -1.981 -5.003 138 HD2 LYS 19 HD2 LYS 19 -16.882 -1.540 -5.292 139 HD3 LYS 19 HD3 LYS 19 -16.622 -2.945 -6.329 140 HE2 LYS 19 HE2 LYS 19 -15.325 -2.971 -3.675 141 HE3 LYS 19 HE3 LYS 19 -17.076 -3.135 -3.708 142 HZ1 LYS 19 HZ1 LYS 19 -16.925 -5.206 -4.494 143 HZ2 LYS 19 HZ2 LYS 19 -15.294 -5.144 -4.051 144 HZ3 LYS 19 HZ3 LYS 19 -15.745 -4.793 -5.645 145 H GLU 20 H GLU 20 -16.269 0.084 -8.882 146 HA GLU 20 HA GLU 20 -16.452 -2.499 -9.949 147 HB2 GLU 20 HB2 GLU 20 -17.680 0.139 -10.540 148 HB3 GLU 20 HB3 GLU 20 -17.776 -1.076 -11.807 149 HG2 GLU 20 HG2 GLU 20 -19.050 -2.516 -10.500 150 HG3 GLU 20 HG3 GLU 20 -18.602 -1.704 -9.001 151 H ALA 21 H ALA 21 -15.315 0.499 -11.494 152 HA ALA 21 HA ALA 21 -14.432 -0.613 -13.895 153 HB1 ALA 21 HB1 ALA 21 -14.148 1.899 -12.488 154 HB2 ALA 21 HB2 ALA 21 -12.684 1.480 -13.379 155 HB3 ALA 21 HB3 ALA 21 -14.232 1.582 -14.219 156 H LEU 22 H LEU 22 -12.776 -0.246 -10.798 157 HA LEU 22 HA LEU 22 -10.228 -1.101 -11.660 158 HB2 LEU 22 HB2 LEU 22 -11.548 -0.489 -9.148 159 HB3 LEU 22 HB3 LEU 22 -10.452 -1.847 -8.990 160 HG LEU 22 HG LEU 22 -8.578 -0.573 -9.370 161 HD11 LEU 22 HD11 LEU 22 -9.110 1.892 -10.373 162 HD12 LEU 22 HD12 LEU 22 -8.621 0.501 -11.340 163 HD13 LEU 22 HD13 LEU 22 -10.329 0.917 -11.192 164 HD21 LEU 22 HD21 LEU 22 -9.287 0.277 -7.339 165 HD22 LEU 22 HD22 LEU 22 -9.027 1.737 -8.293 166 HD23 LEU 22 HD23 LEU 22 -10.661 1.119 -8.054 167 H GLU 23 H GLU 23 -12.834 -2.893 -9.990 168 HA GLU 23 HA GLU 23 -11.519 -5.378 -10.051 169 HB2 GLU 23 HB2 GLU 23 -14.145 -4.351 -9.325 170 HB3 GLU 23 HB3 GLU 23 -14.222 -5.968 -10.014 171 HG2 GLU 23 HG2 GLU 23 -13.204 -6.908 -8.256 172 HG3 GLU 23 HG3 GLU 23 -12.121 -5.548 -8.007 173 H LYS 24 H LYS 24 -13.268 -3.634 -12.461 174 HA LYS 24 HA LYS 24 -13.756 -5.859 -14.190 175 HB2 LYS 24 HB2 LYS 24 -13.906 -2.895 -14.422 176 HB3 LYS 24 HB3 LYS 24 -13.799 -3.824 -15.910 177 HG2 LYS 24 HG2 LYS 24 -15.754 -4.935 -14.098 178 HG3 LYS 24 HG3 LYS 24 -16.090 -3.245 -14.478 179 HD2 LYS 24 HD2 LYS 24 -15.309 -4.882 -16.780 180 HD3 LYS 24 HD3 LYS 24 -16.826 -5.364 -16.016 181 HE2 LYS 24 HE2 LYS 24 -17.771 -3.214 -16.323 182 HE3 LYS 24 HE3 LYS 24 -16.214 -2.519 -16.772 183 HZ1 LYS 24 HZ1 LYS 24 -16.256 -4.005 -18.747 184 HZ2 LYS 24 HZ2 LYS 24 -17.471 -2.823 -18.739 185 HZ3 LYS 24 HZ3 LYS 24 -17.850 -4.429 -18.344 186 H VAL 25 H VAL 25 -10.986 -4.051 -13.376 187 HA VAL 25 HA VAL 25 -9.544 -4.613 -15.828 188 HB VAL 25 HB VAL 25 -8.582 -3.510 -13.172 189 HG11 VAL 25 HG11 VAL 25 -6.666 -4.451 -14.124 190 HG12 VAL 25 HG12 VAL 25 -7.145 -4.007 -15.762 191 HG13 VAL 25 HG13 VAL 25 -6.606 -2.763 -14.632 192 HG21 VAL 25 HG21 VAL 25 -9.119 -2.118 -15.795 193 HG22 VAL 25 HG22 VAL 25 -10.122 -2.019 -14.347 194 HG23 VAL 25 HG23 VAL 25 -8.484 -1.364 -14.332 195 HA PRO 26 HA PRO 26 -8.476 -8.723 -14.437 196 HB2 PRO 26 HB2 PRO 26 -6.601 -9.196 -16.390 197 HB3 PRO 26 HB3 PRO 26 -8.340 -9.387 -16.629 198 HG2 PRO 26 HG2 PRO 26 -6.559 -7.106 -17.385 199 HG3 PRO 26 HG3 PRO 26 -7.894 -7.836 -18.298 200 HD2 PRO 26 HD2 PRO 26 -8.168 -5.514 -16.950 201 HD3 PRO 26 HD3 PRO 26 -9.502 -6.676 -17.113 202 H GLY 27 H GLY 27 -7.016 -9.405 -12.996 203 HA2 GLY 27 HA3 GLY 27 -4.743 -9.561 -12.175 204 HA3 GLY 27 HA2 GLY 27 -4.459 -7.939 -12.800 205 H VAL 28 H VAL 28 -7.348 -7.501 -11.753 206 HA VAL 28 HA VAL 28 -6.553 -6.656 -9.075 207 HB VAL 28 HB VAL 28 -9.027 -6.075 -10.704 208 HG11 VAL 28 HG11 VAL 28 -9.978 -5.471 -8.777 209 HG12 VAL 28 HG12 VAL 28 -8.474 -5.698 -7.887 210 HG13 VAL 28 HG13 VAL 28 -8.798 -4.163 -8.692 211 HG21 VAL 28 HG21 VAL 28 -7.463 -3.768 -10.077 212 HG22 VAL 28 HG22 VAL 28 -6.430 -4.985 -10.827 213 HG23 VAL 28 HG23 VAL 28 -7.884 -4.430 -11.656 214 H GLN 29 H GLN 29 -7.149 -7.786 -7.308 215 HA GLN 29 HA GLN 29 -9.108 -9.933 -7.637 216 HB2 GLN 29 HB2 GLN 29 -6.873 -9.396 -5.783 217 HB3 GLN 29 HB3 GLN 29 -8.279 -10.164 -5.058 218 HG2 GLN 29 HG2 GLN 29 -7.023 -11.977 -5.689 219 HG3 GLN 29 HG3 GLN 29 -8.101 -11.795 -7.073 220 HE21 GLN 29 HE21 GLN 29 -7.092 -12.099 -8.917 221 HE22 GLN 29 HE22 GLN 29 -5.463 -11.641 -9.272 222 H SER 30 H SER 30 -8.495 -7.106 -5.587 223 HA SER 30 HA SER 30 -11.346 -6.698 -5.282 224 HB2 SER 30 HB2 SER 30 -9.572 -7.518 -2.996 225 HB3 SER 30 HB3 SER 30 -10.973 -6.487 -2.714 226 HG SER 30 HG SER 30 -12.080 -8.264 -4.041 227 H ALA 31 H ALA 31 -11.801 -4.579 -5.207 228 HA ALA 31 HA ALA 31 -9.606 -2.717 -4.580 229 HB1 ALA 31 HB1 ALA 31 -12.091 -1.630 -5.721 230 HB2 ALA 31 HB2 ALA 31 -10.410 -1.294 -6.134 231 HB3 ALA 31 HB3 ALA 31 -11.202 -2.735 -6.769 232 H LEU 32 H LEU 32 -9.742 -2.732 -2.356 233 HA LEU 32 HA LEU 32 -12.286 -2.439 -1.024 234 HB2 LEU 32 HB2 LEU 32 -9.442 -2.661 -0.070 235 HB3 LEU 32 HB3 LEU 32 -10.756 -2.300 1.033 236 HG LEU 32 HG LEU 32 -11.371 -4.617 -0.588 237 HD11 LEU 32 HD11 LEU 32 -9.512 -5.820 -0.503 238 HD12 LEU 32 HD12 LEU 32 -8.658 -4.400 0.103 239 HD13 LEU 32 HD13 LEU 32 -9.371 -5.551 1.234 240 HD21 LEU 32 HD21 LEU 32 -11.804 -5.595 1.602 241 HD22 LEU 32 HD22 LEU 32 -11.019 -4.222 2.382 242 HD23 LEU 32 HD23 LEU 32 -12.516 -3.987 1.480 243 H VAL 33 H VAL 33 -12.838 -0.422 -2.025 244 HA VAL 33 HA VAL 33 -11.383 1.950 -1.235 245 HB VAL 33 HB VAL 33 -13.479 3.082 -2.269 246 HG11 VAL 33 HG11 VAL 33 -12.584 2.431 -4.617 247 HG12 VAL 33 HG12 VAL 33 -11.538 3.300 -3.494 248 HG13 VAL 33 HG13 VAL 33 -11.352 1.560 -3.706 249 HG21 VAL 33 HG21 VAL 33 -14.360 0.445 -2.325 250 HG22 VAL 33 HG22 VAL 33 -15.097 1.826 -3.139 251 HG23 VAL 33 HG23 VAL 33 -13.936 0.814 -3.997 252 H SER 34 H SER 34 -11.939 3.378 0.333 253 HA SER 34 HA SER 34 -14.365 2.788 1.906 254 HB2 SER 34 HB2 SER 34 -12.126 4.100 3.321 255 HB3 SER 34 HB3 SER 34 -13.203 2.811 3.861 256 HG SER 34 HG SER 34 -11.746 1.783 1.943 257 H TYR 35 H TYR 35 -15.769 4.369 1.517 258 HA TYR 35 HA TYR 35 -15.001 6.880 0.455 259 HB2 TYR 35 HB2 TYR 35 -17.653 7.113 1.423 260 HB3 TYR 35 HB3 TYR 35 -17.100 6.893 -0.229 261 HD1 TYR 35 HD1 TYR 35 -16.794 4.532 -1.101 262 HD2 TYR 35 HD2 TYR 35 -18.830 5.393 2.536 263 HE1 TYR 35 HE1 TYR 35 -17.891 2.336 -1.199 264 HE2 TYR 35 HE2 TYR 35 -19.929 3.195 2.444 265 HH TYR 35 HH TYR 35 -20.558 1.530 0.653 266 HA PRO 36 HA PRO 36 -16.112 8.718 4.791 267 HB2 PRO 36 HB2 PRO 36 -15.847 7.097 6.948 268 HB3 PRO 36 HB3 PRO 36 -17.373 7.292 6.077 269 HG2 PRO 36 HG2 PRO 36 -15.336 5.108 5.865 270 HG3 PRO 36 HG3 PRO 36 -17.105 4.985 5.935 271 HD2 PRO 36 HD2 PRO 36 -15.731 4.810 3.613 272 HD3 PRO 36 HD3 PRO 36 -17.356 5.514 3.706 273 H LYS 37 H LYS 37 -13.546 7.204 3.587 274 HA LYS 37 HA LYS 37 -11.710 8.490 5.480 275 HB2 LYS 37 HB2 LYS 37 -11.904 5.677 4.938 276 HB3 LYS 37 HB3 LYS 37 -10.349 6.276 4.376 277 HG2 LYS 37 HG2 LYS 37 -9.626 6.099 6.465 278 HG3 LYS 37 HG3 LYS 37 -10.700 7.436 6.880 279 HD2 LYS 37 HD2 LYS 37 -12.351 6.043 7.687 280 HD3 LYS 37 HD3 LYS 37 -11.787 4.657 6.752 281 HE2 LYS 37 HE2 LYS 37 -10.035 4.222 8.240 282 HE3 LYS 37 HE3 LYS 37 -10.106 5.840 8.934 283 HZ1 LYS 37 HZ1 LYS 37 -11.065 4.449 10.522 284 HZ2 LYS 37 HZ2 LYS 37 -11.957 3.579 9.376 285 HZ3 LYS 37 HZ3 LYS 37 -12.390 5.176 9.757 286 H GLY 38 H GLY 38 -12.405 7.354 2.248 287 HA2 GLY 38 HA3 GLY 38 -11.887 8.442 0.262 288 HA3 GLY 38 HA2 GLY 38 -10.816 9.513 1.152 289 H THR 39 H THR 39 -10.630 6.058 1.480 290 HA THR 39 HA THR 39 -8.007 6.156 0.153 291 HB THR 39 HB THR 39 -7.895 3.993 1.851 292 HG1 THR 39 HG1 THR 39 -8.696 4.810 3.849 293 HG21 THR 39 HG21 THR 39 -6.671 5.759 3.357 294 HG22 THR 39 HG22 THR 39 -6.950 6.822 1.977 295 HG23 THR 39 HG23 THR 39 -6.022 5.336 1.775 296 H ALA 40 H ALA 40 -7.466 4.593 -1.271 297 HA ALA 40 HA ALA 40 -9.474 2.502 -1.799 298 HB1 ALA 40 HB1 ALA 40 -9.408 3.943 -3.677 299 HB2 ALA 40 HB2 ALA 40 -7.645 3.974 -3.679 300 HB3 ALA 40 HB3 ALA 40 -8.502 2.500 -4.128 301 H GLN 41 H GLN 41 -8.717 0.755 -0.731 302 HA GLN 41 HA GLN 41 -5.875 0.094 -0.845 303 HB2 GLN 41 HB2 GLN 41 -8.111 -1.425 0.509 304 HB3 GLN 41 HB3 GLN 41 -6.384 -1.638 0.761 305 HG2 GLN 41 HG2 GLN 41 -6.188 0.279 2.011 306 HG3 GLN 41 HG3 GLN 41 -7.613 1.023 1.287 307 HE21 GLN 41 HE21 GLN 41 -9.700 -0.130 1.783 308 HE22 GLN 41 HE22 GLN 41 -9.911 -0.678 3.410 309 H LEU 42 H LEU 42 -5.336 -0.716 -2.790 310 HA LEU 42 HA LEU 42 -7.240 -2.424 -4.184 311 HB2 LEU 42 HB2 LEU 42 -4.985 -0.703 -4.953 312 HB3 LEU 42 HB3 LEU 42 -5.111 -2.198 -5.862 313 HG LEU 42 HG LEU 42 -7.535 -0.481 -5.535 314 HD11 LEU 42 HD11 LEU 42 -5.119 0.126 -7.152 315 HD12 LEU 42 HD12 LEU 42 -6.699 0.409 -7.881 316 HD13 LEU 42 HD13 LEU 42 -6.265 1.218 -6.374 317 HD21 LEU 42 HD21 LEU 42 -8.405 -1.878 -7.033 318 HD22 LEU 42 HD22 LEU 42 -7.017 -1.701 -8.108 319 HD23 LEU 42 HD23 LEU 42 -6.976 -2.887 -6.802 320 H ALA 43 H ALA 43 -7.145 -4.519 -3.964 321 HA ALA 43 HA ALA 43 -4.624 -5.832 -3.298 322 HB1 ALA 43 HB1 ALA 43 -7.080 -7.439 -3.664 323 HB2 ALA 43 HB2 ALA 43 -5.844 -7.524 -2.408 324 HB3 ALA 43 HB3 ALA 43 -7.095 -6.285 -2.331 325 H ILE 44 H ILE 44 -3.716 -5.350 -5.348 326 HA ILE 44 HA ILE 44 -4.856 -6.757 -7.657 327 HB ILE 44 HB ILE 44 -2.925 -5.492 -8.855 328 HG12 ILE 44 HG12 ILE 44 -2.990 -3.205 -7.222 329 HG13 ILE 44 HG13 ILE 44 -2.647 -4.549 -6.136 330 HG21 ILE 44 HG21 ILE 44 -4.344 -3.513 -9.134 331 HG22 ILE 44 HG22 ILE 44 -5.285 -5.006 -9.181 332 HG23 ILE 44 HG23 ILE 44 -5.294 -4.005 -7.728 333 HD11 ILE 44 HD11 ILE 44 -1.113 -4.167 -8.678 334 HD12 ILE 44 HD12 ILE 44 -0.679 -3.317 -7.195 335 HD13 ILE 44 HD13 ILE 44 -0.666 -5.080 -7.237 336 H VAL 45 H VAL 45 -3.343 -7.905 -9.088 337 HA VAL 45 HA VAL 45 -1.509 -9.592 -7.683 338 HB VAL 45 HB VAL 45 -2.099 -9.264 -10.610 339 HG11 VAL 45 HG11 VAL 45 0.143 -10.557 -9.359 340 HG12 VAL 45 HG12 VAL 45 -0.846 -11.724 -10.237 341 HG13 VAL 45 HG13 VAL 45 -0.197 -10.312 -11.072 342 HG21 VAL 45 HG21 VAL 45 -3.629 -10.430 -8.730 343 HG22 VAL 45 HG22 VAL 45 -3.599 -10.931 -10.420 344 HG23 VAL 45 HG23 VAL 45 -2.633 -11.798 -9.223 345 HA PRO 46 HA PRO 46 2.132 -6.942 -7.827 346 HB2 PRO 46 HB2 PRO 46 3.365 -9.668 -7.999 347 HB3 PRO 46 HB3 PRO 46 3.813 -8.294 -6.980 348 HG2 PRO 46 HG2 PRO 46 2.467 -10.330 -5.950 349 HG3 PRO 46 HG3 PRO 46 2.074 -8.662 -5.485 350 HD2 PRO 46 HD2 PRO 46 0.607 -10.524 -7.297 351 HD3 PRO 46 HD3 PRO 46 -0.027 -9.284 -6.196 352 H GLY 47 H GLY 47 3.119 -6.074 -9.546 353 HA2 GLY 47 HA3 GLY 47 4.285 -6.435 -11.696 354 HA3 GLY 47 HA2 GLY 47 3.026 -7.605 -12.075 355 H THR 48 H THR 48 0.831 -6.147 -11.070 356 HA THR 48 HA THR 48 0.366 -4.266 -13.166 357 HB THR 48 HB THR 48 -1.407 -4.242 -10.786 358 HG1 THR 48 HG1 THR 48 -1.101 -6.419 -10.780 359 HG21 THR 48 HG21 THR 48 -1.619 -3.318 -13.326 360 HG22 THR 48 HG22 THR 48 -2.999 -3.709 -12.299 361 HG23 THR 48 HG23 THR 48 -2.418 -4.885 -13.477 362 H SER 49 H SER 49 1.107 -2.294 -13.217 363 HA SER 49 HA SER 49 2.492 -1.138 -11.088 364 HB2 SER 49 HB2 SER 49 1.667 0.806 -13.064 365 HB3 SER 49 HB3 SER 49 3.276 0.153 -12.744 366 HG SER 49 HG SER 49 2.903 -0.605 -14.718 367 HA PRO 50 HA PRO 50 -0.854 0.640 -8.739 368 HB2 PRO 50 HB2 PRO 50 1.271 2.479 -7.792 369 HB3 PRO 50 HB3 PRO 50 0.180 1.454 -6.857 370 HG2 PRO 50 HG2 PRO 50 2.753 0.809 -7.137 371 HG3 PRO 50 HG3 PRO 50 1.492 -0.438 -7.146 372 HD2 PRO 50 HD2 PRO 50 3.005 0.746 -9.441 373 HD3 PRO 50 HD3 PRO 50 2.498 -0.934 -9.169 374 H ASP 51 H ASP 51 1.505 2.673 -10.401 375 HA ASP 51 HA ASP 51 -0.099 5.003 -10.488 376 HB2 ASP 51 HB2 ASP 51 2.306 5.101 -10.841 377 HB3 ASP 51 HB3 ASP 51 2.165 4.098 -12.281 378 H ALA 52 H ALA 52 -0.195 2.046 -12.218 379 HA ALA 52 HA ALA 52 -1.472 3.092 -14.584 380 HB1 ALA 52 HB1 ALA 52 -1.280 1.016 -15.441 381 HB2 ALA 52 HB2 ALA 52 -0.154 0.786 -14.102 382 HB3 ALA 52 HB3 ALA 52 -1.823 0.236 -13.956 383 H LEU 53 H LEU 53 -2.456 1.572 -11.585 384 HA LEU 53 HA LEU 53 -5.228 1.416 -12.231 385 HB2 LEU 53 HB2 LEU 53 -3.737 1.300 -9.633 386 HB3 LEU 53 HB3 LEU 53 -5.476 1.124 -9.736 387 HG LEU 53 HG LEU 53 -4.044 -0.672 -11.532 388 HD11 LEU 53 HD11 LEU 53 -2.362 -1.062 -10.057 389 HD12 LEU 53 HD12 LEU 53 -3.316 -0.545 -8.665 390 HD13 LEU 53 HD13 LEU 53 -3.579 -2.139 -9.371 391 HD21 LEU 53 HD21 LEU 53 -6.093 -1.065 -9.359 392 HD22 LEU 53 HD22 LEU 53 -6.413 -0.872 -11.084 393 HD23 LEU 53 HD23 LEU 53 -5.564 -2.301 -10.500 394 H THR 54 H THR 54 -3.186 3.639 -10.419 395 HA THR 54 HA THR 54 -5.109 5.520 -9.675 396 HB THR 54 HB THR 54 -2.301 6.226 -10.511 397 HG1 THR 54 HG1 THR 54 -2.076 4.466 -9.117 398 HG21 THR 54 HG21 THR 54 -3.016 8.222 -9.790 399 HG22 THR 54 HG22 THR 54 -2.914 7.535 -8.170 400 HG23 THR 54 HG23 THR 54 -4.454 7.534 -9.033 401 H ALA 55 H ALA 55 -3.225 5.159 -12.648 402 HA ALA 55 HA ALA 55 -4.200 7.453 -13.975 403 HB1 ALA 55 HB1 ALA 55 -3.524 5.173 -15.687 404 HB2 ALA 55 HB2 ALA 55 -2.867 6.810 -15.663 405 HB3 ALA 55 HB3 ALA 55 -2.280 5.605 -14.514 406 H ALA 56 H ALA 56 -5.333 4.121 -13.777 407 HA ALA 56 HA ALA 56 -7.406 4.313 -15.677 408 HB1 ALA 56 HB1 ALA 56 -8.434 2.440 -14.182 409 HB2 ALA 56 HB2 ALA 56 -6.940 2.129 -15.065 410 HB3 ALA 56 HB3 ALA 56 -6.883 2.509 -13.345 411 H VAL 57 H VAL 57 -7.294 5.026 -12.222 412 HA VAL 57 HA VAL 57 -10.034 5.717 -11.960 413 HB VAL 57 HB VAL 57 -7.677 6.580 -10.271 414 HG11 VAL 57 HG11 VAL 57 -9.906 6.559 -8.661 415 HG12 VAL 57 HG12 VAL 57 -9.135 7.992 -9.341 416 HG13 VAL 57 HG13 VAL 57 -10.506 7.253 -10.168 417 HG21 VAL 57 HG21 VAL 57 -7.984 4.725 -8.947 418 HG22 VAL 57 HG22 VAL 57 -9.655 4.501 -9.462 419 HG23 VAL 57 HG23 VAL 57 -8.333 4.069 -10.545 420 H ALA 58 H ALA 58 -7.069 7.526 -12.638 421 HA ALA 58 HA ALA 58 -8.239 10.099 -12.693 422 HB1 ALA 58 HB1 ALA 58 -6.098 10.639 -12.930 423 HB2 ALA 58 HB2 ALA 58 -5.690 8.951 -13.238 424 HB3 ALA 58 HB3 ALA 58 -6.128 10.011 -14.578 425 H GLY 59 H GLY 59 -7.711 7.673 -15.222 426 HA2 GLY 59 HA3 GLY 59 -8.892 9.200 -17.319 427 HA3 GLY 59 HA2 GLY 59 -8.573 7.472 -17.344 428 H LEU 60 H LEU 60 -10.201 7.342 -14.733 429 HA LEU 60 HA LEU 60 -12.754 6.849 -15.938 430 HB2 LEU 60 HB2 LEU 60 -11.456 6.236 -13.489 431 HB3 LEU 60 HB3 LEU 60 -12.980 7.014 -13.120 432 HG LEU 60 HG LEU 60 -13.071 4.525 -13.220 433 HD11 LEU 60 HD11 LEU 60 -14.792 6.207 -15.001 434 HD12 LEU 60 HD12 LEU 60 -15.110 4.492 -14.743 435 HD13 LEU 60 HD13 LEU 60 -15.132 5.607 -13.377 436 HD21 LEU 60 HD21 LEU 60 -13.219 3.555 -15.533 437 HD22 LEU 60 HD22 LEU 60 -12.486 5.047 -16.118 438 HD23 LEU 60 HD23 LEU 60 -11.601 4.011 -14.999 439 H GLY 61 H GLY 61 -11.269 9.672 -14.986 440 HA2 GLY 61 HA3 GLY 61 -12.358 11.765 -15.394 441 HA3 GLY 61 HA2 GLY 61 -13.879 11.027 -14.911 442 H TYR 62 H TYR 62 -11.840 9.866 -12.735 443 HA TYR 62 HA TYR 62 -12.398 12.042 -10.846 444 HB2 TYR 62 HB2 TYR 62 -11.699 9.161 -10.217 445 HB3 TYR 62 HB3 TYR 62 -12.257 10.388 -9.082 446 HD1 TYR 62 HD2 TYR 62 -14.613 11.353 -9.453 447 HD2 TYR 62 HD1 TYR 62 -13.242 7.776 -11.301 448 HE1 TYR 62 HE2 TYR 62 -16.944 10.673 -9.847 449 HE2 TYR 62 HE1 TYR 62 -15.568 7.087 -11.704 450 HH TYR 62 HH TYR 62 -18.127 9.066 -11.629 451 H LYS 63 H LYS 63 -10.644 11.802 -8.916 452 HA LYS 63 HA LYS 63 -8.004 11.667 -10.187 453 HB2 LYS 63 HB2 LYS 63 -9.131 14.051 -9.610 454 HB3 LYS 63 HB3 LYS 63 -8.355 13.707 -8.069 455 HG2 LYS 63 HG2 LYS 63 -6.402 13.108 -9.924 456 HG3 LYS 63 HG3 LYS 63 -7.192 14.537 -10.590 457 HD2 LYS 63 HD2 LYS 63 -6.414 15.880 -8.959 458 HD3 LYS 63 HD3 LYS 63 -6.658 14.662 -7.706 459 HE2 LYS 63 HE2 LYS 63 -4.456 14.356 -7.686 460 HE3 LYS 63 HE3 LYS 63 -4.599 13.667 -9.302 461 HZ1 LYS 63 HZ1 LYS 63 -4.176 15.788 -10.271 462 HZ2 LYS 63 HZ2 LYS 63 -2.962 15.500 -9.121 463 HZ3 LYS 63 HZ3 LYS 63 -4.232 16.566 -8.767 464 H ALA 64 H ALA 64 -6.612 10.473 -9.145 465 HA ALA 64 HA ALA 64 -6.844 10.165 -6.242 466 HB1 ALA 64 HB1 ALA 64 -7.332 7.994 -6.341 467 HB2 ALA 64 HB2 ALA 64 -7.501 8.138 -8.090 468 HB3 ALA 64 HB3 ALA 64 -5.945 7.697 -7.388 469 H THR 65 H THR 65 -4.787 9.284 -5.321 470 HA THR 65 HA THR 65 -2.467 9.637 -7.076 471 HB THR 65 HB THR 65 -1.823 10.663 -4.472 472 HG1 THR 65 HG1 THR 65 -4.164 11.638 -5.693 473 HG21 THR 65 HG21 THR 65 -1.858 11.832 -7.253 474 HG22 THR 65 HG22 THR 65 -0.480 11.143 -6.396 475 HG23 THR 65 HG23 THR 65 -1.187 12.666 -5.854 476 H LEU 66 H LEU 66 -0.952 8.118 -6.789 477 HA LEU 66 HA LEU 66 -1.327 6.039 -4.875 478 HB2 LEU 66 HB2 LEU 66 -0.140 5.975 -7.201 479 HB3 LEU 66 HB3 LEU 66 1.266 6.521 -6.314 480 HG LEU 66 HG LEU 66 0.630 3.918 -6.759 481 HD11 LEU 66 HD11 LEU 66 2.476 5.414 -5.133 482 HD12 LEU 66 HD12 LEU 66 2.077 3.868 -4.384 483 HD13 LEU 66 HD13 LEU 66 2.722 3.913 -6.025 484 HD21 LEU 66 HD21 LEU 66 0.083 3.065 -4.410 485 HD22 LEU 66 HD22 LEU 66 -0.525 4.690 -4.098 486 HD23 LEU 66 HD23 LEU 66 -1.248 3.707 -5.374 487 H ALA 67 H ALA 67 -1.226 6.708 -2.833 488 HA ALA 67 HA ALA 67 1.331 7.660 -1.830 489 HB1 ALA 67 HB1 ALA 67 -1.282 9.057 -1.235 490 HB2 ALA 67 HB2 ALA 67 0.278 9.420 -0.495 491 HB3 ALA 67 HB3 ALA 67 0.034 9.702 -2.219 492 H ASP 68 H ASP 68 1.749 5.925 -0.643 493 HA ASP 68 HA ASP 68 -0.261 4.372 0.658 494 HB2 ASP 68 HB2 ASP 68 2.062 3.666 -0.288 495 HB3 ASP 68 HB3 ASP 68 2.642 4.146 1.301 496 H ALA 69 H ALA 69 0.827 7.305 1.463 497 HA ALA 69 HA ALA 69 -0.061 7.030 4.181 498 HB1 ALA 69 HB1 ALA 69 2.486 6.569 4.125 499 HB2 ALA 69 HB2 ALA 69 2.630 8.306 3.857 500 HB3 ALA 69 HB3 ALA 69 1.852 7.700 5.319 Start of MODEL 2 1 H1 MET 1 H1 MET 1 2.351 -2.098 1.761 2 H2 MET 1 H2 MET 1 2.303 -0.859 0.601 3 H3 MET 1 H3 MET 1 2.781 -2.425 0.151 4 HA MET 1 HA MET 1 0.632 -3.289 0.450 5 HB2 MET 1 HB2 MET 1 0.347 -0.885 2.079 6 HB3 MET 1 HB3 MET 1 -1.020 -1.120 0.998 7 HG2 MET 1 HG2 MET 1 -1.399 -3.326 1.900 8 HG3 MET 1 HG3 MET 1 0.032 -3.183 2.920 9 HE1 MET 1 HE1 MET 1 -0.912 -3.141 5.585 10 HE2 MET 1 HE2 MET 1 0.300 -2.059 4.898 11 HE3 MET 1 HE3 MET 1 -0.966 -1.415 5.943 12 H THR 2 H THR 2 -1.574 -1.774 -0.526 13 HA THR 2 HA THR 2 -0.556 -0.270 -2.808 14 HB THR 2 HB THR 2 -2.696 -2.326 -3.290 15 HG1 THR 2 HG1 THR 2 0.045 -2.730 -2.972 16 HG21 THR 2 HG21 THR 2 -2.662 -1.229 -5.249 17 HG22 THR 2 HG22 THR 2 -1.127 -2.044 -5.541 18 HG23 THR 2 HG23 THR 2 -1.144 -0.417 -4.861 19 H HIS 3 H HIS 3 -1.503 1.173 -0.939 20 HA HIS 3 HA HIS 3 -4.394 1.435 -1.394 21 HB2 HIS 3 HB2 HIS 3 -4.699 2.274 0.740 22 HB3 HIS 3 HB3 HIS 3 -3.421 1.100 0.992 23 HD1 HIS 3 HD1 HIS 3 -4.015 4.819 0.866 24 HD2 HIS 3 HD2 HIS 3 -1.069 2.130 2.022 25 HE1 HIS 3 HE1 HIS 3 -2.355 6.170 2.171 26 HE2 HIS 3 HE2 HIS 3 -0.690 4.491 3.032 27 H LEU 4 H LEU 4 -5.078 2.965 -2.646 28 HA LEU 4 HA LEU 4 -3.326 5.263 -3.184 29 HB2 LEU 4 HB2 LEU 4 -5.711 4.639 -4.849 30 HB3 LEU 4 HB3 LEU 4 -4.221 5.429 -5.308 31 HG LEU 4 HG LEU 4 -4.398 2.482 -4.686 32 HD11 LEU 4 HD11 LEU 4 -4.443 3.811 -7.394 33 HD12 LEU 4 HD12 LEU 4 -4.460 2.079 -7.064 34 HD13 LEU 4 HD13 LEU 4 -5.840 3.077 -6.607 35 HD21 LEU 4 HD21 LEU 4 -2.180 3.680 -4.541 36 HD22 LEU 4 HD22 LEU 4 -2.250 2.328 -5.671 37 HD23 LEU 4 HD23 LEU 4 -2.330 3.986 -6.271 38 H LYS 5 H LYS 5 -4.294 7.362 -3.346 39 HA LYS 5 HA LYS 5 -6.575 7.650 -1.527 40 HB2 LYS 5 HB2 LYS 5 -4.254 8.949 -1.432 41 HB3 LYS 5 HB3 LYS 5 -5.069 10.001 -2.581 42 HG2 LYS 5 HG2 LYS 5 -6.977 9.846 -0.713 43 HG3 LYS 5 HG3 LYS 5 -5.556 9.598 0.303 44 HD2 LYS 5 HD2 LYS 5 -5.801 11.906 0.331 45 HD3 LYS 5 HD3 LYS 5 -4.609 11.661 -0.948 46 HE2 LYS 5 HE2 LYS 5 -5.939 12.657 -2.417 47 HE3 LYS 5 HE3 LYS 5 -7.223 11.498 -2.077 48 HZ1 LYS 5 HZ1 LYS 5 -7.106 14.221 -1.396 49 HZ2 LYS 5 HZ2 LYS 5 -7.137 13.320 0.039 50 HZ3 LYS 5 HZ3 LYS 5 -8.362 13.116 -1.115 51 H ILE 6 H ILE 6 -8.527 8.286 -2.224 52 HA ILE 6 HA ILE 6 -8.794 8.805 -5.090 53 HB ILE 6 HB ILE 6 -10.163 7.003 -3.896 54 HG12 ILE 6 HG12 ILE 6 -12.228 7.604 -5.233 55 HG13 ILE 6 HG13 ILE 6 -11.447 9.137 -5.605 56 HG21 ILE 6 HG21 ILE 6 -11.220 9.423 -2.595 57 HG22 ILE 6 HG22 ILE 6 -12.420 8.248 -3.129 58 HG23 ILE 6 HG23 ILE 6 -11.142 7.760 -2.014 59 HD11 ILE 6 HD11 ILE 6 -10.907 7.902 -7.447 60 HD12 ILE 6 HD12 ILE 6 -9.501 7.597 -6.425 61 HD13 ILE 6 HD13 ILE 6 -10.786 6.393 -6.541 62 H THR 7 H THR 7 -10.013 10.570 -5.883 63 HA THR 7 HA THR 7 -10.659 12.718 -4.044 64 HB THR 7 HB THR 7 -9.208 13.929 -6.166 65 HG1 THR 7 HG1 THR 7 -8.220 11.627 -5.970 66 HG21 THR 7 HG21 THR 7 -8.985 15.220 -4.347 67 HG22 THR 7 HG22 THR 7 -7.641 14.164 -3.911 68 HG23 THR 7 HG23 THR 7 -9.248 13.863 -3.251 69 H GLY 8 H GLY 8 -11.829 14.453 -5.175 70 HA2 GLY 8 HA3 GLY 8 -13.012 15.252 -7.062 71 HA3 GLY 8 HA2 GLY 8 -12.855 13.675 -7.811 72 H MET 9 H MET 9 -13.740 11.990 -5.921 73 HA MET 9 HA MET 9 -16.305 12.863 -4.911 74 HB2 MET 9 HB2 MET 9 -16.029 11.383 -7.425 75 HB3 MET 9 HB3 MET 9 -17.095 10.598 -6.269 76 HG2 MET 9 HG2 MET 9 -18.579 12.394 -6.230 77 HG3 MET 9 HG3 MET 9 -17.397 13.502 -6.922 78 HE1 MET 9 HE1 MET 9 -18.207 14.008 -10.078 79 HE2 MET 9 HE2 MET 9 -16.868 13.916 -8.933 80 HE3 MET 9 HE3 MET 9 -16.928 12.816 -10.311 81 H THR 10 H THR 10 -15.817 12.231 -2.898 82 HA THR 10 HA THR 10 -14.416 9.727 -2.438 83 HB THR 10 HB THR 10 -14.991 10.975 0.015 84 HG1 THR 10 HG1 THR 10 -13.789 13.040 -1.293 85 HG21 THR 10 HG21 THR 10 -12.467 11.797 -0.589 86 HG22 THR 10 HG22 THR 10 -12.672 10.453 -1.712 87 HG23 THR 10 HG23 THR 10 -12.875 10.195 0.021 88 H CYS 11 H CYS 11 -17.611 10.992 -2.147 89 HA CYS 11 HA CYS 11 -18.640 9.535 -0.020 90 HB2 CYS 11 HB2 CYS 11 -20.535 9.951 -2.182 91 HB3 CYS 11 HB3 CYS 11 -20.544 10.571 -0.539 92 H ASP 12 H ASP 12 -20.308 7.904 -0.067 93 HA ASP 12 HA ASP 12 -19.279 5.450 -0.518 94 HB2 ASP 12 HB2 ASP 12 -21.020 5.225 0.878 95 HB3 ASP 12 HB3 ASP 12 -21.931 6.518 0.113 96 H SER 13 H SER 13 -21.567 7.019 -2.781 97 HA SER 13 HA SER 13 -21.791 4.594 -4.293 98 HB2 SER 13 HB2 SER 13 -22.731 7.247 -5.313 99 HB3 SER 13 HB3 SER 13 -23.489 5.659 -5.458 100 HG SER 13 HG SER 13 -23.413 6.030 -2.910 101 H CYS 14 H CYS 14 -19.880 7.477 -4.516 102 HA CYS 14 HA CYS 14 -18.973 6.890 -7.193 103 HB2 CYS 14 HB2 CYS 14 -17.670 8.836 -5.310 104 HB3 CYS 14 HB3 CYS 14 -17.773 8.900 -7.070 105 H ALA 15 H ALA 15 -17.704 6.708 -3.889 106 HA ALA 15 HA ALA 15 -15.258 5.422 -4.670 107 HB1 ALA 15 HB1 ALA 15 -16.426 6.445 -2.247 108 HB2 ALA 15 HB2 ALA 15 -15.752 4.835 -1.980 109 HB3 ALA 15 HB3 ALA 15 -14.733 6.123 -2.627 110 H ALA 16 H ALA 16 -17.151 4.122 -5.955 111 HA ALA 16 HA ALA 16 -16.941 1.417 -5.042 112 HB1 ALA 16 HB1 ALA 16 -19.668 1.481 -5.464 113 HB2 ALA 16 HB2 ALA 16 -18.870 1.369 -3.893 114 HB3 ALA 16 HB3 ALA 16 -19.374 2.941 -4.516 115 H HIS 17 H HIS 17 -18.504 3.762 -7.174 116 HA HIS 17 HA HIS 17 -18.665 2.126 -9.463 117 HB2 HIS 17 HB2 HIS 17 -19.576 4.557 -8.958 118 HB3 HIS 17 HB3 HIS 17 -18.056 5.035 -9.700 119 HD1 HIS 17 HD1 HIS 17 -21.457 4.321 -10.527 120 HD2 HIS 17 HD2 HIS 17 -17.790 3.736 -12.410 121 HE1 HIS 17 HE1 HIS 17 -21.984 4.027 -12.975 122 HE2 HIS 17 HE2 HIS 17 -19.745 3.762 -14.106 123 H VAL 18 H VAL 18 -16.164 4.212 -8.159 124 HA VAL 18 HA VAL 18 -14.234 3.837 -10.181 125 HB VAL 18 HB VAL 18 -13.894 4.477 -7.240 126 HG11 VAL 18 HG11 VAL 18 -11.913 3.976 -9.353 127 HG12 VAL 18 HG12 VAL 18 -11.666 5.456 -8.427 128 HG13 VAL 18 HG13 VAL 18 -11.747 3.901 -7.598 129 HG21 VAL 18 HG21 VAL 18 -13.288 6.750 -8.367 130 HG22 VAL 18 HG22 VAL 18 -14.211 6.108 -9.724 131 HG23 VAL 18 HG23 VAL 18 -14.982 6.302 -8.149 132 H LYS 19 H LYS 19 -14.967 2.093 -7.198 133 HA LYS 19 HA LYS 19 -12.902 0.195 -7.319 134 HB2 LYS 19 HB2 LYS 19 -14.192 0.456 -5.297 135 HB3 LYS 19 HB3 LYS 19 -15.678 0.033 -6.130 136 HG2 LYS 19 HG2 LYS 19 -14.202 -2.174 -6.584 137 HG3 LYS 19 HG3 LYS 19 -13.569 -1.678 -5.016 138 HD2 LYS 19 HD2 LYS 19 -15.331 -2.973 -4.339 139 HD3 LYS 19 HD3 LYS 19 -16.132 -1.405 -4.453 140 HE2 LYS 19 HE2 LYS 19 -17.601 -2.359 -5.827 141 HE3 LYS 19 HE3 LYS 19 -16.305 -2.479 -7.016 142 HZ1 LYS 19 HZ1 LYS 19 -15.942 -4.677 -6.540 143 HZ2 LYS 19 HZ2 LYS 19 -17.619 -4.581 -6.293 144 HZ3 LYS 19 HZ3 LYS 19 -16.568 -4.571 -4.966 145 H GLU 20 H GLU 20 -16.121 0.291 -8.748 146 HA GLU 20 HA GLU 20 -16.129 -2.304 -9.855 147 HB2 GLU 20 HB2 GLU 20 -17.906 -0.216 -9.715 148 HB3 GLU 20 HB3 GLU 20 -17.489 -0.226 -11.423 149 HG2 GLU 20 HG2 GLU 20 -17.974 -2.902 -10.590 150 HG3 GLU 20 HG3 GLU 20 -19.311 -1.885 -10.051 151 H ALA 21 H ALA 21 -15.263 0.844 -11.271 152 HA ALA 21 HA ALA 21 -14.442 -0.098 -13.773 153 HB1 ALA 21 HB1 ALA 21 -14.833 2.259 -13.321 154 HB2 ALA 21 HB2 ALA 21 -13.436 2.296 -12.246 155 HB3 ALA 21 HB3 ALA 21 -13.213 2.008 -13.971 156 H LEU 22 H LEU 22 -12.624 0.308 -10.762 157 HA LEU 22 HA LEU 22 -10.111 -0.475 -11.787 158 HB2 LEU 22 HB2 LEU 22 -11.310 0.059 -9.190 159 HB3 LEU 22 HB3 LEU 22 -10.146 -1.249 -9.119 160 HG LEU 22 HG LEU 22 -8.380 0.133 -9.372 161 HD11 LEU 22 HD11 LEU 22 -8.081 1.276 -11.248 162 HD12 LEU 22 HD12 LEU 22 -9.760 0.941 -11.674 163 HD13 LEU 22 HD13 LEU 22 -9.347 2.420 -10.808 164 HD21 LEU 22 HD21 LEU 22 -9.613 1.139 -7.540 165 HD22 LEU 22 HD22 LEU 22 -8.752 2.375 -8.458 166 HD23 LEU 22 HD23 LEU 22 -10.491 2.168 -8.674 167 H GLU 23 H GLU 23 -12.708 -2.301 -10.210 168 HA GLU 23 HA GLU 23 -11.300 -4.767 -10.184 169 HB2 GLU 23 HB2 GLU 23 -14.001 -3.833 -9.506 170 HB3 GLU 23 HB3 GLU 23 -13.924 -5.500 -10.059 171 HG2 GLU 23 HG2 GLU 23 -12.399 -6.086 -8.326 172 HG3 GLU 23 HG3 GLU 23 -12.196 -4.398 -7.859 173 H LYS 24 H LYS 24 -13.066 -3.100 -12.633 174 HA LYS 24 HA LYS 24 -13.615 -5.390 -14.250 175 HB2 LYS 24 HB2 LYS 24 -14.625 -3.935 -15.655 176 HB3 LYS 24 HB3 LYS 24 -14.435 -2.800 -14.328 177 HG2 LYS 24 HG2 LYS 24 -13.392 -1.473 -15.760 178 HG3 LYS 24 HG3 LYS 24 -12.048 -2.616 -15.724 179 HD2 LYS 24 HD2 LYS 24 -13.745 -3.802 -17.506 180 HD3 LYS 24 HD3 LYS 24 -14.019 -2.087 -17.831 181 HE2 LYS 24 HE2 LYS 24 -11.764 -1.714 -18.362 182 HE3 LYS 24 HE3 LYS 24 -11.247 -3.230 -17.626 183 HZ1 LYS 24 HZ1 LYS 24 -12.511 -2.760 -20.236 184 HZ2 LYS 24 HZ2 LYS 24 -12.769 -4.249 -19.461 185 HZ3 LYS 24 HZ3 LYS 24 -11.190 -3.748 -19.839 186 H VAL 25 H VAL 25 -10.792 -3.668 -13.492 187 HA VAL 25 HA VAL 25 -9.324 -4.471 -15.859 188 HB VAL 25 HB VAL 25 -8.346 -3.312 -13.235 189 HG11 VAL 25 HG11 VAL 25 -6.231 -2.973 -14.234 190 HG12 VAL 25 HG12 VAL 25 -6.667 -4.654 -14.551 191 HG13 VAL 25 HG13 VAL 25 -6.825 -3.445 -15.827 192 HG21 VAL 25 HG21 VAL 25 -8.114 -1.213 -14.482 193 HG22 VAL 25 HG22 VAL 25 -8.822 -1.984 -15.902 194 HG23 VAL 25 HG23 VAL 25 -9.789 -1.769 -14.443 195 HA PRO 26 HA PRO 26 -8.783 -8.494 -14.093 196 HB2 PRO 26 HB2 PRO 26 -7.208 -9.257 -16.385 197 HB3 PRO 26 HB3 PRO 26 -8.890 -9.655 -16.030 198 HG2 PRO 26 HG2 PRO 26 -8.091 -8.009 -18.076 199 HG3 PRO 26 HG3 PRO 26 -9.690 -7.957 -17.316 200 HD2 PRO 26 HD2 PRO 26 -7.317 -6.191 -16.866 201 HD3 PRO 26 HD3 PRO 26 -9.043 -5.769 -16.938 202 H GLY 27 H GLY 27 -6.948 -6.528 -13.187 203 HA2 GLY 27 HA3 GLY 27 -4.697 -8.371 -12.671 204 HA3 GLY 27 HA2 GLY 27 -4.456 -6.629 -12.800 205 H VAL 28 H VAL 28 -7.384 -6.903 -11.581 206 HA VAL 28 HA VAL 28 -6.491 -6.399 -8.854 207 HB VAL 28 HB VAL 28 -9.111 -5.901 -10.259 208 HG11 VAL 28 HG11 VAL 28 -10.028 -5.877 -8.218 209 HG12 VAL 28 HG12 VAL 28 -8.457 -5.935 -7.419 210 HG13 VAL 28 HG13 VAL 28 -9.120 -4.389 -7.947 211 HG21 VAL 28 HG21 VAL 28 -7.358 -4.416 -10.996 212 HG22 VAL 28 HG22 VAL 28 -8.497 -3.525 -9.987 213 HG23 VAL 28 HG23 VAL 28 -6.938 -4.025 -9.327 214 H GLN 29 H GLN 29 -6.749 -7.896 -7.308 215 HA GLN 29 HA GLN 29 -8.431 -10.217 -7.801 216 HB2 GLN 29 HB2 GLN 29 -6.249 -10.593 -6.792 217 HB3 GLN 29 HB3 GLN 29 -6.630 -9.488 -5.481 218 HG2 GLN 29 HG2 GLN 29 -8.672 -11.410 -5.498 219 HG3 GLN 29 HG3 GLN 29 -7.158 -12.288 -5.708 220 HE21 GLN 29 HE21 GLN 29 -8.816 -12.483 -3.456 221 HE22 GLN 29 HE22 GLN 29 -7.935 -11.871 -2.090 222 H SER 30 H SER 30 -8.202 -7.502 -5.545 223 HA SER 30 HA SER 30 -11.054 -7.383 -5.273 224 HB2 SER 30 HB2 SER 30 -9.345 -8.288 -2.950 225 HB3 SER 30 HB3 SER 30 -10.917 -7.522 -2.713 226 HG SER 30 HG SER 30 -10.727 -9.668 -4.504 227 H ALA 31 H ALA 31 -11.694 -5.497 -3.876 228 HA ALA 31 HA ALA 31 -9.551 -3.532 -3.510 229 HB1 ALA 31 HB1 ALA 31 -10.349 -3.075 -5.737 230 HB2 ALA 31 HB2 ALA 31 -12.019 -3.056 -5.175 231 HB3 ALA 31 HB3 ALA 31 -10.899 -1.797 -4.655 232 H LEU 32 H LEU 32 -9.726 -2.687 -1.556 233 HA LEU 32 HA LEU 32 -12.358 -2.643 -0.251 234 HB2 LEU 32 HB2 LEU 32 -9.546 -2.783 0.789 235 HB3 LEU 32 HB3 LEU 32 -10.839 -2.194 1.817 236 HG LEU 32 HG LEU 32 -10.935 -4.884 0.469 237 HD11 LEU 32 HD11 LEU 32 -10.457 -5.488 3.032 238 HD12 LEU 32 HD12 LEU 32 -9.189 -5.363 1.812 239 HD13 LEU 32 HD13 LEU 32 -9.506 -4.008 2.897 240 HD21 LEU 32 HD21 LEU 32 -13.071 -4.547 1.140 241 HD22 LEU 32 HD22 LEU 32 -12.417 -5.113 2.675 242 HD23 LEU 32 HD23 LEU 32 -12.616 -3.385 2.386 243 H VAL 33 H VAL 33 -13.103 -0.753 -1.160 244 HA VAL 33 HA VAL 33 -11.539 1.683 -0.872 245 HB VAL 33 HB VAL 33 -13.725 2.667 -1.937 246 HG11 VAL 33 HG11 VAL 33 -12.007 0.887 -3.646 247 HG12 VAL 33 HG12 VAL 33 -12.779 2.412 -4.085 248 HG13 VAL 33 HG13 VAL 33 -11.427 2.401 -2.951 249 HG21 VAL 33 HG21 VAL 33 -13.947 -0.211 -2.812 250 HG22 VAL 33 HG22 VAL 33 -15.009 0.552 -1.628 251 HG23 VAL 33 HG23 VAL 33 -14.979 1.136 -3.292 252 H SER 34 H SER 34 -11.671 2.856 0.900 253 HA SER 34 HA SER 34 -14.078 2.685 2.565 254 HB2 SER 34 HB2 SER 34 -11.693 4.163 3.537 255 HB3 SER 34 HB3 SER 34 -12.742 3.024 4.387 256 HG SER 34 HG SER 34 -11.704 1.359 3.042 257 H TYR 35 H TYR 35 -15.531 4.146 1.860 258 HA TYR 35 HA TYR 35 -14.880 6.516 0.507 259 HB2 TYR 35 HB2 TYR 35 -17.450 6.825 1.743 260 HB3 TYR 35 HB3 TYR 35 -17.050 6.589 0.051 261 HD1 TYR 35 HD1 TYR 35 -16.725 4.170 -0.763 262 HD2 TYR 35 HD2 TYR 35 -18.584 5.164 2.932 263 HE1 TYR 35 HE1 TYR 35 -17.826 1.972 -0.732 264 HE2 TYR 35 HE2 TYR 35 -19.685 2.966 2.976 265 HH TYR 35 HH TYR 35 -19.653 0.843 0.240 266 HA PRO 36 HA PRO 36 -15.749 8.947 4.586 267 HB2 PRO 36 HB2 PRO 36 -15.320 7.058 6.778 268 HB3 PRO 36 HB3 PRO 36 -16.687 8.134 6.485 269 HG2 PRO 36 HG2 PRO 36 -16.884 5.458 6.237 270 HG3 PRO 36 HG3 PRO 36 -17.813 6.573 5.217 271 HD2 PRO 36 HD2 PRO 36 -15.303 5.067 4.580 272 HD3 PRO 36 HD3 PRO 36 -16.746 5.324 3.577 273 H LYS 37 H LYS 37 -13.248 7.168 3.605 274 HA LYS 37 HA LYS 37 -11.367 8.642 5.320 275 HB2 LYS 37 HB2 LYS 37 -11.693 5.907 5.443 276 HB3 LYS 37 HB3 LYS 37 -10.346 6.082 4.326 277 HG2 LYS 37 HG2 LYS 37 -8.935 6.610 5.959 278 HG3 LYS 37 HG3 LYS 37 -10.057 7.784 6.653 279 HD2 LYS 37 HD2 LYS 37 -11.221 5.367 7.274 280 HD3 LYS 37 HD3 LYS 37 -9.496 5.034 7.444 281 HE2 LYS 37 HE2 LYS 37 -9.329 7.089 8.864 282 HE3 LYS 37 HE3 LYS 37 -11.089 7.191 8.813 283 HZ1 LYS 37 HZ1 LYS 37 -9.481 4.961 9.938 284 HZ2 LYS 37 HZ2 LYS 37 -11.173 4.956 9.805 285 HZ3 LYS 37 HZ3 LYS 37 -10.402 6.088 10.812 286 H GLY 38 H GLY 38 -12.500 7.916 2.267 287 HA2 GLY 38 HA3 GLY 38 -11.835 8.515 0.164 288 HA3 GLY 38 HA2 GLY 38 -10.737 9.642 0.944 289 H THR 39 H THR 39 -10.648 6.135 1.323 290 HA THR 39 HA THR 39 -8.088 6.160 -0.132 291 HB THR 39 HB THR 39 -8.278 4.219 2.064 292 HG1 THR 39 HG1 THR 39 -8.781 6.876 2.506 293 HG21 THR 39 HG21 THR 39 -6.145 4.226 1.335 294 HG22 THR 39 HG22 THR 39 -5.978 5.626 2.393 295 HG23 THR 39 HG23 THR 39 -6.273 5.855 0.669 296 H ALA 40 H ALA 40 -7.621 4.426 -1.380 297 HA ALA 40 HA ALA 40 -9.669 2.315 -1.561 298 HB1 ALA 40 HB1 ALA 40 -8.733 4.064 -3.540 299 HB2 ALA 40 HB2 ALA 40 -8.012 2.497 -3.904 300 HB3 ALA 40 HB3 ALA 40 -9.763 2.649 -3.760 301 H GLN 41 H GLN 41 -8.814 0.734 -0.304 302 HA GLN 41 HA GLN 41 -6.002 0.025 -0.515 303 HB2 GLN 41 HB2 GLN 41 -7.139 -0.072 1.672 304 HB3 GLN 41 HB3 GLN 41 -8.255 -1.274 1.038 305 HG2 GLN 41 HG2 GLN 41 -6.865 -2.825 1.779 306 HG3 GLN 41 HG3 GLN 41 -5.740 -2.324 0.519 307 HE21 GLN 41 HE21 GLN 41 -5.188 -3.409 3.157 308 HE22 GLN 41 HE22 GLN 41 -4.206 -2.228 3.962 309 H LEU 42 H LEU 42 -5.656 -0.781 -2.538 310 HA LEU 42 HA LEU 42 -7.551 -2.736 -3.589 311 HB2 LEU 42 HB2 LEU 42 -5.498 -0.950 -4.777 312 HB3 LEU 42 HB3 LEU 42 -5.858 -2.448 -5.617 313 HG LEU 42 HG LEU 42 -8.283 -1.045 -4.865 314 HD11 LEU 42 HD11 LEU 42 -7.100 0.984 -5.074 315 HD12 LEU 42 HD12 LEU 42 -6.230 0.420 -6.500 316 HD13 LEU 42 HD13 LEU 42 -7.958 0.756 -6.597 317 HD21 LEU 42 HD21 LEU 42 -8.942 -1.586 -7.038 318 HD22 LEU 42 HD22 LEU 42 -7.281 -1.638 -7.631 319 HD23 LEU 42 HD23 LEU 42 -7.879 -2.911 -6.567 320 H ALA 43 H ALA 43 -7.139 -4.809 -3.859 321 HA ALA 43 HA ALA 43 -4.469 -5.808 -3.158 322 HB1 ALA 43 HB1 ALA 43 -5.498 -7.906 -2.651 323 HB2 ALA 43 HB2 ALA 43 -6.452 -6.649 -1.863 324 HB3 ALA 43 HB3 ALA 43 -7.030 -7.389 -3.356 325 H ILE 44 H ILE 44 -3.667 -5.218 -5.216 326 HA ILE 44 HA ILE 44 -4.773 -6.625 -7.529 327 HB ILE 44 HB ILE 44 -3.156 -5.257 -8.853 328 HG12 ILE 44 HG12 ILE 44 -2.714 -3.333 -6.682 329 HG13 ILE 44 HG13 ILE 44 -1.892 -4.870 -6.433 330 HG21 ILE 44 HG21 ILE 44 -5.547 -4.598 -8.302 331 HG22 ILE 44 HG22 ILE 44 -4.857 -3.491 -7.115 332 HG23 ILE 44 HG23 ILE 44 -4.468 -3.304 -8.827 333 HD11 ILE 44 HD11 ILE 44 -1.262 -4.384 -9.012 334 HD12 ILE 44 HD12 ILE 44 -1.370 -2.740 -8.380 335 HD13 ILE 44 HD13 ILE 44 -0.270 -3.902 -7.636 336 H VAL 45 H VAL 45 -3.336 -7.722 -9.001 337 HA VAL 45 HA VAL 45 -1.466 -9.451 -7.721 338 HB VAL 45 HB VAL 45 -1.938 -9.011 -10.657 339 HG11 VAL 45 HG11 VAL 45 -1.048 -11.335 -10.872 340 HG12 VAL 45 HG12 VAL 45 0.146 -10.141 -10.360 341 HG13 VAL 45 HG13 VAL 45 -0.565 -11.241 -9.179 342 HG21 VAL 45 HG21 VAL 45 -3.701 -10.427 -10.612 343 HG22 VAL 45 HG22 VAL 45 -3.029 -11.388 -9.294 344 HG23 VAL 45 HG23 VAL 45 -3.819 -9.850 -8.949 345 HA PRO 46 HA PRO 46 2.110 -6.828 -7.761 346 HB2 PRO 46 HB2 PRO 46 3.565 -9.394 -8.160 347 HB3 PRO 46 HB3 PRO 46 3.811 -8.131 -6.948 348 HG2 PRO 46 HG2 PRO 46 2.625 -10.405 -6.276 349 HG3 PRO 46 HG3 PRO 46 2.029 -8.859 -5.639 350 HD2 PRO 46 HD2 PRO 46 0.914 -10.561 -7.833 351 HD3 PRO 46 HD3 PRO 46 0.062 -9.650 -6.569 352 H GLY 47 H GLY 47 1.402 -9.056 -10.335 353 HA2 GLY 47 HA3 GLY 47 3.432 -8.303 -12.151 354 HA3 GLY 47 HA2 GLY 47 1.861 -8.960 -12.589 355 H THR 48 H THR 48 0.395 -6.845 -11.258 356 HA THR 48 HA THR 48 0.573 -4.768 -13.267 357 HB THR 48 HB THR 48 -1.314 -4.162 -11.198 358 HG1 THR 48 HG1 THR 48 -1.318 -6.366 -10.692 359 HG21 THR 48 HG21 THR 48 -1.267 -3.684 -13.751 360 HG22 THR 48 HG22 THR 48 -2.816 -3.985 -12.961 361 HG23 THR 48 HG23 THR 48 -2.035 -5.267 -13.888 362 H SER 49 H SER 49 -0.154 -2.522 -12.033 363 HA SER 49 HA SER 49 1.667 -2.047 -9.857 364 HB2 SER 49 HB2 SER 49 1.975 -0.120 -12.094 365 HB3 SER 49 HB3 SER 49 3.167 -0.684 -10.925 366 HG SER 49 HG SER 49 2.175 -2.140 -13.162 367 HA PRO 50 HA PRO 50 -1.616 0.560 -8.567 368 HB2 PRO 50 HB2 PRO 50 0.443 2.302 -7.348 369 HB3 PRO 50 HB3 PRO 50 -0.907 1.455 -6.587 370 HG2 PRO 50 HG2 PRO 50 1.610 0.607 -6.271 371 HG3 PRO 50 HG3 PRO 50 0.260 -0.534 -6.417 372 HD2 PRO 50 HD2 PRO 50 2.298 0.262 -8.453 373 HD3 PRO 50 HD3 PRO 50 1.587 -1.332 -8.132 374 H ASP 51 H ASP 51 1.145 1.986 -10.162 375 HA ASP 51 HA ASP 51 -0.005 4.537 -10.604 376 HB2 ASP 51 HB2 ASP 51 1.705 4.627 -12.527 377 HB3 ASP 51 HB3 ASP 51 2.321 4.486 -10.886 378 H ALA 52 H ALA 52 -0.501 1.470 -12.062 379 HA ALA 52 HA ALA 52 -1.556 2.471 -14.547 380 HB1 ALA 52 HB1 ALA 52 -0.827 0.323 -14.845 381 HB2 ALA 52 HB2 ALA 52 -1.357 -0.197 -13.245 382 HB3 ALA 52 HB3 ALA 52 -2.538 0.024 -14.538 383 H LEU 53 H LEU 53 -2.852 1.423 -11.467 384 HA LEU 53 HA LEU 53 -5.588 1.519 -12.236 385 HB2 LEU 53 HB2 LEU 53 -4.315 1.583 -9.514 386 HB3 LEU 53 HB3 LEU 53 -6.028 1.375 -9.807 387 HG LEU 53 HG LEU 53 -4.606 -0.586 -11.314 388 HD11 LEU 53 HD11 LEU 53 -3.510 -0.017 -8.652 389 HD12 LEU 53 HD12 LEU 53 -3.939 -1.704 -8.935 390 HD13 LEU 53 HD13 LEU 53 -2.802 -0.891 -10.011 391 HD21 LEU 53 HD21 LEU 53 -6.902 -0.801 -10.616 392 HD22 LEU 53 HD22 LEU 53 -5.955 -2.112 -9.915 393 HD23 LEU 53 HD23 LEU 53 -6.427 -0.735 -8.920 394 H THR 54 H THR 54 -3.414 3.639 -10.470 395 HA THR 54 HA THR 54 -5.166 5.752 -9.973 396 HB THR 54 HB THR 54 -2.223 6.048 -10.579 397 HG1 THR 54 HG1 THR 54 -2.344 4.429 -9.046 398 HG21 THR 54 HG21 THR 54 -2.755 8.180 -10.118 399 HG22 THR 54 HG22 THR 54 -2.838 7.636 -8.440 400 HG23 THR 54 HG23 THR 54 -4.307 7.739 -9.413 401 H ALA 55 H ALA 55 -3.123 5.005 -12.748 402 HA ALA 55 HA ALA 55 -3.686 7.341 -14.241 403 HB1 ALA 55 HB1 ALA 55 -2.162 4.961 -14.601 404 HB2 ALA 55 HB2 ALA 55 -3.164 5.216 -16.031 405 HB3 ALA 55 HB3 ALA 55 -2.063 6.484 -15.487 406 H ALA 56 H ALA 56 -5.215 4.177 -14.038 407 HA ALA 56 HA ALA 56 -7.067 4.519 -16.129 408 HB1 ALA 56 HB1 ALA 56 -7.854 2.942 -13.734 409 HB2 ALA 56 HB2 ALA 56 -7.995 2.546 -15.448 410 HB3 ALA 56 HB3 ALA 56 -6.432 2.422 -14.641 411 H VAL 57 H VAL 57 -7.284 5.212 -12.660 412 HA VAL 57 HA VAL 57 -9.936 6.209 -12.727 413 HB VAL 57 HB VAL 57 -7.739 6.809 -10.729 414 HG11 VAL 57 HG11 VAL 57 -9.165 8.209 -9.760 415 HG12 VAL 57 HG12 VAL 57 -10.364 7.887 -11.013 416 HG13 VAL 57 HG13 VAL 57 -10.315 6.885 -9.562 417 HG21 VAL 57 HG21 VAL 57 -9.444 5.101 -9.490 418 HG22 VAL 57 HG22 VAL 57 -9.506 4.500 -11.145 419 HG23 VAL 57 HG23 VAL 57 -7.960 4.609 -10.306 420 H ALA 58 H ALA 58 -6.736 7.739 -12.947 421 HA ALA 58 HA ALA 58 -7.660 10.414 -13.007 422 HB1 ALA 58 HB1 ALA 58 -5.357 10.005 -12.552 423 HB2 ALA 58 HB2 ALA 58 -5.145 9.151 -14.080 424 HB3 ALA 58 HB3 ALA 58 -5.441 10.889 -14.075 425 H GLY 59 H GLY 59 -7.205 7.989 -15.509 426 HA2 GLY 59 HA3 GLY 59 -7.868 9.817 -17.651 427 HA3 GLY 59 HA2 GLY 59 -7.586 8.088 -17.798 428 H LEU 60 H LEU 60 -9.608 7.805 -15.478 429 HA LEU 60 HA LEU 60 -11.898 7.395 -17.142 430 HB2 LEU 60 HB2 LEU 60 -11.064 6.718 -14.471 431 HB3 LEU 60 HB3 LEU 60 -12.711 7.310 -14.466 432 HG LEU 60 HG LEU 60 -13.526 5.462 -15.472 433 HD11 LEU 60 HD11 LEU 60 -10.972 4.995 -16.993 434 HD12 LEU 60 HD12 LEU 60 -12.558 4.287 -17.293 435 HD13 LEU 60 HD13 LEU 60 -12.290 6.005 -17.588 436 HD21 LEU 60 HD21 LEU 60 -10.940 4.095 -14.902 437 HD22 LEU 60 HD22 LEU 60 -11.864 4.805 -13.578 438 HD23 LEU 60 HD23 LEU 60 -12.592 3.558 -14.591 439 H GLY 61 H GLY 61 -10.688 10.082 -15.493 440 HA2 GLY 61 HA3 GLY 61 -11.756 12.217 -15.968 441 HA3 GLY 61 HA2 GLY 61 -13.307 11.420 -15.747 442 H TYR 62 H TYR 62 -11.552 10.073 -13.443 443 HA TYR 62 HA TYR 62 -12.419 12.022 -11.435 444 HB2 TYR 62 HB2 TYR 62 -11.489 9.166 -11.049 445 HB3 TYR 62 HB3 TYR 62 -12.189 10.209 -9.819 446 HD1 TYR 62 HD2 TYR 62 -14.601 11.058 -10.267 447 HD2 TYR 62 HD1 TYR 62 -12.854 7.727 -12.260 448 HE1 TYR 62 HE2 TYR 62 -16.844 10.231 -10.842 449 HE2 TYR 62 HE1 TYR 62 -15.091 6.894 -12.840 450 HH TYR 62 HH TYR 62 -17.626 7.400 -11.536 451 H LYS 63 H LYS 63 -10.756 11.462 -9.356 452 HA LYS 63 HA LYS 63 -8.049 11.900 -10.401 453 HB2 LYS 63 HB2 LYS 63 -9.430 13.979 -9.462 454 HB3 LYS 63 HB3 LYS 63 -8.864 13.341 -7.924 455 HG2 LYS 63 HG2 LYS 63 -7.396 15.090 -8.830 456 HG3 LYS 63 HG3 LYS 63 -6.568 13.545 -8.633 457 HD2 LYS 63 HD2 LYS 63 -6.721 13.093 -10.984 458 HD3 LYS 63 HD3 LYS 63 -7.746 14.507 -11.234 459 HE2 LYS 63 HE2 LYS 63 -5.580 15.637 -10.058 460 HE3 LYS 63 HE3 LYS 63 -4.828 14.312 -10.946 461 HZ1 LYS 63 HZ1 LYS 63 -6.766 15.695 -12.526 462 HZ2 LYS 63 HZ2 LYS 63 -5.131 15.368 -12.863 463 HZ3 LYS 63 HZ3 LYS 63 -5.556 16.744 -11.964 464 H ALA 64 H ALA 64 -6.510 10.739 -9.411 465 HA ALA 64 HA ALA 64 -7.033 9.651 -6.754 466 HB1 ALA 64 HB1 ALA 64 -7.639 8.029 -8.721 467 HB2 ALA 64 HB2 ALA 64 -5.891 7.799 -8.795 468 HB3 ALA 64 HB3 ALA 64 -6.766 7.435 -7.308 469 H THR 65 H THR 65 -5.109 8.965 -5.664 470 HA THR 65 HA THR 65 -2.608 9.907 -6.892 471 HB THR 65 HB THR 65 -2.749 10.231 -3.992 472 HG1 THR 65 HG1 THR 65 -4.854 11.046 -5.360 473 HG21 THR 65 HG21 THR 65 -1.136 11.703 -4.437 474 HG22 THR 65 HG22 THR 65 -2.178 12.601 -5.539 475 HG23 THR 65 HG23 THR 65 -1.253 11.218 -6.126 476 H LEU 66 H LEU 66 -1.271 8.222 -7.058 477 HA LEU 66 HA LEU 66 -1.569 5.897 -5.397 478 HB2 LEU 66 HB2 LEU 66 0.477 5.085 -6.552 479 HB3 LEU 66 HB3 LEU 66 -0.814 5.542 -7.642 480 HG LEU 66 HG LEU 66 0.924 7.792 -7.257 481 HD11 LEU 66 HD11 LEU 66 2.303 5.293 -8.232 482 HD12 LEU 66 HD12 LEU 66 2.982 6.918 -8.171 483 HD13 LEU 66 HD13 LEU 66 2.600 6.066 -6.676 484 HD21 LEU 66 HD21 LEU 66 -0.205 6.162 -9.437 485 HD22 LEU 66 HD22 LEU 66 -0.141 7.915 -9.242 486 HD23 LEU 66 HD23 LEU 66 1.278 7.037 -9.814 487 H ALA 67 H ALA 67 -1.142 6.194 -3.309 488 HA ALA 67 HA ALA 67 1.486 7.216 -2.557 489 HB1 ALA 67 HB1 ALA 67 -0.108 9.149 -2.622 490 HB2 ALA 67 HB2 ALA 67 -1.030 8.353 -1.346 491 HB3 ALA 67 HB3 ALA 67 0.633 8.858 -1.048 492 H ASP 68 H ASP 68 1.904 5.090 -1.917 493 HA ASP 68 HA ASP 68 0.187 3.802 0.005 494 HB2 ASP 68 HB2 ASP 68 1.701 2.714 -1.829 495 HB3 ASP 68 HB3 ASP 68 2.942 2.843 -0.588 496 H ALA 69 H ALA 69 0.755 6.104 1.115 497 HA ALA 69 HA ALA 69 2.524 5.349 3.331 498 HB1 ALA 69 HB1 ALA 69 2.842 7.593 1.546 499 HB2 ALA 69 HB2 ALA 69 2.614 8.135 3.209 500 HB3 ALA 69 HB3 ALA 69 3.915 7.011 2.819 Start of MODEL 3 1 H1 MET 1 H1 MET 1 3.114 -2.139 -3.270 2 H2 MET 1 H2 MET 1 3.736 -3.454 -4.148 3 H3 MET 1 H3 MET 1 2.623 -3.716 -2.894 4 HA MET 1 HA MET 1 1.793 -1.963 -5.063 5 HB2 MET 1 HB2 MET 1 2.843 -4.512 -5.622 6 HB3 MET 1 HB3 MET 1 1.096 -4.709 -5.654 7 HG2 MET 1 HG2 MET 1 1.004 -3.800 -7.660 8 HG3 MET 1 HG3 MET 1 1.763 -2.329 -7.054 9 HE1 MET 1 HE1 MET 1 5.233 -2.345 -8.352 10 HE2 MET 1 HE2 MET 1 3.802 -1.451 -7.835 11 HE3 MET 1 HE3 MET 1 4.698 -2.428 -6.674 12 H THR 2 H THR 2 0.831 -1.523 -2.771 13 HA THR 2 HA THR 2 -1.482 -3.274 -2.318 14 HB THR 2 HB THR 2 -1.066 -1.275 -0.265 15 HG1 THR 2 HG1 THR 2 0.940 -1.917 0.439 16 HG21 THR 2 HG21 THR 2 -2.144 -3.786 -0.475 17 HG22 THR 2 HG22 THR 2 -1.797 -2.956 1.041 18 HG23 THR 2 HG23 THR 2 -0.633 -4.103 0.377 19 H HIS 3 H HIS 3 -1.940 -0.480 -0.711 20 HA HIS 3 HA HIS 3 -4.256 0.026 -2.373 21 HB2 HIS 3 HB2 HIS 3 -4.543 1.743 -0.271 22 HB3 HIS 3 HB3 HIS 3 -5.143 0.092 -0.305 23 HD1 HIS 3 HD1 HIS 3 -4.291 -1.450 1.469 24 HD2 HIS 3 HD2 HIS 3 -1.969 1.987 1.099 25 HE1 HIS 3 HE1 HIS 3 -2.632 -1.540 3.358 26 HE2 HIS 3 HE2 HIS 3 -1.108 0.434 2.988 27 H LEU 4 H LEU 4 -4.969 2.123 -2.949 28 HA LEU 4 HA LEU 4 -2.798 4.093 -3.234 29 HB2 LEU 4 HB2 LEU 4 -4.749 4.681 -5.161 30 HB3 LEU 4 HB3 LEU 4 -3.139 4.044 -5.436 31 HG LEU 4 HG LEU 4 -5.134 2.005 -4.730 32 HD11 LEU 4 HD11 LEU 4 -5.644 2.335 -7.423 33 HD12 LEU 4 HD12 LEU 4 -6.740 2.717 -6.095 34 HD13 LEU 4 HD13 LEU 4 -5.714 3.977 -6.780 35 HD21 LEU 4 HD21 LEU 4 -3.835 1.605 -7.228 36 HD22 LEU 4 HD22 LEU 4 -2.651 2.230 -6.081 37 HD23 LEU 4 HD23 LEU 4 -3.565 0.771 -5.698 38 H LYS 5 H LYS 5 -4.274 6.256 -4.065 39 HA LYS 5 HA LYS 5 -6.161 6.692 -1.854 40 HB2 LYS 5 HB2 LYS 5 -4.188 7.706 -1.041 41 HB3 LYS 5 HB3 LYS 5 -3.751 8.331 -2.624 42 HG2 LYS 5 HG2 LYS 5 -6.087 9.613 -2.233 43 HG3 LYS 5 HG3 LYS 5 -5.524 9.453 -0.568 44 HD2 LYS 5 HD2 LYS 5 -3.245 10.275 -1.663 45 HD3 LYS 5 HD3 LYS 5 -4.360 10.982 -2.833 46 HE2 LYS 5 HE2 LYS 5 -5.501 12.186 -1.093 47 HE3 LYS 5 HE3 LYS 5 -4.534 11.387 0.146 48 HZ1 LYS 5 HZ1 LYS 5 -2.564 12.474 -0.717 49 HZ2 LYS 5 HZ2 LYS 5 -3.740 13.631 -0.334 50 HZ3 LYS 5 HZ3 LYS 5 -3.467 13.209 -1.952 51 H ILE 6 H ILE 6 -7.913 8.010 -2.370 52 HA ILE 6 HA ILE 6 -8.043 8.746 -5.218 53 HB ILE 6 HB ILE 6 -9.614 6.993 -4.714 54 HG12 ILE 6 HG12 ILE 6 -11.479 9.302 -4.790 55 HG13 ILE 6 HG13 ILE 6 -10.239 9.243 -6.039 56 HG21 ILE 6 HG21 ILE 6 -9.764 8.020 -2.213 57 HG22 ILE 6 HG22 ILE 6 -11.311 8.533 -2.888 58 HG23 ILE 6 HG23 ILE 6 -10.877 6.821 -2.874 59 HD11 ILE 6 HD11 ILE 6 -12.701 7.873 -5.942 60 HD12 ILE 6 HD12 ILE 6 -11.448 7.787 -7.179 61 HD13 ILE 6 HD13 ILE 6 -11.421 6.667 -5.818 62 H THR 7 H THR 7 -8.682 10.783 -5.806 63 HA THR 7 HA THR 7 -8.865 12.709 -3.585 64 HB THR 7 HB THR 7 -8.299 13.785 -6.259 65 HG1 THR 7 HG1 THR 7 -6.629 11.839 -5.045 66 HG21 THR 7 HG21 THR 7 -8.129 15.023 -4.093 67 HG22 THR 7 HG22 THR 7 -6.655 15.062 -5.060 68 HG23 THR 7 HG23 THR 7 -6.764 13.989 -3.665 69 H GLY 8 H GLY 8 -10.371 11.666 -6.585 70 HA2 GLY 8 HA3 GLY 8 -12.281 13.856 -6.568 71 HA3 GLY 8 HA2 GLY 8 -12.208 12.543 -7.731 72 H MET 9 H MET 9 -12.109 11.496 -4.515 73 HA MET 9 HA MET 9 -14.782 10.390 -4.747 74 HB2 MET 9 HB2 MET 9 -13.212 8.823 -3.961 75 HB3 MET 9 HB3 MET 9 -12.486 9.976 -2.853 76 HG2 MET 9 HG2 MET 9 -15.048 9.822 -1.924 77 HG3 MET 9 HG3 MET 9 -14.746 8.176 -2.477 78 HE1 MET 9 HE1 MET 9 -13.095 10.240 1.204 79 HE2 MET 9 HE2 MET 9 -13.440 11.116 -0.286 80 HE3 MET 9 HE3 MET 9 -14.736 10.270 0.560 81 H THR 10 H THR 10 -16.532 11.336 -3.882 82 HA THR 10 HA THR 10 -16.134 13.342 -1.777 83 HB THR 10 HB THR 10 -18.790 13.472 -2.485 84 HG1 THR 10 HG1 THR 10 -18.758 13.462 -4.802 85 HG21 THR 10 HG21 THR 10 -16.557 14.995 -3.822 86 HG22 THR 10 HG22 THR 10 -17.149 15.327 -2.194 87 HG23 THR 10 HG23 THR 10 -18.219 15.534 -3.581 88 H CYS 11 H CYS 11 -17.060 10.175 -2.319 89 HA CYS 11 HA CYS 11 -17.729 9.514 0.285 90 HB2 CYS 11 HB2 CYS 11 -20.244 9.030 -0.259 91 HB3 CYS 11 HB3 CYS 11 -19.773 10.628 0.295 92 H ASP 12 H ASP 12 -20.109 7.997 -1.540 93 HA ASP 12 HA ASP 12 -18.269 5.704 -1.735 94 HB2 ASP 12 HB2 ASP 12 -20.002 5.680 0.093 95 HB3 ASP 12 HB3 ASP 12 -21.228 5.579 -1.164 96 H SER 13 H SER 13 -20.782 7.485 -3.389 97 HA SER 13 HA SER 13 -21.443 5.689 -5.409 98 HB2 SER 13 HB2 SER 13 -21.245 8.326 -6.509 99 HB3 SER 13 HB3 SER 13 -22.695 7.453 -6.010 100 HG SER 13 HG SER 13 -22.793 8.651 -4.292 101 H CYS 14 H CYS 14 -18.912 8.182 -5.437 102 HA CYS 14 HA CYS 14 -17.673 7.355 -7.819 103 HB2 CYS 14 HB2 CYS 14 -15.881 8.524 -5.823 104 HB3 CYS 14 HB3 CYS 14 -16.332 9.124 -7.418 105 H ALA 15 H ALA 15 -17.156 6.495 -4.431 106 HA ALA 15 HA ALA 15 -14.979 4.703 -4.962 107 HB1 ALA 15 HB1 ALA 15 -16.418 4.310 -2.449 108 HB2 ALA 15 HB2 ALA 15 -14.716 4.677 -2.738 109 HB3 ALA 15 HB3 ALA 15 -15.908 5.975 -2.725 110 H ALA 16 H ALA 16 -16.939 4.019 -6.668 111 HA ALA 16 HA ALA 16 -17.500 1.282 -5.996 112 HB1 ALA 16 HB1 ALA 16 -19.480 3.175 -5.357 113 HB2 ALA 16 HB2 ALA 16 -20.021 2.379 -6.834 114 HB3 ALA 16 HB3 ALA 16 -19.645 1.419 -5.404 115 H HIS 17 H HIS 17 -18.238 4.011 -8.161 116 HA HIS 17 HA HIS 17 -18.262 2.427 -10.518 117 HB2 HIS 17 HB2 HIS 17 -19.007 4.932 -10.098 118 HB3 HIS 17 HB3 HIS 17 -17.352 5.263 -10.587 119 HD1 HIS 17 HD1 HIS 17 -20.617 4.958 -11.959 120 HD2 HIS 17 HD2 HIS 17 -16.803 3.892 -13.237 121 HE1 HIS 17 HE1 HIS 17 -20.781 4.702 -14.459 122 HE2 HIS 17 HE2 HIS 17 -18.422 4.271 -15.227 123 H VAL 18 H VAL 18 -15.803 4.234 -8.796 124 HA VAL 18 HA VAL 18 -13.626 3.716 -10.510 125 HB VAL 18 HB VAL 18 -13.861 4.455 -7.604 126 HG11 VAL 18 HG11 VAL 18 -11.155 4.715 -8.397 127 HG12 VAL 18 HG12 VAL 18 -11.829 3.729 -7.099 128 HG13 VAL 18 HG13 VAL 18 -11.652 3.054 -8.717 129 HG21 VAL 18 HG21 VAL 18 -13.717 6.519 -8.395 130 HG22 VAL 18 HG22 VAL 18 -12.187 6.144 -9.189 131 HG23 VAL 18 HG23 VAL 18 -13.712 5.866 -10.033 132 H LYS 19 H LYS 19 -14.928 2.052 -7.690 133 HA LYS 19 HA LYS 19 -13.096 -0.054 -7.535 134 HB2 LYS 19 HB2 LYS 19 -14.553 0.223 -5.704 135 HB3 LYS 19 HB3 LYS 19 -15.978 0.249 -6.728 136 HG2 LYS 19 HG2 LYS 19 -16.088 -2.002 -6.855 137 HG3 LYS 19 HG3 LYS 19 -14.347 -2.221 -6.678 138 HD2 LYS 19 HD2 LYS 19 -14.431 -2.072 -4.386 139 HD3 LYS 19 HD3 LYS 19 -15.919 -1.123 -4.397 140 HE2 LYS 19 HE2 LYS 19 -16.719 -3.140 -3.677 141 HE3 LYS 19 HE3 LYS 19 -16.926 -3.319 -5.418 142 HZ1 LYS 19 HZ1 LYS 19 -15.035 -4.670 -5.575 143 HZ2 LYS 19 HZ2 LYS 19 -15.859 -5.234 -4.200 144 HZ3 LYS 19 HZ3 LYS 19 -14.490 -4.250 -4.022 145 H GLU 20 H GLU 20 -16.141 0.269 -9.307 146 HA GLU 20 HA GLU 20 -16.261 -2.300 -10.406 147 HB2 GLU 20 HB2 GLU 20 -17.630 0.194 -10.717 148 HB3 GLU 20 HB3 GLU 20 -17.272 -0.456 -12.314 149 HG2 GLU 20 HG2 GLU 20 -18.278 -2.630 -11.491 150 HG3 GLU 20 HG3 GLU 20 -18.874 -1.709 -10.108 151 H ALA 21 H ALA 21 -14.902 0.692 -11.762 152 HA ALA 21 HA ALA 21 -13.956 -0.425 -14.154 153 HB1 ALA 21 HB1 ALA 21 -12.579 1.562 -14.349 154 HB2 ALA 21 HB2 ALA 21 -14.190 1.988 -13.772 155 HB3 ALA 21 HB3 ALA 21 -12.836 1.931 -12.645 156 H LEU 22 H LEU 22 -12.418 -0.056 -10.987 157 HA LEU 22 HA LEU 22 -9.869 -0.973 -11.769 158 HB2 LEU 22 HB2 LEU 22 -11.203 -0.199 -9.336 159 HB3 LEU 22 HB3 LEU 22 -10.231 -1.632 -9.065 160 HG LEU 22 HG LEU 22 -8.366 -0.423 -8.986 161 HD11 LEU 22 HD11 LEU 22 -9.265 0.435 -11.680 162 HD12 LEU 22 HD12 LEU 22 -7.984 1.361 -10.898 163 HD13 LEU 22 HD13 LEU 22 -7.776 -0.368 -11.182 164 HD21 LEU 22 HD21 LEU 22 -8.659 2.131 -9.048 165 HD22 LEU 22 HD22 LEU 22 -10.382 1.777 -9.188 166 HD23 LEU 22 HD23 LEU 22 -9.477 1.216 -7.782 167 H GLU 23 H GLU 23 -12.583 -2.684 -10.197 168 HA GLU 23 HA GLU 23 -11.225 -5.183 -10.239 169 HB2 GLU 23 HB2 GLU 23 -13.811 -4.165 -9.328 170 HB3 GLU 23 HB3 GLU 23 -13.892 -5.804 -9.966 171 HG2 GLU 23 HG2 GLU 23 -12.449 -6.639 -8.371 172 HG3 GLU 23 HG3 GLU 23 -11.767 -5.062 -8.010 173 H LYS 24 H LYS 24 -12.905 -3.410 -12.613 174 HA LYS 24 HA LYS 24 -13.539 -5.617 -14.319 175 HB2 LYS 24 HB2 LYS 24 -14.034 -2.884 -14.352 176 HB3 LYS 24 HB3 LYS 24 -12.928 -3.119 -15.697 177 HG2 LYS 24 HG2 LYS 24 -14.694 -5.157 -16.074 178 HG3 LYS 24 HG3 LYS 24 -15.730 -3.895 -15.404 179 HD2 LYS 24 HD2 LYS 24 -14.211 -2.503 -17.199 180 HD3 LYS 24 HD3 LYS 24 -14.405 -4.060 -18.009 181 HE2 LYS 24 HE2 LYS 24 -16.922 -3.712 -17.243 182 HE3 LYS 24 HE3 LYS 24 -16.437 -2.015 -17.283 183 HZ1 LYS 24 HZ1 LYS 24 -16.030 -3.879 -19.556 184 HZ2 LYS 24 HZ2 LYS 24 -15.865 -2.192 -19.563 185 HZ3 LYS 24 HZ3 LYS 24 -17.401 -2.891 -19.397 186 H VAL 25 H VAL 25 -10.661 -4.028 -13.429 187 HA VAL 25 HA VAL 25 -9.141 -4.867 -15.754 188 HB VAL 25 HB VAL 25 -8.155 -3.748 -13.113 189 HG11 VAL 25 HG11 VAL 25 -6.472 -3.254 -15.402 190 HG12 VAL 25 HG12 VAL 25 -6.075 -3.991 -13.850 191 HG13 VAL 25 HG13 VAL 25 -6.723 -4.984 -15.158 192 HG21 VAL 25 HG21 VAL 25 -8.547 -2.287 -15.718 193 HG22 VAL 25 HG22 VAL 25 -9.658 -2.208 -14.351 194 HG23 VAL 25 HG23 VAL 25 -8.009 -1.603 -14.182 195 HA PRO 26 HA PRO 26 -8.569 -8.897 -13.909 196 HB2 PRO 26 HB2 PRO 26 -6.818 -9.523 -16.150 197 HB3 PRO 26 HB3 PRO 26 -8.431 -10.144 -15.796 198 HG2 PRO 26 HG2 PRO 26 -7.911 -8.491 -17.887 199 HG3 PRO 26 HG3 PRO 26 -9.472 -8.536 -17.049 200 HD2 PRO 26 HD2 PRO 26 -7.213 -6.589 -16.739 201 HD3 PRO 26 HD3 PRO 26 -8.963 -6.282 -16.812 202 H GLY 27 H GLY 27 -7.135 -7.140 -12.605 203 HA2 GLY 27 HA3 GLY 27 -4.715 -8.642 -12.046 204 HA3 GLY 27 HA2 GLY 27 -4.464 -6.958 -12.512 205 H VAL 28 H VAL 28 -7.147 -8.320 -10.737 206 HA VAL 28 HA VAL 28 -6.459 -6.758 -8.366 207 HB VAL 28 HB VAL 28 -8.958 -6.406 -10.026 208 HG11 VAL 28 HG11 VAL 28 -8.602 -6.132 -7.159 209 HG12 VAL 28 HG12 VAL 28 -9.110 -4.618 -7.906 210 HG13 VAL 28 HG13 VAL 28 -10.079 -6.075 -8.121 211 HG21 VAL 28 HG21 VAL 28 -8.330 -4.044 -10.043 212 HG22 VAL 28 HG22 VAL 28 -6.890 -4.417 -9.096 213 HG23 VAL 28 HG23 VAL 28 -7.058 -5.054 -10.732 214 H GLN 29 H GLN 29 -6.875 -7.955 -6.611 215 HA GLN 29 HA GLN 29 -8.555 -10.322 -6.913 216 HB2 GLN 29 HB2 GLN 29 -6.818 -9.535 -4.570 217 HB3 GLN 29 HB3 GLN 29 -7.563 -11.103 -4.849 218 HG2 GLN 29 HG2 GLN 29 -5.429 -9.850 -6.569 219 HG3 GLN 29 HG3 GLN 29 -5.170 -11.104 -5.359 220 HE21 GLN 29 HE21 GLN 29 -4.912 -13.029 -6.229 221 HE22 GLN 29 HE22 GLN 29 -5.708 -13.627 -7.647 222 H SER 30 H SER 30 -8.276 -7.417 -4.894 223 HA SER 30 HA SER 30 -11.135 -7.480 -4.449 224 HB2 SER 30 HB2 SER 30 -9.382 -7.359 -1.997 225 HB3 SER 30 HB3 SER 30 -11.124 -7.603 -2.084 226 HG SER 30 HG SER 30 -10.310 -9.597 -3.390 227 H ALA 31 H ALA 31 -11.768 -5.446 -4.856 228 HA ALA 31 HA ALA 31 -9.976 -3.235 -4.114 229 HB1 ALA 31 HB1 ALA 31 -12.331 -2.355 -5.481 230 HB2 ALA 31 HB2 ALA 31 -10.648 -2.278 -6.003 231 HB3 ALA 31 HB3 ALA 31 -11.615 -3.709 -6.356 232 H LEU 32 H LEU 32 -10.364 -2.187 -2.259 233 HA LEU 32 HA LEU 32 -13.144 -2.038 -1.301 234 HB2 LEU 32 HB2 LEU 32 -10.643 -2.755 0.180 235 HB3 LEU 32 HB3 LEU 32 -11.955 -1.962 1.031 236 HG LEU 32 HG LEU 32 -13.092 -4.117 -0.413 237 HD11 LEU 32 HD11 LEU 32 -11.765 -5.928 0.905 238 HD12 LEU 32 HD12 LEU 32 -11.161 -5.348 -0.647 239 HD13 LEU 32 HD13 LEU 32 -10.462 -4.740 0.853 240 HD21 LEU 32 HD21 LEU 32 -12.717 -3.275 2.404 241 HD22 LEU 32 HD22 LEU 32 -14.195 -3.636 1.512 242 HD23 LEU 32 HD23 LEU 32 -13.186 -4.950 2.115 243 H VAL 33 H VAL 33 -12.937 0.006 -2.581 244 HA VAL 33 HA VAL 33 -11.313 2.129 -1.580 245 HB VAL 33 HB VAL 33 -13.825 2.683 -3.065 246 HG11 VAL 33 HG11 VAL 33 -11.093 3.858 -2.857 247 HG12 VAL 33 HG12 VAL 33 -12.085 4.191 -4.277 248 HG13 VAL 33 HG13 VAL 33 -12.666 4.635 -2.672 249 HG21 VAL 33 HG21 VAL 33 -12.326 0.632 -3.966 250 HG22 VAL 33 HG22 VAL 33 -13.223 1.723 -5.022 251 HG23 VAL 33 HG23 VAL 33 -11.502 1.987 -4.738 252 H SER 34 H SER 34 -11.615 3.148 0.300 253 HA SER 34 HA SER 34 -14.300 2.997 1.493 254 HB2 SER 34 HB2 SER 34 -12.121 3.557 3.348 255 HB3 SER 34 HB3 SER 34 -13.375 2.320 3.425 256 HG SER 34 HG SER 34 -11.873 1.481 1.530 257 H TYR 35 H TYR 35 -15.324 4.837 1.327 258 HA TYR 35 HA TYR 35 -14.202 7.369 0.980 259 HB2 TYR 35 HB2 TYR 35 -16.309 7.756 0.404 260 HB3 TYR 35 HB3 TYR 35 -16.819 6.249 1.127 261 HD1 TYR 35 HD1 TYR 35 -16.190 9.821 1.911 262 HD2 TYR 35 HD2 TYR 35 -18.242 6.259 3.004 263 HE1 TYR 35 HE1 TYR 35 -17.465 11.082 3.590 264 HE2 TYR 35 HE2 TYR 35 -19.533 7.512 4.681 265 HH TYR 35 HH TYR 35 -19.331 11.020 4.924 266 HA PRO 36 HA PRO 36 -14.987 8.107 5.764 267 HB2 PRO 36 HB2 PRO 36 -14.396 5.905 7.295 268 HB3 PRO 36 HB3 PRO 36 -16.031 6.404 6.855 269 HG2 PRO 36 HG2 PRO 36 -14.281 4.328 5.598 270 HG3 PRO 36 HG3 PRO 36 -16.014 4.256 5.972 271 HD2 PRO 36 HD2 PRO 36 -15.150 4.725 3.486 272 HD3 PRO 36 HD3 PRO 36 -16.590 5.544 4.126 273 H LYS 37 H LYS 37 -12.547 6.714 3.973 274 HA LYS 37 HA LYS 37 -10.537 7.807 5.812 275 HB2 LYS 37 HB2 LYS 37 -9.727 5.495 4.128 276 HB3 LYS 37 HB3 LYS 37 -9.134 5.997 5.702 277 HG2 LYS 37 HG2 LYS 37 -11.001 5.022 6.808 278 HG3 LYS 37 HG3 LYS 37 -11.828 4.730 5.276 279 HD2 LYS 37 HD2 LYS 37 -10.604 2.880 4.813 280 HD3 LYS 37 HD3 LYS 37 -9.136 3.545 5.530 281 HE2 LYS 37 HE2 LYS 37 -11.223 3.031 7.495 282 HE3 LYS 37 HE3 LYS 37 -10.732 1.576 6.624 283 HZ1 LYS 37 HZ1 LYS 37 -8.492 1.880 7.301 284 HZ2 LYS 37 HZ2 LYS 37 -9.442 2.078 8.692 285 HZ3 LYS 37 HZ3 LYS 37 -8.805 3.436 7.904 286 H GLY 38 H GLY 38 -11.716 7.330 2.600 287 HA2 GLY 38 HA3 GLY 38 -11.246 8.540 0.683 288 HA3 GLY 38 HA2 GLY 38 -10.006 9.410 1.577 289 H THR 39 H THR 39 -9.964 5.980 1.661 290 HA THR 39 HA THR 39 -7.554 6.031 -0.026 291 HB THR 39 HB THR 39 -7.782 3.782 1.833 292 HG1 THR 39 HG1 THR 39 -7.281 6.349 2.951 293 HG21 THR 39 HG21 THR 39 -5.752 4.310 0.555 294 HG22 THR 39 HG22 THR 39 -5.453 4.364 2.292 295 HG23 THR 39 HG23 THR 39 -5.638 5.865 1.382 296 H ALA 40 H ALA 40 -7.283 4.500 -1.554 297 HA ALA 40 HA ALA 40 -9.570 2.759 -2.116 298 HB1 ALA 40 HB1 ALA 40 -7.200 3.227 -3.909 299 HB2 ALA 40 HB2 ALA 40 -8.807 2.643 -4.343 300 HB3 ALA 40 HB3 ALA 40 -8.578 4.327 -3.868 301 H GLN 41 H GLN 41 -9.152 1.215 -0.526 302 HA GLN 41 HA GLN 41 -6.581 -0.029 -0.279 303 HB2 GLN 41 HB2 GLN 41 -9.190 -1.066 0.828 304 HB3 GLN 41 HB3 GLN 41 -7.566 -1.369 1.431 305 HG2 GLN 41 HG2 GLN 41 -7.461 1.147 1.882 306 HG3 GLN 41 HG3 GLN 41 -9.207 1.131 1.648 307 HE21 GLN 41 HE21 GLN 41 -10.465 0.592 3.307 308 HE22 GLN 41 HE22 GLN 41 -9.911 -0.100 4.800 309 H LEU 42 H LEU 42 -6.119 -0.846 -2.303 310 HA LEU 42 HA LEU 42 -7.940 -2.897 -3.334 311 HB2 LEU 42 HB2 LEU 42 -6.280 -0.831 -4.589 312 HB3 LEU 42 HB3 LEU 42 -6.177 -2.403 -5.361 313 HG LEU 42 HG LEU 42 -8.922 -1.879 -4.893 314 HD11 LEU 42 HD11 LEU 42 -9.365 0.216 -5.679 315 HD12 LEU 42 HD12 LEU 42 -7.855 0.525 -4.819 316 HD13 LEU 42 HD13 LEU 42 -7.848 0.324 -6.572 317 HD21 LEU 42 HD21 LEU 42 -7.642 -1.567 -7.565 318 HD22 LEU 42 HD22 LEU 42 -7.560 -3.130 -6.750 319 HD23 LEU 42 HD23 LEU 42 -9.127 -2.406 -7.116 320 H ALA 43 H ALA 43 -7.359 -4.905 -3.155 321 HA ALA 43 HA ALA 43 -4.579 -5.655 -2.761 322 HB1 ALA 43 HB1 ALA 43 -5.710 -8.012 -2.797 323 HB2 ALA 43 HB2 ALA 43 -5.914 -6.969 -1.391 324 HB3 ALA 43 HB3 ALA 43 -7.200 -7.093 -2.593 325 H ILE 44 H ILE 44 -3.948 -4.840 -4.815 326 HA ILE 44 HA ILE 44 -4.983 -6.079 -7.211 327 HB ILE 44 HB ILE 44 -2.921 -4.737 -8.190 328 HG12 ILE 44 HG12 ILE 44 -3.547 -3.024 -5.801 329 HG13 ILE 44 HG13 ILE 44 -2.249 -4.212 -5.730 330 HG21 ILE 44 HG21 ILE 44 -4.482 -2.682 -8.147 331 HG22 ILE 44 HG22 ILE 44 -5.043 -4.164 -8.920 332 HG23 ILE 44 HG23 ILE 44 -5.599 -3.750 -7.298 333 HD11 ILE 44 HD11 ILE 44 -0.889 -2.771 -6.697 334 HD12 ILE 44 HD12 ILE 44 -1.934 -2.726 -8.117 335 HD13 ILE 44 HD13 ILE 44 -2.198 -1.592 -6.791 336 H VAL 45 H VAL 45 -3.708 -7.230 -8.714 337 HA VAL 45 HA VAL 45 -1.969 -9.140 -7.468 338 HB VAL 45 HB VAL 45 -3.484 -8.964 -9.906 339 HG11 VAL 45 HG11 VAL 45 -1.249 -8.554 -10.938 340 HG12 VAL 45 HG12 VAL 45 -0.736 -10.123 -10.318 341 HG13 VAL 45 HG13 VAL 45 -2.049 -10.025 -11.492 342 HG21 VAL 45 HG21 VAL 45 -3.063 -11.482 -9.808 343 HG22 VAL 45 HG22 VAL 45 -2.196 -11.145 -8.309 344 HG23 VAL 45 HG23 VAL 45 -3.906 -10.733 -8.451 345 HA PRO 46 HA PRO 46 1.940 -7.087 -8.007 346 HB2 PRO 46 HB2 PRO 46 2.893 -9.856 -8.553 347 HB3 PRO 46 HB3 PRO 46 3.512 -8.661 -7.407 348 HG2 PRO 46 HG2 PRO 46 2.072 -10.722 -6.546 349 HG3 PRO 46 HG3 PRO 46 1.852 -9.108 -5.844 350 HD2 PRO 46 HD2 PRO 46 0.137 -10.572 -7.805 351 HD3 PRO 46 HD3 PRO 46 -0.336 -9.515 -6.458 352 H GLY 47 H GLY 47 2.543 -6.053 -9.778 353 HA2 GLY 47 HA3 GLY 47 3.653 -6.423 -12.010 354 HA3 GLY 47 HA2 GLY 47 2.251 -7.427 -12.376 355 H THR 48 H THR 48 0.318 -5.829 -11.093 356 HA THR 48 HA THR 48 -0.010 -3.714 -13.027 357 HB THR 48 HB THR 48 -1.925 -3.804 -10.807 358 HG1 THR 48 HG1 THR 48 -1.680 -5.980 -10.749 359 HG21 THR 48 HG21 THR 48 -2.806 -4.472 -13.525 360 HG22 THR 48 HG22 THR 48 -1.924 -2.949 -13.407 361 HG23 THR 48 HG23 THR 48 -3.368 -3.210 -12.428 362 H SER 49 H SER 49 0.971 -1.854 -12.749 363 HA SER 49 HA SER 49 1.988 -1.090 -10.201 364 HB2 SER 49 HB2 SER 49 2.627 1.039 -11.520 365 HB3 SER 49 HB3 SER 49 3.368 -0.486 -12.008 366 HG SER 49 HG SER 49 1.838 1.185 -13.447 367 HA PRO 50 HA PRO 50 -1.457 1.212 -8.660 368 HB2 PRO 50 HB2 PRO 50 0.577 3.023 -7.484 369 HB3 PRO 50 HB3 PRO 50 -0.719 2.125 -6.689 370 HG2 PRO 50 HG2 PRO 50 1.828 1.352 -6.464 371 HG3 PRO 50 HG3 PRO 50 0.516 0.166 -6.591 372 HD2 PRO 50 HD2 PRO 50 2.465 1.071 -8.672 373 HD3 PRO 50 HD3 PRO 50 1.813 -0.552 -8.366 374 H ASP 51 H ASP 51 1.196 2.808 -10.298 375 HA ASP 51 HA ASP 51 -0.041 5.274 -10.808 376 HB2 ASP 51 HB2 ASP 51 1.793 5.711 -12.069 377 HB3 ASP 51 HB3 ASP 51 2.396 4.207 -11.386 378 H ALA 52 H ALA 52 -0.496 2.127 -12.224 379 HA ALA 52 HA ALA 52 -1.834 3.097 -14.587 380 HB1 ALA 52 HB1 ALA 52 -1.218 0.428 -13.433 381 HB2 ALA 52 HB2 ALA 52 -2.567 0.540 -14.563 382 HB3 ALA 52 HB3 ALA 52 -0.953 1.046 -15.063 383 H LEU 53 H LEU 53 -2.698 1.972 -11.416 384 HA LEU 53 HA LEU 53 -5.514 1.831 -11.862 385 HB2 LEU 53 HB2 LEU 53 -3.734 1.845 -9.462 386 HB3 LEU 53 HB3 LEU 53 -5.460 2.054 -9.254 387 HG LEU 53 HG LEU 53 -5.477 -0.162 -10.775 388 HD11 LEU 53 HD11 LEU 53 -3.607 -1.572 -9.576 389 HD12 LEU 53 HD12 LEU 53 -3.272 -0.694 -11.068 390 HD13 LEU 53 HD13 LEU 53 -2.786 -0.012 -9.516 391 HD21 LEU 53 HD21 LEU 53 -5.829 -1.403 -8.737 392 HD22 LEU 53 HD22 LEU 53 -5.018 -0.150 -7.796 393 HD23 LEU 53 HD23 LEU 53 -6.556 0.197 -8.586 394 H THR 54 H THR 54 -3.296 4.156 -10.396 395 HA THR 54 HA THR 54 -5.087 6.194 -9.778 396 HB THR 54 HB THR 54 -2.256 6.538 -10.782 397 HG1 THR 54 HG1 THR 54 -2.212 5.108 -9.052 398 HG21 THR 54 HG21 THR 54 -3.626 8.252 -8.742 399 HG22 THR 54 HG22 THR 54 -3.848 8.555 -10.465 400 HG23 THR 54 HG23 THR 54 -2.234 8.626 -9.760 401 H ALA 55 H ALA 55 -3.341 5.465 -12.760 402 HA ALA 55 HA ALA 55 -4.266 7.663 -14.274 403 HB1 ALA 55 HB1 ALA 55 -3.428 6.503 -16.197 404 HB2 ALA 55 HB2 ALA 55 -2.308 6.245 -14.859 405 HB3 ALA 55 HB3 ALA 55 -3.427 4.968 -15.328 406 H ALA 56 H ALA 56 -5.534 4.421 -13.737 407 HA ALA 56 HA ALA 56 -7.624 4.536 -15.628 408 HB1 ALA 56 HB1 ALA 56 -8.201 2.992 -13.209 409 HB2 ALA 56 HB2 ALA 56 -8.132 2.480 -14.896 410 HB3 ALA 56 HB3 ALA 56 -6.647 2.617 -13.954 411 H VAL 57 H VAL 57 -7.517 5.349 -12.180 412 HA VAL 57 HA VAL 57 -10.224 6.174 -12.001 413 HB VAL 57 HB VAL 57 -7.913 7.083 -10.271 414 HG11 VAL 57 HG11 VAL 57 -9.963 7.104 -8.607 415 HG12 VAL 57 HG12 VAL 57 -9.604 8.484 -9.642 416 HG13 VAL 57 HG13 VAL 57 -10.870 7.345 -10.099 417 HG21 VAL 57 HG21 VAL 57 -7.951 4.694 -10.224 418 HG22 VAL 57 HG22 VAL 57 -8.692 5.272 -8.731 419 HG23 VAL 57 HG23 VAL 57 -9.706 4.671 -10.045 420 H ALA 58 H ALA 58 -7.186 7.827 -12.717 421 HA ALA 58 HA ALA 58 -8.200 10.453 -12.828 422 HB1 ALA 58 HB1 ALA 58 -5.793 9.879 -12.806 423 HB2 ALA 58 HB2 ALA 58 -5.946 9.297 -14.464 424 HB3 ALA 58 HB3 ALA 58 -6.222 11.000 -14.100 425 H GLY 59 H GLY 59 -8.019 7.889 -15.240 426 HA2 GLY 59 HA3 GLY 59 -9.220 9.550 -17.286 427 HA3 GLY 59 HA2 GLY 59 -8.761 7.861 -17.443 428 H LEU 60 H LEU 60 -10.381 7.666 -14.728 429 HA LEU 60 HA LEU 60 -12.812 6.787 -15.941 430 HB2 LEU 60 HB2 LEU 60 -11.521 6.512 -13.439 431 HB3 LEU 60 HB3 LEU 60 -13.127 7.141 -13.143 432 HG LEU 60 HG LEU 60 -12.807 4.615 -13.120 433 HD11 LEU 60 HD11 LEU 60 -14.999 5.166 -12.995 434 HD12 LEU 60 HD12 LEU 60 -14.940 6.187 -14.432 435 HD13 LEU 60 HD13 LEU 60 -15.001 4.432 -14.599 436 HD21 LEU 60 HD21 LEU 60 -12.493 3.442 -15.041 437 HD22 LEU 60 HD22 LEU 60 -13.245 4.678 -16.050 438 HD23 LEU 60 HD23 LEU 60 -11.595 4.899 -15.465 439 H GLY 61 H GLY 61 -11.735 9.821 -14.946 440 HA2 GLY 61 HA3 GLY 61 -13.187 11.692 -15.617 441 HA3 GLY 61 HA2 GLY 61 -14.519 10.812 -14.882 442 H TYR 62 H TYR 62 -12.080 10.198 -12.894 443 HA TYR 62 HA TYR 62 -12.501 12.622 -11.272 444 HB2 TYR 62 HB2 TYR 62 -11.748 10.055 -9.951 445 HB3 TYR 62 HB3 TYR 62 -12.744 11.373 -9.350 446 HD1 TYR 62 HD1 TYR 62 -12.717 8.301 -11.360 447 HD2 TYR 62 HD2 TYR 62 -15.131 11.413 -9.751 448 HE1 TYR 62 HE1 TYR 62 -14.734 6.994 -11.875 449 HE2 TYR 62 HE2 TYR 62 -17.157 10.110 -10.254 450 HH TYR 62 HH TYR 62 -17.193 6.929 -10.849 451 H LYS 63 H LYS 63 -10.580 12.026 -9.323 452 HA LYS 63 HA LYS 63 -8.088 11.639 -10.804 453 HB2 LYS 63 HB2 LYS 63 -9.013 14.140 -9.751 454 HB3 LYS 63 HB3 LYS 63 -7.594 13.629 -8.844 455 HG2 LYS 63 HG2 LYS 63 -6.666 14.853 -10.560 456 HG3 LYS 63 HG3 LYS 63 -6.555 13.203 -11.175 457 HD2 LYS 63 HD2 LYS 63 -9.072 14.151 -11.975 458 HD3 LYS 63 HD3 LYS 63 -7.946 15.476 -12.273 459 HE2 LYS 63 HE2 LYS 63 -6.812 14.338 -13.876 460 HE3 LYS 63 HE3 LYS 63 -7.068 12.776 -13.103 461 HZ1 LYS 63 HZ1 LYS 63 -9.451 14.052 -14.164 462 HZ2 LYS 63 HZ2 LYS 63 -8.969 12.428 -14.231 463 HZ3 LYS 63 HZ3 LYS 63 -8.317 13.551 -15.323 464 H ALA 64 H ALA 64 -6.311 10.984 -9.459 465 HA ALA 64 HA ALA 64 -6.966 10.210 -6.740 466 HB1 ALA 64 HB1 ALA 64 -6.994 8.342 -8.974 467 HB2 ALA 64 HB2 ALA 64 -5.913 7.849 -7.670 468 HB3 ALA 64 HB3 ALA 64 -7.614 8.160 -7.333 469 H THR 65 H THR 65 -5.045 8.732 -5.963 470 HA THR 65 HA THR 65 -2.455 9.520 -7.013 471 HB THR 65 HB THR 65 -2.635 9.799 -4.086 472 HG1 THR 65 HG1 THR 65 -4.095 11.424 -5.847 473 HG21 THR 65 HG21 THR 65 -0.661 10.255 -5.735 474 HG22 THR 65 HG22 THR 65 -0.927 11.341 -4.369 475 HG23 THR 65 HG23 THR 65 -1.476 11.801 -5.980 476 H LEU 66 H LEU 66 -1.051 8.473 -4.669 477 HA LEU 66 HA LEU 66 -2.117 5.810 -4.313 478 HB2 LEU 66 HB2 LEU 66 -0.248 4.636 -5.277 479 HB3 LEU 66 HB3 LEU 66 -0.988 5.662 -6.491 480 HG LEU 66 HG LEU 66 1.158 7.083 -5.204 481 HD11 LEU 66 HD11 LEU 66 2.518 5.352 -4.757 482 HD12 LEU 66 HD12 LEU 66 1.640 4.252 -5.819 483 HD13 LEU 66 HD13 LEU 66 2.813 5.381 -6.496 484 HD21 LEU 66 HD21 LEU 66 0.668 7.885 -7.282 485 HD22 LEU 66 HD22 LEU 66 1.983 6.791 -7.709 486 HD23 LEU 66 HD23 LEU 66 0.310 6.286 -7.936 487 H ALA 67 H ALA 67 -1.195 4.664 -2.656 488 HA ALA 67 HA ALA 67 1.061 5.810 -1.207 489 HB1 ALA 67 HB1 ALA 67 -0.463 5.240 0.915 490 HB2 ALA 67 HB2 ALA 67 -0.450 6.835 0.162 491 HB3 ALA 67 HB3 ALA 67 -1.737 5.690 -0.219 492 H ASP 68 H ASP 68 1.821 3.859 -2.379 493 HA ASP 68 HA ASP 68 0.798 1.283 -1.785 494 HB2 ASP 68 HB2 ASP 68 1.951 1.680 -3.865 495 HB3 ASP 68 HB3 ASP 68 3.399 2.164 -3.005 496 H ALA 69 H ALA 69 0.731 1.181 0.440 497 HA ALA 69 HA ALA 69 3.162 0.136 1.612 498 HB1 ALA 69 HB1 ALA 69 2.026 1.766 3.642 499 HB2 ALA 69 HB2 ALA 69 3.631 1.877 2.919 500 HB3 ALA 69 HB3 ALA 69 2.286 2.777 2.221 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -0.682 1.092 -5.632 2 H2 MET 1 H2 MET 1 -1.557 0.210 -6.778 3 H3 MET 1 H3 MET 1 0.130 0.101 -6.740 4 HA MET 1 HA MET 1 -1.599 -1.602 -5.540 5 HB2 MET 1 HB2 MET 1 1.311 -0.963 -5.055 6 HB3 MET 1 HB3 MET 1 0.508 -2.311 -4.257 7 HG2 MET 1 HG2 MET 1 1.561 -3.254 -6.104 8 HG3 MET 1 HG3 MET 1 -0.129 -3.100 -6.582 9 HE1 MET 1 HE1 MET 1 2.696 -3.241 -8.737 10 HE2 MET 1 HE2 MET 1 3.464 -1.654 -8.699 11 HE3 MET 1 HE3 MET 1 3.345 -2.612 -7.221 12 H THR 2 H THR 2 -1.625 -2.252 -3.213 13 HA THR 2 HA THR 2 -2.257 -1.839 -1.071 14 HB THR 2 HB THR 2 -0.573 0.489 -0.632 15 HG1 THR 2 HG1 THR 2 1.331 -0.330 -1.347 16 HG21 THR 2 HG21 THR 2 -0.266 -0.549 1.324 17 HG22 THR 2 HG22 THR 2 0.269 -2.032 0.534 18 HG23 THR 2 HG23 THR 2 -1.452 -1.732 0.771 19 H HIS 3 H HIS 3 -1.592 1.232 -0.366 20 HA HIS 3 HA HIS 3 -4.402 1.987 -0.561 21 HB2 HIS 3 HB2 HIS 3 -2.094 2.883 1.134 22 HB3 HIS 3 HB3 HIS 3 -3.498 3.926 0.948 23 HD1 HIS 3 HD1 HIS 3 -2.195 1.314 3.016 24 HD2 HIS 3 HD2 HIS 3 -5.991 2.477 1.758 25 HE1 HIS 3 HE1 HIS 3 -3.805 0.253 4.634 26 HE2 HIS 3 HE2 HIS 3 -6.062 1.188 4.006 27 H LEU 4 H LEU 4 -5.127 3.578 -1.829 28 HA LEU 4 HA LEU 4 -3.261 5.664 -2.688 29 HB2 LEU 4 HB2 LEU 4 -4.684 5.649 -4.903 30 HB3 LEU 4 HB3 LEU 4 -3.297 4.595 -4.723 31 HG LEU 4 HG LEU 4 -5.693 3.282 -3.789 32 HD11 LEU 4 HD11 LEU 4 -6.254 3.172 -6.476 33 HD12 LEU 4 HD12 LEU 4 -7.170 4.067 -5.263 34 HD13 LEU 4 HD13 LEU 4 -5.924 4.883 -6.206 35 HD21 LEU 4 HD21 LEU 4 -4.693 2.058 -6.097 36 HD22 LEU 4 HD22 LEU 4 -3.293 2.761 -5.288 37 HD23 LEU 4 HD23 LEU 4 -4.339 1.636 -4.421 38 H LYS 5 H LYS 5 -4.143 7.697 -2.674 39 HA LYS 5 HA LYS 5 -6.678 7.967 -1.312 40 HB2 LYS 5 HB2 LYS 5 -5.210 10.313 -2.450 41 HB3 LYS 5 HB3 LYS 5 -6.131 10.197 -0.961 42 HG2 LYS 5 HG2 LYS 5 -4.335 9.640 0.237 43 HG3 LYS 5 HG3 LYS 5 -3.758 8.502 -0.984 44 HD2 LYS 5 HD2 LYS 5 -2.262 10.496 -0.529 45 HD3 LYS 5 HD3 LYS 5 -2.692 10.222 -2.219 46 HE2 LYS 5 HE2 LYS 5 -3.272 12.384 -2.242 47 HE3 LYS 5 HE3 LYS 5 -4.706 11.872 -1.355 48 HZ1 LYS 5 HZ1 LYS 5 -2.176 12.907 -0.197 49 HZ2 LYS 5 HZ2 LYS 5 -3.457 12.278 0.718 50 HZ3 LYS 5 HZ3 LYS 5 -3.685 13.683 -0.206 51 H ILE 6 H ILE 6 -8.577 8.251 -2.270 52 HA ILE 6 HA ILE 6 -8.617 8.782 -5.136 53 HB ILE 6 HB ILE 6 -10.126 7.056 -3.592 54 HG12 ILE 6 HG12 ILE 6 -11.618 7.405 -5.892 55 HG13 ILE 6 HG13 ILE 6 -10.025 8.004 -6.345 56 HG21 ILE 6 HG21 ILE 6 -11.434 9.060 -2.804 57 HG22 ILE 6 HG22 ILE 6 -12.014 9.226 -4.460 58 HG23 ILE 6 HG23 ILE 6 -12.378 7.765 -3.540 59 HD11 ILE 6 HD11 ILE 6 -10.210 5.675 -6.892 60 HD12 ILE 6 HD12 ILE 6 -9.049 5.881 -5.582 61 HD13 ILE 6 HD13 ILE 6 -10.672 5.287 -5.235 62 H THR 7 H THR 7 -9.735 10.542 -6.029 63 HA THR 7 HA THR 7 -10.529 12.655 -4.182 64 HB THR 7 HB THR 7 -9.024 13.908 -6.227 65 HG1 THR 7 HG1 THR 7 -8.075 11.492 -5.802 66 HG21 THR 7 HG21 THR 7 -7.480 14.032 -3.943 67 HG22 THR 7 HG22 THR 7 -9.103 13.745 -3.318 68 HG23 THR 7 HG23 THR 7 -8.794 15.132 -4.361 69 H GLY 8 H GLY 8 -11.771 14.309 -5.227 70 HA2 GLY 8 HA3 GLY 8 -12.958 15.062 -7.193 71 HA3 GLY 8 HA2 GLY 8 -12.918 13.413 -7.794 72 H MET 9 H MET 9 -13.671 11.977 -5.639 73 HA MET 9 HA MET 9 -15.936 12.977 -4.254 74 HB2 MET 9 HB2 MET 9 -16.468 12.157 -6.902 75 HB3 MET 9 HB3 MET 9 -17.061 10.866 -5.866 76 HG2 MET 9 HG2 MET 9 -18.058 13.596 -6.244 77 HG3 MET 9 HG3 MET 9 -18.918 12.118 -5.817 78 HE1 MET 9 HE1 MET 9 -17.255 15.285 -4.809 79 HE2 MET 9 HE2 MET 9 -18.977 15.426 -4.450 80 HE3 MET 9 HE3 MET 9 -17.792 15.510 -3.144 81 H THR 10 H THR 10 -16.569 11.528 -2.623 82 HA THR 10 HA THR 10 -15.023 9.024 -2.535 83 HB THR 10 HB THR 10 -15.076 10.133 0.074 84 HG1 THR 10 HG1 THR 10 -15.143 12.200 -0.545 85 HG21 THR 10 HG21 THR 10 -12.661 9.992 -0.130 86 HG22 THR 10 HG22 THR 10 -12.797 9.855 -1.884 87 HG23 THR 10 HG23 THR 10 -13.415 8.569 -0.845 88 H CYS 11 H CYS 11 -17.515 10.926 -0.854 89 HA CYS 11 HA CYS 11 -18.134 9.488 1.268 90 HB2 CYS 11 HB2 CYS 11 -20.676 10.139 0.498 91 HB3 CYS 11 HB3 CYS 11 -19.534 11.232 1.273 92 H ASP 12 H ASP 12 -19.736 8.650 -1.833 93 HA ASP 12 HA ASP 12 -19.709 5.893 -1.214 94 HB2 ASP 12 HB2 ASP 12 -21.504 6.798 0.381 95 HB3 ASP 12 HB3 ASP 12 -22.472 7.113 -1.055 96 H SER 13 H SER 13 -20.554 4.621 -2.925 97 HA SER 13 HA SER 13 -21.373 4.062 -4.945 98 HB2 SER 13 HB2 SER 13 -22.420 6.865 -5.293 99 HB3 SER 13 HB3 SER 13 -23.017 5.380 -6.032 100 HG SER 13 HG SER 13 -23.005 5.193 -3.316 101 H CYS 14 H CYS 14 -20.060 7.407 -5.156 102 HA CYS 14 HA CYS 14 -18.950 7.078 -7.722 103 HB2 CYS 14 HB2 CYS 14 -17.246 8.825 -6.348 104 HB3 CYS 14 HB3 CYS 14 -18.626 9.265 -7.345 105 H ALA 15 H ALA 15 -17.416 6.842 -4.522 106 HA ALA 15 HA ALA 15 -15.073 5.536 -5.532 107 HB1 ALA 15 HB1 ALA 15 -14.721 6.783 -3.580 108 HB2 ALA 15 HB2 ALA 15 -16.133 6.094 -2.781 109 HB3 ALA 15 HB3 ALA 15 -14.695 5.106 -3.035 110 H ALA 16 H ALA 16 -17.024 4.137 -6.593 111 HA ALA 16 HA ALA 16 -16.788 1.507 -5.476 112 HB1 ALA 16 HB1 ALA 16 -18.785 1.219 -4.501 113 HB2 ALA 16 HB2 ALA 16 -18.917 2.978 -4.503 114 HB3 ALA 16 HB3 ALA 16 -19.633 2.038 -5.812 115 H HIS 17 H HIS 17 -18.541 3.632 -7.752 116 HA HIS 17 HA HIS 17 -18.632 1.708 -9.833 117 HB2 HIS 17 HB2 HIS 17 -19.764 4.081 -9.643 118 HB3 HIS 17 HB3 HIS 17 -18.293 4.609 -10.445 119 HD1 HIS 17 HD1 HIS 17 -21.508 4.119 -11.417 120 HD2 HIS 17 HD2 HIS 17 -17.969 2.376 -12.737 121 HE1 HIS 17 HE1 HIS 17 -21.984 3.286 -13.738 122 HE2 HIS 17 HE2 HIS 17 -19.752 2.501 -14.601 123 H VAL 18 H VAL 18 -16.243 4.010 -8.736 124 HA VAL 18 HA VAL 18 -14.274 3.560 -10.694 125 HB VAL 18 HB VAL 18 -13.962 4.268 -7.764 126 HG11 VAL 18 HG11 VAL 18 -11.711 4.754 -8.109 127 HG12 VAL 18 HG12 VAL 18 -11.935 3.233 -8.973 128 HG13 VAL 18 HG13 VAL 18 -11.880 4.754 -9.865 129 HG21 VAL 18 HG21 VAL 18 -14.334 6.406 -8.307 130 HG22 VAL 18 HG22 VAL 18 -13.376 6.293 -9.783 131 HG23 VAL 18 HG23 VAL 18 -15.057 5.764 -9.782 132 H LYS 19 H LYS 19 -15.103 1.904 -7.694 133 HA LYS 19 HA LYS 19 -13.040 -0.010 -7.733 134 HB2 LYS 19 HB2 LYS 19 -14.110 0.030 -5.691 135 HB3 LYS 19 HB3 LYS 19 -15.700 0.227 -6.402 136 HG2 LYS 19 HG2 LYS 19 -15.340 -2.202 -7.210 137 HG3 LYS 19 HG3 LYS 19 -14.111 -2.254 -5.950 138 HD2 LYS 19 HD2 LYS 19 -16.132 -1.171 -4.562 139 HD3 LYS 19 HD3 LYS 19 -17.055 -2.111 -5.735 140 HE2 LYS 19 HE2 LYS 19 -14.768 -3.363 -4.272 141 HE3 LYS 19 HE3 LYS 19 -16.336 -3.197 -3.486 142 HZ1 LYS 19 HZ1 LYS 19 -15.624 -4.772 -5.885 143 HZ2 LYS 19 HZ2 LYS 19 -17.230 -4.311 -5.591 144 HZ3 LYS 19 HZ3 LYS 19 -16.417 -5.281 -4.475 145 H GLU 20 H GLU 20 -16.252 0.081 -9.187 146 HA GLU 20 HA GLU 20 -16.312 -2.530 -10.216 147 HB2 GLU 20 HB2 GLU 20 -18.137 -0.635 -10.141 148 HB3 GLU 20 HB3 GLU 20 -17.511 -0.245 -11.737 149 HG2 GLU 20 HG2 GLU 20 -17.885 -2.993 -11.794 150 HG3 GLU 20 HG3 GLU 20 -19.277 -2.372 -10.910 151 H ALA 21 H ALA 21 -15.252 0.512 -11.726 152 HA ALA 21 HA ALA 21 -14.371 -0.648 -14.142 153 HB1 ALA 21 HB1 ALA 21 -13.363 1.428 -14.627 154 HB2 ALA 21 HB2 ALA 21 -14.805 1.802 -13.685 155 HB3 ALA 21 HB3 ALA 21 -13.218 1.844 -12.920 156 H LEU 22 H LEU 22 -12.766 -0.072 -11.055 157 HA LEU 22 HA LEU 22 -10.174 -0.888 -11.831 158 HB2 LEU 22 HB2 LEU 22 -11.432 -0.001 -9.485 159 HB3 LEU 22 HB3 LEU 22 -10.789 -1.584 -9.098 160 HG LEU 22 HG LEU 22 -9.236 0.239 -8.526 161 HD11 LEU 22 HD11 LEU 22 -8.258 -1.534 -10.756 162 HD12 LEU 22 HD12 LEU 22 -7.254 -0.727 -9.551 163 HD13 LEU 22 HD13 LEU 22 -8.385 -1.986 -9.057 164 HD21 LEU 22 HD21 LEU 22 -9.450 0.809 -11.463 165 HD22 LEU 22 HD22 LEU 22 -9.636 1.916 -10.104 166 HD23 LEU 22 HD23 LEU 22 -8.040 1.298 -10.524 167 H GLU 23 H GLU 23 -12.872 -2.673 -10.338 168 HA GLU 23 HA GLU 23 -11.520 -5.159 -10.302 169 HB2 GLU 23 HB2 GLU 23 -14.240 -4.191 -9.749 170 HB3 GLU 23 HB3 GLU 23 -14.156 -5.856 -10.310 171 HG2 GLU 23 HG2 GLU 23 -12.936 -6.553 -8.490 172 HG3 GLU 23 HG3 GLU 23 -12.339 -4.935 -8.137 173 H LYS 24 H LYS 24 -13.018 -3.388 -12.806 174 HA LYS 24 HA LYS 24 -13.474 -5.575 -14.585 175 HB2 LYS 24 HB2 LYS 24 -14.053 -2.892 -14.632 176 HB3 LYS 24 HB3 LYS 24 -12.758 -3.006 -15.817 177 HG2 LYS 24 HG2 LYS 24 -13.991 -4.315 -17.244 178 HG3 LYS 24 HG3 LYS 24 -15.019 -4.938 -15.951 179 HD2 LYS 24 HD2 LYS 24 -15.073 -2.100 -16.972 180 HD3 LYS 24 HD3 LYS 24 -16.191 -3.368 -17.475 181 HE2 LYS 24 HE2 LYS 24 -15.822 -2.555 -14.603 182 HE3 LYS 24 HE3 LYS 24 -17.013 -1.801 -15.663 183 HZ1 LYS 24 HZ1 LYS 24 -17.843 -4.147 -16.066 184 HZ2 LYS 24 HZ2 LYS 24 -18.162 -3.477 -14.541 185 HZ3 LYS 24 HZ3 LYS 24 -16.908 -4.608 -14.727 186 H VAL 25 H VAL 25 -10.667 -4.055 -13.410 187 HA VAL 25 HA VAL 25 -8.963 -4.845 -15.617 188 HB VAL 25 HB VAL 25 -8.256 -3.932 -12.815 189 HG11 VAL 25 HG11 VAL 25 -6.568 -5.310 -14.269 190 HG12 VAL 25 HG12 VAL 25 -6.371 -3.778 -15.116 191 HG13 VAL 25 HG13 VAL 25 -6.034 -3.878 -13.390 192 HG21 VAL 25 HG21 VAL 25 -7.605 -1.809 -14.054 193 HG22 VAL 25 HG22 VAL 25 -8.542 -2.443 -15.409 194 HG23 VAL 25 HG23 VAL 25 -9.329 -2.121 -13.863 195 HA PRO 26 HA PRO 26 -8.972 -8.994 -14.039 196 HB2 PRO 26 HB2 PRO 26 -7.551 -10.168 -15.973 197 HB3 PRO 26 HB3 PRO 26 -9.144 -9.473 -16.316 198 HG2 PRO 26 HG2 PRO 26 -6.427 -8.267 -16.765 199 HG3 PRO 26 HG3 PRO 26 -7.792 -8.371 -17.894 200 HD2 PRO 26 HD2 PRO 26 -7.260 -6.141 -16.431 201 HD3 PRO 26 HD3 PRO 26 -8.907 -6.611 -16.902 202 H GLY 27 H GLY 27 -7.194 -7.342 -12.682 203 HA2 GLY 27 HA3 GLY 27 -5.219 -9.393 -11.996 204 HA3 GLY 27 HA2 GLY 27 -4.629 -7.760 -12.307 205 H VAL 28 H VAL 28 -7.736 -7.828 -11.088 206 HA VAL 28 HA VAL 28 -6.782 -6.687 -8.583 207 HB VAL 28 HB VAL 28 -9.380 -6.517 -10.085 208 HG11 VAL 28 HG11 VAL 28 -9.106 -6.410 -7.283 209 HG12 VAL 28 HG12 VAL 28 -9.286 -4.741 -7.826 210 HG13 VAL 28 HG13 VAL 28 -10.507 -5.942 -8.247 211 HG21 VAL 28 HG21 VAL 28 -8.044 -4.076 -9.208 212 HG22 VAL 28 HG22 VAL 28 -7.064 -5.072 -10.283 213 HG23 VAL 28 HG23 VAL 28 -8.660 -4.526 -10.797 214 H GLN 29 H GLN 29 -6.853 -7.871 -6.775 215 HA GLN 29 HA GLN 29 -8.518 -10.250 -6.648 216 HB2 GLN 29 HB2 GLN 29 -6.713 -9.093 -4.516 217 HB3 GLN 29 HB3 GLN 29 -7.406 -10.709 -4.546 218 HG2 GLN 29 HG2 GLN 29 -5.915 -10.246 -6.948 219 HG3 GLN 29 HG3 GLN 29 -4.923 -9.869 -5.541 220 HE21 GLN 29 HE21 GLN 29 -5.527 -11.625 -3.693 221 HE22 GLN 29 HE22 GLN 29 -5.301 -13.256 -4.240 222 H SER 30 H SER 30 -8.180 -7.140 -4.977 223 HA SER 30 HA SER 30 -11.026 -7.106 -4.460 224 HB2 SER 30 HB2 SER 30 -9.137 -6.809 -2.118 225 HB3 SER 30 HB3 SER 30 -10.896 -6.847 -2.077 226 HG SER 30 HG SER 30 -10.215 -9.070 -3.242 227 H ALA 31 H ALA 31 -11.674 -5.117 -4.985 228 HA ALA 31 HA ALA 31 -9.792 -2.882 -4.613 229 HB1 ALA 31 HB1 ALA 31 -10.389 -2.299 -6.676 230 HB2 ALA 31 HB2 ALA 31 -11.589 -3.592 -6.734 231 HB3 ALA 31 HB3 ALA 31 -12.027 -2.011 -6.086 232 H LEU 32 H LEU 32 -10.271 -2.787 -2.338 233 HA LEU 32 HA LEU 32 -13.047 -2.199 -1.623 234 HB2 LEU 32 HB2 LEU 32 -10.901 -3.606 -0.365 235 HB3 LEU 32 HB3 LEU 32 -11.389 -2.279 0.672 236 HG LEU 32 HG LEU 32 -13.765 -3.128 0.448 237 HD11 LEU 32 HD11 LEU 32 -12.343 -5.552 -0.642 238 HD12 LEU 32 HD12 LEU 32 -14.045 -5.467 -0.188 239 HD13 LEU 32 HD13 LEU 32 -13.444 -4.505 -1.539 240 HD21 LEU 32 HD21 LEU 32 -13.104 -5.239 1.919 241 HD22 LEU 32 HD22 LEU 32 -11.536 -4.433 1.898 242 HD23 LEU 32 HD23 LEU 32 -12.952 -3.587 2.520 243 H VAL 33 H VAL 33 -13.052 -0.073 -2.457 244 HA VAL 33 HA VAL 33 -11.272 1.935 -1.502 245 HB VAL 33 HB VAL 33 -13.985 2.607 -2.519 246 HG11 VAL 33 HG11 VAL 33 -12.309 4.226 -3.809 247 HG12 VAL 33 HG12 VAL 33 -12.908 4.570 -2.187 248 HG13 VAL 33 HG13 VAL 33 -11.311 3.854 -2.402 249 HG21 VAL 33 HG21 VAL 33 -11.726 1.786 -4.333 250 HG22 VAL 33 HG22 VAL 33 -13.095 0.748 -3.937 251 HG23 VAL 33 HG23 VAL 33 -13.358 2.262 -4.799 252 H SER 34 H SER 34 -11.374 3.159 0.268 253 HA SER 34 HA SER 34 -13.591 2.711 2.120 254 HB2 SER 34 HB2 SER 34 -11.065 4.204 2.784 255 HB3 SER 34 HB3 SER 34 -12.128 3.289 3.856 256 HG SER 34 HG SER 34 -11.436 1.406 2.540 257 H TYR 35 H TYR 35 -15.130 4.018 1.289 258 HA TYR 35 HA TYR 35 -14.842 6.602 0.318 259 HB2 TYR 35 HB2 TYR 35 -17.421 6.209 1.616 260 HB3 TYR 35 HB3 TYR 35 -17.044 6.476 -0.074 261 HD1 TYR 35 HD2 TYR 35 -17.595 3.930 2.522 262 HD2 TYR 35 HD1 TYR 35 -16.813 4.614 -1.602 263 HE1 TYR 35 HE2 TYR 35 -18.181 1.591 2.025 264 HE2 TYR 35 HE1 TYR 35 -17.397 2.283 -2.108 265 HH TYR 35 HH TYR 35 -17.414 0.072 -0.837 266 HA PRO 36 HA PRO 36 -16.024 8.383 4.637 267 HB2 PRO 36 HB2 PRO 36 -15.591 6.301 6.630 268 HB3 PRO 36 HB3 PRO 36 -17.045 7.246 6.306 269 HG2 PRO 36 HG2 PRO 36 -16.878 4.601 5.768 270 HG3 PRO 36 HG3 PRO 36 -17.864 5.715 4.801 271 HD2 PRO 36 HD2 PRO 36 -15.132 4.618 4.228 272 HD3 PRO 36 HD3 PRO 36 -16.526 4.790 3.139 273 H LYS 37 H LYS 37 -13.331 7.194 3.535 274 HA LYS 37 HA LYS 37 -11.683 8.306 5.701 275 HB2 LYS 37 HB2 LYS 37 -11.185 5.757 4.173 276 HB3 LYS 37 HB3 LYS 37 -9.930 6.581 5.081 277 HG2 LYS 37 HG2 LYS 37 -12.504 5.729 6.361 278 HG3 LYS 37 HG3 LYS 37 -11.125 4.637 6.209 279 HD2 LYS 37 HD2 LYS 37 -10.189 5.545 8.006 280 HD3 LYS 37 HD3 LYS 37 -10.197 7.129 7.228 281 HE2 LYS 37 HE2 LYS 37 -12.828 6.746 8.004 282 HE3 LYS 37 HE3 LYS 37 -11.891 6.086 9.344 283 HZ1 LYS 37 HZ1 LYS 37 -10.743 8.147 9.583 284 HZ2 LYS 37 HZ2 LYS 37 -12.406 8.487 9.549 285 HZ3 LYS 37 HZ3 LYS 37 -11.453 8.784 8.181 286 H GLY 38 H GLY 38 -12.143 7.661 2.294 287 HA2 GLY 38 HA3 GLY 38 -11.587 9.189 0.592 288 HA3 GLY 38 HA2 GLY 38 -10.455 9.967 1.688 289 H THR 39 H THR 39 -10.299 6.562 1.606 290 HA THR 39 HA THR 39 -7.995 6.677 -0.218 291 HB THR 39 HB THR 39 -7.458 4.661 1.670 292 HG1 THR 39 HG1 THR 39 -7.763 7.066 3.114 293 HG21 THR 39 HG21 THR 39 -6.087 7.235 2.043 294 HG22 THR 39 HG22 THR 39 -6.099 6.636 0.384 295 HG23 THR 39 HG23 THR 39 -5.427 5.641 1.675 296 H ALA 40 H ALA 40 -7.373 4.491 -1.023 297 HA ALA 40 HA ALA 40 -9.674 2.652 -1.080 298 HB1 ALA 40 HB1 ALA 40 -8.935 2.073 -3.409 299 HB2 ALA 40 HB2 ALA 40 -9.592 3.699 -3.217 300 HB3 ALA 40 HB3 ALA 40 -7.847 3.460 -3.333 301 H GLN 41 H GLN 41 -9.250 0.621 -0.501 302 HA GLN 41 HA GLN 41 -6.464 -0.218 -0.178 303 HB2 GLN 41 HB2 GLN 41 -8.968 -1.750 0.565 304 HB3 GLN 41 HB3 GLN 41 -7.324 -2.087 1.088 305 HG2 GLN 41 HG2 GLN 41 -7.293 -0.027 2.375 306 HG3 GLN 41 HG3 GLN 41 -8.923 0.358 1.817 307 HE21 GLN 41 HE21 GLN 41 -7.044 -2.051 3.592 308 HE22 GLN 41 HE22 GLN 41 -8.341 -2.552 4.626 309 H LEU 42 H LEU 42 -5.798 -0.607 -2.270 310 HA LEU 42 HA LEU 42 -7.525 -2.332 -3.901 311 HB2 LEU 42 HB2 LEU 42 -5.770 -0.081 -4.480 312 HB3 LEU 42 HB3 LEU 42 -5.473 -1.451 -5.534 313 HG LEU 42 HG LEU 42 -7.667 -1.407 -6.405 314 HD11 LEU 42 HD11 LEU 42 -9.493 -0.168 -5.529 315 HD12 LEU 42 HD12 LEU 42 -8.769 -1.045 -4.180 316 HD13 LEU 42 HD13 LEU 42 -8.453 0.679 -4.385 317 HD21 LEU 42 HD21 LEU 42 -7.366 0.403 -7.659 318 HD22 LEU 42 HD22 LEU 42 -7.569 1.488 -6.282 319 HD23 LEU 42 HD23 LEU 42 -5.991 0.777 -6.618 320 H ALA 43 H ALA 43 -7.063 -4.354 -3.472 321 HA ALA 43 HA ALA 43 -4.300 -5.228 -3.147 322 HB1 ALA 43 HB1 ALA 43 -6.876 -6.763 -2.788 323 HB2 ALA 43 HB2 ALA 43 -5.257 -7.336 -2.390 324 HB3 ALA 43 HB3 ALA 43 -5.959 -5.986 -1.497 325 H ILE 44 H ILE 44 -3.753 -4.888 -5.339 326 HA ILE 44 HA ILE 44 -4.996 -6.642 -7.312 327 HB ILE 44 HB ILE 44 -3.286 -5.635 -8.884 328 HG12 ILE 44 HG12 ILE 44 -1.999 -4.796 -6.668 329 HG13 ILE 44 HG13 ILE 44 -1.816 -4.027 -8.238 330 HG21 ILE 44 HG21 ILE 44 -5.494 -4.869 -9.057 331 HG22 ILE 44 HG22 ILE 44 -5.394 -3.971 -7.543 332 HG23 ILE 44 HG23 ILE 44 -4.509 -3.410 -8.963 333 HD11 ILE 44 HD11 ILE 44 -2.388 -2.713 -5.967 334 HD12 ILE 44 HD12 ILE 44 -2.834 -2.142 -7.574 335 HD13 ILE 44 HD13 ILE 44 -4.017 -2.999 -6.582 336 H VAL 45 H VAL 45 -3.519 -7.877 -8.758 337 HA VAL 45 HA VAL 45 -1.879 -9.622 -7.198 338 HB VAL 45 HB VAL 45 -3.227 -9.727 -9.693 339 HG11 VAL 45 HG11 VAL 45 -0.916 -11.149 -10.496 340 HG12 VAL 45 HG12 VAL 45 -1.709 -9.797 -11.304 341 HG13 VAL 45 HG13 VAL 45 -0.426 -9.495 -10.132 342 HG21 VAL 45 HG21 VAL 45 -3.502 -11.822 -9.025 343 HG22 VAL 45 HG22 VAL 45 -1.765 -12.126 -9.015 344 HG23 VAL 45 HG23 VAL 45 -2.541 -11.402 -7.606 345 HA PRO 46 HA PRO 46 2.083 -7.677 -7.695 346 HB2 PRO 46 HB2 PRO 46 3.655 -9.928 -7.863 347 HB3 PRO 46 HB3 PRO 46 3.040 -9.256 -6.348 348 HG2 PRO 46 HG2 PRO 46 1.982 -11.526 -7.985 349 HG3 PRO 46 HG3 PRO 46 2.139 -11.392 -6.224 350 HD2 PRO 46 HD2 PRO 46 -0.218 -11.045 -7.459 351 HD3 PRO 46 HD3 PRO 46 0.229 -10.094 -6.028 352 H GLY 47 H GLY 47 1.859 -6.746 -9.712 353 HA2 GLY 47 HA3 GLY 47 3.560 -7.344 -11.737 354 HA3 GLY 47 HA2 GLY 47 2.134 -8.300 -12.125 355 H THR 48 H THR 48 0.226 -6.483 -11.080 356 HA THR 48 HA THR 48 -0.189 -4.785 -13.280 357 HB THR 48 HB THR 48 -1.514 -4.024 -10.755 358 HG1 THR 48 HG1 THR 48 -1.535 -6.146 -10.240 359 HG21 THR 48 HG21 THR 48 -2.382 -3.174 -12.811 360 HG22 THR 48 HG22 THR 48 -3.536 -4.362 -12.205 361 HG23 THR 48 HG23 THR 48 -2.441 -4.787 -13.522 362 H SER 49 H SER 49 0.547 -2.835 -13.733 363 HA SER 49 HA SER 49 2.515 -1.665 -12.058 364 HB2 SER 49 HB2 SER 49 1.732 0.169 -14.086 365 HB3 SER 49 HB3 SER 49 3.172 -0.847 -14.038 366 HG SER 49 HG SER 49 2.052 -2.468 -15.106 367 HA PRO 50 HA PRO 50 -0.080 0.882 -9.577 368 HB2 PRO 50 HB2 PRO 50 1.700 2.862 -8.938 369 HB3 PRO 50 HB3 PRO 50 1.691 1.270 -8.174 370 HG2 PRO 50 HG2 PRO 50 3.429 2.306 -10.375 371 HG3 PRO 50 HG3 PRO 50 3.860 1.283 -8.993 372 HD2 PRO 50 HD2 PRO 50 3.492 0.285 -11.479 373 HD3 PRO 50 HD3 PRO 50 3.092 -0.634 -10.013 374 H ASP 51 H ASP 51 1.783 2.319 -12.174 375 HA ASP 51 HA ASP 51 0.395 4.787 -12.290 376 HB2 ASP 51 HB2 ASP 51 1.363 4.919 -14.607 377 HB3 ASP 51 HB3 ASP 51 2.550 4.616 -13.342 378 H ALA 52 H ALA 52 -0.462 1.613 -13.233 379 HA ALA 52 HA ALA 52 -2.318 2.367 -15.298 380 HB1 ALA 52 HB1 ALA 52 -1.157 -0.002 -14.551 381 HB2 ALA 52 HB2 ALA 52 -2.815 -0.193 -13.985 382 HB3 ALA 52 HB3 ALA 52 -2.500 0.168 -15.682 383 H LEU 53 H LEU 53 -2.403 1.793 -11.865 384 HA LEU 53 HA LEU 53 -5.256 1.649 -11.654 385 HB2 LEU 53 HB2 LEU 53 -3.101 1.982 -9.581 386 HB3 LEU 53 HB3 LEU 53 -4.793 1.756 -9.204 387 HG LEU 53 HG LEU 53 -4.028 -0.353 -10.937 388 HD11 LEU 53 HD11 LEU 53 -1.718 0.127 -10.297 389 HD12 LEU 53 HD12 LEU 53 -2.164 -0.008 -8.595 390 HD13 LEU 53 HD13 LEU 53 -2.266 -1.418 -9.649 391 HD21 LEU 53 HD21 LEU 53 -5.744 -0.177 -9.042 392 HD22 LEU 53 HD22 LEU 53 -4.886 -1.703 -9.254 393 HD23 LEU 53 HD23 LEU 53 -4.400 -0.587 -7.978 394 H THR 54 H THR 54 -2.783 3.971 -10.660 395 HA THR 54 HA THR 54 -4.406 6.038 -9.787 396 HB THR 54 HB THR 54 -1.898 6.623 -11.332 397 HG1 THR 54 HG1 THR 54 -0.674 5.583 -9.932 398 HG21 THR 54 HG21 THR 54 -3.364 7.761 -8.997 399 HG22 THR 54 HG22 THR 54 -2.620 8.584 -10.368 400 HG23 THR 54 HG23 THR 54 -1.613 7.953 -9.066 401 H ALA 55 H ALA 55 -3.189 5.324 -13.043 402 HA ALA 55 HA ALA 55 -4.366 7.565 -14.323 403 HB1 ALA 55 HB1 ALA 55 -3.822 6.461 -16.407 404 HB2 ALA 55 HB2 ALA 55 -2.471 6.325 -15.282 405 HB3 ALA 55 HB3 ALA 55 -3.532 4.944 -15.557 406 H ALA 56 H ALA 56 -5.468 4.277 -13.684 407 HA ALA 56 HA ALA 56 -7.754 4.325 -15.323 408 HB1 ALA 56 HB1 ALA 56 -7.118 2.222 -14.470 409 HB2 ALA 56 HB2 ALA 56 -7.115 2.808 -12.806 410 HB3 ALA 56 HB3 ALA 56 -8.640 2.608 -13.668 411 H VAL 57 H VAL 57 -7.247 5.323 -11.972 412 HA VAL 57 HA VAL 57 -9.963 6.117 -11.576 413 HB VAL 57 HB VAL 57 -7.539 6.974 -9.984 414 HG11 VAL 57 HG11 VAL 57 -10.170 7.857 -9.873 415 HG12 VAL 57 HG12 VAL 57 -10.034 6.700 -8.551 416 HG13 VAL 57 HG13 VAL 57 -8.930 8.071 -8.638 417 HG21 VAL 57 HG21 VAL 57 -7.482 4.654 -9.813 418 HG22 VAL 57 HG22 VAL 57 -8.442 5.131 -8.412 419 HG23 VAL 57 HG23 VAL 57 -9.238 4.509 -9.857 420 H ALA 58 H ALA 58 -6.940 7.779 -12.411 421 HA ALA 58 HA ALA 58 -7.983 10.408 -12.357 422 HB1 ALA 58 HB1 ALA 58 -5.919 9.946 -14.377 423 HB2 ALA 58 HB2 ALA 58 -5.913 11.012 -12.971 424 HB3 ALA 58 HB3 ALA 58 -5.510 9.304 -12.787 425 H GLY 59 H GLY 59 -7.599 8.074 -15.006 426 HA2 GLY 59 HA3 GLY 59 -8.806 9.736 -16.984 427 HA3 GLY 59 HA2 GLY 59 -8.474 8.018 -17.127 428 H LEU 60 H LEU 60 -10.092 7.751 -14.496 429 HA LEU 60 HA LEU 60 -12.630 7.242 -15.715 430 HB2 LEU 60 HB2 LEU 60 -11.323 6.605 -13.285 431 HB3 LEU 60 HB3 LEU 60 -12.843 7.378 -12.885 432 HG LEU 60 HG LEU 60 -14.115 5.696 -13.932 433 HD11 LEU 60 HD11 LEU 60 -13.032 3.864 -15.246 434 HD12 LEU 60 HD12 LEU 60 -12.981 5.452 -16.010 435 HD13 LEU 60 HD13 LEU 60 -11.543 4.809 -15.219 436 HD21 LEU 60 HD21 LEU 60 -13.226 4.988 -11.805 437 HD22 LEU 60 HD22 LEU 60 -13.278 3.610 -12.905 438 HD23 LEU 60 HD23 LEU 60 -11.746 4.418 -12.575 439 H GLY 61 H GLY 61 -11.313 10.111 -15.073 440 HA2 GLY 61 HA3 GLY 61 -12.361 12.197 -15.141 441 HA3 GLY 61 HA2 GLY 61 -13.904 11.405 -14.832 442 H TYR 62 H TYR 62 -11.202 10.626 -12.883 443 HA TYR 62 HA TYR 62 -12.093 12.425 -10.744 444 HB2 TYR 62 HB2 TYR 62 -11.571 9.451 -10.562 445 HB3 TYR 62 HB3 TYR 62 -11.566 10.494 -9.148 446 HD1 TYR 62 HD2 TYR 62 -13.695 11.792 -8.619 447 HD2 TYR 62 HD1 TYR 62 -13.576 8.574 -11.401 448 HE1 TYR 62 HE2 TYR 62 -16.129 11.536 -8.419 449 HE2 TYR 62 HE1 TYR 62 -16.012 8.310 -11.203 450 HH TYR 62 HH TYR 62 -17.835 9.868 -8.755 451 H LYS 63 H LYS 63 -10.191 11.502 -8.868 452 HA LYS 63 HA LYS 63 -7.622 11.639 -10.252 453 HB2 LYS 63 HB2 LYS 63 -8.523 13.943 -9.325 454 HB3 LYS 63 HB3 LYS 63 -7.980 13.295 -7.783 455 HG2 LYS 63 HG2 LYS 63 -5.752 13.286 -8.422 456 HG3 LYS 63 HG3 LYS 63 -6.145 13.324 -10.142 457 HD2 LYS 63 HD2 LYS 63 -6.851 15.605 -8.324 458 HD3 LYS 63 HD3 LYS 63 -5.253 15.475 -9.059 459 HE2 LYS 63 HE2 LYS 63 -6.983 15.027 -11.166 460 HE3 LYS 63 HE3 LYS 63 -7.786 16.287 -10.230 461 HZ1 LYS 63 HZ1 LYS 63 -5.632 16.553 -11.981 462 HZ2 LYS 63 HZ2 LYS 63 -5.057 16.906 -10.425 463 HZ3 LYS 63 HZ3 LYS 63 -6.381 17.760 -11.053 464 H ALA 64 H ALA 64 -5.896 10.748 -9.023 465 HA ALA 64 HA ALA 64 -6.481 9.693 -6.387 466 HB1 ALA 64 HB1 ALA 64 -7.230 7.970 -8.124 467 HB2 ALA 64 HB2 ALA 64 -5.514 7.755 -8.474 468 HB3 ALA 64 HB3 ALA 64 -6.132 7.418 -6.857 469 H THR 65 H THR 65 -4.599 9.046 -5.249 470 HA THR 65 HA THR 65 -2.023 9.451 -6.591 471 HB THR 65 HB THR 65 -1.756 10.449 -3.941 472 HG1 THR 65 HG1 THR 65 -3.978 11.466 -5.387 473 HG21 THR 65 HG21 THR 65 -1.784 12.360 -6.185 474 HG22 THR 65 HG22 THR 65 -0.720 10.966 -6.382 475 HG23 THR 65 HG23 THR 65 -0.529 12.031 -4.989 476 H LEU 66 H LEU 66 -0.651 7.831 -6.126 477 HA LEU 66 HA LEU 66 -1.557 5.700 -4.462 478 HB2 LEU 66 HB2 LEU 66 0.625 4.638 -5.072 479 HB3 LEU 66 HB3 LEU 66 -0.389 5.090 -6.428 480 HG LEU 66 HG LEU 66 1.611 7.108 -5.636 481 HD11 LEU 66 HD11 LEU 66 2.749 4.943 -7.271 482 HD12 LEU 66 HD12 LEU 66 3.509 5.973 -6.056 483 HD13 LEU 66 HD13 LEU 66 2.551 4.578 -5.557 484 HD21 LEU 66 HD21 LEU 66 1.775 7.438 -7.975 485 HD22 LEU 66 HD22 LEU 66 1.020 5.882 -8.317 486 HD23 LEU 66 HD23 LEU 66 0.065 7.189 -7.620 487 H ALA 67 H ALA 67 -1.620 6.193 -2.355 488 HA ALA 67 HA ALA 67 0.781 7.199 -1.036 489 HB1 ALA 67 HB1 ALA 67 -1.387 6.597 0.764 490 HB2 ALA 67 HB2 ALA 67 -0.623 8.149 0.412 491 HB3 ALA 67 HB3 ALA 67 -1.959 7.578 -0.587 492 H ASP 68 H ASP 68 1.813 5.135 -1.685 493 HA ASP 68 HA ASP 68 1.047 2.611 -0.786 494 HB2 ASP 68 HB2 ASP 68 2.876 3.274 -2.458 495 HB3 ASP 68 HB3 ASP 68 3.903 3.461 -1.047 496 H ALA 69 H ALA 69 0.415 2.471 1.304 497 HA ALA 69 HA ALA 69 2.322 2.220 3.368 498 HB1 ALA 69 HB1 ALA 69 0.504 4.476 4.013 499 HB2 ALA 69 HB2 ALA 69 2.146 4.151 4.572 500 HB3 ALA 69 HB3 ALA 69 1.878 4.823 2.962 Start of MODEL 5 1 H1 MET 1 H1 MET 1 4.025 1.542 -1.774 2 H2 MET 1 H2 MET 1 3.655 0.815 -3.262 3 H3 MET 1 H3 MET 1 5.095 0.425 -2.462 4 HA MET 1 HA MET 1 4.055 -1.302 -1.628 5 HB2 MET 1 HB2 MET 1 3.542 0.937 0.007 6 HB3 MET 1 HB3 MET 1 2.053 0.006 -0.023 7 HG2 MET 1 HG2 MET 1 3.762 -0.497 1.807 8 HG3 MET 1 HG3 MET 1 3.043 -1.852 0.940 9 HE1 MET 1 HE1 MET 1 6.070 0.252 1.732 10 HE2 MET 1 HE2 MET 1 6.178 -1.271 2.616 11 HE3 MET 1 HE3 MET 1 7.390 -0.868 1.397 12 H THR 2 H THR 2 0.953 0.051 -0.929 13 HA THR 2 HA THR 2 -0.254 -0.801 -3.403 14 HB THR 2 HB THR 2 0.314 -2.926 -2.139 15 HG1 THR 2 HG1 THR 2 -2.467 -2.666 -2.577 16 HG21 THR 2 HG21 THR 2 -0.664 -1.745 0.052 17 HG22 THR 2 HG22 THR 2 -0.628 -3.496 -0.159 18 HG23 THR 2 HG23 THR 2 -2.110 -2.596 -0.485 19 H HIS 3 H HIS 3 -0.317 1.605 -1.808 20 HA HIS 3 HA HIS 3 -3.162 1.631 -1.066 21 HB2 HIS 3 HB2 HIS 3 -0.948 2.146 0.625 22 HB3 HIS 3 HB3 HIS 3 -1.724 3.695 0.317 23 HD1 HIS 3 HD1 HIS 3 -2.172 3.386 3.017 24 HD2 HIS 3 HD2 HIS 3 -4.372 0.988 0.418 25 HE1 HIS 3 HE1 HIS 3 -4.136 2.559 4.349 26 HE2 HIS 3 HE2 HIS 3 -5.414 1.050 2.791 27 H LEU 4 H LEU 4 -4.335 3.030 -2.185 28 HA LEU 4 HA LEU 4 -2.979 5.370 -3.353 29 HB2 LEU 4 HB2 LEU 4 -5.396 3.968 -4.462 30 HB3 LEU 4 HB3 LEU 4 -4.572 5.329 -5.184 31 HG LEU 4 HG LEU 4 -3.378 2.575 -4.834 32 HD11 LEU 4 HD11 LEU 4 -4.758 2.106 -6.549 33 HD12 LEU 4 HD12 LEU 4 -5.008 3.805 -6.955 34 HD13 LEU 4 HD13 LEU 4 -3.550 2.973 -7.496 35 HD21 LEU 4 HD21 LEU 4 -2.372 4.938 -6.411 36 HD22 LEU 4 HD22 LEU 4 -1.760 4.453 -4.829 37 HD23 LEU 4 HD23 LEU 4 -1.584 3.373 -6.212 38 H LYS 5 H LYS 5 -4.142 7.327 -3.328 39 HA LYS 5 HA LYS 5 -6.441 7.349 -1.487 40 HB2 LYS 5 HB2 LYS 5 -4.261 8.645 -0.928 41 HB3 LYS 5 HB3 LYS 5 -4.793 9.770 -2.169 42 HG2 LYS 5 HG2 LYS 5 -7.015 9.796 -0.821 43 HG3 LYS 5 HG3 LYS 5 -6.011 9.167 0.486 44 HD2 LYS 5 HD2 LYS 5 -5.868 11.439 0.844 45 HD3 LYS 5 HD3 LYS 5 -4.436 11.146 -0.147 46 HE2 LYS 5 HE2 LYS 5 -5.275 12.265 -1.926 47 HE3 LYS 5 HE3 LYS 5 -6.930 11.747 -1.607 48 HZ1 LYS 5 HZ1 LYS 5 -6.219 13.421 0.483 49 HZ2 LYS 5 HZ2 LYS 5 -7.302 13.751 -0.779 50 HZ3 LYS 5 HZ3 LYS 5 -5.667 14.184 -0.930 51 H ILE 6 H ILE 6 -8.350 7.879 -2.341 52 HA ILE 6 HA ILE 6 -8.373 8.654 -5.142 53 HB ILE 6 HB ILE 6 -9.788 6.814 -4.702 54 HG12 ILE 6 HG12 ILE 6 -11.934 8.848 -4.703 55 HG13 ILE 6 HG13 ILE 6 -10.687 9.041 -5.932 56 HG21 ILE 6 HG21 ILE 6 -10.432 6.523 -2.585 57 HG22 ILE 6 HG22 ILE 6 -10.428 8.255 -2.248 58 HG23 ILE 6 HG23 ILE 6 -11.827 7.510 -3.022 59 HD11 ILE 6 HD11 ILE 6 -12.823 7.059 -5.702 60 HD12 ILE 6 HD12 ILE 6 -11.983 7.670 -7.127 61 HD13 ILE 6 HD13 ILE 6 -11.252 6.395 -6.152 62 H THR 7 H THR 7 -8.484 10.677 -5.700 63 HA THR 7 HA THR 7 -9.265 12.675 -3.716 64 HB THR 7 HB THR 7 -8.242 13.783 -6.170 65 HG1 THR 7 HG1 THR 7 -6.845 11.586 -5.027 66 HG21 THR 7 HG21 THR 7 -7.234 13.628 -3.330 67 HG22 THR 7 HG22 THR 7 -8.079 14.971 -4.102 68 HG23 THR 7 HG23 THR 7 -6.436 14.561 -4.597 69 H GLY 8 H GLY 8 -10.402 11.209 -6.593 70 HA2 GLY 8 HA3 GLY 8 -12.011 13.482 -7.415 71 HA3 GLY 8 HA2 GLY 8 -11.943 11.913 -8.200 72 H MET 9 H MET 9 -12.360 10.990 -5.181 73 HA MET 9 HA MET 9 -15.239 10.749 -5.501 74 HB2 MET 9 HB2 MET 9 -15.170 8.973 -4.032 75 HB3 MET 9 HB3 MET 9 -13.564 8.882 -4.736 76 HG2 MET 9 HG2 MET 9 -12.846 8.791 -2.638 77 HG3 MET 9 HG3 MET 9 -13.158 10.525 -2.599 78 HE1 MET 9 HE1 MET 9 -14.118 11.487 -0.792 79 HE2 MET 9 HE2 MET 9 -15.121 10.745 0.453 80 HE3 MET 9 HE3 MET 9 -13.436 10.256 0.270 81 H THR 10 H THR 10 -16.757 11.648 -4.189 82 HA THR 10 HA THR 10 -15.788 13.320 -1.967 83 HB THR 10 HB THR 10 -18.405 14.127 -2.800 84 HG1 THR 10 HG1 THR 10 -17.378 15.026 -4.911 85 HG21 THR 10 HG21 THR 10 -15.826 15.635 -3.153 86 HG22 THR 10 HG22 THR 10 -16.570 15.391 -1.574 87 HG23 THR 10 HG23 THR 10 -17.434 16.281 -2.828 88 H CYS 11 H CYS 11 -17.298 10.525 -2.663 89 HA CYS 11 HA CYS 11 -18.389 9.981 -0.190 90 HB2 CYS 11 HB2 CYS 11 -20.873 10.021 -0.853 91 HB3 CYS 11 HB3 CYS 11 -20.128 11.550 -0.409 92 H ASP 12 H ASP 12 -20.523 8.365 -0.776 93 HA ASP 12 HA ASP 12 -19.135 6.022 -1.383 94 HB2 ASP 12 HB2 ASP 12 -21.439 4.976 -1.327 95 HB3 ASP 12 HB3 ASP 12 -20.967 5.890 0.101 96 H SER 13 H SER 13 -21.025 8.071 -3.502 97 HA SER 13 HA SER 13 -21.710 6.159 -5.431 98 HB2 SER 13 HB2 SER 13 -21.210 8.781 -6.572 99 HB3 SER 13 HB3 SER 13 -22.738 7.922 -6.369 100 HG SER 13 HG SER 13 -23.052 8.861 -4.454 101 H CYS 14 H CYS 14 -18.997 8.482 -5.508 102 HA CYS 14 HA CYS 14 -17.869 7.331 -7.847 103 HB2 CYS 14 HB2 CYS 14 -15.961 8.743 -6.168 104 HB3 CYS 14 HB3 CYS 14 -16.533 9.133 -7.788 105 H ALA 15 H ALA 15 -17.265 6.986 -4.385 106 HA ALA 15 HA ALA 15 -15.065 5.172 -4.724 107 HB1 ALA 15 HB1 ALA 15 -16.700 5.833 -2.278 108 HB2 ALA 15 HB2 ALA 15 -15.198 4.908 -2.291 109 HB3 ALA 15 HB3 ALA 15 -15.192 6.605 -2.770 110 H ALA 16 H ALA 16 -17.158 4.254 -6.216 111 HA ALA 16 HA ALA 16 -17.343 1.557 -5.240 112 HB1 ALA 16 HB1 ALA 16 -19.772 1.385 -5.353 113 HB2 ALA 16 HB2 ALA 16 -19.299 2.575 -4.140 114 HB3 ALA 16 HB3 ALA 16 -19.893 3.108 -5.713 115 H HIS 17 H HIS 17 -18.515 3.953 -7.591 116 HA HIS 17 HA HIS 17 -18.598 2.217 -9.805 117 HB2 HIS 17 HB2 HIS 17 -19.527 4.555 -9.756 118 HB3 HIS 17 HB3 HIS 17 -17.876 5.142 -9.862 119 HD1 HIS 17 HD1 HIS 17 -18.162 6.245 -12.145 120 HD2 HIS 17 HD2 HIS 17 -19.053 2.178 -12.133 121 HE1 HIS 17 HE1 HIS 17 -18.383 5.591 -14.563 122 HE2 HIS 17 HE2 HIS 17 -18.748 3.096 -14.538 123 H VAL 18 H VAL 18 -16.035 3.968 -8.234 124 HA VAL 18 HA VAL 18 -14.000 3.433 -10.140 125 HB VAL 18 HB VAL 18 -13.990 4.299 -7.262 126 HG11 VAL 18 HG11 VAL 18 -11.908 2.776 -8.415 127 HG12 VAL 18 HG12 VAL 18 -11.349 4.447 -8.334 128 HG13 VAL 18 HG13 VAL 18 -11.909 3.634 -6.874 129 HG21 VAL 18 HG21 VAL 18 -13.699 5.517 -9.896 130 HG22 VAL 18 HG22 VAL 18 -14.177 6.236 -8.358 131 HG23 VAL 18 HG23 VAL 18 -12.467 6.032 -8.742 132 H LYS 19 H LYS 19 -15.159 1.788 -7.237 133 HA LYS 19 HA LYS 19 -13.274 -0.295 -7.186 134 HB2 LYS 19 HB2 LYS 19 -14.612 -0.158 -5.261 135 HB3 LYS 19 HB3 LYS 19 -16.098 -0.031 -6.185 136 HG2 LYS 19 HG2 LYS 19 -15.741 -2.391 -6.885 137 HG3 LYS 19 HG3 LYS 19 -14.405 -2.470 -5.740 138 HD2 LYS 19 HD2 LYS 19 -16.608 -1.380 -4.365 139 HD3 LYS 19 HD3 LYS 19 -17.212 -2.768 -5.275 140 HE2 LYS 19 HE2 LYS 19 -15.254 -2.648 -3.049 141 HE3 LYS 19 HE3 LYS 19 -16.519 -3.825 -3.380 142 HZ1 LYS 19 HZ1 LYS 19 -14.954 -4.379 -5.407 143 HZ2 LYS 19 HZ2 LYS 19 -14.674 -5.050 -3.874 144 HZ3 LYS 19 HZ3 LYS 19 -13.771 -3.715 -4.388 145 H GLU 20 H GLU 20 -16.409 0.032 -8.790 146 HA GLU 20 HA GLU 20 -16.509 -2.522 -9.947 147 HB2 GLU 20 HB2 GLU 20 -18.370 -0.773 -9.814 148 HB3 GLU 20 HB3 GLU 20 -17.629 -0.029 -11.225 149 HG2 GLU 20 HG2 GLU 20 -17.821 -2.530 -12.127 150 HG3 GLU 20 HG3 GLU 20 -19.165 -2.538 -10.986 151 H ALA 21 H ALA 21 -15.447 0.570 -11.358 152 HA ALA 21 HA ALA 21 -14.508 -0.423 -13.788 153 HB1 ALA 21 HB1 ALA 21 -14.624 1.863 -13.780 154 HB2 ALA 21 HB2 ALA 21 -13.930 2.003 -12.165 155 HB3 ALA 21 HB3 ALA 21 -12.891 1.640 -13.543 156 H LEU 22 H LEU 22 -12.904 -0.177 -10.657 157 HA LEU 22 HA LEU 22 -10.323 -0.918 -11.518 158 HB2 LEU 22 HB2 LEU 22 -11.660 -0.398 -9.027 159 HB3 LEU 22 HB3 LEU 22 -10.673 -1.838 -8.878 160 HG LEU 22 HG LEU 22 -8.681 -0.669 -9.307 161 HD11 LEU 22 HD11 LEU 22 -8.449 1.161 -10.588 162 HD12 LEU 22 HD12 LEU 22 -10.077 0.760 -11.135 163 HD13 LEU 22 HD13 LEU 22 -9.843 1.969 -9.871 164 HD21 LEU 22 HD21 LEU 22 -10.319 0.069 -7.224 165 HD22 LEU 22 HD22 LEU 22 -8.603 0.445 -7.377 166 HD23 LEU 22 HD23 LEU 22 -9.812 1.616 -7.903 167 H GLU 23 H GLU 23 -12.864 -2.869 -9.927 168 HA GLU 23 HA GLU 23 -11.485 -5.306 -10.191 169 HB2 GLU 23 HB2 GLU 23 -14.019 -4.369 -9.174 170 HB3 GLU 23 HB3 GLU 23 -14.218 -5.889 -10.040 171 HG2 GLU 23 HG2 GLU 23 -13.229 -7.046 -8.441 172 HG3 GLU 23 HG3 GLU 23 -11.904 -5.905 -8.294 173 H LYS 24 H LYS 24 -13.254 -3.443 -12.451 174 HA LYS 24 HA LYS 24 -13.880 -5.557 -14.270 175 HB2 LYS 24 HB2 LYS 24 -14.149 -2.681 -14.178 176 HB3 LYS 24 HB3 LYS 24 -13.518 -3.183 -15.740 177 HG2 LYS 24 HG2 LYS 24 -15.506 -3.917 -16.394 178 HG3 LYS 24 HG3 LYS 24 -15.718 -4.861 -14.917 179 HD2 LYS 24 HD2 LYS 24 -17.134 -3.358 -14.087 180 HD3 LYS 24 HD3 LYS 24 -15.992 -2.045 -14.375 181 HE2 LYS 24 HE2 LYS 24 -16.882 -2.578 -16.895 182 HE3 LYS 24 HE3 LYS 24 -18.322 -2.900 -15.930 183 HZ1 LYS 24 HZ1 LYS 24 -16.740 -0.385 -15.954 184 HZ2 LYS 24 HZ2 LYS 24 -18.052 -0.688 -14.918 185 HZ3 LYS 24 HZ3 LYS 24 -18.293 -0.606 -16.598 186 H VAL 25 H VAL 25 -11.051 -3.691 -13.538 187 HA VAL 25 HA VAL 25 -9.600 -4.492 -15.912 188 HB VAL 25 HB VAL 25 -8.508 -3.304 -13.347 189 HG11 VAL 25 HG11 VAL 25 -7.138 -2.756 -15.868 190 HG12 VAL 25 HG12 VAL 25 -6.485 -3.241 -14.303 191 HG13 VAL 25 HG13 VAL 25 -7.128 -4.458 -15.406 192 HG21 VAL 25 HG21 VAL 25 -10.210 -1.851 -14.388 193 HG22 VAL 25 HG22 VAL 25 -8.593 -1.145 -14.434 194 HG23 VAL 25 HG23 VAL 25 -9.281 -1.872 -15.888 195 HA PRO 26 HA PRO 26 -8.716 -8.443 -14.109 196 HB2 PRO 26 HB2 PRO 26 -7.030 -9.043 -16.384 197 HB3 PRO 26 HB3 PRO 26 -8.646 -9.651 -16.021 198 HG2 PRO 26 HG2 PRO 26 -8.078 -7.957 -18.098 199 HG3 PRO 26 HG3 PRO 26 -9.664 -8.071 -17.316 200 HD2 PRO 26 HD2 PRO 26 -7.499 -6.046 -16.935 201 HD3 PRO 26 HD3 PRO 26 -9.261 -5.819 -16.988 202 H GLY 27 H GLY 27 -7.088 -6.282 -13.230 203 HA2 GLY 27 HA3 GLY 27 -4.653 -7.866 -12.688 204 HA3 GLY 27 HA2 GLY 27 -4.603 -6.109 -12.838 205 H VAL 28 H VAL 28 -7.487 -6.675 -11.611 206 HA VAL 28 HA VAL 28 -6.630 -6.131 -8.875 207 HB VAL 28 HB VAL 28 -9.205 -5.712 -10.381 208 HG11 VAL 28 HG11 VAL 28 -8.902 -4.830 -7.538 209 HG12 VAL 28 HG12 VAL 28 -10.369 -5.097 -8.480 210 HG13 VAL 28 HG13 VAL 28 -9.436 -6.473 -7.891 211 HG21 VAL 28 HG21 VAL 28 -7.235 -4.130 -10.597 212 HG22 VAL 28 HG22 VAL 28 -8.774 -3.408 -10.125 213 HG23 VAL 28 HG23 VAL 28 -7.525 -3.694 -8.913 214 H GLN 29 H GLN 29 -7.496 -7.312 -7.109 215 HA GLN 29 HA GLN 29 -9.024 -9.731 -7.775 216 HB2 GLN 29 HB2 GLN 29 -6.382 -9.542 -6.558 217 HB3 GLN 29 HB3 GLN 29 -7.517 -10.422 -5.544 218 HG2 GLN 29 HG2 GLN 29 -8.076 -11.778 -7.623 219 HG3 GLN 29 HG3 GLN 29 -6.636 -11.055 -8.340 220 HE21 GLN 29 HE21 GLN 29 -7.039 -11.955 -4.974 221 HE22 GLN 29 HE22 GLN 29 -5.837 -13.198 -4.975 222 H SER 30 H SER 30 -8.175 -7.253 -5.442 223 HA SER 30 HA SER 30 -10.913 -7.255 -4.523 224 HB2 SER 30 HB2 SER 30 -8.990 -7.158 -2.265 225 HB3 SER 30 HB3 SER 30 -10.611 -7.843 -2.333 226 HG SER 30 HG SER 30 -9.518 -9.509 -3.733 227 H ALA 31 H ALA 31 -11.262 -5.190 -5.200 228 HA ALA 31 HA ALA 31 -9.331 -3.125 -4.365 229 HB1 ALA 31 HB1 ALA 31 -10.512 -1.674 -5.979 230 HB2 ALA 31 HB2 ALA 31 -9.845 -3.124 -6.728 231 HB3 ALA 31 HB3 ALA 31 -11.572 -3.024 -6.385 232 H LEU 32 H LEU 32 -9.804 -2.412 -2.378 233 HA LEU 32 HA LEU 32 -12.628 -2.003 -1.682 234 HB2 LEU 32 HB2 LEU 32 -10.390 -3.148 -0.263 235 HB3 LEU 32 HB3 LEU 32 -11.070 -1.808 0.638 236 HG LEU 32 HG LEU 32 -13.343 -3.102 0.054 237 HD11 LEU 32 HD11 LEU 32 -11.146 -5.118 -0.140 238 HD12 LEU 32 HD12 LEU 32 -12.708 -5.575 0.541 239 HD13 LEU 32 HD13 LEU 32 -12.613 -4.958 -1.108 240 HD21 LEU 32 HD21 LEU 32 -13.330 -2.993 2.272 241 HD22 LEU 32 HD22 LEU 32 -12.365 -4.470 2.298 242 HD23 LEU 32 HD23 LEU 32 -11.569 -2.895 2.303 243 H VAL 33 H VAL 33 -12.885 0.035 -2.507 244 HA VAL 33 HA VAL 33 -11.163 2.167 -1.500 245 HB VAL 33 HB VAL 33 -12.793 3.613 -2.898 246 HG11 VAL 33 HG11 VAL 33 -11.260 1.820 -4.684 247 HG12 VAL 33 HG12 VAL 33 -11.280 3.580 -4.589 248 HG13 VAL 33 HG13 VAL 33 -10.374 2.644 -3.400 249 HG21 VAL 33 HG21 VAL 33 -14.453 1.740 -3.169 250 HG22 VAL 33 HG22 VAL 33 -13.982 2.549 -4.664 251 HG23 VAL 33 HG23 VAL 33 -13.297 0.975 -4.259 252 H SER 34 H SER 34 -11.621 3.032 0.391 253 HA SER 34 HA SER 34 -14.307 2.742 1.497 254 HB2 SER 34 HB2 SER 34 -11.927 3.868 2.957 255 HB3 SER 34 HB3 SER 34 -13.327 3.016 3.615 256 HG SER 34 HG SER 34 -12.318 1.288 2.006 257 H TYR 35 H TYR 35 -15.723 4.340 1.369 258 HA TYR 35 HA TYR 35 -15.006 6.850 0.254 259 HB2 TYR 35 HB2 TYR 35 -17.600 7.094 1.354 260 HB3 TYR 35 HB3 TYR 35 -17.143 6.889 -0.327 261 HD1 TYR 35 HD1 TYR 35 -16.751 4.420 -1.096 262 HD2 TYR 35 HD2 TYR 35 -18.958 5.499 2.373 263 HE1 TYR 35 HE1 TYR 35 -17.851 2.223 -1.119 264 HE2 TYR 35 HE2 TYR 35 -20.070 3.308 2.356 265 HH TYR 35 HH TYR 35 -19.350 0.900 -0.173 266 HA PRO 36 HA PRO 36 -16.103 8.759 4.548 267 HB2 PRO 36 HB2 PRO 36 -15.707 6.620 6.515 268 HB3 PRO 36 HB3 PRO 36 -17.079 7.713 6.307 269 HG2 PRO 36 HG2 PRO 36 -17.242 5.090 5.722 270 HG3 PRO 36 HG3 PRO 36 -18.131 6.318 4.800 271 HD2 PRO 36 HD2 PRO 36 -15.570 4.915 4.107 272 HD3 PRO 36 HD3 PRO 36 -16.972 5.272 3.074 273 H LYS 37 H LYS 37 -13.531 7.182 3.461 274 HA LYS 37 HA LYS 37 -11.723 8.458 5.386 275 HB2 LYS 37 HB2 LYS 37 -11.869 5.613 4.629 276 HB3 LYS 37 HB3 LYS 37 -10.253 6.305 4.585 277 HG2 LYS 37 HG2 LYS 37 -11.874 6.870 6.988 278 HG3 LYS 37 HG3 LYS 37 -11.316 5.209 6.769 279 HD2 LYS 37 HD2 LYS 37 -9.015 6.015 6.549 280 HD3 LYS 37 HD3 LYS 37 -9.574 7.675 6.763 281 HE2 LYS 37 HE2 LYS 37 -8.710 6.903 8.856 282 HE3 LYS 37 HE3 LYS 37 -10.464 7.023 8.995 283 HZ1 LYS 37 HZ1 LYS 37 -10.563 4.892 9.531 284 HZ2 LYS 37 HZ2 LYS 37 -8.868 4.809 9.507 285 HZ3 LYS 37 HZ3 LYS 37 -9.751 4.438 8.112 286 H GLY 38 H GLY 38 -12.477 7.473 2.141 287 HA2 GLY 38 HA3 GLY 38 -11.758 8.348 0.137 288 HA3 GLY 38 HA2 GLY 38 -10.771 9.490 1.040 289 H THR 39 H THR 39 -10.515 6.065 1.578 290 HA THR 39 HA THR 39 -7.831 6.169 0.371 291 HB THR 39 HB THR 39 -8.203 4.133 2.440 292 HG1 THR 39 HG1 THR 39 -8.283 6.894 3.172 293 HG21 THR 39 HG21 THR 39 -6.017 4.633 1.556 294 HG22 THR 39 HG22 THR 39 -6.065 5.132 3.247 295 HG23 THR 39 HG23 THR 39 -6.196 6.339 1.968 296 H ALA 40 H ALA 40 -7.166 4.512 -0.883 297 HA ALA 40 HA ALA 40 -9.158 2.438 -1.491 298 HB1 ALA 40 HB1 ALA 40 -6.849 3.004 -3.288 299 HB2 ALA 40 HB2 ALA 40 -8.474 2.443 -3.682 300 HB3 ALA 40 HB3 ALA 40 -8.204 4.133 -3.258 301 H GLN 41 H GLN 41 -8.739 0.614 -0.482 302 HA GLN 41 HA GLN 41 -5.944 -0.231 -0.106 303 HB2 GLN 41 HB2 GLN 41 -7.776 -2.128 0.998 304 HB3 GLN 41 HB3 GLN 41 -6.632 -1.098 1.842 305 HG2 GLN 41 HG2 GLN 41 -9.135 0.204 1.006 306 HG3 GLN 41 HG3 GLN 41 -9.294 -1.049 2.235 307 HE21 GLN 41 HE21 GLN 41 -9.989 1.428 2.949 308 HE22 GLN 41 HE22 GLN 41 -8.802 2.127 3.999 309 H LEU 42 H LEU 42 -5.124 -1.466 -1.705 310 HA LEU 42 HA LEU 42 -7.085 -2.918 -3.360 311 HB2 LEU 42 HB2 LEU 42 -4.426 -1.875 -4.311 312 HB3 LEU 42 HB3 LEU 42 -5.758 -2.472 -5.280 313 HG LEU 42 HG LEU 42 -6.904 -0.363 -3.942 314 HD11 LEU 42 HD11 LEU 42 -4.494 0.951 -4.957 315 HD12 LEU 42 HD12 LEU 42 -5.468 1.300 -3.529 316 HD13 LEU 42 HD13 LEU 42 -4.251 0.025 -3.476 317 HD21 LEU 42 HD21 LEU 42 -7.480 -0.382 -6.115 318 HD22 LEU 42 HD22 LEU 42 -6.166 0.785 -6.264 319 HD23 LEU 42 HD23 LEU 42 -5.884 -0.915 -6.644 320 H ALA 43 H ALA 43 -6.901 -5.029 -3.366 321 HA ALA 43 HA ALA 43 -4.282 -6.265 -2.904 322 HB1 ALA 43 HB1 ALA 43 -7.100 -7.212 -2.682 323 HB2 ALA 43 HB2 ALA 43 -5.851 -8.388 -3.087 324 HB3 ALA 43 HB3 ALA 43 -5.737 -7.463 -1.590 325 H ILE 44 H ILE 44 -3.535 -5.474 -4.946 326 HA ILE 44 HA ILE 44 -4.865 -6.470 -7.340 327 HB ILE 44 HB ILE 44 -2.837 -5.148 -8.409 328 HG12 ILE 44 HG12 ILE 44 -2.909 -3.064 -6.541 329 HG13 ILE 44 HG13 ILE 44 -2.644 -4.516 -5.580 330 HG21 ILE 44 HG21 ILE 44 -5.294 -4.690 -8.568 331 HG22 ILE 44 HG22 ILE 44 -5.123 -3.639 -7.163 332 HG23 ILE 44 HG23 ILE 44 -4.260 -3.263 -8.656 333 HD11 ILE 44 HD11 ILE 44 -0.813 -5.030 -7.343 334 HD12 ILE 44 HD12 ILE 44 -0.927 -3.306 -7.694 335 HD13 ILE 44 HD13 ILE 44 -0.499 -3.848 -6.072 336 H VAL 45 H VAL 45 -3.595 -7.403 -9.056 337 HA VAL 45 HA VAL 45 -1.919 -9.549 -8.199 338 HB VAL 45 HB VAL 45 -2.624 -8.522 -10.936 339 HG11 VAL 45 HG11 VAL 45 -1.112 -9.893 -11.791 340 HG12 VAL 45 HG12 VAL 45 -0.679 -10.469 -10.181 341 HG13 VAL 45 HG13 VAL 45 -1.987 -11.245 -11.073 342 HG21 VAL 45 HG21 VAL 45 -4.412 -9.942 -10.969 343 HG22 VAL 45 HG22 VAL 45 -3.682 -11.056 -9.813 344 HG23 VAL 45 HG23 VAL 45 -4.369 -9.531 -9.255 345 HA PRO 46 HA PRO 46 2.040 -7.552 -8.136 346 HB2 PRO 46 HB2 PRO 46 3.511 -9.621 -9.310 347 HB3 PRO 46 HB3 PRO 46 3.177 -9.426 -7.588 348 HG2 PRO 46 HG2 PRO 46 1.787 -11.121 -9.611 349 HG3 PRO 46 HG3 PRO 46 2.148 -11.468 -7.909 350 HD2 PRO 46 HD2 PRO 46 -0.318 -10.791 -8.678 351 HD3 PRO 46 HD3 PRO 46 0.355 -10.191 -7.145 352 H GLY 47 H GLY 47 0.676 -8.759 -11.096 353 HA2 GLY 47 HA3 GLY 47 2.691 -7.412 -12.722 354 HA3 GLY 47 HA2 GLY 47 1.371 -8.407 -13.318 355 H THR 48 H THR 48 1.097 -5.730 -11.035 356 HA THR 48 HA THR 48 -0.034 -4.006 -13.096 357 HB THR 48 HB THR 48 -1.649 -4.009 -10.645 358 HG1 THR 48 HG1 THR 48 -1.390 -6.252 -10.843 359 HG21 THR 48 HG21 THR 48 -3.409 -3.553 -12.116 360 HG22 THR 48 HG22 THR 48 -2.597 -4.332 -13.474 361 HG23 THR 48 HG23 THR 48 -2.015 -2.780 -12.872 362 H SER 49 H SER 49 0.714 -2.038 -12.880 363 HA SER 49 HA SER 49 2.127 -1.303 -10.486 364 HB2 SER 49 HB2 SER 49 1.783 0.661 -12.681 365 HB3 SER 49 HB3 SER 49 3.241 0.205 -11.795 366 HG SER 49 HG SER 49 3.318 -1.719 -13.004 367 HA PRO 50 HA PRO 50 -1.130 1.023 -8.518 368 HB2 PRO 50 HB2 PRO 50 1.145 2.807 -7.775 369 HB3 PRO 50 HB3 PRO 50 -0.100 2.102 -6.738 370 HG2 PRO 50 HG2 PRO 50 2.339 1.089 -6.727 371 HG3 PRO 50 HG3 PRO 50 0.935 0.002 -6.724 372 HD2 PRO 50 HD2 PRO 50 2.752 0.749 -8.986 373 HD3 PRO 50 HD3 PRO 50 2.051 -0.831 -8.579 374 H ASP 51 H ASP 51 1.354 2.680 -10.372 375 HA ASP 51 HA ASP 51 -0.054 5.096 -10.742 376 HB2 ASP 51 HB2 ASP 51 1.971 5.641 -11.526 377 HB3 ASP 51 HB3 ASP 51 2.442 3.949 -11.575 378 H ALA 52 H ALA 52 -0.361 1.976 -12.149 379 HA ALA 52 HA ALA 52 -1.627 2.866 -14.587 380 HB1 ALA 52 HB1 ALA 52 -2.203 0.119 -13.906 381 HB2 ALA 52 HB2 ALA 52 -1.293 0.773 -15.270 382 HB3 ALA 52 HB3 ALA 52 -0.485 0.474 -13.730 383 H LEU 53 H LEU 53 -2.605 1.648 -11.457 384 HA LEU 53 HA LEU 53 -5.397 1.527 -12.029 385 HB2 LEU 53 HB2 LEU 53 -3.856 1.617 -9.449 386 HB3 LEU 53 HB3 LEU 53 -5.601 1.477 -9.515 387 HG LEU 53 HG LEU 53 -4.355 -0.535 -11.169 388 HD11 LEU 53 HD11 LEU 53 -3.030 0.037 -8.679 389 HD12 LEU 53 HD12 LEU 53 -3.747 -1.574 -8.658 390 HD13 LEU 53 HD13 LEU 53 -2.613 -1.130 -9.935 391 HD21 LEU 53 HD21 LEU 53 -6.693 -0.334 -10.071 392 HD22 LEU 53 HD22 LEU 53 -5.922 -1.917 -10.182 393 HD23 LEU 53 HD23 LEU 53 -5.897 -1.028 -8.658 394 H THR 54 H THR 54 -3.249 3.814 -10.436 395 HA THR 54 HA THR 54 -5.064 5.829 -9.799 396 HB THR 54 HB THR 54 -2.199 6.150 -10.716 397 HG1 THR 54 HG1 THR 54 -2.239 4.779 -8.951 398 HG21 THR 54 HG21 THR 54 -3.627 7.953 -8.798 399 HG22 THR 54 HG22 THR 54 -3.755 8.209 -10.537 400 HG23 THR 54 HG23 THR 54 -2.176 8.265 -9.753 401 H ALA 55 H ALA 55 -3.264 5.177 -12.770 402 HA ALA 55 HA ALA 55 -4.170 7.420 -14.236 403 HB1 ALA 55 HB1 ALA 55 -2.428 6.609 -15.382 404 HB2 ALA 55 HB2 ALA 55 -2.681 4.964 -14.800 405 HB3 ALA 55 HB3 ALA 55 -3.625 5.574 -16.161 406 H ALA 56 H ALA 56 -5.397 4.131 -13.865 407 HA ALA 56 HA ALA 56 -7.450 4.287 -15.789 408 HB1 ALA 56 HB1 ALA 56 -8.412 2.591 -13.824 409 HB2 ALA 56 HB2 ALA 56 -7.441 2.131 -15.223 410 HB3 ALA 56 HB3 ALA 56 -6.659 2.467 -13.678 411 H VAL 57 H VAL 57 -7.368 5.072 -12.351 412 HA VAL 57 HA VAL 57 -10.111 5.794 -12.154 413 HB VAL 57 HB VAL 57 -7.760 6.504 -10.384 414 HG11 VAL 57 HG11 VAL 57 -9.986 7.953 -10.378 415 HG12 VAL 57 HG12 VAL 57 -10.544 6.620 -9.368 416 HG13 VAL 57 HG13 VAL 57 -9.124 7.551 -8.893 417 HG21 VAL 57 HG21 VAL 57 -9.786 4.303 -10.369 418 HG22 VAL 57 HG22 VAL 57 -8.032 4.207 -10.215 419 HG23 VAL 57 HG23 VAL 57 -9.002 4.822 -8.877 420 H ALA 58 H ALA 58 -7.090 7.596 -12.646 421 HA ALA 58 HA ALA 58 -8.236 10.182 -12.642 422 HB1 ALA 58 HB1 ALA 58 -6.066 10.304 -14.373 423 HB2 ALA 58 HB2 ALA 58 -6.049 10.601 -12.634 424 HB3 ALA 58 HB3 ALA 58 -5.668 8.996 -13.259 425 H GLY 59 H GLY 59 -7.599 7.842 -15.208 426 HA2 GLY 59 HA3 GLY 59 -8.537 9.499 -17.331 427 HA3 GLY 59 HA2 GLY 59 -8.232 7.771 -17.414 428 H LEU 60 H LEU 60 -10.108 7.407 -15.049 429 HA LEU 60 HA LEU 60 -12.489 6.997 -16.587 430 HB2 LEU 60 HB2 LEU 60 -11.468 6.166 -14.062 431 HB3 LEU 60 HB3 LEU 60 -13.070 6.835 -13.830 432 HG LEU 60 HG LEU 60 -13.108 4.397 -14.178 433 HD11 LEU 60 HD11 LEU 60 -14.652 4.580 -16.332 434 HD12 LEU 60 HD12 LEU 60 -15.155 5.188 -14.755 435 HD13 LEU 60 HD13 LEU 60 -14.508 6.299 -15.964 436 HD21 LEU 60 HD21 LEU 60 -12.035 3.356 -15.831 437 HD22 LEU 60 HD22 LEU 60 -12.639 4.488 -17.043 438 HD23 LEU 60 HD23 LEU 60 -11.198 4.883 -16.106 439 H GLY 61 H GLY 61 -11.243 9.752 -15.254 440 HA2 GLY 61 HA3 GLY 61 -12.447 11.814 -15.584 441 HA3 GLY 61 HA2 GLY 61 -13.928 10.964 -15.158 442 H TYR 62 H TYR 62 -11.867 9.743 -13.056 443 HA TYR 62 HA TYR 62 -12.506 11.758 -11.028 444 HB2 TYR 62 HB2 TYR 62 -11.562 8.916 -10.603 445 HB3 TYR 62 HB3 TYR 62 -12.220 10.005 -9.389 446 HD1 TYR 62 HD2 TYR 62 -14.651 10.641 -9.515 447 HD2 TYR 62 HD1 TYR 62 -12.982 7.560 -11.932 448 HE1 TYR 62 HE2 TYR 62 -16.909 9.762 -9.941 449 HE2 TYR 62 HE1 TYR 62 -15.235 6.673 -12.363 450 HH TYR 62 HH TYR 62 -17.436 6.690 -11.412 451 H LYS 63 H LYS 63 -10.545 10.927 -9.150 452 HA LYS 63 HA LYS 63 -7.983 11.282 -10.470 453 HB2 LYS 63 HB2 LYS 63 -9.356 13.385 -8.949 454 HB3 LYS 63 HB3 LYS 63 -7.719 13.067 -8.392 455 HG2 LYS 63 HG2 LYS 63 -8.547 13.807 -11.190 456 HG3 LYS 63 HG3 LYS 63 -7.716 14.841 -10.028 457 HD2 LYS 63 HD2 LYS 63 -5.712 13.857 -10.386 458 HD3 LYS 63 HD3 LYS 63 -6.420 12.256 -10.603 459 HE2 LYS 63 HE2 LYS 63 -6.069 12.494 -12.788 460 HE3 LYS 63 HE3 LYS 63 -7.323 13.733 -12.782 461 HZ1 LYS 63 HZ1 LYS 63 -4.613 14.523 -12.009 462 HZ2 LYS 63 HZ2 LYS 63 -5.805 15.404 -12.832 463 HZ3 LYS 63 HZ3 LYS 63 -4.907 14.219 -13.648 464 H ALA 64 H ALA 64 -6.243 10.557 -9.250 465 HA ALA 64 HA ALA 64 -6.703 9.687 -6.515 466 HB1 ALA 64 HB1 ALA 64 -6.287 7.820 -8.805 467 HB2 ALA 64 HB2 ALA 64 -5.586 7.424 -7.236 468 HB3 ALA 64 HB3 ALA 64 -7.328 7.654 -7.391 469 H THR 65 H THR 65 -4.700 8.988 -5.467 470 HA THR 65 HA THR 65 -2.222 9.759 -6.822 471 HB THR 65 HB THR 65 -2.014 10.589 -4.107 472 HG1 THR 65 HG1 THR 65 -4.127 11.950 -5.446 473 HG21 THR 65 HG21 THR 65 -0.674 11.936 -5.275 474 HG22 THR 65 HG22 THR 65 -2.110 12.869 -5.695 475 HG23 THR 65 HG23 THR 65 -1.535 11.601 -6.778 476 H LEU 66 H LEU 66 -0.468 8.487 -6.232 477 HA LEU 66 HA LEU 66 -1.062 6.092 -4.771 478 HB2 LEU 66 HB2 LEU 66 0.384 5.749 -6.563 479 HB3 LEU 66 HB3 LEU 66 1.355 7.149 -6.185 480 HG LEU 66 HG LEU 66 2.068 5.824 -4.079 481 HD11 LEU 66 HD11 LEU 66 0.293 4.074 -4.462 482 HD12 LEU 66 HD12 LEU 66 1.276 3.496 -5.807 483 HD13 LEU 66 HD13 LEU 66 1.923 3.469 -4.166 484 HD21 LEU 66 HD21 LEU 66 2.967 4.929 -6.816 485 HD22 LEU 66 HD22 LEU 66 3.536 6.365 -5.965 486 HD23 LEU 66 HD23 LEU 66 3.873 4.762 -5.313 487 H ALA 67 H ALA 67 -1.630 6.913 -2.748 488 HA ALA 67 HA ALA 67 0.509 8.037 -1.098 489 HB1 ALA 67 HB1 ALA 67 -2.429 8.064 -1.005 490 HB2 ALA 67 HB2 ALA 67 -1.649 7.828 0.559 491 HB3 ALA 67 HB3 ALA 67 -1.268 9.250 -0.412 492 H ASP 68 H ASP 68 1.574 5.890 -1.431 493 HA ASP 68 HA ASP 68 0.318 3.581 -0.251 494 HB2 ASP 68 HB2 ASP 68 2.120 2.324 -1.141 495 HB3 ASP 68 HB3 ASP 68 1.746 3.554 -2.344 496 H ALA 69 H ALA 69 2.365 2.192 0.838 497 HA ALA 69 HA ALA 69 3.475 1.765 2.756 498 HB1 ALA 69 HB1 ALA 69 4.442 3.707 4.056 499 HB2 ALA 69 HB2 ALA 69 4.995 3.538 2.390 500 HB3 ALA 69 HB3 ALA 69 3.788 4.758 2.799 Start of MODEL 6 1 H1 MET 1 H1 MET 1 2.896 -0.041 1.701 2 H2 MET 1 H2 MET 1 1.363 0.451 1.180 3 H3 MET 1 H3 MET 1 2.759 1.021 0.390 4 HA MET 1 HA MET 1 3.037 -0.789 -0.821 5 HB2 MET 1 HB2 MET 1 2.209 -3.079 0.067 6 HB3 MET 1 HB3 MET 1 3.646 -2.354 0.773 7 HG2 MET 1 HG2 MET 1 1.047 -1.758 2.059 8 HG3 MET 1 HG3 MET 1 1.692 -3.389 2.237 9 HE1 MET 1 HE1 MET 1 1.304 -2.377 4.862 10 HE2 MET 1 HE2 MET 1 2.407 -1.199 5.572 11 HE3 MET 1 HE3 MET 1 1.206 -0.680 4.388 12 H THR 2 H THR 2 -0.058 -0.499 0.896 13 HA THR 2 HA THR 2 -1.419 -1.052 -1.655 14 HB THR 2 HB THR 2 -3.111 -2.048 0.343 15 HG1 THR 2 HG1 THR 2 -0.882 -3.617 0.732 16 HG21 THR 2 HG21 THR 2 -1.433 -3.222 -1.830 17 HG22 THR 2 HG22 THR 2 -3.189 -3.158 -1.674 18 HG23 THR 2 HG23 THR 2 -2.259 -4.302 -0.706 19 H HIS 3 H HIS 3 -1.213 1.491 -1.216 20 HA HIS 3 HA HIS 3 -3.807 2.299 -0.153 21 HB2 HIS 3 HB2 HIS 3 -2.104 2.403 1.710 22 HB3 HIS 3 HB3 HIS 3 -1.274 3.644 0.785 23 HD1 HIS 3 HD1 HIS 3 -3.394 3.399 3.543 24 HD2 HIS 3 HD2 HIS 3 -3.413 5.825 0.160 25 HE1 HIS 3 HE1 HIS 3 -4.733 5.437 4.171 26 HE2 HIS 3 HE2 HIS 3 -4.927 6.768 2.035 27 H LEU 4 H LEU 4 -4.516 3.063 -2.128 28 HA LEU 4 HA LEU 4 -3.090 5.475 -3.029 29 HB2 LEU 4 HB2 LEU 4 -4.319 5.308 -5.144 30 HB3 LEU 4 HB3 LEU 4 -3.356 3.876 -4.845 31 HG LEU 4 HG LEU 4 -6.077 3.560 -3.873 32 HD11 LEU 4 HD11 LEU 4 -5.729 4.907 -6.390 33 HD12 LEU 4 HD12 LEU 4 -6.456 3.319 -6.636 34 HD13 LEU 4 HD13 LEU 4 -7.217 4.477 -5.546 35 HD21 LEU 4 HD21 LEU 4 -3.964 2.045 -5.040 36 HD22 LEU 4 HD22 LEU 4 -5.438 1.468 -4.264 37 HD23 LEU 4 HD23 LEU 4 -5.425 1.802 -5.996 38 H LYS 5 H LYS 5 -4.145 7.417 -2.938 39 HA LYS 5 HA LYS 5 -6.581 7.378 -1.320 40 HB2 LYS 5 HB2 LYS 5 -5.172 8.772 -0.190 41 HB3 LYS 5 HB3 LYS 5 -4.278 9.210 -1.634 42 HG2 LYS 5 HG2 LYS 5 -6.325 10.607 -2.263 43 HG3 LYS 5 HG3 LYS 5 -6.830 10.378 -0.587 44 HD2 LYS 5 HD2 LYS 5 -5.621 12.467 -0.805 45 HD3 LYS 5 HD3 LYS 5 -4.688 11.330 0.169 46 HE2 LYS 5 HE2 LYS 5 -3.567 10.727 -2.105 47 HE3 LYS 5 HE3 LYS 5 -4.193 12.292 -2.622 48 HZ1 LYS 5 HZ1 LYS 5 -1.888 12.355 -1.736 49 HZ2 LYS 5 HZ2 LYS 5 -2.490 11.910 -0.216 50 HZ3 LYS 5 HZ3 LYS 5 -2.962 13.381 -0.914 51 H ILE 6 H ILE 6 -8.493 7.953 -2.121 52 HA ILE 6 HA ILE 6 -8.639 8.774 -4.895 53 HB ILE 6 HB ILE 6 -10.195 7.062 -4.167 54 HG12 ILE 6 HG12 ILE 6 -12.400 8.563 -4.595 55 HG13 ILE 6 HG13 ILE 6 -11.155 9.684 -5.137 56 HG21 ILE 6 HG21 ILE 6 -12.103 7.772 -2.619 57 HG22 ILE 6 HG22 ILE 6 -10.543 7.405 -1.883 58 HG23 ILE 6 HG23 ILE 6 -11.035 9.083 -2.118 59 HD11 ILE 6 HD11 ILE 6 -12.235 8.099 -6.843 60 HD12 ILE 6 HD12 ILE 6 -10.483 8.295 -6.863 61 HD13 ILE 6 HD13 ILE 6 -11.203 6.864 -6.124 62 H THR 7 H THR 7 -8.888 10.803 -5.569 63 HA THR 7 HA THR 7 -9.502 12.828 -3.517 64 HB THR 7 HB THR 7 -7.902 14.066 -5.453 65 HG1 THR 7 HG1 THR 7 -7.059 11.427 -4.829 66 HG21 THR 7 HG21 THR 7 -7.945 13.598 -2.641 67 HG22 THR 7 HG22 THR 7 -7.097 14.861 -3.531 68 HG23 THR 7 HG23 THR 7 -6.304 13.316 -3.224 69 H GLY 8 H GLY 8 -10.190 11.622 -6.645 70 HA2 GLY 8 HA3 GLY 8 -11.225 14.025 -7.782 71 HA3 GLY 8 HA2 GLY 8 -11.535 12.392 -8.351 72 H MET 9 H MET 9 -12.510 11.599 -5.666 73 HA MET 9 HA MET 9 -14.745 13.086 -4.889 74 HB2 MET 9 HB2 MET 9 -15.161 11.750 -7.355 75 HB3 MET 9 HB3 MET 9 -16.063 10.860 -6.137 76 HG2 MET 9 HG2 MET 9 -16.432 13.627 -7.133 77 HG3 MET 9 HG3 MET 9 -17.629 12.382 -6.777 78 HE1 MET 9 HE1 MET 9 -18.074 15.736 -4.501 79 HE2 MET 9 HE2 MET 9 -16.782 15.823 -5.698 80 HE3 MET 9 HE3 MET 9 -18.340 15.125 -6.134 81 H THR 10 H THR 10 -15.196 12.371 -2.911 82 HA THR 10 HA THR 10 -13.908 9.908 -2.074 83 HB THR 10 HB THR 10 -15.129 11.226 0.120 84 HG1 THR 10 HG1 THR 10 -13.483 13.115 -1.101 85 HG21 THR 10 HG21 THR 10 -13.113 10.138 0.517 86 HG22 THR 10 HG22 THR 10 -12.631 11.835 0.513 87 HG23 THR 10 HG23 THR 10 -12.344 10.833 -0.909 88 H CYS 11 H CYS 11 -17.140 11.226 -2.346 89 HA CYS 11 HA CYS 11 -18.465 9.709 -0.452 90 HB2 CYS 11 HB2 CYS 11 -19.881 10.398 -2.953 91 HB3 CYS 11 HB3 CYS 11 -20.408 10.568 -1.289 92 H ASP 12 H ASP 12 -20.076 8.131 -0.687 93 HA ASP 12 HA ASP 12 -19.051 5.680 -1.100 94 HB2 ASP 12 HB2 ASP 12 -20.918 5.502 0.150 95 HB3 ASP 12 HB3 ASP 12 -21.751 6.776 -0.728 96 H SER 13 H SER 13 -21.304 7.177 -3.465 97 HA SER 13 HA SER 13 -21.202 4.859 -5.123 98 HB2 SER 13 HB2 SER 13 -22.180 7.564 -6.000 99 HB3 SER 13 HB3 SER 13 -22.746 5.970 -6.509 100 HG SER 13 HG SER 13 -23.106 5.927 -3.960 101 H CYS 14 H CYS 14 -19.534 7.938 -5.135 102 HA CYS 14 HA CYS 14 -18.378 7.642 -7.708 103 HB2 CYS 14 HB2 CYS 14 -17.116 9.190 -5.465 104 HB3 CYS 14 HB3 CYS 14 -17.120 9.552 -7.187 105 H ALA 15 H ALA 15 -17.152 7.073 -4.415 106 HA ALA 15 HA ALA 15 -14.813 5.674 -5.330 107 HB1 ALA 15 HB1 ALA 15 -14.164 6.144 -3.259 108 HB2 ALA 15 HB2 ALA 15 -15.786 6.709 -2.856 109 HB3 ALA 15 HB3 ALA 15 -15.364 5.011 -2.636 110 H ALA 16 H ALA 16 -16.781 4.538 -6.653 111 HA ALA 16 HA ALA 16 -16.810 1.801 -5.778 112 HB1 ALA 16 HB1 ALA 16 -18.982 3.421 -5.001 113 HB2 ALA 16 HB2 ALA 16 -19.554 2.424 -6.338 114 HB3 ALA 16 HB3 ALA 16 -18.858 1.664 -4.909 115 H HIS 17 H HIS 17 -18.231 4.239 -7.962 116 HA HIS 17 HA HIS 17 -18.289 2.651 -10.273 117 HB2 HIS 17 HB2 HIS 17 -19.169 5.015 -10.025 118 HB3 HIS 17 HB3 HIS 17 -17.506 5.558 -10.171 119 HD1 HIS 17 HD1 HIS 17 -18.221 6.869 -12.324 120 HD2 HIS 17 HD2 HIS 17 -18.538 2.726 -12.600 121 HE1 HIS 17 HE1 HIS 17 -18.497 6.368 -14.777 122 HE2 HIS 17 HE2 HIS 17 -18.783 3.867 -14.915 123 H VAL 18 H VAL 18 -15.737 4.389 -8.651 124 HA VAL 18 HA VAL 18 -13.636 3.896 -10.468 125 HB VAL 18 HB VAL 18 -13.601 4.354 -7.477 126 HG11 VAL 18 HG11 VAL 18 -11.271 4.446 -9.392 127 HG12 VAL 18 HG12 VAL 18 -11.232 4.803 -7.666 128 HG13 VAL 18 HG13 VAL 18 -11.571 3.163 -8.217 129 HG21 VAL 18 HG21 VAL 18 -14.366 6.324 -8.410 130 HG22 VAL 18 HG22 VAL 18 -12.624 6.592 -8.363 131 HG23 VAL 18 HG23 VAL 18 -13.404 6.126 -9.874 132 H LYS 19 H LYS 19 -14.779 2.157 -7.601 133 HA LYS 19 HA LYS 19 -12.879 0.087 -7.642 134 HB2 LYS 19 HB2 LYS 19 -14.453 0.661 -5.753 135 HB3 LYS 19 HB3 LYS 19 -15.727 -0.137 -6.659 136 HG2 LYS 19 HG2 LYS 19 -13.987 -2.110 -6.665 137 HG3 LYS 19 HG3 LYS 19 -13.393 -1.279 -5.230 138 HD2 LYS 19 HD2 LYS 19 -14.954 -2.460 -4.138 139 HD3 LYS 19 HD3 LYS 19 -16.095 -1.295 -4.809 140 HE2 LYS 19 HE2 LYS 19 -17.114 -2.941 -5.890 141 HE3 LYS 19 HE3 LYS 19 -15.631 -3.248 -6.793 142 HZ1 LYS 19 HZ1 LYS 19 -15.536 -5.204 -5.780 143 HZ2 LYS 19 HZ2 LYS 19 -16.844 -4.818 -4.763 144 HZ3 LYS 19 HZ3 LYS 19 -15.265 -4.405 -4.309 145 H GLU 20 H GLU 20 -16.018 0.459 -9.202 146 HA GLU 20 HA GLU 20 -16.183 -2.142 -10.290 147 HB2 GLU 20 HB2 GLU 20 -18.107 -0.617 -10.157 148 HB3 GLU 20 HB3 GLU 20 -17.347 0.452 -11.328 149 HG2 GLU 20 HG2 GLU 20 -17.378 -2.000 -12.599 150 HG3 GLU 20 HG3 GLU 20 -18.919 -1.943 -11.744 151 H ALA 21 H ALA 21 -15.064 0.927 -11.723 152 HA ALA 21 HA ALA 21 -14.204 -0.087 -14.176 153 HB1 ALA 21 HB1 ALA 21 -13.429 1.987 -14.550 154 HB2 ALA 21 HB2 ALA 21 -14.238 2.372 -13.031 155 HB3 ALA 21 HB3 ALA 21 -12.508 2.025 -13.045 156 H LEU 22 H LEU 22 -12.476 0.180 -11.100 157 HA LEU 22 HA LEU 22 -10.009 -0.852 -12.009 158 HB2 LEU 22 HB2 LEU 22 -11.266 -0.223 -9.435 159 HB3 LEU 22 HB3 LEU 22 -10.120 -1.543 -9.352 160 HG LEU 22 HG LEU 22 -8.317 -0.197 -9.701 161 HD11 LEU 22 HD11 LEU 22 -10.097 1.192 -11.599 162 HD12 LEU 22 HD12 LEU 22 -8.820 2.165 -10.866 163 HD13 LEU 22 HD13 LEU 22 -8.409 0.705 -11.766 164 HD21 LEU 22 HD21 LEU 22 -8.516 1.266 -8.045 165 HD22 LEU 22 HD22 LEU 22 -9.634 2.263 -8.976 166 HD23 LEU 22 HD23 LEU 22 -10.243 0.907 -8.025 167 H GLU 23 H GLU 23 -12.882 -2.390 -10.647 168 HA GLU 23 HA GLU 23 -11.735 -5.001 -10.513 169 HB2 GLU 23 HB2 GLU 23 -14.340 -3.767 -9.975 170 HB3 GLU 23 HB3 GLU 23 -14.448 -5.412 -10.586 171 HG2 GLU 23 HG2 GLU 23 -12.730 -5.996 -8.786 172 HG3 GLU 23 HG3 GLU 23 -13.122 -4.425 -8.091 173 H LYS 24 H LYS 24 -13.062 -3.117 -13.041 174 HA LYS 24 HA LYS 24 -13.748 -5.272 -14.789 175 HB2 LYS 24 HB2 LYS 24 -13.338 -2.336 -15.069 176 HB3 LYS 24 HB3 LYS 24 -13.215 -3.309 -16.528 177 HG2 LYS 24 HG2 LYS 24 -15.430 -3.888 -16.496 178 HG3 LYS 24 HG3 LYS 24 -15.574 -3.676 -14.749 179 HD2 LYS 24 HD2 LYS 24 -16.563 -1.728 -15.246 180 HD3 LYS 24 HD3 LYS 24 -14.932 -1.153 -15.598 181 HE2 LYS 24 HE2 LYS 24 -15.445 -2.225 -17.956 182 HE3 LYS 24 HE3 LYS 24 -17.114 -1.953 -17.458 183 HZ1 LYS 24 HZ1 LYS 24 -14.988 0.006 -18.001 184 HZ2 LYS 24 HZ2 LYS 24 -16.219 0.406 -16.904 185 HZ3 LYS 24 HZ3 LYS 24 -16.609 0.011 -18.505 186 H VAL 25 H VAL 25 -10.818 -3.864 -13.740 187 HA VAL 25 HA VAL 25 -9.234 -4.936 -15.923 188 HB VAL 25 HB VAL 25 -8.205 -3.889 -13.283 189 HG11 VAL 25 HG11 VAL 25 -6.918 -3.930 -16.006 190 HG12 VAL 25 HG12 VAL 25 -6.170 -3.444 -14.484 191 HG13 VAL 25 HG13 VAL 25 -6.635 -5.127 -14.742 192 HG21 VAL 25 HG21 VAL 25 -9.575 -2.130 -14.096 193 HG22 VAL 25 HG22 VAL 25 -7.912 -1.702 -14.496 194 HG23 VAL 25 HG23 VAL 25 -8.985 -2.338 -15.744 195 HA PRO 26 HA PRO 26 -9.110 -8.874 -13.804 196 HB2 PRO 26 HB2 PRO 26 -7.476 -9.862 -15.980 197 HB3 PRO 26 HB3 PRO 26 -9.169 -10.212 -15.632 198 HG2 PRO 26 HG2 PRO 26 -8.341 -8.774 -17.799 199 HG3 PRO 26 HG3 PRO 26 -9.931 -8.576 -17.038 200 HD2 PRO 26 HD2 PRO 26 -7.457 -6.908 -16.728 201 HD3 PRO 26 HD3 PRO 26 -9.152 -6.395 -16.885 202 H GLY 27 H GLY 27 -7.483 -7.254 -12.565 203 HA2 GLY 27 HA3 GLY 27 -5.171 -8.933 -12.057 204 HA3 GLY 27 HA2 GLY 27 -4.804 -7.291 -12.581 205 H VAL 28 H VAL 28 -7.261 -8.702 -10.448 206 HA VAL 28 HA VAL 28 -6.420 -6.906 -8.293 207 HB VAL 28 HB VAL 28 -9.079 -6.837 -9.699 208 HG11 VAL 28 HG11 VAL 28 -9.378 -7.154 -7.200 209 HG12 VAL 28 HG12 VAL 28 -8.607 -5.579 -7.003 210 HG13 VAL 28 HG13 VAL 28 -10.121 -5.715 -7.896 211 HG21 VAL 28 HG21 VAL 28 -7.507 -4.501 -8.680 212 HG22 VAL 28 HG22 VAL 28 -7.099 -5.277 -10.210 213 HG23 VAL 28 HG23 VAL 28 -8.696 -4.562 -9.981 214 H GLN 29 H GLN 29 -6.403 -8.019 -6.449 215 HA GLN 29 HA GLN 29 -7.930 -10.511 -6.262 216 HB2 GLN 29 HB2 GLN 29 -5.508 -10.554 -5.770 217 HB3 GLN 29 HB3 GLN 29 -5.761 -9.399 -4.470 218 HG2 GLN 29 HG2 GLN 29 -7.505 -11.352 -3.774 219 HG3 GLN 29 HG3 GLN 29 -6.223 -12.288 -4.545 220 HE21 GLN 29 HE21 GLN 29 -3.991 -10.887 -3.874 221 HE22 GLN 29 HE22 GLN 29 -3.767 -10.916 -2.155 222 H SER 30 H SER 30 -7.576 -7.357 -4.785 223 HA SER 30 HA SER 30 -10.201 -7.599 -3.591 224 HB2 SER 30 HB2 SER 30 -7.920 -6.767 -1.793 225 HB3 SER 30 HB3 SER 30 -9.578 -7.162 -1.341 226 HG SER 30 HG SER 30 -8.775 -9.320 -2.451 227 H ALA 31 H ALA 31 -11.183 -5.611 -3.307 228 HA ALA 31 HA ALA 31 -9.573 -3.211 -3.835 229 HB1 ALA 31 HB1 ALA 31 -12.000 -4.115 -5.351 230 HB2 ALA 31 HB2 ALA 31 -11.585 -2.406 -5.232 231 HB3 ALA 31 HB3 ALA 31 -10.453 -3.537 -5.973 232 H LEU 32 H LEU 32 -9.814 -3.055 -1.496 233 HA LEU 32 HA LEU 32 -12.507 -2.690 -0.474 234 HB2 LEU 32 HB2 LEU 32 -9.789 -2.907 0.765 235 HB3 LEU 32 HB3 LEU 32 -11.126 -2.254 1.694 236 HG LEU 32 HG LEU 32 -11.983 -4.690 0.476 237 HD11 LEU 32 HD11 LEU 32 -10.420 -6.210 1.717 238 HD12 LEU 32 HD12 LEU 32 -9.735 -5.420 0.296 239 HD13 LEU 32 HD13 LEU 32 -9.344 -4.827 1.910 240 HD21 LEU 32 HD21 LEU 32 -13.090 -4.601 2.395 241 HD22 LEU 32 HD22 LEU 32 -11.601 -5.042 3.234 242 HD23 LEU 32 HD23 LEU 32 -12.014 -3.342 3.003 243 H VAL 33 H VAL 33 -12.989 -0.808 -1.682 244 HA VAL 33 HA VAL 33 -11.555 1.630 -1.212 245 HB VAL 33 HB VAL 33 -13.733 2.644 -2.221 246 HG11 VAL 33 HG11 VAL 33 -12.816 1.256 -4.464 247 HG12 VAL 33 HG12 VAL 33 -12.263 2.825 -3.877 248 HG13 VAL 33 HG13 VAL 33 -11.433 1.352 -3.375 249 HG21 VAL 33 HG21 VAL 33 -14.633 0.685 -3.806 250 HG22 VAL 33 HG22 VAL 33 -14.238 -0.268 -2.374 251 HG23 VAL 33 HG23 VAL 33 -15.373 1.076 -2.252 252 H SER 34 H SER 34 -11.861 3.092 0.328 253 HA SER 34 HA SER 34 -14.144 2.718 2.155 254 HB2 SER 34 HB2 SER 34 -11.855 4.120 3.304 255 HB3 SER 34 HB3 SER 34 -12.734 2.716 3.917 256 HG SER 34 HG SER 34 -11.455 1.704 1.978 257 H TYR 35 H TYR 35 -15.469 4.198 1.161 258 HA TYR 35 HA TYR 35 -14.705 6.591 -0.010 259 HB2 TYR 35 HB2 TYR 35 -17.385 6.794 1.100 260 HB3 TYR 35 HB3 TYR 35 -16.856 6.773 -0.572 261 HD1 TYR 35 HD1 TYR 35 -16.267 4.435 -1.569 262 HD2 TYR 35 HD2 TYR 35 -18.609 5.007 1.935 263 HE1 TYR 35 HE1 TYR 35 -17.192 2.171 -1.823 264 HE2 TYR 35 HE2 TYR 35 -19.544 2.748 1.688 265 HH TYR 35 HH TYR 35 -18.734 0.545 0.597 266 HA PRO 36 HA PRO 36 -15.989 9.026 3.988 267 HB2 PRO 36 HB2 PRO 36 -15.866 7.632 6.340 268 HB3 PRO 36 HB3 PRO 36 -17.353 7.874 5.417 269 HG2 PRO 36 HG2 PRO 36 -15.522 5.511 5.477 270 HG3 PRO 36 HG3 PRO 36 -17.294 5.553 5.492 271 HD2 PRO 36 HD2 PRO 36 -15.923 5.005 3.255 272 HD3 PRO 36 HD3 PRO 36 -17.432 5.942 3.212 273 H LYS 37 H LYS 37 -13.552 6.573 3.871 274 HA LYS 37 HA LYS 37 -11.780 8.079 5.633 275 HB2 LYS 37 HB2 LYS 37 -11.501 5.354 4.376 276 HB3 LYS 37 HB3 LYS 37 -10.271 6.103 5.380 277 HG2 LYS 37 HG2 LYS 37 -12.371 6.312 7.027 278 HG3 LYS 37 HG3 LYS 37 -12.836 4.866 6.131 279 HD2 LYS 37 HD2 LYS 37 -11.561 3.779 7.621 280 HD3 LYS 37 HD3 LYS 37 -10.208 4.371 6.655 281 HE2 LYS 37 HE2 LYS 37 -9.773 6.133 8.133 282 HE3 LYS 37 HE3 LYS 37 -11.356 6.005 8.898 283 HZ1 LYS 37 HZ1 LYS 37 -9.226 3.938 9.092 284 HZ2 LYS 37 HZ2 LYS 37 -10.706 3.954 9.922 285 HZ3 LYS 37 HZ3 LYS 37 -9.527 5.120 10.274 286 H GLY 38 H GLY 38 -12.523 7.926 2.382 287 HA2 GLY 38 HA3 GLY 38 -11.527 8.834 0.519 288 HA3 GLY 38 HA2 GLY 38 -10.374 9.601 1.603 289 H THR 39 H THR 39 -10.829 6.152 1.531 290 HA THR 39 HA THR 39 -8.075 5.919 0.512 291 HB THR 39 HB THR 39 -9.284 3.832 2.267 292 HG1 THR 39 HG1 THR 39 -8.834 6.419 2.995 293 HG21 THR 39 HG21 THR 39 -7.171 3.276 1.327 294 HG22 THR 39 HG22 THR 39 -6.885 3.690 3.018 295 HG23 THR 39 HG23 THR 39 -6.499 4.851 1.747 296 H ALA 40 H ALA 40 -7.564 4.278 -0.847 297 HA ALA 40 HA ALA 40 -9.668 2.379 -1.597 298 HB1 ALA 40 HB1 ALA 40 -9.132 2.510 -3.886 299 HB2 ALA 40 HB2 ALA 40 -9.215 4.189 -3.349 300 HB3 ALA 40 HB3 ALA 40 -7.648 3.411 -3.573 301 H GLN 41 H GLN 41 -8.927 0.684 -0.459 302 HA GLN 41 HA GLN 41 -6.084 0.042 -0.484 303 HB2 GLN 41 HB2 GLN 41 -7.868 -0.076 1.525 304 HB3 GLN 41 HB3 GLN 41 -8.044 -1.709 0.899 305 HG2 GLN 41 HG2 GLN 41 -5.271 -1.112 1.112 306 HG3 GLN 41 HG3 GLN 41 -6.065 -0.696 2.631 307 HE21 GLN 41 HE21 GLN 41 -4.218 -2.900 1.830 308 HE22 GLN 41 HE22 GLN 41 -5.020 -4.353 2.331 309 H LEU 42 H LEU 42 -5.778 -0.666 -2.571 310 HA LEU 42 HA LEU 42 -7.427 -2.920 -3.460 311 HB2 LEU 42 HB2 LEU 42 -6.173 -0.643 -4.813 312 HB3 LEU 42 HB3 LEU 42 -5.976 -2.173 -5.650 313 HG LEU 42 HG LEU 42 -8.661 -2.149 -4.964 314 HD11 LEU 42 HD11 LEU 42 -8.977 0.041 -4.413 315 HD12 LEU 42 HD12 LEU 42 -7.669 0.609 -5.449 316 HD13 LEU 42 HD13 LEU 42 -9.212 0.133 -6.159 317 HD21 LEU 42 HD21 LEU 42 -8.780 -1.390 -7.501 318 HD22 LEU 42 HD22 LEU 42 -7.054 -1.742 -7.424 319 HD23 LEU 42 HD23 LEU 42 -8.228 -2.997 -7.029 320 H ALA 43 H ALA 43 -6.577 -4.807 -3.152 321 HA ALA 43 HA ALA 43 -3.697 -5.213 -3.186 322 HB1 ALA 43 HB1 ALA 43 -5.033 -7.668 -2.834 323 HB2 ALA 43 HB2 ALA 43 -4.186 -6.720 -1.613 324 HB3 ALA 43 HB3 ALA 43 -5.915 -6.482 -1.871 325 H ILE 44 H ILE 44 -3.347 -4.866 -5.337 326 HA ILE 44 HA ILE 44 -4.875 -6.251 -7.342 327 HB ILE 44 HB ILE 44 -3.193 -5.204 -8.930 328 HG12 ILE 44 HG12 ILE 44 -2.393 -3.162 -7.030 329 HG13 ILE 44 HG13 ILE 44 -1.791 -4.746 -6.548 330 HG21 ILE 44 HG21 ILE 44 -5.346 -4.226 -8.644 331 HG22 ILE 44 HG22 ILE 44 -4.875 -3.497 -7.109 332 HG23 ILE 44 HG23 ILE 44 -4.159 -2.922 -8.617 333 HD11 ILE 44 HD11 ILE 44 -1.427 -3.727 -9.339 334 HD12 ILE 44 HD12 ILE 44 -0.316 -3.294 -8.039 335 HD13 ILE 44 HD13 ILE 44 -0.529 -4.986 -8.489 336 H VAL 45 H VAL 45 -3.986 -7.596 -8.948 337 HA VAL 45 HA VAL 45 -2.251 -9.626 -7.912 338 HB VAL 45 HB VAL 45 -3.741 -9.256 -10.478 339 HG11 VAL 45 HG11 VAL 45 -2.245 -10.514 -11.549 340 HG12 VAL 45 HG12 VAL 45 -1.415 -10.938 -10.052 341 HG13 VAL 45 HG13 VAL 45 -2.836 -11.850 -10.559 342 HG21 VAL 45 HG21 VAL 45 -4.979 -11.196 -9.741 343 HG22 VAL 45 HG22 VAL 45 -3.908 -11.377 -8.352 344 HG23 VAL 45 HG23 VAL 45 -4.967 -9.973 -8.471 345 HA PRO 46 HA PRO 46 1.650 -7.943 -9.351 346 HB2 PRO 46 HB2 PRO 46 2.261 -10.852 -9.603 347 HB3 PRO 46 HB3 PRO 46 3.194 -9.572 -8.822 348 HG2 PRO 46 HG2 PRO 46 1.811 -11.298 -7.355 349 HG3 PRO 46 HG3 PRO 46 1.864 -9.580 -6.918 350 HD2 PRO 46 HD2 PRO 46 -0.331 -11.139 -8.212 351 HD3 PRO 46 HD3 PRO 46 -0.428 -9.820 -7.027 352 H GLY 47 H GLY 47 2.332 -7.412 -11.335 353 HA2 GLY 47 HA3 GLY 47 2.654 -8.106 -13.709 354 HA3 GLY 47 HA2 GLY 47 1.044 -8.820 -13.600 355 H THR 48 H THR 48 -0.202 -6.865 -12.099 356 HA THR 48 HA THR 48 -0.519 -4.661 -13.928 357 HB THR 48 HB THR 48 -1.752 -4.478 -11.257 358 HG1 THR 48 HG1 THR 48 -2.100 -6.626 -11.332 359 HG21 THR 48 HG21 THR 48 -3.238 -4.600 -13.850 360 HG22 THR 48 HG22 THR 48 -2.237 -3.192 -13.497 361 HG23 THR 48 HG23 THR 48 -3.561 -3.626 -12.416 362 H SER 49 H SER 49 -0.720 -2.423 -12.689 363 HA SER 49 HA SER 49 1.429 -2.083 -10.816 364 HB2 SER 49 HB2 SER 49 1.522 -0.770 -13.537 365 HB3 SER 49 HB3 SER 49 2.628 -0.426 -12.205 366 HG SER 49 HG SER 49 2.546 -3.069 -12.615 367 HA PRO 50 HA PRO 50 -1.296 0.900 -9.178 368 HB2 PRO 50 HB2 PRO 50 1.104 2.530 -8.535 369 HB3 PRO 50 HB3 PRO 50 -0.163 1.922 -7.463 370 HG2 PRO 50 HG2 PRO 50 2.264 0.813 -7.486 371 HG3 PRO 50 HG3 PRO 50 0.805 -0.176 -7.290 372 HD2 PRO 50 HD2 PRO 50 2.531 0.201 -9.701 373 HD3 PRO 50 HD3 PRO 50 1.710 -1.261 -9.117 374 H ASP 51 H ASP 51 1.284 2.039 -11.265 375 HA ASP 51 HA ASP 51 0.306 4.599 -11.848 376 HB2 ASP 51 HB2 ASP 51 2.502 4.014 -12.608 377 HB3 ASP 51 HB3 ASP 51 1.892 2.634 -13.515 378 H ALA 52 H ALA 52 -0.712 1.455 -12.919 379 HA ALA 52 HA ALA 52 -2.239 2.429 -15.163 380 HB1 ALA 52 HB1 ALA 52 -1.187 0.075 -14.821 381 HB2 ALA 52 HB2 ALA 52 -2.670 -0.259 -13.926 382 HB3 ALA 52 HB3 ALA 52 -2.751 0.223 -15.622 383 H LEU 53 H LEU 53 -2.742 1.781 -11.804 384 HA LEU 53 HA LEU 53 -5.618 1.730 -11.972 385 HB2 LEU 53 HB2 LEU 53 -3.739 1.793 -9.631 386 HB3 LEU 53 HB3 LEU 53 -5.481 1.700 -9.480 387 HG LEU 53 HG LEU 53 -4.458 -0.361 -11.237 388 HD11 LEU 53 HD11 LEU 53 -2.523 -0.699 -10.108 389 HD12 LEU 53 HD12 LEU 53 -3.112 0.082 -8.642 390 HD13 LEU 53 HD13 LEU 53 -3.595 -1.573 -9.013 391 HD21 LEU 53 HD21 LEU 53 -5.634 -1.707 -9.316 392 HD22 LEU 53 HD22 LEU 53 -6.234 -0.110 -8.865 393 HD23 LEU 53 HD23 LEU 53 -6.574 -0.760 -10.469 394 H THR 54 H THR 54 -3.148 3.889 -10.617 395 HA THR 54 HA THR 54 -4.755 6.010 -9.843 396 HB THR 54 HB THR 54 -2.049 6.347 -11.143 397 HG1 THR 54 HG1 THR 54 -1.148 5.416 -9.460 398 HG21 THR 54 HG21 THR 54 -2.940 7.800 -8.705 399 HG22 THR 54 HG22 THR 54 -3.639 8.274 -10.254 400 HG23 THR 54 HG23 THR 54 -1.891 8.334 -10.020 401 H ALA 55 H ALA 55 -3.244 5.344 -12.982 402 HA ALA 55 HA ALA 55 -4.291 7.586 -14.346 403 HB1 ALA 55 HB1 ALA 55 -3.104 6.842 -16.089 404 HB2 ALA 55 HB2 ALA 55 -2.458 5.660 -14.952 405 HB3 ALA 55 HB3 ALA 55 -3.806 5.227 -16.002 406 H ALA 56 H ALA 56 -5.476 4.283 -13.883 407 HA ALA 56 HA ALA 56 -7.656 4.409 -15.649 408 HB1 ALA 56 HB1 ALA 56 -7.953 2.915 -13.093 409 HB2 ALA 56 HB2 ALA 56 -8.356 2.430 -14.740 410 HB3 ALA 56 HB3 ALA 56 -6.674 2.428 -14.205 411 H VAL 57 H VAL 57 -7.319 5.411 -12.287 412 HA VAL 57 HA VAL 57 -10.061 6.157 -11.991 413 HB VAL 57 HB VAL 57 -7.698 7.045 -10.320 414 HG11 VAL 57 HG11 VAL 57 -9.199 7.782 -8.718 415 HG12 VAL 57 HG12 VAL 57 -9.994 8.253 -10.221 416 HG13 VAL 57 HG13 VAL 57 -10.522 6.807 -9.363 417 HG21 VAL 57 HG21 VAL 57 -7.556 4.912 -9.675 418 HG22 VAL 57 HG22 VAL 57 -9.126 5.135 -8.906 419 HG23 VAL 57 HG23 VAL 57 -9.030 4.479 -10.539 420 H ALA 58 H ALA 58 -7.037 7.873 -12.721 421 HA ALA 58 HA ALA 58 -8.148 10.480 -12.730 422 HB1 ALA 58 HB1 ALA 58 -6.147 11.178 -13.816 423 HB2 ALA 58 HB2 ALA 58 -5.702 9.906 -12.678 424 HB3 ALA 58 HB3 ALA 58 -5.823 9.546 -14.400 425 H GLY 59 H GLY 59 -7.662 8.086 -15.293 426 HA2 GLY 59 HA3 GLY 59 -8.841 9.719 -17.335 427 HA3 GLY 59 HA2 GLY 59 -8.410 8.022 -17.472 428 H LEU 60 H LEU 60 -10.131 7.731 -14.873 429 HA LEU 60 HA LEU 60 -12.604 7.145 -16.218 430 HB2 LEU 60 HB2 LEU 60 -11.376 6.432 -13.769 431 HB3 LEU 60 HB3 LEU 60 -12.926 7.150 -13.395 432 HG LEU 60 HG LEU 60 -12.833 4.628 -13.701 433 HD11 LEU 60 HD11 LEU 60 -15.042 4.696 -14.008 434 HD12 LEU 60 HD12 LEU 60 -14.828 6.446 -14.037 435 HD13 LEU 60 HD13 LEU 60 -14.899 5.541 -15.550 436 HD21 LEU 60 HD21 LEU 60 -11.602 4.276 -15.637 437 HD22 LEU 60 HD22 LEU 60 -13.266 4.031 -16.168 438 HD23 LEU 60 HD23 LEU 60 -12.441 5.551 -16.520 439 H GLY 61 H GLY 61 -11.332 9.995 -15.248 440 HA2 GLY 61 HA3 GLY 61 -12.534 12.035 -15.517 441 HA3 GLY 61 HA2 GLY 61 -14.006 11.199 -15.038 442 H TYR 62 H TYR 62 -11.928 10.024 -12.942 443 HA TYR 62 HA TYR 62 -12.510 12.093 -10.947 444 HB2 TYR 62 HB2 TYR 62 -11.614 9.243 -10.470 445 HB3 TYR 62 HB3 TYR 62 -12.220 10.377 -9.269 446 HD1 TYR 62 HD2 TYR 62 -14.627 10.990 -9.257 447 HD2 TYR 62 HD1 TYR 62 -13.105 7.955 -11.817 448 HE1 TYR 62 HE2 TYR 62 -16.913 10.153 -9.609 449 HE2 TYR 62 HE1 TYR 62 -15.387 7.108 -12.182 450 HH TYR 62 HH TYR 62 -17.531 7.286 -11.632 451 H LYS 63 H LYS 63 -10.515 10.993 -9.129 452 HA LYS 63 HA LYS 63 -7.960 11.285 -10.419 453 HB2 LYS 63 HB2 LYS 63 -8.889 13.650 -9.881 454 HB3 LYS 63 HB3 LYS 63 -8.552 13.233 -8.205 455 HG2 LYS 63 HG2 LYS 63 -6.189 12.637 -9.123 456 HG3 LYS 63 HG3 LYS 63 -6.663 13.683 -10.464 457 HD2 LYS 63 HD2 LYS 63 -7.346 15.322 -8.534 458 HD3 LYS 63 HD3 LYS 63 -6.202 14.360 -7.593 459 HE2 LYS 63 HE2 LYS 63 -4.505 15.461 -8.503 460 HE3 LYS 63 HE3 LYS 63 -5.025 14.958 -10.111 461 HZ1 LYS 63 HZ1 LYS 63 -6.721 16.928 -9.698 462 HZ2 LYS 63 HZ2 LYS 63 -5.186 17.184 -10.363 463 HZ3 LYS 63 HZ3 LYS 63 -5.458 17.482 -8.716 464 H ALA 64 H ALA 64 -6.351 10.334 -9.254 465 HA ALA 64 HA ALA 64 -6.857 9.642 -6.462 466 HB1 ALA 64 HB1 ALA 64 -6.659 7.729 -8.705 467 HB2 ALA 64 HB2 ALA 64 -5.742 7.327 -7.253 468 HB3 ALA 64 HB3 ALA 64 -7.484 7.579 -7.154 469 H THR 65 H THR 65 -4.955 9.158 -5.289 470 HA THR 65 HA THR 65 -2.405 9.459 -6.675 471 HB THR 65 HB THR 65 -2.167 10.898 -4.232 472 HG1 THR 65 HG1 THR 65 -4.441 11.523 -5.782 473 HG21 THR 65 HG21 THR 65 -1.059 12.416 -5.544 474 HG22 THR 65 HG22 THR 65 -2.219 12.283 -6.867 475 HG23 THR 65 HG23 THR 65 -1.019 11.015 -6.615 476 H LEU 66 H LEU 66 -1.353 7.661 -6.139 477 HA LEU 66 HA LEU 66 -1.863 6.092 -3.859 478 HB2 LEU 66 HB2 LEU 66 -0.655 5.472 -6.052 479 HB3 LEU 66 HB3 LEU 66 0.775 6.156 -5.303 480 HG LEU 66 HG LEU 66 -0.169 4.400 -3.380 481 HD11 LEU 66 HD11 LEU 66 -1.727 3.556 -5.187 482 HD12 LEU 66 HD12 LEU 66 -0.288 2.967 -6.019 483 HD13 LEU 66 HD13 LEU 66 -0.694 2.349 -4.419 484 HD21 LEU 66 HD21 LEU 66 2.069 4.611 -5.244 485 HD22 LEU 66 HD22 LEU 66 2.053 4.202 -3.530 486 HD23 LEU 66 HD23 LEU 66 1.724 2.957 -4.737 487 H ALA 67 H ALA 67 -0.710 5.894 -1.904 488 HA ALA 67 HA ALA 67 1.205 8.028 -1.283 489 HB1 ALA 67 HB1 ALA 67 -0.474 9.204 -0.346 490 HB2 ALA 67 HB2 ALA 67 -1.533 7.798 -0.235 491 HB3 ALA 67 HB3 ALA 67 -0.283 8.059 0.983 492 H ASP 68 H ASP 68 1.072 5.089 -1.630 493 HA ASP 68 HA ASP 68 1.756 3.134 -0.636 494 HB2 ASP 68 HB2 ASP 68 3.730 4.371 -1.520 495 HB3 ASP 68 HB3 ASP 68 4.026 4.943 0.116 496 H ALA 69 H ALA 69 0.307 2.767 1.047 497 HA ALA 69 HA ALA 69 1.619 2.768 3.633 498 HB1 ALA 69 HB1 ALA 69 -0.959 4.179 3.062 499 HB2 ALA 69 HB2 ALA 69 -0.707 3.414 4.630 500 HB3 ALA 69 HB3 ALA 69 0.391 4.679 4.081 Start of MODEL 7 1 H1 MET 1 H1 MET 1 2.468 -3.280 -3.007 2 H2 MET 1 H2 MET 1 2.331 -2.575 -4.539 3 H3 MET 1 H3 MET 1 1.031 -3.448 -3.890 4 HA MET 1 HA MET 1 1.907 -1.320 -2.190 5 HB2 MET 1 HB2 MET 1 0.901 -0.716 -4.975 6 HB3 MET 1 HB3 MET 1 0.761 0.427 -3.647 7 HG2 MET 1 HG2 MET 1 2.683 1.086 -4.776 8 HG3 MET 1 HG3 MET 1 3.284 0.177 -3.388 9 HE1 MET 1 HE1 MET 1 5.494 -2.324 -4.727 10 HE2 MET 1 HE2 MET 1 5.840 -0.601 -4.569 11 HE3 MET 1 HE3 MET 1 4.803 -1.405 -3.390 12 H THR 2 H THR 2 0.147 -0.584 -0.999 13 HA THR 2 HA THR 2 -2.441 -1.836 -1.614 14 HB THR 2 HB THR 2 -2.238 -2.038 1.155 15 HG1 THR 2 HG1 THR 2 0.059 -1.796 0.949 16 HG21 THR 2 HG21 THR 2 -2.087 -4.515 0.648 17 HG22 THR 2 HG22 THR 2 -1.962 -4.070 -1.053 18 HG23 THR 2 HG23 THR 2 -3.409 -3.651 -0.138 19 H HIS 3 H HIS 3 -1.398 0.965 -1.668 20 HA HIS 3 HA HIS 3 -3.549 2.130 -0.119 21 HB2 HIS 3 HB2 HIS 3 -1.482 1.973 1.380 22 HB3 HIS 3 HB3 HIS 3 -0.765 3.191 0.332 23 HD1 HIS 3 HD1 HIS 3 -2.581 2.901 3.384 24 HD2 HIS 3 HD2 HIS 3 -2.553 5.619 0.234 25 HE1 HIS 3 HE1 HIS 3 -3.641 4.994 4.281 26 HE2 HIS 3 HE2 HIS 3 -3.341 6.697 2.446 27 H LEU 4 H LEU 4 -4.482 2.934 -1.943 28 HA LEU 4 HA LEU 4 -3.014 5.163 -3.187 29 HB2 LEU 4 HB2 LEU 4 -5.341 3.632 -4.322 30 HB3 LEU 4 HB3 LEU 4 -4.531 4.975 -5.099 31 HG LEU 4 HG LEU 4 -3.223 2.327 -4.463 32 HD11 LEU 4 HD11 LEU 4 -3.350 1.926 -6.881 33 HD12 LEU 4 HD12 LEU 4 -4.947 2.034 -6.141 34 HD13 LEU 4 HD13 LEU 4 -4.311 3.396 -7.064 35 HD21 LEU 4 HD21 LEU 4 -1.565 3.257 -6.176 36 HD22 LEU 4 HD22 LEU 4 -2.315 4.822 -5.861 37 HD23 LEU 4 HD23 LEU 4 -1.529 3.942 -4.551 38 H LYS 5 H LYS 5 -4.230 7.125 -3.491 39 HA LYS 5 HA LYS 5 -6.477 7.330 -1.594 40 HB2 LYS 5 HB2 LYS 5 -4.208 8.620 -1.272 41 HB3 LYS 5 HB3 LYS 5 -4.884 9.704 -2.479 42 HG2 LYS 5 HG2 LYS 5 -6.889 9.962 -1.024 43 HG3 LYS 5 HG3 LYS 5 -6.039 9.033 0.213 44 HD2 LYS 5 HD2 LYS 5 -5.567 11.217 0.822 45 HD3 LYS 5 HD3 LYS 5 -4.151 10.778 -0.136 46 HE2 LYS 5 HE2 LYS 5 -6.377 11.915 -1.675 47 HE3 LYS 5 HE3 LYS 5 -5.648 13.019 -0.509 48 HZ1 LYS 5 HZ1 LYS 5 -4.180 13.391 -2.130 49 HZ2 LYS 5 HZ2 LYS 5 -4.580 11.976 -2.976 50 HZ3 LYS 5 HZ3 LYS 5 -3.492 11.908 -1.677 51 H ILE 6 H ILE 6 -8.394 8.176 -2.295 52 HA ILE 6 HA ILE 6 -8.593 8.698 -5.155 53 HB ILE 6 HB ILE 6 -10.255 7.198 -4.154 54 HG12 ILE 6 HG12 ILE 6 -11.910 9.568 -4.828 55 HG13 ILE 6 HG13 ILE 6 -10.713 9.071 -6.021 56 HG21 ILE 6 HG21 ILE 6 -12.088 8.391 -2.757 57 HG22 ILE 6 HG22 ILE 6 -10.606 7.848 -1.970 58 HG23 ILE 6 HG23 ILE 6 -10.806 9.547 -2.398 59 HD11 ILE 6 HD11 ILE 6 -13.189 7.725 -5.139 60 HD12 ILE 6 HD12 ILE 6 -12.453 7.819 -6.738 61 HD13 ILE 6 HD13 ILE 6 -11.813 6.697 -5.537 62 H THR 7 H THR 7 -8.961 10.673 -6.038 63 HA THR 7 HA THR 7 -9.175 12.928 -4.149 64 HB THR 7 HB THR 7 -7.871 13.663 -6.625 65 HG1 THR 7 HG1 THR 7 -7.146 11.274 -5.470 66 HG21 THR 7 HG21 THR 7 -6.081 14.336 -4.953 67 HG22 THR 7 HG22 THR 7 -7.160 13.723 -3.698 68 HG23 THR 7 HG23 THR 7 -7.671 15.064 -4.724 69 H GLY 8 H GLY 8 -10.184 11.521 -7.164 70 HA2 GLY 8 HA3 GLY 8 -11.548 13.807 -8.197 71 HA3 GLY 8 HA2 GLY 8 -11.773 12.142 -8.716 72 H MET 9 H MET 9 -12.232 11.689 -5.664 73 HA MET 9 HA MET 9 -14.608 13.004 -4.943 74 HB2 MET 9 HB2 MET 9 -15.008 10.882 -6.784 75 HB3 MET 9 HB3 MET 9 -15.534 10.295 -5.210 76 HG2 MET 9 HG2 MET 9 -16.533 12.674 -6.741 77 HG3 MET 9 HG3 MET 9 -17.429 11.246 -6.215 78 HE1 MET 9 HE1 MET 9 -17.633 15.110 -4.683 79 HE2 MET 9 HE2 MET 9 -17.916 14.211 -6.175 80 HE3 MET 9 HE3 MET 9 -19.069 14.096 -4.849 81 H THR 10 H THR 10 -15.728 11.223 -3.165 82 HA THR 10 HA THR 10 -13.596 9.815 -1.840 83 HB THR 10 HB THR 10 -13.424 12.318 -1.240 84 HG1 THR 10 HG1 THR 10 -12.143 11.043 -0.057 85 HG21 THR 10 HG21 THR 10 -14.754 12.670 0.981 86 HG22 THR 10 HG22 THR 10 -15.883 11.525 0.256 87 HG23 THR 10 HG23 THR 10 -15.505 13.037 -0.571 88 H CYS 11 H CYS 11 -16.965 10.950 -1.583 89 HA CYS 11 HA CYS 11 -17.708 9.368 0.597 90 HB2 CYS 11 HB2 CYS 11 -19.899 9.773 -1.224 91 HB3 CYS 11 HB3 CYS 11 -19.624 10.460 0.371 92 H ASP 12 H ASP 12 -20.041 8.427 -1.658 93 HA ASP 12 HA ASP 12 -19.070 5.725 -1.014 94 HB2 ASP 12 HB2 ASP 12 -21.616 5.156 -1.113 95 HB3 ASP 12 HB3 ASP 12 -20.938 5.929 0.314 96 H SER 13 H SER 13 -21.745 6.709 -3.147 97 HA SER 13 HA SER 13 -21.533 4.504 -4.800 98 HB2 SER 13 HB2 SER 13 -22.642 6.417 -6.446 99 HB3 SER 13 HB3 SER 13 -23.523 5.445 -5.266 100 HG SER 13 HG SER 13 -23.355 7.100 -3.783 101 H CYS 14 H CYS 14 -20.021 7.673 -5.190 102 HA CYS 14 HA CYS 14 -18.854 7.197 -7.706 103 HB2 CYS 14 HB2 CYS 14 -17.198 8.836 -5.985 104 HB3 CYS 14 HB3 CYS 14 -18.110 9.291 -7.421 105 H ALA 15 H ALA 15 -17.439 6.928 -4.436 106 HA ALA 15 HA ALA 15 -15.127 5.503 -5.377 107 HB1 ALA 15 HB1 ALA 15 -14.477 6.552 -3.491 108 HB2 ALA 15 HB2 ALA 15 -16.099 6.537 -2.799 109 HB3 ALA 15 HB3 ALA 15 -15.090 5.095 -2.709 110 H ALA 16 H ALA 16 -17.169 4.159 -6.368 111 HA ALA 16 HA ALA 16 -16.971 1.547 -5.205 112 HB1 ALA 16 HB1 ALA 16 -19.218 3.195 -4.495 113 HB2 ALA 16 HB2 ALA 16 -19.762 1.822 -5.459 114 HB3 ALA 16 HB3 ALA 16 -18.839 1.551 -3.980 115 H HIS 17 H HIS 17 -18.756 3.672 -7.425 116 HA HIS 17 HA HIS 17 -18.927 1.747 -9.506 117 HB2 HIS 17 HB2 HIS 17 -20.154 4.040 -9.223 118 HB3 HIS 17 HB3 HIS 17 -18.741 4.678 -10.052 119 HD1 HIS 17 HD1 HIS 17 -21.925 2.970 -10.639 120 HD2 HIS 17 HD2 HIS 17 -18.364 3.556 -12.704 121 HE1 HIS 17 HE1 HIS 17 -22.447 2.467 -13.045 122 HE2 HIS 17 HE2 HIS 17 -20.357 3.093 -14.299 123 H VAL 18 H VAL 18 -16.591 4.177 -8.564 124 HA VAL 18 HA VAL 18 -14.727 3.798 -10.644 125 HB VAL 18 HB VAL 18 -14.361 4.668 -7.768 126 HG11 VAL 18 HG11 VAL 18 -12.136 4.687 -7.943 127 HG12 VAL 18 HG12 VAL 18 -12.340 3.635 -9.344 128 HG13 VAL 18 HG13 VAL 18 -12.194 5.378 -9.566 129 HG21 VAL 18 HG21 VAL 18 -15.587 6.236 -9.134 130 HG22 VAL 18 HG22 VAL 18 -13.974 6.876 -8.815 131 HG23 VAL 18 HG23 VAL 18 -14.346 6.165 -10.384 132 H LYS 19 H LYS 19 -15.327 2.164 -7.596 133 HA LYS 19 HA LYS 19 -13.167 0.362 -7.676 134 HB2 LYS 19 HB2 LYS 19 -14.238 0.505 -5.598 135 HB3 LYS 19 HB3 LYS 19 -15.840 0.359 -6.301 136 HG2 LYS 19 HG2 LYS 19 -14.685 -2.018 -6.970 137 HG3 LYS 19 HG3 LYS 19 -13.984 -1.691 -5.387 138 HD2 LYS 19 HD2 LYS 19 -16.583 -1.055 -4.947 139 HD3 LYS 19 HD3 LYS 19 -16.749 -2.347 -6.138 140 HE2 LYS 19 HE2 LYS 19 -14.825 -2.826 -3.958 141 HE3 LYS 19 HE3 LYS 19 -16.526 -2.776 -3.498 142 HZ1 LYS 19 HZ1 LYS 19 -15.159 -4.636 -5.335 143 HZ2 LYS 19 HZ2 LYS 19 -16.832 -4.375 -5.466 144 HZ3 LYS 19 HZ3 LYS 19 -16.179 -4.985 -4.028 145 H GLU 20 H GLU 20 -16.459 0.233 -8.975 146 HA GLU 20 HA GLU 20 -16.415 -2.388 -9.966 147 HB2 GLU 20 HB2 GLU 20 -17.839 0.095 -10.927 148 HB3 GLU 20 HB3 GLU 20 -18.077 -1.478 -11.675 149 HG2 GLU 20 HG2 GLU 20 -19.031 -2.373 -9.709 150 HG3 GLU 20 HG3 GLU 20 -18.527 -0.983 -8.748 151 H ALA 21 H ALA 21 -15.681 0.673 -11.646 152 HA ALA 21 HA ALA 21 -14.736 -0.490 -14.017 153 HB1 ALA 21 HB1 ALA 21 -13.771 1.648 -14.518 154 HB2 ALA 21 HB2 ALA 21 -15.326 1.895 -13.724 155 HB3 ALA 21 HB3 ALA 21 -13.830 2.118 -12.818 156 H LEU 22 H LEU 22 -13.080 0.271 -10.998 157 HA LEU 22 HA LEU 22 -10.454 -0.287 -11.853 158 HB2 LEU 22 HB2 LEU 22 -11.838 0.147 -9.310 159 HB3 LEU 22 HB3 LEU 22 -10.482 -0.953 -9.180 160 HG LEU 22 HG LEU 22 -10.289 1.811 -10.367 161 HD11 LEU 22 HD11 LEU 22 -10.710 1.177 -7.702 162 HD12 LEU 22 HD12 LEU 22 -8.963 1.393 -7.826 163 HD13 LEU 22 HD13 LEU 22 -10.050 2.686 -8.333 164 HD21 LEU 22 HD21 LEU 22 -8.556 -0.424 -10.404 165 HD22 LEU 22 HD22 LEU 22 -8.245 1.212 -10.983 166 HD23 LEU 22 HD23 LEU 22 -7.855 0.776 -9.319 167 H GLU 23 H GLU 23 -12.880 -2.323 -10.230 168 HA GLU 23 HA GLU 23 -11.220 -4.641 -10.203 169 HB2 GLU 23 HB2 GLU 23 -14.076 -4.053 -9.568 170 HB3 GLU 23 HB3 GLU 23 -13.615 -5.729 -9.842 171 HG2 GLU 23 HG2 GLU 23 -12.083 -5.702 -8.045 172 HG3 GLU 23 HG3 GLU 23 -12.179 -3.949 -7.900 173 H LYS 24 H LYS 24 -13.169 -3.150 -12.579 174 HA LYS 24 HA LYS 24 -13.487 -5.434 -14.266 175 HB2 LYS 24 HB2 LYS 24 -14.149 -2.635 -14.348 176 HB3 LYS 24 HB3 LYS 24 -13.373 -3.100 -15.856 177 HG2 LYS 24 HG2 LYS 24 -15.043 -4.605 -16.404 178 HG3 LYS 24 HG3 LYS 24 -15.600 -4.747 -14.736 179 HD2 LYS 24 HD2 LYS 24 -16.401 -2.412 -14.843 180 HD3 LYS 24 HD3 LYS 24 -15.920 -2.349 -16.539 181 HE2 LYS 24 HE2 LYS 24 -17.818 -3.316 -17.166 182 HE3 LYS 24 HE3 LYS 24 -17.542 -4.669 -16.070 183 HZ1 LYS 24 HZ1 LYS 24 -19.613 -3.164 -15.783 184 HZ2 LYS 24 HZ2 LYS 24 -18.536 -2.122 -14.995 185 HZ3 LYS 24 HZ3 LYS 24 -18.768 -3.703 -14.413 186 H VAL 25 H VAL 25 -10.941 -3.179 -13.608 187 HA VAL 25 HA VAL 25 -9.364 -3.686 -15.931 188 HB VAL 25 HB VAL 25 -8.641 -2.568 -13.214 189 HG11 VAL 25 HG11 VAL 25 -6.728 -1.836 -15.172 190 HG12 VAL 25 HG12 VAL 25 -6.484 -2.769 -13.696 191 HG13 VAL 25 HG13 VAL 25 -6.888 -3.592 -15.203 192 HG21 VAL 25 HG21 VAL 25 -8.715 -0.440 -14.207 193 HG22 VAL 25 HG22 VAL 25 -8.742 -1.112 -15.838 194 HG23 VAL 25 HG23 VAL 25 -10.156 -1.273 -14.796 195 HA PRO 26 HA PRO 26 -8.084 -7.771 -14.691 196 HB2 PRO 26 HB2 PRO 26 -6.066 -7.416 -16.824 197 HB3 PRO 26 HB3 PRO 26 -7.315 -8.655 -16.661 198 HG2 PRO 26 HG2 PRO 26 -7.517 -6.714 -18.496 199 HG3 PRO 26 HG3 PRO 26 -8.944 -7.324 -17.636 200 HD2 PRO 26 HD2 PRO 26 -7.372 -4.815 -17.159 201 HD3 PRO 26 HD3 PRO 26 -9.134 -5.058 -17.154 202 H GLY 27 H GLY 27 -6.641 -8.427 -13.238 203 HA2 GLY 27 HA3 GLY 27 -4.376 -8.446 -12.338 204 HA3 GLY 27 HA2 GLY 27 -4.249 -6.751 -12.801 205 H VAL 28 H VAL 28 -7.133 -6.505 -11.927 206 HA VAL 28 HA VAL 28 -6.595 -5.985 -9.109 207 HB VAL 28 HB VAL 28 -8.869 -5.179 -10.918 208 HG11 VAL 28 HG11 VAL 28 -10.053 -4.397 -9.172 209 HG12 VAL 28 HG12 VAL 28 -9.068 -5.493 -8.202 210 HG13 VAL 28 HG13 VAL 28 -8.613 -3.796 -8.349 211 HG21 VAL 28 HG21 VAL 28 -6.884 -3.367 -9.583 212 HG22 VAL 28 HG22 VAL 28 -6.551 -4.117 -11.145 213 HG23 VAL 28 HG23 VAL 28 -7.933 -3.036 -10.963 214 H GLN 29 H GLN 29 -7.248 -7.406 -7.604 215 HA GLN 29 HA GLN 29 -9.199 -9.445 -8.370 216 HB2 GLN 29 HB2 GLN 29 -7.393 -9.284 -5.947 217 HB3 GLN 29 HB3 GLN 29 -8.463 -10.626 -6.330 218 HG2 GLN 29 HG2 GLN 29 -7.130 -11.409 -7.991 219 HG3 GLN 29 HG3 GLN 29 -6.506 -9.813 -8.397 220 HE21 GLN 29 HE21 GLN 29 -5.900 -9.298 -5.531 221 HE22 GLN 29 HE22 GLN 29 -4.440 -10.179 -5.218 222 H SER 30 H SER 30 -8.622 -7.037 -5.820 223 HA SER 30 HA SER 30 -11.485 -6.780 -5.439 224 HB2 SER 30 HB2 SER 30 -10.335 -6.991 -2.813 225 HB3 SER 30 HB3 SER 30 -11.652 -7.925 -3.518 226 HG SER 30 HG SER 30 -10.298 -9.492 -4.064 227 H ALA 31 H ALA 31 -12.054 -4.753 -4.895 228 HA ALA 31 HA ALA 31 -9.905 -2.932 -4.024 229 HB1 ALA 31 HB1 ALA 31 -10.618 -1.363 -5.454 230 HB2 ALA 31 HB2 ALA 31 -11.438 -2.695 -6.269 231 HB3 ALA 31 HB3 ALA 31 -12.319 -1.690 -5.119 232 H LEU 32 H LEU 32 -10.042 -2.595 -1.930 233 HA LEU 32 HA LEU 32 -12.654 -2.610 -0.599 234 HB2 LEU 32 HB2 LEU 32 -9.918 -2.548 0.672 235 HB3 LEU 32 HB3 LEU 32 -11.444 -2.894 1.460 236 HG LEU 32 HG LEU 32 -11.293 -4.835 -0.509 237 HD11 LEU 32 HD11 LEU 32 -9.144 -4.922 -1.138 238 HD12 LEU 32 HD12 LEU 32 -8.598 -3.968 0.242 239 HD13 LEU 32 HD13 LEU 32 -8.889 -5.697 0.426 240 HD21 LEU 32 HD21 LEU 32 -11.216 -6.338 1.280 241 HD22 LEU 32 HD22 LEU 32 -10.278 -5.234 2.285 242 HD23 LEU 32 HD23 LEU 32 -11.977 -4.898 1.955 243 H VAL 33 H VAL 33 -13.085 -0.514 -1.613 244 HA VAL 33 HA VAL 33 -11.483 1.757 -1.019 245 HB VAL 33 HB VAL 33 -14.001 2.763 -1.598 246 HG11 VAL 33 HG11 VAL 33 -11.818 2.020 -3.538 247 HG12 VAL 33 HG12 VAL 33 -13.067 3.240 -3.784 248 HG13 VAL 33 HG13 VAL 33 -11.844 3.469 -2.534 249 HG21 VAL 33 HG21 VAL 33 -13.777 0.004 -2.602 250 HG22 VAL 33 HG22 VAL 33 -15.206 0.999 -2.321 251 HG23 VAL 33 HG23 VAL 33 -14.264 1.208 -3.799 252 H SER 34 H SER 34 -11.295 2.693 0.875 253 HA SER 34 HA SER 34 -13.424 2.456 2.858 254 HB2 SER 34 HB2 SER 34 -10.915 3.925 3.475 255 HB3 SER 34 HB3 SER 34 -11.811 2.762 4.457 256 HG SER 34 HG SER 34 -10.968 1.337 2.496 257 H TYR 35 H TYR 35 -14.909 3.832 1.849 258 HA TYR 35 HA TYR 35 -14.391 6.301 0.730 259 HB2 TYR 35 HB2 TYR 35 -17.036 6.207 1.957 260 HB3 TYR 35 HB3 TYR 35 -16.565 6.349 0.278 261 HD1 TYR 35 HD1 TYR 35 -16.145 4.311 -1.084 262 HD2 TYR 35 HD2 TYR 35 -17.677 4.100 2.878 263 HE1 TYR 35 HE1 TYR 35 -16.867 1.996 -1.494 264 HE2 TYR 35 HE2 TYR 35 -18.405 1.785 2.481 265 HH TYR 35 HH TYR 35 -17.696 -0.131 0.905 266 HA PRO 36 HA PRO 36 -15.601 8.511 4.859 267 HB2 PRO 36 HB2 PRO 36 -15.270 7.114 7.171 268 HB3 PRO 36 HB3 PRO 36 -16.800 7.201 6.292 269 HG2 PRO 36 HG2 PRO 36 -14.730 5.040 6.283 270 HG3 PRO 36 HG3 PRO 36 -16.496 4.900 6.350 271 HD2 PRO 36 HD2 PRO 36 -15.107 4.524 4.071 272 HD3 PRO 36 HD3 PRO 36 -16.734 5.230 4.080 273 H LYS 37 H LYS 37 -12.914 6.999 3.879 274 HA LYS 37 HA LYS 37 -11.214 8.630 5.635 275 HB2 LYS 37 HB2 LYS 37 -10.658 5.809 4.723 276 HB3 LYS 37 HB3 LYS 37 -9.467 6.848 5.487 277 HG2 LYS 37 HG2 LYS 37 -11.462 6.972 7.303 278 HG3 LYS 37 HG3 LYS 37 -11.705 5.347 6.658 279 HD2 LYS 37 HD2 LYS 37 -8.982 5.451 6.990 280 HD3 LYS 37 HD3 LYS 37 -9.573 6.389 8.363 281 HE2 LYS 37 HE2 LYS 37 -10.821 4.586 9.198 282 HE3 LYS 37 HE3 LYS 37 -10.730 3.707 7.674 283 HZ1 LYS 37 HZ1 LYS 37 -8.231 3.653 8.122 284 HZ2 LYS 37 HZ2 LYS 37 -9.218 2.631 9.047 285 HZ3 LYS 37 HZ3 LYS 37 -8.628 4.074 9.717 286 H GLY 38 H GLY 38 -12.276 7.974 2.565 287 HA2 GLY 38 HA3 GLY 38 -11.615 8.694 0.490 288 HA3 GLY 38 HA2 GLY 38 -10.450 9.719 1.309 289 H THR 39 H THR 39 -10.381 6.290 1.815 290 HA THR 39 HA THR 39 -7.832 6.224 0.349 291 HB THR 39 HB THR 39 -8.432 4.172 2.398 292 HG1 THR 39 HG1 THR 39 -8.376 6.881 2.916 293 HG21 THR 39 HG21 THR 39 -5.886 5.388 2.661 294 HG22 THR 39 HG22 THR 39 -6.188 5.132 0.942 295 HG23 THR 39 HG23 THR 39 -6.274 3.775 2.065 296 H ALA 40 H ALA 40 -7.358 4.540 -0.975 297 HA ALA 40 HA ALA 40 -9.534 2.632 -1.508 298 HB1 ALA 40 HB1 ALA 40 -8.910 4.327 -3.327 299 HB2 ALA 40 HB2 ALA 40 -7.432 3.383 -3.518 300 HB3 ALA 40 HB3 ALA 40 -9.001 2.627 -3.789 301 H GLN 41 H GLN 41 -8.949 0.899 -0.316 302 HA GLN 41 HA GLN 41 -6.218 -0.095 -0.368 303 HB2 GLN 41 HB2 GLN 41 -8.653 -0.608 1.186 304 HB3 GLN 41 HB3 GLN 41 -7.788 -2.077 0.755 305 HG2 GLN 41 HG2 GLN 41 -5.920 -0.142 1.699 306 HG3 GLN 41 HG3 GLN 41 -7.249 -0.277 2.850 307 HE21 GLN 41 HE21 GLN 41 -7.842 -2.513 3.490 308 HE22 GLN 41 HE22 GLN 41 -6.561 -3.667 3.668 309 H LEU 42 H LEU 42 -5.517 -1.685 -1.751 310 HA LEU 42 HA LEU 42 -7.589 -2.964 -3.379 311 HB2 LEU 42 HB2 LEU 42 -5.371 -1.226 -4.275 312 HB3 LEU 42 HB3 LEU 42 -5.702 -2.650 -5.247 313 HG LEU 42 HG LEU 42 -8.125 -1.171 -4.587 314 HD11 LEU 42 HD11 LEU 42 -7.536 0.905 -5.066 315 HD12 LEU 42 HD12 LEU 42 -5.856 0.394 -5.226 316 HD13 LEU 42 HD13 LEU 42 -6.919 0.380 -6.632 317 HD21 LEU 42 HD21 LEU 42 -7.975 -1.223 -7.266 318 HD22 LEU 42 HD22 LEU 42 -6.856 -2.529 -6.877 319 HD23 LEU 42 HD23 LEU 42 -8.519 -2.591 -6.296 320 H ALA 43 H ALA 43 -7.386 -5.038 -3.570 321 HA ALA 43 HA ALA 43 -4.844 -6.328 -2.920 322 HB1 ALA 43 HB1 ALA 43 -6.604 -7.328 -1.705 323 HB2 ALA 43 HB2 ALA 43 -7.673 -7.343 -3.108 324 HB3 ALA 43 HB3 ALA 43 -6.286 -8.433 -3.043 325 H ILE 44 H ILE 44 -3.851 -5.678 -4.832 326 HA ILE 44 HA ILE 44 -4.968 -6.681 -7.351 327 HB ILE 44 HB ILE 44 -2.917 -5.321 -8.264 328 HG12 ILE 44 HG12 ILE 44 -3.377 -3.510 -5.969 329 HG13 ILE 44 HG13 ILE 44 -2.405 -4.939 -5.629 330 HG21 ILE 44 HG21 ILE 44 -5.386 -4.875 -8.518 331 HG22 ILE 44 HG22 ILE 44 -5.243 -3.792 -7.134 332 HG23 ILE 44 HG23 ILE 44 -4.334 -3.461 -8.608 333 HD11 ILE 44 HD11 ILE 44 -0.817 -3.381 -6.210 334 HD12 ILE 44 HD12 ILE 44 -1.081 -4.223 -7.737 335 HD13 ILE 44 HD13 ILE 44 -1.834 -2.654 -7.455 336 H VAL 45 H VAL 45 -3.289 -7.443 -8.955 337 HA VAL 45 HA VAL 45 -1.786 -9.603 -7.848 338 HB VAL 45 HB VAL 45 -1.932 -8.502 -10.638 339 HG11 VAL 45 HG11 VAL 45 -0.821 -11.199 -10.018 340 HG12 VAL 45 HG12 VAL 45 -0.581 -10.190 -11.444 341 HG13 VAL 45 HG13 VAL 45 0.221 -9.780 -9.928 342 HG21 VAL 45 HG21 VAL 45 -3.393 -10.589 -9.134 343 HG22 VAL 45 HG22 VAL 45 -3.966 -9.475 -10.375 344 HG23 VAL 45 HG23 VAL 45 -3.042 -10.904 -10.833 345 HA PRO 46 HA PRO 46 1.847 -7.227 -6.794 346 HB2 PRO 46 HB2 PRO 46 3.508 -9.477 -6.773 347 HB3 PRO 46 HB3 PRO 46 2.611 -8.837 -5.394 348 HG2 PRO 46 HG2 PRO 46 1.926 -11.089 -7.220 349 HG3 PRO 46 HG3 PRO 46 1.636 -10.921 -5.478 350 HD2 PRO 46 HD2 PRO 46 -0.340 -10.602 -7.258 351 HD3 PRO 46 HD3 PRO 46 -0.247 -9.604 -5.791 352 H GLY 47 H GLY 47 2.406 -6.055 -8.530 353 HA2 GLY 47 HA3 GLY 47 4.489 -6.320 -10.110 354 HA3 GLY 47 HA2 GLY 47 3.360 -7.378 -10.950 355 H THR 48 H THR 48 1.029 -5.789 -10.265 356 HA THR 48 HA THR 48 1.126 -3.892 -12.393 357 HB THR 48 HB THR 48 -1.038 -3.893 -10.315 358 HG1 THR 48 HG1 THR 48 -0.267 -6.009 -11.913 359 HG21 THR 48 HG21 THR 48 -1.774 -3.940 -13.126 360 HG22 THR 48 HG22 THR 48 -0.680 -2.609 -12.748 361 HG23 THR 48 HG23 THR 48 -2.202 -2.776 -11.872 362 H SER 49 H SER 49 1.914 -1.944 -12.327 363 HA SER 49 HA SER 49 2.867 -0.814 -9.923 364 HB2 SER 49 HB2 SER 49 2.615 1.011 -12.208 365 HB3 SER 49 HB3 SER 49 4.055 0.529 -11.307 366 HG SER 49 HG SER 49 4.323 -1.199 -12.601 367 HA PRO 50 HA PRO 50 -0.775 1.250 -8.509 368 HB2 PRO 50 HB2 PRO 50 0.409 3.338 -7.168 369 HB3 PRO 50 HB3 PRO 50 0.253 1.705 -6.510 370 HG2 PRO 50 HG2 PRO 50 2.601 2.999 -7.845 371 HG3 PRO 50 HG3 PRO 50 2.559 1.945 -6.419 372 HD2 PRO 50 HD2 PRO 50 3.289 1.018 -8.830 373 HD3 PRO 50 HD3 PRO 50 2.362 0.015 -7.692 374 H ASP 51 H ASP 51 1.631 2.828 -10.400 375 HA ASP 51 HA ASP 51 0.329 5.257 -10.963 376 HB2 ASP 51 HB2 ASP 51 2.544 5.225 -11.668 377 HB3 ASP 51 HB3 ASP 51 2.425 3.593 -12.313 378 H ALA 52 H ALA 52 -0.111 2.003 -12.138 379 HA ALA 52 HA ALA 52 -1.576 2.764 -14.492 380 HB1 ALA 52 HB1 ALA 52 -0.812 0.720 -14.978 381 HB2 ALA 52 HB2 ALA 52 -0.632 0.281 -13.280 382 HB3 ALA 52 HB3 ALA 52 -2.204 0.134 -14.067 383 H LEU 53 H LEU 53 -2.348 1.743 -11.238 384 HA LEU 53 HA LEU 53 -5.160 1.518 -11.662 385 HB2 LEU 53 HB2 LEU 53 -3.505 1.807 -9.173 386 HB3 LEU 53 HB3 LEU 53 -5.242 1.591 -9.149 387 HG LEU 53 HG LEU 53 -4.230 -0.495 -10.743 388 HD11 LEU 53 HD11 LEU 53 -2.101 0.318 -9.323 389 HD12 LEU 53 HD12 LEU 53 -2.842 -0.782 -8.160 390 HD13 LEU 53 HD13 LEU 53 -2.395 -1.364 -9.763 391 HD21 LEU 53 HD21 LEU 53 -5.585 -1.699 -9.430 392 HD22 LEU 53 HD22 LEU 53 -4.823 -1.121 -7.948 393 HD23 LEU 53 HD23 LEU 53 -6.050 -0.140 -8.750 394 H THR 54 H THR 54 -3.025 3.946 -10.250 395 HA THR 54 HA THR 54 -4.890 5.934 -9.697 396 HB THR 54 HB THR 54 -2.024 6.224 -10.624 397 HG1 THR 54 HG1 THR 54 -1.936 5.147 -8.735 398 HG21 THR 54 HG21 THR 54 -2.958 8.279 -8.839 399 HG22 THR 54 HG22 THR 54 -3.948 8.229 -10.297 400 HG23 THR 54 HG23 THR 54 -2.200 8.436 -10.423 401 H ALA 55 H ALA 55 -3.106 5.182 -12.665 402 HA ALA 55 HA ALA 55 -4.124 7.297 -14.245 403 HB1 ALA 55 HB1 ALA 55 -2.261 5.268 -14.590 404 HB2 ALA 55 HB2 ALA 55 -3.507 4.938 -15.794 405 HB3 ALA 55 HB3 ALA 55 -2.706 6.508 -15.761 406 H ALA 56 H ALA 56 -5.275 4.036 -13.583 407 HA ALA 56 HA ALA 56 -7.326 3.974 -15.523 408 HB1 ALA 56 HB1 ALA 56 -6.590 1.945 -14.413 409 HB2 ALA 56 HB2 ALA 56 -7.159 2.560 -12.861 410 HB3 ALA 56 HB3 ALA 56 -8.315 2.189 -14.139 411 H VAL 57 H VAL 57 -7.274 5.029 -12.150 412 HA VAL 57 HA VAL 57 -10.005 5.791 -12.043 413 HB VAL 57 HB VAL 57 -7.713 6.833 -10.363 414 HG11 VAL 57 HG11 VAL 57 -9.794 8.192 -10.300 415 HG12 VAL 57 HG12 VAL 57 -10.664 6.761 -9.744 416 HG13 VAL 57 HG13 VAL 57 -9.385 7.457 -8.748 417 HG21 VAL 57 HG21 VAL 57 -8.965 5.100 -8.750 418 HG22 VAL 57 HG22 VAL 57 -9.259 4.314 -10.301 419 HG23 VAL 57 HG23 VAL 57 -7.608 4.646 -9.780 420 H ALA 58 H ALA 58 -7.014 7.416 -12.931 421 HA ALA 58 HA ALA 58 -8.082 10.015 -13.251 422 HB1 ALA 58 HB1 ALA 58 -5.819 8.817 -14.841 423 HB2 ALA 58 HB2 ALA 58 -6.097 10.520 -14.476 424 HB3 ALA 58 HB3 ALA 58 -5.645 9.404 -13.186 425 H GLY 59 H GLY 59 -7.584 7.356 -15.552 426 HA2 GLY 59 HA3 GLY 59 -8.825 8.677 -17.750 427 HA3 GLY 59 HA2 GLY 59 -8.454 6.963 -17.641 428 H LEU 60 H LEU 60 -10.094 7.106 -14.991 429 HA LEU 60 HA LEU 60 -12.618 6.370 -16.116 430 HB2 LEU 60 HB2 LEU 60 -11.362 6.426 -13.488 431 HB3 LEU 60 HB3 LEU 60 -13.051 6.882 -13.428 432 HG LEU 60 HG LEU 60 -13.785 4.783 -13.888 433 HD11 LEU 60 HD11 LEU 60 -11.267 4.176 -15.432 434 HD12 LEU 60 HD12 LEU 60 -12.724 3.187 -15.344 435 HD13 LEU 60 HD13 LEU 60 -12.772 4.757 -16.147 436 HD21 LEU 60 HD21 LEU 60 -12.435 3.123 -12.790 437 HD22 LEU 60 HD22 LEU 60 -10.988 4.112 -12.990 438 HD23 LEU 60 HD23 LEU 60 -12.283 4.652 -11.923 439 H GLY 61 H GLY 61 -11.203 9.347 -15.498 440 HA2 GLY 61 HA3 GLY 61 -12.278 11.399 -16.057 441 HA3 GLY 61 HA2 GLY 61 -13.822 10.678 -15.615 442 H TYR 62 H TYR 62 -11.416 9.881 -13.447 443 HA TYR 62 HA TYR 62 -12.164 12.075 -11.635 444 HB2 TYR 62 HB2 TYR 62 -11.593 9.174 -10.949 445 HB3 TYR 62 HB3 TYR 62 -11.852 10.452 -9.768 446 HD1 TYR 62 HD1 TYR 62 -13.488 8.516 -12.469 447 HD2 TYR 62 HD2 TYR 62 -14.033 11.101 -9.134 448 HE1 TYR 62 HE1 TYR 62 -15.906 8.071 -12.529 449 HE2 TYR 62 HE2 TYR 62 -16.451 10.664 -9.185 450 HH TYR 62 HH TYR 62 -18.156 9.922 -10.688 451 H LYS 63 H LYS 63 -10.259 11.007 -9.661 452 HA LYS 63 HA LYS 63 -7.682 11.013 -10.947 453 HB2 LYS 63 HB2 LYS 63 -8.135 13.416 -10.811 454 HB3 LYS 63 HB3 LYS 63 -8.474 13.271 -9.093 455 HG2 LYS 63 HG2 LYS 63 -6.258 14.201 -9.507 456 HG3 LYS 63 HG3 LYS 63 -6.163 12.652 -8.666 457 HD2 LYS 63 HD2 LYS 63 -5.487 11.522 -10.647 458 HD3 LYS 63 HD3 LYS 63 -5.884 12.914 -11.657 459 HE2 LYS 63 HE2 LYS 63 -3.752 13.522 -11.485 460 HE3 LYS 63 HE3 LYS 63 -4.079 13.902 -9.795 461 HZ1 LYS 63 HZ1 LYS 63 -2.919 11.424 -10.927 462 HZ2 LYS 63 HZ2 LYS 63 -3.553 11.478 -9.353 463 HZ3 LYS 63 HZ3 LYS 63 -2.245 12.470 -9.776 464 H ALA 64 H ALA 64 -6.274 9.847 -9.781 465 HA ALA 64 HA ALA 64 -6.904 9.369 -6.943 466 HB1 ALA 64 HB1 ALA 64 -6.886 7.185 -7.370 467 HB2 ALA 64 HB2 ALA 64 -6.502 7.492 -9.063 468 HB3 ALA 64 HB3 ALA 64 -5.204 7.316 -7.882 469 H THR 65 H THR 65 -4.931 8.802 -5.662 470 HA THR 65 HA THR 65 -2.504 10.092 -6.690 471 HB THR 65 HB THR 65 -2.612 10.636 -3.916 472 HG1 THR 65 HG1 THR 65 -4.999 11.413 -5.289 473 HG21 THR 65 HG21 THR 65 -2.113 11.977 -6.357 474 HG22 THR 65 HG22 THR 65 -1.719 12.506 -4.721 475 HG23 THR 65 HG23 THR 65 -3.264 12.955 -5.445 476 H LEU 66 H LEU 66 -0.822 8.763 -6.500 477 HA LEU 66 HA LEU 66 -1.039 6.348 -4.955 478 HB2 LEU 66 HB2 LEU 66 1.578 6.427 -5.683 479 HB3 LEU 66 HB3 LEU 66 0.289 5.762 -6.667 480 HG LEU 66 HG LEU 66 0.355 8.504 -7.271 481 HD11 LEU 66 HD11 LEU 66 2.999 7.471 -6.555 482 HD12 LEU 66 HD12 LEU 66 2.908 8.202 -8.157 483 HD13 LEU 66 HD13 LEU 66 2.436 9.132 -6.735 484 HD21 LEU 66 HD21 LEU 66 -0.046 7.426 -9.174 485 HD22 LEU 66 HD22 LEU 66 1.694 7.168 -9.301 486 HD23 LEU 66 HD23 LEU 66 0.673 5.935 -8.562 487 H ALA 67 H ALA 67 -0.531 6.103 -2.909 488 HA ALA 67 HA ALA 67 1.688 7.504 -1.709 489 HB1 ALA 67 HB1 ALA 67 0.608 8.946 -0.351 490 HB2 ALA 67 HB2 ALA 67 -0.676 8.828 -1.557 491 HB3 ALA 67 HB3 ALA 67 -0.747 7.847 -0.093 492 H ASP 68 H ASP 68 2.004 5.069 -1.953 493 HA ASP 68 HA ASP 68 0.615 3.165 -0.496 494 HB2 ASP 68 HB2 ASP 68 2.412 2.787 -2.222 495 HB3 ASP 68 HB3 ASP 68 3.578 3.111 -0.948 496 H ALA 69 H ALA 69 0.876 2.201 1.488 497 HA ALA 69 HA ALA 69 1.173 2.076 3.722 498 HB1 ALA 69 HB1 ALA 69 3.462 1.723 3.458 499 HB2 ALA 69 HB2 ALA 69 3.754 3.382 2.934 500 HB3 ALA 69 HB3 ALA 69 3.370 3.044 4.623 Start of MODEL 8 1 H1 MET 1 H1 MET 1 3.567 0.298 -2.217 2 H2 MET 1 H2 MET 1 4.173 0.881 -0.747 3 H3 MET 1 H3 MET 1 2.757 1.548 -1.398 4 HA MET 1 HA MET 1 2.955 -1.309 -0.690 5 HB2 MET 1 HB2 MET 1 2.584 1.041 1.081 6 HB3 MET 1 HB3 MET 1 1.493 -0.314 1.343 7 HG2 MET 1 HG2 MET 1 3.342 -0.586 2.799 8 HG3 MET 1 HG3 MET 1 3.489 -1.794 1.523 9 HE1 MET 1 HE1 MET 1 4.358 1.930 2.206 10 HE2 MET 1 HE2 MET 1 5.304 1.070 3.419 11 HE3 MET 1 HE3 MET 1 6.116 1.930 2.108 12 H THR 2 H THR 2 1.571 0.918 -2.537 13 HA THR 2 HA THR 2 -0.336 1.027 -3.720 14 HB THR 2 HB THR 2 -1.271 -1.650 -2.825 15 HG1 THR 2 HG1 THR 2 0.773 -1.654 -4.724 16 HG21 THR 2 HG21 THR 2 -1.353 -1.799 -5.421 17 HG22 THR 2 HG22 THR 2 -1.146 -0.048 -5.351 18 HG23 THR 2 HG23 THR 2 -2.538 -0.806 -4.576 19 H HIS 3 H HIS 3 -0.795 2.526 -1.657 20 HA HIS 3 HA HIS 3 -3.604 1.839 -1.057 21 HB2 HIS 3 HB2 HIS 3 -1.619 3.389 0.613 22 HB3 HIS 3 HB3 HIS 3 -3.353 3.540 0.846 23 HD1 HIS 3 HD1 HIS 3 -2.526 0.101 0.038 24 HD2 HIS 3 HD2 HIS 3 -2.545 2.457 3.463 25 HE1 HIS 3 HE1 HIS 3 -2.447 -1.506 1.968 26 HE2 HIS 3 HE2 HIS 3 -2.235 -0.049 4.015 27 H LEU 4 H LEU 4 -4.552 2.815 -2.763 28 HA LEU 4 HA LEU 4 -3.566 5.339 -3.760 29 HB2 LEU 4 HB2 LEU 4 -5.823 3.552 -4.603 30 HB3 LEU 4 HB3 LEU 4 -5.505 5.089 -5.370 31 HG LEU 4 HG LEU 4 -4.463 3.650 -6.819 32 HD11 LEU 4 HD11 LEU 4 -2.433 4.530 -6.804 33 HD12 LEU 4 HD12 LEU 4 -2.787 5.170 -5.200 34 HD13 LEU 4 HD13 LEU 4 -1.979 3.611 -5.368 35 HD21 LEU 4 HD21 LEU 4 -4.867 1.701 -5.159 36 HD22 LEU 4 HD22 LEU 4 -3.583 1.564 -6.359 37 HD23 LEU 4 HD23 LEU 4 -3.189 1.980 -4.692 38 H LYS 5 H LYS 5 -4.223 7.256 -3.036 39 HA LYS 5 HA LYS 5 -6.619 7.411 -1.410 40 HB2 LYS 5 HB2 LYS 5 -5.967 9.656 -0.889 41 HB3 LYS 5 HB3 LYS 5 -4.525 8.657 -0.809 42 HG2 LYS 5 HG2 LYS 5 -3.529 10.118 -2.140 43 HG3 LYS 5 HG3 LYS 5 -4.613 9.603 -3.433 44 HD2 LYS 5 HD2 LYS 5 -5.783 11.510 -3.350 45 HD3 LYS 5 HD3 LYS 5 -5.859 11.483 -1.588 46 HE2 LYS 5 HE2 LYS 5 -3.264 12.159 -2.869 47 HE3 LYS 5 HE3 LYS 5 -4.547 13.368 -2.908 48 HZ1 LYS 5 HZ1 LYS 5 -4.675 13.328 -0.531 49 HZ2 LYS 5 HZ2 LYS 5 -3.054 13.568 -0.971 50 HZ3 LYS 5 HZ3 LYS 5 -3.571 12.044 -0.433 51 H ILE 6 H ILE 6 -8.520 8.386 -2.001 52 HA ILE 6 HA ILE 6 -8.758 8.893 -4.873 53 HB ILE 6 HB ILE 6 -10.260 7.224 -3.529 54 HG12 ILE 6 HG12 ILE 6 -12.239 8.037 -5.078 55 HG13 ILE 6 HG13 ILE 6 -11.004 9.122 -5.708 56 HG21 ILE 6 HG21 ILE 6 -11.466 8.163 -1.911 57 HG22 ILE 6 HG22 ILE 6 -11.166 9.793 -2.515 58 HG23 ILE 6 HG23 ILE 6 -12.471 8.825 -3.201 59 HD11 ILE 6 HD11 ILE 6 -9.591 6.954 -5.930 60 HD12 ILE 6 HD12 ILE 6 -11.159 6.151 -5.845 61 HD13 ILE 6 HD13 ILE 6 -10.837 7.322 -7.124 62 H THR 7 H THR 7 -9.495 10.769 -5.702 63 HA THR 7 HA THR 7 -10.165 12.935 -3.831 64 HB THR 7 HB THR 7 -8.816 14.190 -5.925 65 HG1 THR 7 HG1 THR 7 -7.930 11.661 -5.622 66 HG21 THR 7 HG21 THR 7 -8.879 14.566 -3.364 67 HG22 THR 7 HG22 THR 7 -7.404 14.984 -4.237 68 HG23 THR 7 HG23 THR 7 -7.495 13.476 -3.326 69 H GLY 8 H GLY 8 -10.879 11.175 -6.601 70 HA2 GLY 8 HA3 GLY 8 -12.424 13.229 -7.933 71 HA3 GLY 8 HA2 GLY 8 -12.362 11.522 -8.360 72 H MET 9 H MET 9 -13.278 13.410 -5.537 73 HA MET 9 HA MET 9 -15.162 13.539 -4.282 74 HB2 MET 9 HB2 MET 9 -16.219 12.482 -6.733 75 HB3 MET 9 HB3 MET 9 -16.990 11.680 -5.371 76 HG2 MET 9 HG2 MET 9 -17.528 13.894 -4.419 77 HG3 MET 9 HG3 MET 9 -16.850 14.647 -5.861 78 HE1 MET 9 HE1 MET 9 -17.900 14.716 -8.137 79 HE2 MET 9 HE2 MET 9 -17.832 12.962 -8.315 80 HE3 MET 9 HE3 MET 9 -19.334 13.825 -8.645 81 H THR 10 H THR 10 -15.350 12.607 -2.380 82 HA THR 10 HA THR 10 -14.016 10.049 -2.057 83 HB THR 10 HB THR 10 -14.817 11.045 0.453 84 HG1 THR 10 HG1 THR 10 -14.591 13.178 0.349 85 HG21 THR 10 HG21 THR 10 -12.308 11.769 0.439 86 HG22 THR 10 HG22 THR 10 -12.273 10.931 -1.112 87 HG23 THR 10 HG23 THR 10 -12.728 10.058 0.352 88 H CYS 11 H CYS 11 -17.221 11.281 -2.006 89 HA CYS 11 HA CYS 11 -18.476 9.643 -0.151 90 HB2 CYS 11 HB2 CYS 11 -20.075 10.208 -2.516 91 HB3 CYS 11 HB3 CYS 11 -20.342 10.663 -0.839 92 H ASP 12 H ASP 12 -20.050 7.981 -0.513 93 HA ASP 12 HA ASP 12 -18.796 5.628 -1.183 94 HB2 ASP 12 HB2 ASP 12 -21.201 4.682 -1.096 95 HB3 ASP 12 HB3 ASP 12 -20.545 5.453 0.344 96 H SER 13 H SER 13 -21.477 7.106 -3.046 97 HA SER 13 HA SER 13 -21.739 5.127 -4.935 98 HB2 SER 13 HB2 SER 13 -22.101 7.890 -5.926 99 HB3 SER 13 HB3 SER 13 -23.233 6.536 -5.912 100 HG SER 13 HG SER 13 -23.855 7.029 -3.906 101 H CYS 14 H CYS 14 -19.645 7.982 -5.132 102 HA CYS 14 HA CYS 14 -18.582 7.314 -7.678 103 HB2 CYS 14 HB2 CYS 14 -17.033 8.994 -5.764 104 HB3 CYS 14 HB3 CYS 14 -17.361 9.249 -7.476 105 H ALA 15 H ALA 15 -17.302 7.023 -4.363 106 HA ALA 15 HA ALA 15 -15.005 5.516 -5.188 107 HB1 ALA 15 HB1 ALA 15 -15.022 5.063 -2.578 108 HB2 ALA 15 HB2 ALA 15 -14.535 6.621 -3.244 109 HB3 ALA 15 HB3 ALA 15 -16.162 6.408 -2.597 110 H ALA 16 H ALA 16 -17.076 4.269 -6.318 111 HA ALA 16 HA ALA 16 -16.899 1.610 -5.242 112 HB1 ALA 16 HB1 ALA 16 -18.730 2.094 -3.889 113 HB2 ALA 16 HB2 ALA 16 -19.466 3.154 -5.092 114 HB3 ALA 16 HB3 ALA 16 -19.485 1.406 -5.326 115 H HIS 17 H HIS 17 -18.577 3.792 -7.506 116 HA HIS 17 HA HIS 17 -18.736 1.887 -9.597 117 HB2 HIS 17 HB2 HIS 17 -19.735 4.386 -9.281 118 HB3 HIS 17 HB3 HIS 17 -18.383 4.717 -10.360 119 HD1 HIS 17 HD1 HIS 17 -21.816 4.105 -10.565 120 HD2 HIS 17 HD2 HIS 17 -18.525 2.578 -12.600 121 HE1 HIS 17 HE1 HIS 17 -22.721 3.178 -12.718 122 HE2 HIS 17 HE2 HIS 17 -20.740 2.112 -13.855 123 H VAL 18 H VAL 18 -16.327 4.230 -8.607 124 HA VAL 18 HA VAL 18 -14.427 3.761 -10.626 125 HB VAL 18 HB VAL 18 -14.032 4.530 -7.722 126 HG11 VAL 18 HG11 VAL 18 -12.066 4.425 -9.999 127 HG12 VAL 18 HG12 VAL 18 -11.805 5.390 -8.545 128 HG13 VAL 18 HG13 VAL 18 -11.954 3.635 -8.426 129 HG21 VAL 18 HG21 VAL 18 -13.932 6.238 -10.205 130 HG22 VAL 18 HG22 VAL 18 -15.330 6.108 -9.136 131 HG23 VAL 18 HG23 VAL 18 -13.817 6.782 -8.531 132 H LYS 19 H LYS 19 -15.128 2.166 -7.563 133 HA LYS 19 HA LYS 19 -13.059 0.264 -7.589 134 HB2 LYS 19 HB2 LYS 19 -14.042 0.128 -5.548 135 HB3 LYS 19 HB3 LYS 19 -15.589 0.687 -6.156 136 HG2 LYS 19 HG2 LYS 19 -16.381 -1.396 -6.415 137 HG3 LYS 19 HG3 LYS 19 -14.818 -2.062 -6.885 138 HD2 LYS 19 HD2 LYS 19 -14.085 -2.109 -4.603 139 HD3 LYS 19 HD3 LYS 19 -15.519 -1.228 -4.075 140 HE2 LYS 19 HE2 LYS 19 -16.585 -3.145 -3.779 141 HE3 LYS 19 HE3 LYS 19 -16.388 -3.521 -5.492 142 HZ1 LYS 19 HZ1 LYS 19 -15.364 -5.001 -3.525 143 HZ2 LYS 19 HZ2 LYS 19 -14.056 -3.968 -3.825 144 HZ3 LYS 19 HZ3 LYS 19 -14.687 -4.917 -5.080 145 H GLU 20 H GLU 20 -16.288 0.294 -9.027 146 HA GLU 20 HA GLU 20 -16.336 -2.332 -9.999 147 HB2 GLU 20 HB2 GLU 20 -17.631 0.220 -10.912 148 HB3 GLU 20 HB3 GLU 20 -17.834 -1.266 -11.829 149 HG2 GLU 20 HG2 GLU 20 -18.826 -2.352 -9.913 150 HG3 GLU 20 HG3 GLU 20 -18.550 -0.914 -8.929 151 H ALA 21 H ALA 21 -15.308 0.674 -11.625 152 HA ALA 21 HA ALA 21 -14.433 -0.578 -13.994 153 HB1 ALA 21 HB1 ALA 21 -13.445 1.486 -14.574 154 HB2 ALA 21 HB2 ALA 21 -14.878 1.886 -13.627 155 HB3 ALA 21 HB3 ALA 21 -13.282 1.967 -12.885 156 H LEU 22 H LEU 22 -12.816 0.111 -10.956 157 HA LEU 22 HA LEU 22 -10.209 -0.659 -11.727 158 HB2 LEU 22 HB2 LEU 22 -11.640 -0.401 -9.107 159 HB3 LEU 22 HB3 LEU 22 -10.024 -1.073 -9.166 160 HG LEU 22 HG LEU 22 -10.754 1.656 -10.230 161 HD11 LEU 22 HD11 LEU 22 -10.534 0.821 -7.549 162 HD12 LEU 22 HD12 LEU 22 -9.068 1.724 -7.926 163 HD13 LEU 22 HD13 LEU 22 -10.649 2.467 -8.171 164 HD21 LEU 22 HD21 LEU 22 -8.130 0.251 -9.781 165 HD22 LEU 22 HD22 LEU 22 -8.806 0.815 -11.310 166 HD23 LEU 22 HD23 LEU 22 -8.279 1.981 -10.097 167 H GLU 23 H GLU 23 -12.754 -2.481 -9.987 168 HA GLU 23 HA GLU 23 -11.226 -4.881 -9.951 169 HB2 GLU 23 HB2 GLU 23 -13.762 -3.953 -8.907 170 HB3 GLU 23 HB3 GLU 23 -13.894 -5.586 -9.551 171 HG2 GLU 23 HG2 GLU 23 -12.193 -6.383 -8.125 172 HG3 GLU 23 HG3 GLU 23 -11.733 -4.758 -7.643 173 H LYS 24 H LYS 24 -13.108 -3.383 -12.345 174 HA LYS 24 HA LYS 24 -13.768 -5.737 -13.819 175 HB2 LYS 24 HB2 LYS 24 -14.918 -4.271 -15.058 176 HB3 LYS 24 HB3 LYS 24 -14.295 -2.984 -14.040 177 HG2 LYS 24 HG2 LYS 24 -12.914 -2.222 -15.632 178 HG3 LYS 24 HG3 LYS 24 -12.476 -3.842 -16.176 179 HD2 LYS 24 HD2 LYS 24 -14.270 -3.987 -17.622 180 HD3 LYS 24 HD3 LYS 24 -15.215 -2.794 -16.729 181 HE2 LYS 24 HE2 LYS 24 -13.890 -1.002 -17.571 182 HE3 LYS 24 HE3 LYS 24 -12.714 -2.120 -18.259 183 HZ1 LYS 24 HZ1 LYS 24 -15.523 -2.219 -19.126 184 HZ2 LYS 24 HZ2 LYS 24 -14.128 -2.703 -19.959 185 HZ3 LYS 24 HZ3 LYS 24 -14.480 -1.051 -19.780 186 H VAL 25 H VAL 25 -10.932 -3.811 -13.399 187 HA VAL 25 HA VAL 25 -9.494 -4.803 -15.666 188 HB VAL 25 HB VAL 25 -8.417 -3.656 -13.075 189 HG11 VAL 25 HG11 VAL 25 -6.433 -4.239 -13.894 190 HG12 VAL 25 HG12 VAL 25 -7.127 -4.701 -15.448 191 HG13 VAL 25 HG13 VAL 25 -6.686 -3.021 -15.142 192 HG21 VAL 25 HG21 VAL 25 -8.302 -1.525 -14.227 193 HG22 VAL 25 HG22 VAL 25 -8.988 -2.249 -15.681 194 HG23 VAL 25 HG23 VAL 25 -9.962 -2.121 -14.217 195 HA PRO 26 HA PRO 26 -9.064 -8.791 -13.819 196 HB2 PRO 26 HB2 PRO 26 -7.827 -10.037 -15.850 197 HB3 PRO 26 HB3 PRO 26 -9.505 -9.499 -15.979 198 HG2 PRO 26 HG2 PRO 26 -7.019 -8.213 -17.040 199 HG3 PRO 26 HG3 PRO 26 -8.598 -8.410 -17.823 200 HD2 PRO 26 HD2 PRO 26 -7.761 -6.096 -16.599 201 HD3 PRO 26 HD3 PRO 26 -9.462 -6.553 -16.812 202 H GLY 27 H GLY 27 -7.130 -6.893 -12.951 203 HA2 GLY 27 HA3 GLY 27 -4.936 -8.810 -12.472 204 HA3 GLY 27 HA2 GLY 27 -4.601 -7.097 -12.724 205 H VAL 28 H VAL 28 -7.506 -7.348 -11.274 206 HA VAL 28 HA VAL 28 -6.403 -6.558 -8.691 207 HB VAL 28 HB VAL 28 -9.136 -6.242 -9.929 208 HG11 VAL 28 HG11 VAL 28 -9.662 -6.417 -7.668 209 HG12 VAL 28 HG12 VAL 28 -8.157 -5.653 -7.156 210 HG13 VAL 28 HG13 VAL 28 -9.438 -4.681 -7.879 211 HG21 VAL 28 HG21 VAL 28 -8.610 -3.893 -10.003 212 HG22 VAL 28 HG22 VAL 28 -7.083 -4.168 -9.165 213 HG23 VAL 28 HG23 VAL 28 -7.320 -4.796 -10.796 214 H GLN 29 H GLN 29 -6.667 -7.779 -6.884 215 HA GLN 29 HA GLN 29 -8.192 -10.261 -7.117 216 HB2 GLN 29 HB2 GLN 29 -5.871 -9.393 -5.597 217 HB3 GLN 29 HB3 GLN 29 -7.069 -10.163 -4.566 218 HG2 GLN 29 HG2 GLN 29 -6.736 -11.683 -6.967 219 HG3 GLN 29 HG3 GLN 29 -5.169 -11.391 -6.215 220 HE21 GLN 29 HE21 GLN 29 -5.066 -13.637 -5.803 221 HE22 GLN 29 HE22 GLN 29 -5.922 -14.328 -4.454 222 H SER 30 H SER 30 -7.959 -7.384 -5.053 223 HA SER 30 HA SER 30 -10.813 -7.446 -4.627 224 HB2 SER 30 HB2 SER 30 -8.865 -7.882 -2.360 225 HB3 SER 30 HB3 SER 30 -10.487 -7.246 -2.094 226 HG SER 30 HG SER 30 -9.989 -9.663 -3.488 227 H ALA 31 H ALA 31 -11.525 -5.417 -4.740 228 HA ALA 31 HA ALA 31 -9.642 -3.235 -4.121 229 HB1 ALA 31 HB1 ALA 31 -10.374 -2.758 -6.237 230 HB2 ALA 31 HB2 ALA 31 -11.953 -3.501 -5.982 231 HB3 ALA 31 HB3 ALA 31 -11.606 -1.913 -5.300 232 H LEU 32 H LEU 32 -9.835 -2.859 -1.974 233 HA LEU 32 HA LEU 32 -12.529 -2.735 -0.818 234 HB2 LEU 32 HB2 LEU 32 -9.933 -2.607 0.698 235 HB3 LEU 32 HB3 LEU 32 -11.528 -2.993 1.315 236 HG LEU 32 HG LEU 32 -10.280 -4.779 -0.733 237 HD11 LEU 32 HD11 LEU 32 -8.571 -5.273 0.589 238 HD12 LEU 32 HD12 LEU 32 -9.189 -4.232 1.872 239 HD13 LEU 32 HD13 LEU 32 -9.733 -5.905 1.755 240 HD21 LEU 32 HD21 LEU 32 -11.659 -6.051 1.429 241 HD22 LEU 32 HD22 LEU 32 -12.655 -4.753 0.770 242 HD23 LEU 32 HD23 LEU 32 -12.056 -6.030 -0.290 243 H VAL 33 H VAL 33 -13.067 -0.718 -1.724 244 HA VAL 33 HA VAL 33 -11.484 1.611 -1.137 245 HB VAL 33 HB VAL 33 -13.723 2.755 -1.958 246 HG11 VAL 33 HG11 VAL 33 -12.835 1.890 -4.378 247 HG12 VAL 33 HG12 VAL 33 -12.102 3.190 -3.438 248 HG13 VAL 33 HG13 VAL 33 -11.442 1.558 -3.347 249 HG21 VAL 33 HG21 VAL 33 -14.065 -0.128 -2.671 250 HG22 VAL 33 HG22 VAL 33 -15.258 1.037 -2.098 251 HG23 VAL 33 HG23 VAL 33 -14.666 1.126 -3.758 252 H SER 34 H SER 34 -11.724 3.039 0.466 253 HA SER 34 HA SER 34 -14.030 2.709 2.274 254 HB2 SER 34 HB2 SER 34 -11.839 4.133 3.499 255 HB3 SER 34 HB3 SER 34 -12.602 2.625 4.008 256 HG SER 34 HG SER 34 -11.242 1.690 2.221 257 H TYR 35 H TYR 35 -15.391 4.204 1.457 258 HA TYR 35 HA TYR 35 -14.690 6.558 0.163 259 HB2 TYR 35 HB2 TYR 35 -17.285 6.825 1.422 260 HB3 TYR 35 HB3 TYR 35 -16.870 6.688 -0.279 261 HD1 TYR 35 HD1 TYR 35 -16.467 4.331 -1.222 262 HD2 TYR 35 HD2 TYR 35 -18.347 5.045 2.529 263 HE1 TYR 35 HE1 TYR 35 -17.439 2.075 -1.285 264 HE2 TYR 35 HE2 TYR 35 -19.323 2.788 2.475 265 HH TYR 35 HH TYR 35 -18.311 0.387 0.806 266 HA PRO 36 HA PRO 36 -15.563 9.076 4.208 267 HB2 PRO 36 HB2 PRO 36 -15.251 7.736 6.568 268 HB3 PRO 36 HB3 PRO 36 -16.809 7.987 5.773 269 HG2 PRO 36 HG2 PRO 36 -15.036 5.583 5.753 270 HG3 PRO 36 HG3 PRO 36 -16.801 5.674 5.896 271 HD2 PRO 36 HD2 PRO 36 -15.578 5.035 3.580 272 HD3 PRO 36 HD3 PRO 36 -17.096 5.955 3.624 273 H LYS 37 H LYS 37 -13.190 6.551 3.977 274 HA LYS 37 HA LYS 37 -11.197 8.076 5.459 275 HB2 LYS 37 HB2 LYS 37 -11.601 5.364 5.074 276 HB3 LYS 37 HB3 LYS 37 -10.240 5.721 4.019 277 HG2 LYS 37 HG2 LYS 37 -8.847 6.207 5.747 278 HG3 LYS 37 HG3 LYS 37 -10.152 6.794 6.779 279 HD2 LYS 37 HD2 LYS 37 -9.801 3.894 6.056 280 HD3 LYS 37 HD3 LYS 37 -9.083 4.625 7.491 281 HE2 LYS 37 HE2 LYS 37 -12.028 4.742 6.888 282 HE3 LYS 37 HE3 LYS 37 -11.292 3.446 7.830 283 HZ1 LYS 37 HZ1 LYS 37 -10.352 5.340 9.243 284 HZ2 LYS 37 HZ2 LYS 37 -11.997 4.957 9.416 285 HZ3 LYS 37 HZ3 LYS 37 -11.535 6.310 8.504 286 H GLY 38 H GLY 38 -12.277 7.609 2.246 287 HA2 GLY 38 HA3 GLY 38 -11.615 8.595 0.283 288 HA3 GLY 38 HA2 GLY 38 -10.474 9.554 1.217 289 H THR 39 H THR 39 -10.481 6.058 1.274 290 HA THR 39 HA THR 39 -7.981 6.081 -0.275 291 HB THR 39 HB THR 39 -8.117 4.168 1.972 292 HG1 THR 39 HG1 THR 39 -8.515 6.827 2.363 293 HG21 THR 39 HG21 THR 39 -5.848 4.269 1.864 294 HG22 THR 39 HG22 THR 39 -5.832 5.998 1.519 295 HG23 THR 39 HG23 THR 39 -6.198 4.850 0.233 296 H ALA 40 H ALA 40 -7.534 4.269 -1.462 297 HA ALA 40 HA ALA 40 -9.654 2.229 -1.578 298 HB1 ALA 40 HB1 ALA 40 -9.760 3.176 -3.666 299 HB2 ALA 40 HB2 ALA 40 -8.041 3.566 -3.701 300 HB3 ALA 40 HB3 ALA 40 -8.575 1.904 -3.955 301 H GLN 41 H GLN 41 -8.953 0.510 -0.456 302 HA GLN 41 HA GLN 41 -6.187 -0.297 -0.440 303 HB2 GLN 41 HB2 GLN 41 -8.312 -0.729 1.250 304 HB3 GLN 41 HB3 GLN 41 -8.180 -2.276 0.425 305 HG2 GLN 41 HG2 GLN 41 -6.772 -2.664 2.152 306 HG3 GLN 41 HG3 GLN 41 -5.625 -1.960 1.011 307 HE21 GLN 41 HE21 GLN 41 -7.074 -1.707 4.059 308 HE22 GLN 41 HE22 GLN 41 -6.392 -0.183 4.532 309 H LEU 42 H LEU 42 -5.885 -0.491 -2.704 310 HA LEU 42 HA LEU 42 -7.410 -2.482 -4.140 311 HB2 LEU 42 HB2 LEU 42 -5.594 -0.282 -4.814 312 HB3 LEU 42 HB3 LEU 42 -5.389 -1.701 -5.822 313 HG LEU 42 HG LEU 42 -7.560 -1.549 -6.697 314 HD11 LEU 42 HD11 LEU 42 -8.303 0.559 -4.685 315 HD12 LEU 42 HD12 LEU 42 -9.358 -0.311 -5.800 316 HD13 LEU 42 HD13 LEU 42 -8.624 -1.158 -4.440 317 HD21 LEU 42 HD21 LEU 42 -7.491 0.444 -7.816 318 HD22 LEU 42 HD22 LEU 42 -7.071 1.368 -6.373 319 HD23 LEU 42 HD23 LEU 42 -5.848 0.382 -7.178 320 H ALA 43 H ALA 43 -6.905 -4.502 -3.584 321 HA ALA 43 HA ALA 43 -4.125 -5.291 -3.267 322 HB1 ALA 43 HB1 ALA 43 -5.570 -7.592 -3.012 323 HB2 ALA 43 HB2 ALA 43 -5.144 -6.515 -1.680 324 HB3 ALA 43 HB3 ALA 43 -6.722 -6.380 -2.453 325 H ILE 44 H ILE 44 -3.628 -4.832 -5.481 326 HA ILE 44 HA ILE 44 -4.785 -6.591 -7.482 327 HB ILE 44 HB ILE 44 -3.712 -5.346 -9.138 328 HG12 ILE 44 HG12 ILE 44 -1.451 -5.442 -7.949 329 HG13 ILE 44 HG13 ILE 44 -1.784 -4.014 -8.921 330 HG21 ILE 44 HG21 ILE 44 -4.221 -3.302 -6.990 331 HG22 ILE 44 HG22 ILE 44 -4.321 -3.071 -8.737 332 HG23 ILE 44 HG23 ILE 44 -5.485 -4.113 -7.915 333 HD11 ILE 44 HD11 ILE 44 -2.178 -4.107 -5.945 334 HD12 ILE 44 HD12 ILE 44 -0.676 -3.598 -6.716 335 HD13 ILE 44 HD13 ILE 44 -2.160 -2.691 -6.996 336 H VAL 45 H VAL 45 -3.473 -7.914 -8.851 337 HA VAL 45 HA VAL 45 -1.660 -9.562 -7.426 338 HB VAL 45 HB VAL 45 -2.386 -9.411 -10.332 339 HG11 VAL 45 HG11 VAL 45 -0.941 -11.743 -9.147 340 HG12 VAL 45 HG12 VAL 45 -1.127 -11.291 -10.841 341 HG13 VAL 45 HG13 VAL 45 -0.049 -10.367 -9.797 342 HG21 VAL 45 HG21 VAL 45 -3.844 -11.180 -9.956 343 HG22 VAL 45 HG22 VAL 45 -3.056 -11.627 -8.442 344 HG23 VAL 45 HG23 VAL 45 -4.045 -10.169 -8.523 345 HA PRO 46 HA PRO 46 2.202 -7.343 -7.801 346 HB2 PRO 46 HB2 PRO 46 3.168 -10.148 -8.206 347 HB3 PRO 46 HB3 PRO 46 3.816 -8.875 -7.162 348 HG2 PRO 46 HG2 PRO 46 2.351 -10.841 -6.136 349 HG3 PRO 46 HG3 PRO 46 2.177 -9.176 -5.551 350 HD2 PRO 46 HD2 PRO 46 0.364 -10.776 -7.286 351 HD3 PRO 46 HD3 PRO 46 -0.025 -9.496 -6.119 352 H GLY 47 H GLY 47 2.473 -6.280 -9.639 353 HA2 GLY 47 HA3 GLY 47 3.809 -6.648 -11.810 354 HA3 GLY 47 HA2 GLY 47 2.491 -7.755 -12.181 355 H THR 48 H THR 48 0.413 -6.284 -11.021 356 HA THR 48 HA THR 48 -0.059 -4.280 -13.015 357 HB THR 48 HB THR 48 -1.854 -4.350 -10.677 358 HG1 THR 48 HG1 THR 48 -1.456 -6.523 -10.651 359 HG21 THR 48 HG21 THR 48 -3.542 -4.652 -12.527 360 HG22 THR 48 HG22 THR 48 -2.199 -4.550 -13.666 361 HG23 THR 48 HG23 THR 48 -2.579 -3.179 -12.623 362 H SER 49 H SER 49 0.871 -2.394 -12.908 363 HA SER 49 HA SER 49 2.027 -1.381 -10.552 364 HB2 SER 49 HB2 SER 49 1.745 0.681 -12.503 365 HB3 SER 49 HB3 SER 49 3.195 -0.231 -12.073 366 HG SER 49 HG SER 49 3.013 -0.967 -14.041 367 HA PRO 50 HA PRO 50 -1.495 0.715 -8.754 368 HB2 PRO 50 HB2 PRO 50 0.666 2.402 -7.597 369 HB3 PRO 50 HB3 PRO 50 -0.672 1.580 -6.785 370 HG2 PRO 50 HG2 PRO 50 1.806 0.621 -6.627 371 HG3 PRO 50 HG3 PRO 50 0.417 -0.470 -6.782 372 HD2 PRO 50 HD2 PRO 50 2.412 0.366 -8.842 373 HD3 PRO 50 HD3 PRO 50 1.635 -1.212 -8.600 374 H ASP 51 H ASP 51 1.180 2.366 -10.336 375 HA ASP 51 HA ASP 51 -0.072 4.862 -10.712 376 HB2 ASP 51 HB2 ASP 51 2.212 4.878 -11.161 377 HB3 ASP 51 HB3 ASP 51 2.146 3.384 -12.087 378 H ALA 52 H ALA 52 -0.501 1.790 -12.260 379 HA ALA 52 HA ALA 52 -1.738 2.844 -14.644 380 HB1 ALA 52 HB1 ALA 52 -1.585 0.054 -13.510 381 HB2 ALA 52 HB2 ALA 52 -2.384 0.453 -15.031 382 HB3 ALA 52 HB3 ALA 52 -0.652 0.728 -14.847 383 H LEU 53 H LEU 53 -2.735 1.690 -11.521 384 HA LEU 53 HA LEU 53 -5.539 1.678 -12.084 385 HB2 LEU 53 HB2 LEU 53 -4.073 1.727 -9.460 386 HB3 LEU 53 HB3 LEU 53 -5.792 1.445 -9.647 387 HG LEU 53 HG LEU 53 -4.266 -0.381 -11.281 388 HD11 LEU 53 HD11 LEU 53 -3.383 -1.710 -9.342 389 HD12 LEU 53 HD12 LEU 53 -2.502 -0.225 -9.700 390 HD13 LEU 53 HD13 LEU 53 -3.627 -0.278 -8.342 391 HD21 LEU 53 HD21 LEU 53 -6.666 -0.311 -9.900 392 HD22 LEU 53 HD22 LEU 53 -5.999 -1.678 -10.792 393 HD23 LEU 53 HD23 LEU 53 -5.708 -1.530 -9.060 394 H THR 54 H THR 54 -3.249 3.831 -10.510 395 HA THR 54 HA THR 54 -4.934 5.949 -9.851 396 HB THR 54 HB THR 54 -2.091 6.194 -10.849 397 HG1 THR 54 HG1 THR 54 -2.107 4.676 -9.186 398 HG21 THR 54 HG21 THR 54 -2.252 8.013 -8.926 399 HG22 THR 54 HG22 THR 54 -3.960 7.972 -9.368 400 HG23 THR 54 HG23 THR 54 -2.742 8.369 -10.581 401 H ALA 55 H ALA 55 -3.186 5.230 -12.842 402 HA ALA 55 HA ALA 55 -4.018 7.514 -14.284 403 HB1 ALA 55 HB1 ALA 55 -2.154 5.695 -14.765 404 HB2 ALA 55 HB2 ALA 55 -3.444 4.983 -15.737 405 HB3 ALA 55 HB3 ALA 55 -2.899 6.628 -16.063 406 H ALA 56 H ALA 56 -5.364 4.283 -13.893 407 HA ALA 56 HA ALA 56 -7.419 4.491 -15.796 408 HB1 ALA 56 HB1 ALA 56 -8.519 2.685 -14.521 409 HB2 ALA 56 HB2 ALA 56 -6.816 2.352 -14.843 410 HB3 ALA 56 HB3 ALA 56 -7.323 2.892 -13.242 411 H VAL 57 H VAL 57 -7.310 5.358 -12.364 412 HA VAL 57 HA VAL 57 -10.032 6.206 -12.252 413 HB VAL 57 HB VAL 57 -7.765 6.965 -10.398 414 HG11 VAL 57 HG11 VAL 57 -9.882 7.059 -8.824 415 HG12 VAL 57 HG12 VAL 57 -9.404 8.445 -9.804 416 HG13 VAL 57 HG13 VAL 57 -10.708 7.387 -10.346 417 HG21 VAL 57 HG21 VAL 57 -8.200 4.490 -10.672 418 HG22 VAL 57 HG22 VAL 57 -8.346 5.121 -9.032 419 HG23 VAL 57 HG23 VAL 57 -9.796 4.785 -9.979 420 H ALA 58 H ALA 58 -6.920 7.808 -12.781 421 HA ALA 58 HA ALA 58 -7.921 10.460 -12.810 422 HB1 ALA 58 HB1 ALA 58 -5.669 9.935 -14.607 423 HB2 ALA 58 HB2 ALA 58 -5.801 11.050 -13.245 424 HB3 ALA 58 HB3 ALA 58 -5.439 9.347 -12.961 425 H GLY 59 H GLY 59 -7.388 8.072 -15.375 426 HA2 GLY 59 HA3 GLY 59 -8.369 9.764 -17.468 427 HA3 GLY 59 HA2 GLY 59 -8.033 8.043 -17.586 428 H LEU 60 H LEU 60 -9.889 7.832 -15.085 429 HA LEU 60 HA LEU 60 -12.307 7.296 -16.513 430 HB2 LEU 60 HB2 LEU 60 -11.244 6.837 -13.889 431 HB3 LEU 60 HB3 LEU 60 -12.852 7.515 -13.755 432 HG LEU 60 HG LEU 60 -13.867 5.673 -14.730 433 HD11 LEU 60 HD11 LEU 60 -12.590 3.938 -15.997 434 HD12 LEU 60 HD12 LEU 60 -12.659 5.518 -16.778 435 HD13 LEU 60 HD13 LEU 60 -11.192 5.012 -15.940 436 HD21 LEU 60 HD21 LEU 60 -11.574 4.140 -13.639 437 HD22 LEU 60 HD22 LEU 60 -12.401 5.268 -12.565 438 HD23 LEU 60 HD23 LEU 60 -13.304 3.965 -13.338 439 H GLY 61 H GLY 61 -10.954 10.141 -15.459 440 HA2 GLY 61 HA3 GLY 61 -11.968 12.257 -15.817 441 HA3 GLY 61 HA2 GLY 61 -13.543 11.510 -15.582 442 H TYR 62 H TYR 62 -11.300 10.439 -13.331 443 HA TYR 62 HA TYR 62 -12.294 12.371 -11.348 444 HB2 TYR 62 HB2 TYR 62 -11.697 9.435 -10.897 445 HB3 TYR 62 HB3 TYR 62 -12.310 10.568 -9.693 446 HD1 TYR 62 HD2 TYR 62 -14.536 11.815 -10.423 447 HD2 TYR 62 HD1 TYR 62 -13.227 8.077 -11.975 448 HE1 TYR 62 HE2 TYR 62 -16.838 11.301 -11.111 449 HE2 TYR 62 HE1 TYR 62 -15.527 7.550 -12.665 450 HH TYR 62 HH TYR 62 -17.597 8.761 -13.235 451 H LYS 63 H LYS 63 -10.617 11.120 -9.274 452 HA LYS 63 HA LYS 63 -7.924 11.690 -10.206 453 HB2 LYS 63 HB2 LYS 63 -9.459 13.714 -9.057 454 HB3 LYS 63 HB3 LYS 63 -8.425 13.150 -7.750 455 HG2 LYS 63 HG2 LYS 63 -6.881 14.519 -8.574 456 HG3 LYS 63 HG3 LYS 63 -6.691 13.348 -9.882 457 HD2 LYS 63 HD2 LYS 63 -8.948 14.995 -10.454 458 HD3 LYS 63 HD3 LYS 63 -7.582 16.033 -10.039 459 HE2 LYS 63 HE2 LYS 63 -6.694 15.687 -12.038 460 HE3 LYS 63 HE3 LYS 63 -6.628 13.954 -11.716 461 HZ1 LYS 63 HZ1 LYS 63 -8.631 15.502 -13.198 462 HZ2 LYS 63 HZ2 LYS 63 -9.143 14.110 -12.379 463 HZ3 LYS 63 HZ3 LYS 63 -7.936 13.998 -13.563 464 H ALA 64 H ALA 64 -6.435 10.544 -9.175 465 HA ALA 64 HA ALA 64 -6.855 9.641 -6.443 466 HB1 ALA 64 HB1 ALA 64 -6.774 7.841 -8.807 467 HB2 ALA 64 HB2 ALA 64 -5.898 7.331 -7.363 468 HB3 ALA 64 HB3 ALA 64 -7.630 7.656 -7.276 469 H THR 65 H THR 65 -4.806 8.758 -5.525 470 HA THR 65 HA THR 65 -2.398 9.237 -7.072 471 HB THR 65 HB THR 65 -2.138 10.515 -4.468 472 HG1 THR 65 HG1 THR 65 -3.953 11.560 -6.395 473 HG21 THR 65 HG21 THR 65 -0.933 10.576 -7.004 474 HG22 THR 65 HG22 THR 65 -0.465 11.488 -5.569 475 HG23 THR 65 HG23 THR 65 -1.588 12.192 -6.733 476 H LEU 66 H LEU 66 -0.686 8.027 -6.403 477 HA LEU 66 HA LEU 66 -1.159 5.937 -4.503 478 HB2 LEU 66 HB2 LEU 66 1.570 5.946 -5.105 479 HB3 LEU 66 HB3 LEU 66 0.330 4.942 -5.828 480 HG LEU 66 HG LEU 66 0.054 7.166 -7.334 481 HD11 LEU 66 HD11 LEU 66 2.785 7.214 -6.178 482 HD12 LEU 66 HD12 LEU 66 2.617 7.571 -7.896 483 HD13 LEU 66 HD13 LEU 66 1.752 8.543 -6.705 484 HD21 LEU 66 HD21 LEU 66 0.387 5.546 -8.813 485 HD22 LEU 66 HD22 LEU 66 2.125 5.695 -8.549 486 HD23 LEU 66 HD23 LEU 66 1.182 4.552 -7.592 487 H ALA 67 H ALA 67 -1.235 6.524 -2.411 488 HA ALA 67 HA ALA 67 1.187 7.633 -1.240 489 HB1 ALA 67 HB1 ALA 67 -1.231 8.929 -0.188 490 HB2 ALA 67 HB2 ALA 67 0.362 9.604 -0.530 491 HB3 ALA 67 HB3 ALA 67 -0.805 9.389 -1.836 492 H ASP 68 H ASP 68 1.256 5.419 -0.475 493 HA ASP 68 HA ASP 68 -0.826 4.473 1.262 494 HB2 ASP 68 HB2 ASP 68 1.315 2.894 1.883 495 HB3 ASP 68 HB3 ASP 68 0.157 2.568 0.601 496 H ALA 69 H ALA 69 -0.838 4.369 3.472 497 HA ALA 69 HA ALA 69 -0.423 4.931 5.625 498 HB1 ALA 69 HB1 ALA 69 2.138 4.947 6.181 499 HB2 ALA 69 HB2 ALA 69 1.318 3.443 5.760 500 HB3 ALA 69 HB3 ALA 69 2.281 4.291 4.551 Start of MODEL 9 1 H1 MET 1 H1 MET 1 2.970 1.865 -3.316 2 H2 MET 1 H2 MET 1 2.470 1.743 -1.696 3 H3 MET 1 H3 MET 1 1.320 1.857 -2.934 4 HA MET 1 HA MET 1 2.876 -0.290 -3.611 5 HB2 MET 1 HB2 MET 1 2.936 0.113 -0.784 6 HB3 MET 1 HB3 MET 1 1.936 -1.295 -1.114 7 HG2 MET 1 HG2 MET 1 4.170 -2.034 -0.773 8 HG3 MET 1 HG3 MET 1 3.789 -2.216 -2.485 9 HE1 MET 1 HE1 MET 1 6.216 -0.818 0.101 10 HE2 MET 1 HE2 MET 1 6.770 0.705 -0.592 11 HE3 MET 1 HE3 MET 1 5.109 0.551 -0.012 12 H THR 2 H THR 2 0.530 -1.125 -1.248 13 HA THR 2 HA THR 2 -1.321 -1.786 -3.400 14 HB THR 2 HB THR 2 -2.337 -2.794 -0.998 15 HG1 THR 2 HG1 THR 2 -0.529 -3.745 -0.018 16 HG21 THR 2 HG21 THR 2 -2.528 -4.263 -2.738 17 HG22 THR 2 HG22 THR 2 -1.075 -4.935 -1.997 18 HG23 THR 2 HG23 THR 2 -0.939 -3.862 -3.391 19 H HIS 3 H HIS 3 -0.888 0.842 -1.647 20 HA HIS 3 HA HIS 3 -3.773 1.314 -1.282 21 HB2 HIS 3 HB2 HIS 3 -1.458 2.223 0.427 22 HB3 HIS 3 HB3 HIS 3 -3.036 2.994 0.495 23 HD1 HIS 3 HD1 HIS 3 -2.637 2.115 3.082 24 HD2 HIS 3 HD2 HIS 3 -3.594 -0.715 0.195 25 HE1 HIS 3 HE1 HIS 3 -3.457 0.106 4.349 26 HE2 HIS 3 HE2 HIS 3 -3.767 -1.671 2.589 27 H LEU 4 H LEU 4 -4.583 3.048 -2.273 28 HA LEU 4 HA LEU 4 -2.790 5.276 -2.904 29 HB2 LEU 4 HB2 LEU 4 -4.707 5.320 -4.937 30 HB3 LEU 4 HB3 LEU 4 -2.999 4.978 -5.103 31 HG LEU 4 HG LEU 4 -4.621 2.656 -4.323 32 HD11 LEU 4 HD11 LEU 4 -5.345 4.319 -6.632 33 HD12 LEU 4 HD12 LEU 4 -5.096 2.611 -6.996 34 HD13 LEU 4 HD13 LEU 4 -6.279 3.090 -5.777 35 HD21 LEU 4 HD21 LEU 4 -2.725 3.022 -6.629 36 HD22 LEU 4 HD22 LEU 4 -2.182 2.708 -4.980 37 HD23 LEU 4 HD23 LEU 4 -3.184 1.524 -5.820 38 H LYS 5 H LYS 5 -4.284 7.216 -3.615 39 HA LYS 5 HA LYS 5 -6.519 7.270 -1.698 40 HB2 LYS 5 HB2 LYS 5 -4.226 9.054 -2.060 41 HB3 LYS 5 HB3 LYS 5 -5.767 9.896 -1.992 42 HG2 LYS 5 HG2 LYS 5 -6.011 8.182 0.098 43 HG3 LYS 5 HG3 LYS 5 -4.277 8.515 0.112 44 HD2 LYS 5 HD2 LYS 5 -6.311 10.717 -0.077 45 HD3 LYS 5 HD3 LYS 5 -5.794 10.061 1.479 46 HE2 LYS 5 HE2 LYS 5 -3.393 10.487 0.498 47 HE3 LYS 5 HE3 LYS 5 -4.251 11.630 -0.534 48 HZ1 LYS 5 HZ1 LYS 5 -3.424 11.984 2.106 49 HZ2 LYS 5 HZ2 LYS 5 -5.120 11.973 2.113 50 HZ3 LYS 5 HZ3 LYS 5 -4.287 13.069 1.123 51 H ILE 6 H ILE 6 -8.431 8.014 -2.385 52 HA ILE 6 HA ILE 6 -8.621 8.822 -5.193 53 HB ILE 6 HB ILE 6 -10.077 6.963 -3.865 54 HG12 ILE 6 HG12 ILE 6 -9.930 7.610 -6.352 55 HG13 ILE 6 HG13 ILE 6 -11.392 6.813 -5.784 56 HG21 ILE 6 HG21 ILE 6 -12.437 8.098 -3.807 57 HG22 ILE 6 HG22 ILE 6 -11.374 8.127 -2.400 58 HG23 ILE 6 HG23 ILE 6 -11.489 9.541 -3.449 59 HD11 ILE 6 HD11 ILE 6 -12.478 9.038 -5.644 60 HD12 ILE 6 HD12 ILE 6 -11.029 9.743 -6.363 61 HD13 ILE 6 HD13 ILE 6 -11.989 8.581 -7.277 62 H THR 7 H THR 7 -9.332 10.829 -5.789 63 HA THR 7 HA THR 7 -9.982 12.686 -3.595 64 HB THR 7 HB THR 7 -8.586 14.153 -5.558 65 HG1 THR 7 HG1 THR 7 -7.501 11.603 -5.030 66 HG21 THR 7 HG21 THR 7 -7.070 14.635 -3.759 67 HG22 THR 7 HG22 THR 7 -7.557 13.178 -2.893 68 HG23 THR 7 HG23 THR 7 -8.694 14.513 -3.081 69 H GLY 8 H GLY 8 -10.743 11.538 -6.708 70 HA2 GLY 8 HA3 GLY 8 -11.960 13.908 -7.747 71 HA3 GLY 8 HA2 GLY 8 -12.187 12.274 -8.354 72 H MET 9 H MET 9 -13.002 11.372 -5.644 73 HA MET 9 HA MET 9 -15.294 12.684 -4.744 74 HB2 MET 9 HB2 MET 9 -15.712 11.328 -7.224 75 HB3 MET 9 HB3 MET 9 -16.555 10.433 -5.967 76 HG2 MET 9 HG2 MET 9 -17.031 13.176 -6.994 77 HG3 MET 9 HG3 MET 9 -18.182 11.903 -6.589 78 HE1 MET 9 HE1 MET 9 -16.475 15.036 -5.689 79 HE2 MET 9 HE2 MET 9 -18.224 15.245 -5.671 80 HE3 MET 9 HE3 MET 9 -17.291 15.499 -4.197 81 H THR 10 H THR 10 -15.816 11.763 -2.803 82 HA THR 10 HA THR 10 -14.340 9.280 -2.215 83 HB THR 10 HB THR 10 -14.693 10.635 0.184 84 HG1 THR 10 HG1 THR 10 -13.675 12.526 -1.673 85 HG21 THR 10 HG21 THR 10 -12.502 9.971 -1.647 86 HG22 THR 10 HG22 THR 10 -12.605 9.796 0.104 87 HG23 THR 10 HG23 THR 10 -12.171 11.353 -0.601 88 H CYS 11 H CYS 11 -17.061 11.224 -1.027 89 HA CYS 11 HA CYS 11 -17.823 9.962 1.164 90 HB2 CYS 11 HB2 CYS 11 -20.282 10.518 0.217 91 HB3 CYS 11 HB3 CYS 11 -19.163 11.748 0.798 92 H ASP 12 H ASP 12 -19.254 8.898 -1.930 93 HA ASP 12 HA ASP 12 -19.079 6.188 -1.417 94 HB2 ASP 12 HB2 ASP 12 -20.981 5.496 -0.347 95 HB3 ASP 12 HB3 ASP 12 -20.832 7.077 0.403 96 H SER 13 H SER 13 -20.767 4.945 -2.843 97 HA SER 13 HA SER 13 -21.721 4.566 -4.864 98 HB2 SER 13 HB2 SER 13 -22.075 7.571 -4.986 99 HB3 SER 13 HB3 SER 13 -22.830 6.405 -6.073 100 HG SER 13 HG SER 13 -23.164 6.298 -3.251 101 H CYS 14 H CYS 14 -20.015 7.660 -5.402 102 HA CYS 14 HA CYS 14 -18.921 6.961 -7.874 103 HB2 CYS 14 HB2 CYS 14 -17.161 8.725 -6.424 104 HB3 CYS 14 HB3 CYS 14 -18.216 9.084 -7.788 105 H ALA 15 H ALA 15 -17.470 6.836 -4.628 106 HA ALA 15 HA ALA 15 -15.143 5.413 -5.513 107 HB1 ALA 15 HB1 ALA 15 -15.659 6.913 -3.331 108 HB2 ALA 15 HB2 ALA 15 -15.864 5.297 -2.656 109 HB3 ALA 15 HB3 ALA 15 -14.342 5.743 -3.428 110 H ALA 16 H ALA 16 -17.135 4.033 -6.544 111 HA ALA 16 HA ALA 16 -16.876 1.424 -5.383 112 HB1 ALA 16 HB1 ALA 16 -19.667 2.564 -5.568 113 HB2 ALA 16 HB2 ALA 16 -19.200 0.964 -4.988 114 HB3 ALA 16 HB3 ALA 16 -18.766 2.400 -4.060 115 H HIS 17 H HIS 17 -18.743 3.458 -7.636 116 HA HIS 17 HA HIS 17 -18.798 1.531 -9.715 117 HB2 HIS 17 HB2 HIS 17 -19.931 3.986 -9.380 118 HB3 HIS 17 HB3 HIS 17 -18.648 4.359 -10.527 119 HD1 HIS 17 HD1 HIS 17 -21.510 4.635 -11.469 120 HD2 HIS 17 HD2 HIS 17 -19.326 1.109 -11.811 121 HE1 HIS 17 HE1 HIS 17 -22.606 3.328 -13.321 122 HE2 HIS 17 HE2 HIS 17 -21.356 1.141 -13.414 123 H VAL 18 H VAL 18 -16.531 3.993 -8.716 124 HA VAL 18 HA VAL 18 -14.648 3.669 -10.794 125 HB VAL 18 HB VAL 18 -14.361 4.619 -7.938 126 HG11 VAL 18 HG11 VAL 18 -12.111 5.098 -8.217 127 HG12 VAL 18 HG12 VAL 18 -12.257 3.515 -8.981 128 HG13 VAL 18 HG13 VAL 18 -12.197 4.971 -9.974 129 HG21 VAL 18 HG21 VAL 18 -14.053 6.804 -8.990 130 HG22 VAL 18 HG22 VAL 18 -14.236 6.066 -10.581 131 HG23 VAL 18 HG23 VAL 18 -15.593 6.081 -9.455 132 H LYS 19 H LYS 19 -15.165 2.045 -7.706 133 HA LYS 19 HA LYS 19 -12.944 0.321 -7.781 134 HB2 LYS 19 HB2 LYS 19 -14.284 0.602 -5.753 135 HB3 LYS 19 HB3 LYS 19 -15.685 -0.088 -6.556 136 HG2 LYS 19 HG2 LYS 19 -13.429 -1.881 -6.676 137 HG3 LYS 19 HG3 LYS 19 -13.810 -1.428 -5.012 138 HD2 LYS 19 HD2 LYS 19 -16.285 -1.907 -6.153 139 HD3 LYS 19 HD3 LYS 19 -15.249 -3.153 -6.854 140 HE2 LYS 19 HE2 LYS 19 -14.672 -2.904 -4.068 141 HE3 LYS 19 HE3 LYS 19 -16.411 -3.093 -4.287 142 HZ1 LYS 19 HZ1 LYS 19 -14.328 -4.887 -5.424 143 HZ2 LYS 19 HZ2 LYS 19 -16.006 -5.085 -5.585 144 HZ3 LYS 19 HZ3 LYS 19 -15.281 -5.229 -4.058 145 H GLU 20 H GLU 20 -16.215 0.057 -9.113 146 HA GLU 20 HA GLU 20 -16.034 -2.536 -10.160 147 HB2 GLU 20 HB2 GLU 20 -18.080 -0.992 -10.023 148 HB3 GLU 20 HB3 GLU 20 -17.493 -0.269 -11.513 149 HG2 GLU 20 HG2 GLU 20 -17.564 -3.131 -11.745 150 HG3 GLU 20 HG3 GLU 20 -19.133 -2.504 -11.239 151 H ALA 21 H ALA 21 -15.380 0.595 -11.725 152 HA ALA 21 HA ALA 21 -14.364 -0.406 -14.134 153 HB1 ALA 21 HB1 ALA 21 -13.602 2.152 -12.726 154 HB2 ALA 21 HB2 ALA 21 -13.347 1.788 -14.433 155 HB3 ALA 21 HB3 ALA 21 -14.986 1.940 -13.799 156 H LEU 22 H LEU 22 -12.767 0.244 -11.057 157 HA LEU 22 HA LEU 22 -10.123 -0.255 -11.887 158 HB2 LEU 22 HB2 LEU 22 -11.533 -0.328 -9.245 159 HB3 LEU 22 HB3 LEU 22 -9.871 -0.866 -9.367 160 HG LEU 22 HG LEU 22 -10.819 1.874 -10.200 161 HD11 LEU 22 HD11 LEU 22 -9.791 2.677 -8.138 162 HD12 LEU 22 HD12 LEU 22 -11.113 1.560 -7.798 163 HD13 LEU 22 HD13 LEU 22 -9.441 1.016 -7.661 164 HD21 LEU 22 HD21 LEU 22 -8.209 0.463 -10.205 165 HD22 LEU 22 HD22 LEU 22 -8.857 1.656 -11.330 166 HD23 LEU 22 HD23 LEU 22 -8.221 2.172 -9.768 167 H GLU 23 H GLU 23 -12.554 -2.390 -10.401 168 HA GLU 23 HA GLU 23 -10.861 -4.689 -10.553 169 HB2 GLU 23 HB2 GLU 23 -13.559 -4.077 -9.578 170 HB3 GLU 23 HB3 GLU 23 -13.385 -5.700 -10.242 171 HG2 GLU 23 HG2 GLU 23 -11.627 -6.214 -8.723 172 HG3 GLU 23 HG3 GLU 23 -11.533 -4.544 -8.175 173 H LYS 24 H LYS 24 -12.687 -3.036 -12.856 174 HA LYS 24 HA LYS 24 -13.155 -5.227 -14.632 175 HB2 LYS 24 HB2 LYS 24 -14.415 -3.353 -15.195 176 HB3 LYS 24 HB3 LYS 24 -13.096 -2.240 -14.871 177 HG2 LYS 24 HG2 LYS 24 -11.987 -3.210 -16.949 178 HG3 LYS 24 HG3 LYS 24 -13.555 -3.933 -17.303 179 HD2 LYS 24 HD2 LYS 24 -14.277 -2.010 -18.151 180 HD3 LYS 24 HD3 LYS 24 -13.943 -1.193 -16.621 181 HE2 LYS 24 HE2 LYS 24 -11.843 -0.498 -17.305 182 HE3 LYS 24 HE3 LYS 24 -11.711 -1.761 -18.527 183 HZ1 LYS 24 HZ1 LYS 24 -13.860 -0.302 -19.335 184 HZ2 LYS 24 HZ2 LYS 24 -12.292 -0.185 -19.966 185 HZ3 LYS 24 HZ3 LYS 24 -12.798 0.883 -18.748 186 H VAL 25 H VAL 25 -10.450 -3.215 -13.815 187 HA VAL 25 HA VAL 25 -8.797 -3.944 -16.042 188 HB VAL 25 HB VAL 25 -7.989 -2.818 -13.350 189 HG11 VAL 25 HG11 VAL 25 -6.147 -3.850 -14.645 190 HG12 VAL 25 HG12 VAL 25 -6.500 -2.741 -15.970 191 HG13 VAL 25 HG13 VAL 25 -5.951 -2.112 -14.417 192 HG21 VAL 25 HG21 VAL 25 -8.369 -1.260 -15.890 193 HG22 VAL 25 HG22 VAL 25 -9.665 -1.482 -14.715 194 HG23 VAL 25 HG23 VAL 25 -8.181 -0.654 -14.245 195 HA PRO 26 HA PRO 26 -7.694 -7.975 -14.483 196 HB2 PRO 26 HB2 PRO 26 -5.540 -8.401 -16.110 197 HB3 PRO 26 HB3 PRO 26 -7.214 -8.594 -16.639 198 HG2 PRO 26 HG2 PRO 26 -5.357 -6.282 -17.037 199 HG3 PRO 26 HG3 PRO 26 -6.479 -7.026 -18.190 200 HD2 PRO 26 HD2 PRO 26 -7.067 -4.732 -16.898 201 HD3 PRO 26 HD3 PRO 26 -8.313 -5.932 -17.304 202 H GLY 27 H GLY 27 -6.202 -8.882 -13.105 203 HA2 GLY 27 HA3 GLY 27 -4.193 -8.918 -11.848 204 HA3 GLY 27 HA2 GLY 27 -3.873 -7.261 -12.347 205 H VAL 28 H VAL 28 -6.885 -6.885 -11.698 206 HA VAL 28 HA VAL 28 -6.452 -6.171 -8.904 207 HB VAL 28 HB VAL 28 -8.754 -5.498 -10.737 208 HG11 VAL 28 HG11 VAL 28 -8.640 -3.578 -8.779 209 HG12 VAL 28 HG12 VAL 28 -9.753 -4.946 -8.810 210 HG13 VAL 28 HG13 VAL 28 -8.247 -5.055 -7.896 211 HG21 VAL 28 HG21 VAL 28 -7.513 -3.157 -10.389 212 HG22 VAL 28 HG22 VAL 28 -6.119 -4.232 -10.282 213 HG23 VAL 28 HG23 VAL 28 -7.139 -4.250 -11.720 214 H GLN 29 H GLN 29 -7.009 -7.654 -7.423 215 HA GLN 29 HA GLN 29 -8.918 -9.722 -8.124 216 HB2 GLN 29 HB2 GLN 29 -7.037 -10.601 -7.056 217 HB3 GLN 29 HB3 GLN 29 -6.986 -9.313 -5.864 218 HG2 GLN 29 HG2 GLN 29 -9.385 -10.463 -5.314 219 HG3 GLN 29 HG3 GLN 29 -8.435 -11.854 -5.837 220 HE21 GLN 29 HE21 GLN 29 -6.419 -12.263 -4.747 221 HE22 GLN 29 HE22 GLN 29 -6.203 -11.749 -3.107 222 H SER 30 H SER 30 -8.549 -7.380 -5.431 223 HA SER 30 HA SER 30 -11.415 -6.947 -5.435 224 HB2 SER 30 HB2 SER 30 -10.066 -8.003 -2.934 225 HB3 SER 30 HB3 SER 30 -11.764 -7.554 -3.100 226 HG SER 30 HG SER 30 -11.315 -9.273 -5.012 227 H ALA 31 H ALA 31 -11.630 -4.814 -5.335 228 HA ALA 31 HA ALA 31 -9.516 -3.217 -4.059 229 HB1 ALA 31 HB1 ALA 31 -9.967 -1.597 -5.561 230 HB2 ALA 31 HB2 ALA 31 -10.710 -2.919 -6.464 231 HB3 ALA 31 HB3 ALA 31 -11.711 -1.854 -5.476 232 H LEU 32 H LEU 32 -9.844 -2.748 -1.978 233 HA LEU 32 HA LEU 32 -12.581 -2.338 -1.017 234 HB2 LEU 32 HB2 LEU 32 -10.445 -3.808 0.005 235 HB3 LEU 32 HB3 LEU 32 -10.515 -2.379 1.016 236 HG LEU 32 HG LEU 32 -11.839 -4.515 1.681 237 HD11 LEU 32 HD11 LEU 32 -13.402 -1.964 1.766 238 HD12 LEU 32 HD12 LEU 32 -13.245 -3.214 2.999 239 HD13 LEU 32 HD13 LEU 32 -11.891 -2.139 2.656 240 HD21 LEU 32 HD21 LEU 32 -13.425 -5.169 0.270 241 HD22 LEU 32 HD22 LEU 32 -14.291 -3.674 0.620 242 HD23 LEU 32 HD23 LEU 32 -13.177 -3.748 -0.744 243 H VAL 33 H VAL 33 -12.923 -0.253 -1.591 244 HA VAL 33 HA VAL 33 -11.014 1.807 -0.808 245 HB VAL 33 HB VAL 33 -13.498 2.771 -1.951 246 HG11 VAL 33 HG11 VAL 33 -10.576 3.081 -2.448 247 HG12 VAL 33 HG12 VAL 33 -11.742 3.683 -3.627 248 HG13 VAL 33 HG13 VAL 33 -11.769 4.289 -1.970 249 HG21 VAL 33 HG21 VAL 33 -13.314 0.487 -3.023 250 HG22 VAL 33 HG22 VAL 33 -13.367 1.859 -4.130 251 HG23 VAL 33 HG23 VAL 33 -11.831 1.066 -3.781 252 H SER 34 H SER 34 -11.220 2.973 0.979 253 HA SER 34 HA SER 34 -13.723 2.871 2.485 254 HB2 SER 34 HB2 SER 34 -11.133 4.189 3.325 255 HB3 SER 34 HB3 SER 34 -12.476 3.689 4.354 256 HG SER 34 HG SER 34 -10.477 2.141 3.129 257 H TYR 35 H TYR 35 -15.147 4.279 1.691 258 HA TYR 35 HA TYR 35 -14.566 6.513 0.157 259 HB2 TYR 35 HB2 TYR 35 -17.116 6.615 1.655 260 HB3 TYR 35 HB3 TYR 35 -16.806 6.818 -0.054 261 HD1 TYR 35 HD1 TYR 35 -16.114 4.595 -1.327 262 HD2 TYR 35 HD2 TYR 35 -18.186 4.701 2.387 263 HE1 TYR 35 HE1 TYR 35 -16.973 2.328 -1.744 264 HE2 TYR 35 HE2 TYR 35 -19.047 2.435 1.979 265 HH TYR 35 HH TYR 35 -17.818 0.402 -0.440 266 HA PRO 36 HA PRO 36 -15.395 9.457 3.813 267 HB2 PRO 36 HB2 PRO 36 -15.557 8.549 6.342 268 HB3 PRO 36 HB3 PRO 36 -16.949 8.557 5.253 269 HG2 PRO 36 HG2 PRO 36 -15.135 6.297 5.994 270 HG3 PRO 36 HG3 PRO 36 -16.901 6.309 5.838 271 HD2 PRO 36 HD2 PRO 36 -15.232 5.365 3.899 272 HD3 PRO 36 HD3 PRO 36 -16.826 6.065 3.559 273 H LYS 37 H LYS 37 -12.944 7.514 3.303 274 HA LYS 37 HA LYS 37 -11.140 9.010 5.072 275 HB2 LYS 37 HB2 LYS 37 -10.841 6.080 4.403 276 HB3 LYS 37 HB3 LYS 37 -9.753 7.034 5.401 277 HG2 LYS 37 HG2 LYS 37 -12.642 6.620 6.110 278 HG3 LYS 37 HG3 LYS 37 -11.369 5.502 6.606 279 HD2 LYS 37 HD2 LYS 37 -10.467 6.979 8.091 280 HD3 LYS 37 HD3 LYS 37 -10.939 8.390 7.144 281 HE2 LYS 37 HE2 LYS 37 -13.199 8.230 7.903 282 HE3 LYS 37 HE3 LYS 37 -12.893 6.663 8.650 283 HZ1 LYS 37 HZ1 LYS 37 -11.068 8.339 9.800 284 HZ2 LYS 37 HZ2 LYS 37 -12.511 7.796 10.506 285 HZ3 LYS 37 HZ3 LYS 37 -12.468 9.286 9.695 286 H GLY 38 H GLY 38 -12.022 8.014 1.992 287 HA2 GLY 38 HA3 GLY 38 -11.147 8.483 -0.071 288 HA3 GLY 38 HA2 GLY 38 -9.997 9.528 0.743 289 H THR 39 H THR 39 -10.036 6.237 1.728 290 HA THR 39 HA THR 39 -7.411 5.934 0.450 291 HB THR 39 HB THR 39 -8.023 3.961 2.489 292 HG1 THR 39 HG1 THR 39 -8.255 6.730 3.089 293 HG21 THR 39 HG21 THR 39 -5.895 5.765 3.147 294 HG22 THR 39 HG22 THR 39 -5.811 5.357 1.434 295 HG23 THR 39 HG23 THR 39 -5.801 4.076 2.646 296 H ALA 40 H ALA 40 -6.974 4.297 -0.882 297 HA ALA 40 HA ALA 40 -9.134 2.367 -1.417 298 HB1 ALA 40 HB1 ALA 40 -6.968 2.891 -3.398 299 HB2 ALA 40 HB2 ALA 40 -8.648 2.422 -3.660 300 HB3 ALA 40 HB3 ALA 40 -8.257 4.080 -3.206 301 H GLN 41 H GLN 41 -8.658 0.593 -0.270 302 HA GLN 41 HA GLN 41 -5.896 -0.416 -0.314 303 HB2 GLN 41 HB2 GLN 41 -8.186 -1.521 1.310 304 HB3 GLN 41 HB3 GLN 41 -6.465 -1.782 1.554 305 HG2 GLN 41 HG2 GLN 41 -6.612 -0.201 3.108 306 HG3 GLN 41 HG3 GLN 41 -6.687 0.939 1.765 307 HE21 GLN 41 HE21 GLN 41 -8.925 -1.292 3.404 308 HE22 GLN 41 HE22 GLN 41 -10.204 -0.135 3.576 309 H LEU 42 H LEU 42 -6.042 -1.092 -2.513 310 HA LEU 42 HA LEU 42 -8.030 -3.139 -3.130 311 HB2 LEU 42 HB2 LEU 42 -6.193 -2.535 -5.281 312 HB3 LEU 42 HB3 LEU 42 -7.941 -2.408 -5.236 313 HG LEU 42 HG LEU 42 -7.225 -0.226 -3.785 314 HD11 LEU 42 HD11 LEU 42 -4.820 -1.015 -4.800 315 HD12 LEU 42 HD12 LEU 42 -5.368 0.133 -6.021 316 HD13 LEU 42 HD13 LEU 42 -5.226 0.638 -4.337 317 HD21 LEU 42 HD21 LEU 42 -8.438 0.768 -5.362 318 HD22 LEU 42 HD22 LEU 42 -7.250 0.391 -6.609 319 HD23 LEU 42 HD23 LEU 42 -8.489 -0.789 -6.188 320 H ALA 43 H ALA 43 -7.575 -5.204 -3.140 321 HA ALA 43 HA ALA 43 -4.868 -6.125 -2.724 322 HB1 ALA 43 HB1 ALA 43 -6.769 -7.122 -1.491 323 HB2 ALA 43 HB2 ALA 43 -7.418 -7.713 -3.020 324 HB3 ALA 43 HB3 ALA 43 -5.867 -8.311 -2.430 325 H ILE 44 H ILE 44 -4.089 -5.353 -4.712 326 HA ILE 44 HA ILE 44 -4.948 -6.728 -7.130 327 HB ILE 44 HB ILE 44 -3.074 -5.340 -8.179 328 HG12 ILE 44 HG12 ILE 44 -3.230 -3.363 -6.029 329 HG13 ILE 44 HG13 ILE 44 -2.418 -4.845 -5.534 330 HG21 ILE 44 HG21 ILE 44 -4.456 -3.348 -8.289 331 HG22 ILE 44 HG22 ILE 44 -5.459 -4.798 -8.359 332 HG23 ILE 44 HG23 ILE 44 -5.352 -3.871 -6.863 333 HD11 ILE 44 HD11 ILE 44 -0.948 -4.608 -7.535 334 HD12 ILE 44 HD12 ILE 44 -1.678 -3.025 -7.806 335 HD13 ILE 44 HD13 ILE 44 -0.768 -3.336 -6.326 336 H VAL 45 H VAL 45 -3.598 -8.049 -8.350 337 HA VAL 45 HA VAL 45 -1.704 -9.616 -6.872 338 HB VAL 45 HB VAL 45 -1.864 -9.804 -9.836 339 HG11 VAL 45 HG11 VAL 45 -2.190 -12.305 -8.727 340 HG12 VAL 45 HG12 VAL 45 -0.670 -11.610 -9.290 341 HG13 VAL 45 HG13 VAL 45 -1.120 -11.487 -7.589 342 HG21 VAL 45 HG21 VAL 45 -3.910 -11.456 -8.957 343 HG22 VAL 45 HG22 VAL 45 -4.179 -9.930 -8.112 344 HG23 VAL 45 HG23 VAL 45 -4.084 -9.958 -9.873 345 HA PRO 46 HA PRO 46 1.850 -7.096 -7.273 346 HB2 PRO 46 HB2 PRO 46 3.738 -9.124 -7.660 347 HB3 PRO 46 HB3 PRO 46 3.182 -8.488 -6.111 348 HG2 PRO 46 HG2 PRO 46 2.305 -10.925 -7.585 349 HG3 PRO 46 HG3 PRO 46 2.511 -10.677 -5.842 350 HD2 PRO 46 HD2 PRO 46 0.083 -10.712 -6.942 351 HD3 PRO 46 HD3 PRO 46 0.473 -9.570 -5.638 352 H GLY 47 H GLY 47 0.922 -9.140 -9.884 353 HA2 GLY 47 HA3 GLY 47 3.017 -8.424 -11.696 354 HA3 GLY 47 HA2 GLY 47 1.471 -9.144 -12.124 355 H THR 48 H THR 48 0.104 -6.876 -10.651 356 HA THR 48 HA THR 48 0.028 -5.028 -12.895 357 HB THR 48 HB THR 48 -1.582 -4.412 -10.508 358 HG1 THR 48 HG1 THR 48 -1.691 -6.915 -11.807 359 HG21 THR 48 HG21 THR 48 -1.703 -4.102 -13.361 360 HG22 THR 48 HG22 THR 48 -2.686 -3.328 -12.117 361 HG23 THR 48 HG23 THR 48 -3.175 -4.885 -12.786 362 H SER 49 H SER 49 -0.552 -2.649 -11.805 363 HA SER 49 HA SER 49 1.602 -1.965 -10.033 364 HB2 SER 49 HB2 SER 49 1.918 -0.139 -12.162 365 HB3 SER 49 HB3 SER 49 3.056 -1.378 -11.636 366 HG SER 49 HG SER 49 2.189 -1.355 -13.936 367 HA PRO 50 HA PRO 50 -1.408 0.911 -8.563 368 HB2 PRO 50 HB2 PRO 50 1.006 2.566 -7.979 369 HB3 PRO 50 HB3 PRO 50 -0.323 2.114 -6.905 370 HG2 PRO 50 HG2 PRO 50 2.012 0.894 -6.686 371 HG3 PRO 50 HG3 PRO 50 0.509 -0.048 -6.590 372 HD2 PRO 50 HD2 PRO 50 2.437 0.221 -8.864 373 HD3 PRO 50 HD3 PRO 50 1.569 -1.217 -8.286 374 H ASP 51 H ASP 51 1.172 2.035 -10.678 375 HA ASP 51 HA ASP 51 0.124 4.540 -11.356 376 HB2 ASP 51 HB2 ASP 51 2.341 3.959 -12.063 377 HB3 ASP 51 HB3 ASP 51 1.754 2.564 -12.961 378 H ALA 52 H ALA 52 -0.816 1.335 -12.323 379 HA ALA 52 HA ALA 52 -2.296 2.185 -14.644 380 HB1 ALA 52 HB1 ALA 52 -1.597 -0.344 -13.374 381 HB2 ALA 52 HB2 ALA 52 -3.242 -0.322 -14.009 382 HB3 ALA 52 HB3 ALA 52 -1.881 0.030 -15.074 383 H LEU 53 H LEU 53 -2.968 1.488 -11.290 384 HA LEU 53 HA LEU 53 -5.813 1.510 -11.561 385 HB2 LEU 53 HB2 LEU 53 -4.036 1.710 -9.147 386 HB3 LEU 53 HB3 LEU 53 -5.782 1.611 -9.066 387 HG LEU 53 HG LEU 53 -4.789 -0.547 -10.667 388 HD11 LEU 53 HD11 LEU 53 -2.700 -0.292 -9.466 389 HD12 LEU 53 HD12 LEU 53 -3.558 -0.298 -7.926 390 HD13 LEU 53 HD13 LEU 53 -3.536 -1.749 -8.928 391 HD21 LEU 53 HD21 LEU 53 -6.000 -1.886 -9.042 392 HD22 LEU 53 HD22 LEU 53 -6.112 -0.498 -7.959 393 HD23 LEU 53 HD23 LEU 53 -6.945 -0.473 -9.513 394 H THR 54 H THR 54 -3.383 3.747 -10.310 395 HA THR 54 HA THR 54 -5.039 5.908 -9.721 396 HB THR 54 HB THR 54 -2.261 6.171 -10.869 397 HG1 THR 54 HG1 THR 54 -1.991 4.703 -9.249 398 HG21 THR 54 HG21 THR 54 -4.134 7.941 -9.512 399 HG22 THR 54 HG22 THR 54 -2.685 8.328 -10.440 400 HG23 THR 54 HG23 THR 54 -2.552 7.894 -8.736 401 H ALA 55 H ALA 55 -3.443 4.986 -12.739 402 HA ALA 55 HA ALA 55 -4.324 7.201 -14.270 403 HB1 ALA 55 HB1 ALA 55 -2.828 6.308 -15.647 404 HB2 ALA 55 HB2 ALA 55 -2.819 4.800 -14.731 405 HB3 ALA 55 HB3 ALA 55 -3.993 5.038 -16.025 406 H ALA 56 H ALA 56 -5.717 4.036 -13.581 407 HA ALA 56 HA ALA 56 -7.849 4.185 -15.429 408 HB1 ALA 56 HB1 ALA 56 -8.562 2.764 -13.014 409 HB2 ALA 56 HB2 ALA 56 -8.326 2.154 -14.651 410 HB3 ALA 56 HB3 ALA 56 -6.945 2.327 -13.568 411 H VAL 57 H VAL 57 -7.569 5.185 -12.043 412 HA VAL 57 HA VAL 57 -10.256 6.098 -11.829 413 HB VAL 57 HB VAL 57 -7.890 6.956 -10.153 414 HG11 VAL 57 HG11 VAL 57 -10.754 7.542 -10.087 415 HG12 VAL 57 HG12 VAL 57 -10.116 6.951 -8.553 416 HG13 VAL 57 HG13 VAL 57 -9.407 8.377 -9.312 417 HG21 VAL 57 HG21 VAL 57 -8.789 4.395 -10.411 418 HG22 VAL 57 HG22 VAL 57 -7.980 5.045 -8.985 419 HG23 VAL 57 HG23 VAL 57 -9.743 4.978 -9.048 420 H ALA 58 H ALA 58 -7.153 7.647 -12.582 421 HA ALA 58 HA ALA 58 -8.154 10.293 -12.735 422 HB1 ALA 58 HB1 ALA 58 -6.132 10.686 -14.196 423 HB2 ALA 58 HB2 ALA 58 -5.806 10.011 -12.600 424 HB3 ALA 58 HB3 ALA 58 -5.776 8.967 -14.021 425 H GLY 59 H GLY 59 -7.747 7.754 -15.167 426 HA2 GLY 59 HA3 GLY 59 -8.841 9.276 -17.320 427 HA3 GLY 59 HA2 GLY 59 -8.555 7.543 -17.306 428 H LEU 60 H LEU 60 -10.258 7.591 -14.696 429 HA LEU 60 HA LEU 60 -12.793 7.093 -15.929 430 HB2 LEU 60 HB2 LEU 60 -11.588 6.581 -13.429 431 HB3 LEU 60 HB3 LEU 60 -13.042 7.502 -13.119 432 HG LEU 60 HG LEU 60 -13.212 4.961 -13.096 433 HD11 LEU 60 HD11 LEU 60 -15.291 5.787 -12.981 434 HD12 LEU 60 HD12 LEU 60 -15.016 6.948 -14.281 435 HD13 LEU 60 HD13 LEU 60 -15.390 5.267 -14.663 436 HD21 LEU 60 HD21 LEU 60 -12.979 3.748 -14.966 437 HD22 LEU 60 HD22 LEU 60 -13.743 4.975 -15.976 438 HD23 LEU 60 HD23 LEU 60 -12.040 5.125 -15.542 439 H GLY 61 H GLY 61 -11.242 9.910 -15.261 440 HA2 GLY 61 HA3 GLY 61 -12.183 12.027 -15.735 441 HA3 GLY 61 HA2 GLY 61 -13.766 11.391 -15.312 442 H TYR 62 H TYR 62 -11.614 10.337 -13.054 443 HA TYR 62 HA TYR 62 -12.257 12.584 -11.268 444 HB2 TYR 62 HB2 TYR 62 -12.097 9.623 -10.669 445 HB3 TYR 62 HB3 TYR 62 -12.196 10.868 -9.423 446 HD1 TYR 62 HD2 TYR 62 -14.192 12.608 -9.843 447 HD2 TYR 62 HD1 TYR 62 -14.082 8.612 -11.292 448 HE1 TYR 62 HE2 TYR 62 -16.642 12.620 -10.038 449 HE2 TYR 62 HE1 TYR 62 -16.533 8.610 -11.496 450 HH TYR 62 HH TYR 62 -18.357 10.295 -11.771 451 H LYS 63 H LYS 63 -10.702 12.118 -9.154 452 HA LYS 63 HA LYS 63 -7.995 12.129 -10.298 453 HB2 LYS 63 HB2 LYS 63 -9.370 13.981 -8.473 454 HB3 LYS 63 HB3 LYS 63 -7.743 13.535 -7.975 455 HG2 LYS 63 HG2 LYS 63 -6.809 14.805 -9.544 456 HG3 LYS 63 HG3 LYS 63 -7.896 14.201 -10.796 457 HD2 LYS 63 HD2 LYS 63 -8.825 16.231 -10.778 458 HD3 LYS 63 HD3 LYS 63 -9.528 15.780 -9.222 459 HE2 LYS 63 HE2 LYS 63 -6.960 16.567 -8.580 460 HE3 LYS 63 HE3 LYS 63 -7.438 17.703 -9.840 461 HZ1 LYS 63 HZ1 LYS 63 -9.460 18.170 -8.555 462 HZ2 LYS 63 HZ2 LYS 63 -8.053 18.555 -7.697 463 HZ3 LYS 63 HZ3 LYS 63 -8.913 17.144 -7.323 464 H ALA 64 H ALA 64 -6.409 11.016 -9.290 465 HA ALA 64 HA ALA 64 -6.880 9.888 -6.645 466 HB1 ALA 64 HB1 ALA 64 -6.024 8.133 -8.946 467 HB2 ALA 64 HB2 ALA 64 -6.365 7.637 -7.287 468 HB3 ALA 64 HB3 ALA 64 -7.673 8.205 -8.324 469 H THR 65 H THR 65 -4.938 9.256 -5.596 470 HA THR 65 HA THR 65 -2.441 9.982 -6.962 471 HB THR 65 HB THR 65 -2.241 10.675 -4.191 472 HG1 THR 65 HG1 THR 65 -4.453 11.764 -5.603 473 HG21 THR 65 HG21 THR 65 -1.200 12.558 -5.005 474 HG22 THR 65 HG22 THR 65 -2.302 12.707 -6.374 475 HG23 THR 65 HG23 THR 65 -1.039 11.477 -6.390 476 H LEU 66 H LEU 66 -0.740 8.645 -6.508 477 HA LEU 66 HA LEU 66 -1.220 6.211 -5.105 478 HB2 LEU 66 HB2 LEU 66 0.719 7.185 -6.901 479 HB3 LEU 66 HB3 LEU 66 1.592 6.791 -5.435 480 HG LEU 66 HG LEU 66 -0.179 4.890 -6.961 481 HD11 LEU 66 HD11 LEU 66 1.583 4.358 -8.200 482 HD12 LEU 66 HD12 LEU 66 2.420 5.753 -7.521 483 HD13 LEU 66 HD13 LEU 66 2.597 4.168 -6.770 484 HD21 LEU 66 HD21 LEU 66 1.751 3.923 -4.950 485 HD22 LEU 66 HD22 LEU 66 0.338 4.767 -4.317 486 HD23 LEU 66 HD23 LEU 66 0.132 3.345 -5.340 487 H ALA 67 H ALA 67 -1.429 6.168 -2.959 488 HA ALA 67 HA ALA 67 0.578 7.374 -1.269 489 HB1 ALA 67 HB1 ALA 67 -2.153 8.143 -0.463 490 HB2 ALA 67 HB2 ALA 67 -0.634 9.025 -0.314 491 HB3 ALA 67 HB3 ALA 67 -1.489 8.993 -1.856 492 H ASP 68 H ASP 68 1.075 5.644 -0.126 493 HA ASP 68 HA ASP 68 -0.705 3.517 0.459 494 HB2 ASP 68 HB2 ASP 68 2.063 4.237 1.266 495 HB3 ASP 68 HB3 ASP 68 1.218 3.018 2.209 496 H ALA 69 H ALA 69 0.552 6.225 2.327 497 HA ALA 69 HA ALA 69 -1.793 6.295 3.978 498 HB1 ALA 69 HB1 ALA 69 -0.904 4.785 5.447 499 HB2 ALA 69 HB2 ALA 69 0.760 5.177 5.014 500 HB3 ALA 69 HB3 ALA 69 -0.153 6.255 6.070 Start of MODEL 10 1 H1 MET 1 H1 MET 1 1.307 2.674 -2.871 2 H2 MET 1 H2 MET 1 2.427 2.983 -1.643 3 H3 MET 1 H3 MET 1 0.952 2.222 -1.280 4 HA MET 1 HA MET 1 3.135 1.114 -2.939 5 HB2 MET 1 HB2 MET 1 2.344 0.815 -0.100 6 HB3 MET 1 HB3 MET 1 2.750 -0.670 -0.949 7 HG2 MET 1 HG2 MET 1 4.504 1.747 -0.596 8 HG3 MET 1 HG3 MET 1 4.698 0.167 0.164 9 HE1 MET 1 HE1 MET 1 5.054 -1.833 -0.829 10 HE2 MET 1 HE2 MET 1 5.370 -2.204 -2.523 11 HE3 MET 1 HE3 MET 1 6.698 -1.735 -1.462 12 H THR 2 H THR 2 0.142 0.168 -1.201 13 HA THR 2 HA THR 2 -0.612 -1.302 -3.627 14 HB THR 2 HB THR 2 -1.743 -2.664 -1.425 15 HG1 THR 2 HG1 THR 2 -0.159 -1.949 -0.042 16 HG21 THR 2 HG21 THR 2 -1.305 -3.827 -3.427 17 HG22 THR 2 HG22 THR 2 -0.166 -4.493 -2.258 18 HG23 THR 2 HG23 THR 2 0.382 -3.316 -3.452 19 H HIS 3 H HIS 3 -1.473 1.200 -1.721 20 HA HIS 3 HA HIS 3 -4.237 0.836 -2.630 21 HB2 HIS 3 HB2 HIS 3 -5.234 1.295 -0.641 22 HB3 HIS 3 HB3 HIS 3 -3.751 0.594 -0.019 23 HD1 HIS 3 HD1 HIS 3 -5.267 4.027 -0.674 24 HD2 HIS 3 HD2 HIS 3 -2.406 2.181 1.709 25 HE1 HIS 3 HE1 HIS 3 -4.551 5.764 0.993 26 HE2 HIS 3 HE2 HIS 3 -2.983 4.558 2.557 27 H LEU 4 H LEU 4 -5.395 2.726 -3.126 28 HA LEU 4 HA LEU 4 -3.621 4.932 -3.919 29 HB2 LEU 4 HB2 LEU 4 -6.159 3.812 -5.022 30 HB3 LEU 4 HB3 LEU 4 -5.746 5.478 -5.352 31 HG LEU 4 HG LEU 4 -5.014 4.276 -7.228 32 HD11 LEU 4 HD11 LEU 4 -2.356 4.132 -6.168 33 HD12 LEU 4 HD12 LEU 4 -3.049 5.285 -7.307 34 HD13 LEU 4 HD13 LEU 4 -3.179 5.573 -5.573 35 HD21 LEU 4 HD21 LEU 4 -3.660 2.259 -7.137 36 HD22 LEU 4 HD22 LEU 4 -3.677 2.309 -5.375 37 HD23 LEU 4 HD23 LEU 4 -5.175 2.029 -6.263 38 H LYS 5 H LYS 5 -4.366 7.105 -3.609 39 HA LYS 5 HA LYS 5 -6.444 7.347 -1.531 40 HB2 LYS 5 HB2 LYS 5 -4.069 8.107 -1.004 41 HB3 LYS 5 HB3 LYS 5 -4.312 9.382 -2.189 42 HG2 LYS 5 HG2 LYS 5 -6.099 10.325 -0.893 43 HG3 LYS 5 HG3 LYS 5 -6.043 8.970 0.236 44 HD2 LYS 5 HD2 LYS 5 -4.629 10.173 1.461 45 HD3 LYS 5 HD3 LYS 5 -3.436 9.941 0.180 46 HE2 LYS 5 HE2 LYS 5 -4.460 11.978 -0.934 47 HE3 LYS 5 HE3 LYS 5 -5.319 12.251 0.582 48 HZ1 LYS 5 HZ1 LYS 5 -3.393 12.759 1.691 49 HZ2 LYS 5 HZ2 LYS 5 -3.041 13.385 0.154 50 HZ3 LYS 5 HZ3 LYS 5 -2.398 11.888 0.629 51 H ILE 6 H ILE 6 -8.299 8.307 -2.139 52 HA ILE 6 HA ILE 6 -8.410 9.376 -4.833 53 HB ILE 6 HB ILE 6 -10.117 7.745 -3.759 54 HG12 ILE 6 HG12 ILE 6 -11.935 9.410 -5.029 55 HG13 ILE 6 HG13 ILE 6 -10.383 9.884 -5.713 56 HG21 ILE 6 HG21 ILE 6 -11.153 8.526 -1.953 57 HG22 ILE 6 HG22 ILE 6 -10.669 10.188 -2.284 58 HG23 ILE 6 HG23 ILE 6 -12.094 9.513 -3.068 59 HD11 ILE 6 HD11 ILE 6 -10.674 8.196 -7.120 60 HD12 ILE 6 HD12 ILE 6 -10.262 7.146 -5.765 61 HD13 ILE 6 HD13 ILE 6 -11.953 7.483 -6.138 62 H THR 7 H THR 7 -8.984 11.456 -5.389 63 HA THR 7 HA THR 7 -8.950 13.402 -3.184 64 HB THR 7 HB THR 7 -7.591 14.489 -5.447 65 HG1 THR 7 HG1 THR 7 -6.797 11.884 -4.645 66 HG21 THR 7 HG21 THR 7 -6.116 15.198 -3.869 67 HG22 THR 7 HG22 THR 7 -6.085 13.639 -3.043 68 HG23 THR 7 HG23 THR 7 -7.436 14.744 -2.791 69 H GLY 8 H GLY 8 -9.745 12.789 -6.572 70 HA2 GLY 8 HA3 GLY 8 -10.924 15.323 -7.065 71 HA3 GLY 8 HA2 GLY 8 -11.140 13.880 -8.040 72 H MET 9 H MET 9 -12.069 12.560 -5.431 73 HA MET 9 HA MET 9 -14.495 13.737 -4.632 74 HB2 MET 9 HB2 MET 9 -14.623 12.461 -7.171 75 HB3 MET 9 HB3 MET 9 -15.472 11.432 -6.024 76 HG2 MET 9 HG2 MET 9 -16.115 14.179 -6.950 77 HG3 MET 9 HG3 MET 9 -17.173 12.789 -6.707 78 HE1 MET 9 HE1 MET 9 -16.591 16.084 -5.815 79 HE2 MET 9 HE2 MET 9 -16.759 16.300 -4.074 80 HE3 MET 9 HE3 MET 9 -15.223 15.757 -4.751 81 H THR 10 H THR 10 -15.044 12.757 -2.731 82 HA THR 10 HA THR 10 -13.278 10.515 -2.052 83 HB THR 10 HB THR 10 -14.101 11.638 0.327 84 HG1 THR 10 HG1 THR 10 -14.633 13.638 -0.072 85 HG21 THR 10 HG21 THR 10 -11.884 11.734 0.614 86 HG22 THR 10 HG22 THR 10 -11.693 12.878 -0.715 87 HG23 THR 10 HG23 THR 10 -11.739 11.145 -1.042 88 H CYS 11 H CYS 11 -16.523 11.779 -1.341 89 HA CYS 11 HA CYS 11 -17.234 9.913 0.599 90 HB2 CYS 11 HB2 CYS 11 -19.627 10.673 -0.316 91 HB3 CYS 11 HB3 CYS 11 -18.603 11.714 0.668 92 H ASP 12 H ASP 12 -19.835 9.753 -1.445 93 HA ASP 12 HA ASP 12 -19.334 6.876 -1.764 94 HB2 ASP 12 HB2 ASP 12 -21.260 7.725 -0.319 95 HB3 ASP 12 HB3 ASP 12 -22.022 8.261 -1.810 96 H SER 13 H SER 13 -20.675 5.909 -3.628 97 HA SER 13 HA SER 13 -21.035 5.649 -5.849 98 HB2 SER 13 HB2 SER 13 -20.855 8.600 -6.373 99 HB3 SER 13 HB3 SER 13 -21.883 7.390 -7.140 100 HG SER 13 HG SER 13 -22.302 8.887 -4.871 101 H CYS 14 H CYS 14 -18.763 8.372 -5.446 102 HA CYS 14 HA CYS 14 -17.077 7.658 -7.579 103 HB2 CYS 14 HB2 CYS 14 -15.770 8.934 -5.279 104 HB3 CYS 14 HB3 CYS 14 -15.899 9.480 -6.948 105 H ALA 15 H ALA 15 -16.706 7.082 -4.072 106 HA ALA 15 HA ALA 15 -14.538 5.241 -4.435 107 HB1 ALA 15 HB1 ALA 15 -16.204 6.054 -2.071 108 HB2 ALA 15 HB2 ALA 15 -15.016 4.755 -1.966 109 HB3 ALA 15 HB3 ALA 15 -14.503 6.389 -2.391 110 H ALA 16 H ALA 16 -16.445 4.384 -6.080 111 HA ALA 16 HA ALA 16 -16.941 1.708 -5.208 112 HB1 ALA 16 HB1 ALA 16 -19.234 3.632 -5.472 113 HB2 ALA 16 HB2 ALA 16 -19.447 1.899 -5.725 114 HB3 ALA 16 HB3 ALA 16 -18.887 2.501 -4.163 115 H HIS 17 H HIS 17 -18.013 4.194 -7.534 116 HA HIS 17 HA HIS 17 -18.095 2.523 -9.794 117 HB2 HIS 17 HB2 HIS 17 -18.783 5.076 -9.367 118 HB3 HIS 17 HB3 HIS 17 -17.223 5.339 -10.132 119 HD1 HIS 17 HD1 HIS 17 -20.424 5.658 -11.153 120 HD2 HIS 17 HD2 HIS 17 -17.374 3.191 -12.551 121 HE1 HIS 17 HE1 HIS 17 -21.039 5.084 -13.523 122 HE2 HIS 17 HE2 HIS 17 -19.117 3.713 -14.395 123 H VAL 18 H VAL 18 -15.523 4.306 -8.254 124 HA VAL 18 HA VAL 18 -13.497 3.801 -10.171 125 HB VAL 18 HB VAL 18 -13.423 4.514 -7.241 126 HG11 VAL 18 HG11 VAL 18 -11.353 3.201 -8.561 127 HG12 VAL 18 HG12 VAL 18 -10.897 4.905 -8.587 128 HG13 VAL 18 HG13 VAL 18 -11.244 4.108 -7.052 129 HG21 VAL 18 HG21 VAL 18 -14.043 6.097 -9.258 130 HG22 VAL 18 HG22 VAL 18 -13.063 6.670 -7.908 131 HG23 VAL 18 HG23 VAL 18 -12.289 6.191 -9.419 132 H LYS 19 H LYS 19 -14.634 2.113 -7.297 133 HA LYS 19 HA LYS 19 -12.708 0.059 -7.251 134 HB2 LYS 19 HB2 LYS 19 -14.031 0.331 -5.316 135 HB3 LYS 19 HB3 LYS 19 -15.531 0.292 -6.222 136 HG2 LYS 19 HG2 LYS 19 -14.495 -2.161 -6.762 137 HG3 LYS 19 HG3 LYS 19 -13.935 -1.890 -5.112 138 HD2 LYS 19 HD2 LYS 19 -16.019 -2.929 -4.858 139 HD3 LYS 19 HD3 LYS 19 -16.353 -1.216 -4.601 140 HE2 LYS 19 HE2 LYS 19 -17.904 -1.335 -6.191 141 HE3 LYS 19 HE3 LYS 19 -16.618 -1.645 -7.358 142 HZ1 LYS 19 HZ1 LYS 19 -17.154 -3.796 -7.502 143 HZ2 LYS 19 HZ2 LYS 19 -18.648 -3.319 -6.841 144 HZ3 LYS 19 HZ3 LYS 19 -17.440 -3.959 -5.836 145 H GLU 20 H GLU 20 -15.829 0.385 -8.890 146 HA GLU 20 HA GLU 20 -15.883 -2.205 -10.029 147 HB2 GLU 20 HB2 GLU 20 -17.190 0.404 -10.751 148 HB3 GLU 20 HB3 GLU 20 -17.398 -1.022 -11.756 149 HG2 GLU 20 HG2 GLU 20 -18.580 -2.162 -10.122 150 HG3 GLU 20 HG3 GLU 20 -17.963 -1.133 -8.828 151 H ALA 21 H ALA 21 -14.707 0.909 -11.232 152 HA ALA 21 HA ALA 21 -13.826 0.076 -13.753 153 HB1 ALA 21 HB1 ALA 21 -12.615 2.088 -13.856 154 HB2 ALA 21 HB2 ALA 21 -14.005 2.445 -12.831 155 HB3 ALA 21 HB3 ALA 21 -12.424 2.161 -12.104 156 H LEU 22 H LEU 22 -12.167 0.156 -10.632 157 HA LEU 22 HA LEU 22 -9.712 -0.886 -11.548 158 HB2 LEU 22 HB2 LEU 22 -10.973 -0.266 -9.004 159 HB3 LEU 22 HB3 LEU 22 -9.980 -1.708 -8.906 160 HG LEU 22 HG LEU 22 -8.116 -0.488 -8.806 161 HD11 LEU 22 HD11 LEU 22 -8.722 1.508 -10.893 162 HD12 LEU 22 HD12 LEU 22 -7.265 0.552 -10.622 163 HD13 LEU 22 HD13 LEU 22 -8.661 -0.174 -11.415 164 HD21 LEU 22 HD21 LEU 22 -8.462 2.069 -8.629 165 HD22 LEU 22 HD22 LEU 22 -10.179 1.672 -8.678 166 HD23 LEU 22 HD23 LEU 22 -9.157 1.017 -7.395 167 H GLU 23 H GLU 23 -12.601 -2.426 -10.202 168 HA GLU 23 HA GLU 23 -11.642 -5.059 -10.130 169 HB2 GLU 23 HB2 GLU 23 -14.330 -3.783 -10.193 170 HB3 GLU 23 HB3 GLU 23 -14.239 -5.503 -10.546 171 HG2 GLU 23 HG2 GLU 23 -13.265 -5.959 -8.416 172 HG3 GLU 23 HG3 GLU 23 -13.085 -4.242 -8.072 173 H LYS 24 H LYS 24 -12.815 -3.108 -12.759 174 HA LYS 24 HA LYS 24 -13.192 -5.271 -14.594 175 HB2 LYS 24 HB2 LYS 24 -14.182 -3.669 -15.801 176 HB3 LYS 24 HB3 LYS 24 -13.765 -2.528 -14.537 177 HG2 LYS 24 HG2 LYS 24 -11.511 -2.329 -15.802 178 HG3 LYS 24 HG3 LYS 24 -12.406 -3.035 -17.147 179 HD2 LYS 24 HD2 LYS 24 -13.438 -1.106 -17.574 180 HD3 LYS 24 HD3 LYS 24 -13.900 -0.905 -15.884 181 HE2 LYS 24 HE2 LYS 24 -11.746 0.065 -15.372 182 HE3 LYS 24 HE3 LYS 24 -11.186 -0.239 -17.016 183 HZ1 LYS 24 HZ1 LYS 24 -13.516 1.493 -16.403 184 HZ2 LYS 24 HZ2 LYS 24 -12.676 1.358 -17.872 185 HZ3 LYS 24 HZ3 LYS 24 -11.930 2.088 -16.534 186 H VAL 25 H VAL 25 -10.449 -3.633 -13.404 187 HA VAL 25 HA VAL 25 -8.773 -4.191 -15.709 188 HB VAL 25 HB VAL 25 -7.933 -3.170 -12.985 189 HG11 VAL 25 HG11 VAL 25 -6.494 -2.668 -15.558 190 HG12 VAL 25 HG12 VAL 25 -5.879 -2.630 -13.904 191 HG13 VAL 25 HG13 VAL 25 -6.243 -4.174 -14.676 192 HG21 VAL 25 HG21 VAL 25 -7.829 -1.056 -14.768 193 HG22 VAL 25 HG22 VAL 25 -9.360 -1.852 -15.136 194 HG23 VAL 25 HG23 VAL 25 -9.025 -1.299 -13.495 195 HA PRO 26 HA PRO 26 -7.813 -8.321 -14.317 196 HB2 PRO 26 HB2 PRO 26 -5.451 -7.997 -16.071 197 HB3 PRO 26 HB3 PRO 26 -6.724 -9.221 -16.116 198 HG2 PRO 26 HG2 PRO 26 -6.606 -7.282 -17.951 199 HG3 PRO 26 HG3 PRO 26 -8.159 -7.875 -17.332 200 HD2 PRO 26 HD2 PRO 26 -6.671 -5.371 -16.638 201 HD3 PRO 26 HD3 PRO 26 -8.413 -5.617 -16.877 202 H GLY 27 H GLY 27 -6.477 -9.262 -12.855 203 HA2 GLY 27 HA3 GLY 27 -4.580 -9.478 -11.486 204 HA3 GLY 27 HA2 GLY 27 -4.011 -7.907 -12.032 205 H VAL 28 H VAL 28 -7.122 -7.352 -11.438 206 HA VAL 28 HA VAL 28 -6.649 -6.557 -8.674 207 HB VAL 28 HB VAL 28 -8.856 -5.878 -10.613 208 HG11 VAL 28 HG11 VAL 28 -9.703 -4.340 -8.861 209 HG12 VAL 28 HG12 VAL 28 -9.872 -6.042 -8.430 210 HG13 VAL 28 HG13 VAL 28 -8.580 -5.075 -7.716 211 HG21 VAL 28 HG21 VAL 28 -7.892 -3.806 -10.829 212 HG22 VAL 28 HG22 VAL 28 -7.097 -3.893 -9.256 213 HG23 VAL 28 HG23 VAL 28 -6.461 -4.816 -10.619 214 H GLN 29 H GLN 29 -6.891 -8.296 -7.395 215 HA GLN 29 HA GLN 29 -8.857 -10.313 -7.908 216 HB2 GLN 29 HB2 GLN 29 -6.508 -10.220 -6.480 217 HB3 GLN 29 HB3 GLN 29 -7.725 -10.255 -5.211 218 HG2 GLN 29 HG2 GLN 29 -8.713 -12.221 -6.601 219 HG3 GLN 29 HG3 GLN 29 -7.091 -12.293 -7.290 220 HE21 GLN 29 HE21 GLN 29 -6.121 -13.962 -6.394 221 HE22 GLN 29 HE22 GLN 29 -6.043 -14.299 -4.693 222 H SER 30 H SER 30 -8.473 -7.726 -5.514 223 HA SER 30 HA SER 30 -11.348 -7.571 -5.251 224 HB2 SER 30 HB2 SER 30 -10.388 -7.559 -2.564 225 HB3 SER 30 HB3 SER 30 -11.561 -8.647 -3.298 226 HG SER 30 HG SER 30 -9.212 -9.287 -2.390 227 H ALA 31 H ALA 31 -12.030 -5.679 -4.013 228 HA ALA 31 HA ALA 31 -9.903 -3.664 -3.697 229 HB1 ALA 31 HB1 ALA 31 -11.338 -3.414 -5.794 230 HB2 ALA 31 HB2 ALA 31 -12.646 -2.965 -4.699 231 HB3 ALA 31 HB3 ALA 31 -11.167 -2.000 -4.754 232 H LEU 32 H LEU 32 -10.186 -2.157 -2.061 233 HA LEU 32 HA LEU 32 -12.471 -2.577 -0.260 234 HB2 LEU 32 HB2 LEU 32 -9.906 -3.428 0.304 235 HB3 LEU 32 HB3 LEU 32 -9.974 -1.857 1.080 236 HG LEU 32 HG LEU 32 -12.163 -3.837 1.569 237 HD11 LEU 32 HD11 LEU 32 -10.292 -4.014 3.668 238 HD12 LEU 32 HD12 LEU 32 -10.814 -5.285 2.563 239 HD13 LEU 32 HD13 LEU 32 -9.413 -4.291 2.167 240 HD21 LEU 32 HD21 LEU 32 -10.956 -1.512 3.039 241 HD22 LEU 32 HD22 LEU 32 -12.613 -1.712 2.468 242 HD23 LEU 32 HD23 LEU 32 -12.027 -2.672 3.827 243 H VAL 33 H VAL 33 -13.389 -0.699 -1.134 244 HA VAL 33 HA VAL 33 -11.874 1.785 -0.831 245 HB VAL 33 HB VAL 33 -14.097 2.712 -1.908 246 HG11 VAL 33 HG11 VAL 33 -13.106 2.378 -4.132 247 HG12 VAL 33 HG12 VAL 33 -11.906 2.857 -2.930 248 HG13 VAL 33 HG13 VAL 33 -12.012 1.175 -3.449 249 HG21 VAL 33 HG21 VAL 33 -15.436 0.752 -1.887 250 HG22 VAL 33 HG22 VAL 33 -14.972 1.030 -3.565 251 HG23 VAL 33 HG23 VAL 33 -14.155 -0.214 -2.617 252 H SER 34 H SER 34 -12.272 3.211 0.722 253 HA SER 34 HA SER 34 -14.665 2.801 2.391 254 HB2 SER 34 HB2 SER 34 -12.836 4.332 3.864 255 HB3 SER 34 HB3 SER 34 -13.235 2.634 4.113 256 HG SER 34 HG SER 34 -11.569 2.231 2.438 257 H TYR 35 H TYR 35 -16.132 4.256 1.800 258 HA TYR 35 HA TYR 35 -15.536 6.651 0.458 259 HB2 TYR 35 HB2 TYR 35 -18.139 6.816 1.669 260 HB3 TYR 35 HB3 TYR 35 -17.700 6.638 -0.017 261 HD1 TYR 35 HD1 TYR 35 -17.306 4.301 -0.926 262 HD2 TYR 35 HD2 TYR 35 -19.116 5.023 2.859 263 HE1 TYR 35 HE1 TYR 35 -18.208 2.014 -0.929 264 HE2 TYR 35 HE2 TYR 35 -20.028 2.736 2.864 265 HH TYR 35 HH TYR 35 -20.006 0.748 1.858 266 HA PRO 36 HA PRO 36 -16.429 9.000 4.585 267 HB2 PRO 36 HB2 PRO 36 -16.239 7.647 6.915 268 HB3 PRO 36 HB3 PRO 36 -17.752 7.778 6.010 269 HG2 PRO 36 HG2 PRO 36 -15.775 5.530 6.073 270 HG3 PRO 36 HG3 PRO 36 -17.546 5.463 6.167 271 HD2 PRO 36 HD2 PRO 36 -16.199 4.968 3.877 272 HD3 PRO 36 HD3 PRO 36 -17.801 5.733 3.887 273 H LYS 37 H LYS 37 -13.928 7.392 3.495 274 HA LYS 37 HA LYS 37 -12.055 8.704 5.333 275 HB2 LYS 37 HB2 LYS 37 -11.636 5.958 4.152 276 HB3 LYS 37 HB3 LYS 37 -10.502 6.826 5.172 277 HG2 LYS 37 HG2 LYS 37 -12.708 6.792 6.751 278 HG3 LYS 37 HG3 LYS 37 -12.874 5.264 5.886 279 HD2 LYS 37 HD2 LYS 37 -10.199 5.932 6.981 280 HD3 LYS 37 HD3 LYS 37 -11.461 5.486 8.132 281 HE2 LYS 37 HE2 LYS 37 -11.305 3.745 5.786 282 HE3 LYS 37 HE3 LYS 37 -9.853 3.733 6.785 283 HZ1 LYS 37 HZ1 LYS 37 -10.898 2.634 8.410 284 HZ2 LYS 37 HZ2 LYS 37 -12.054 2.244 7.235 285 HZ3 LYS 37 HZ3 LYS 37 -12.317 3.557 8.283 286 H GLY 38 H GLY 38 -12.685 7.338 2.151 287 HA2 GLY 38 HA3 GLY 38 -12.105 8.335 0.106 288 HA3 GLY 38 HA2 GLY 38 -10.969 9.376 0.956 289 H THR 39 H THR 39 -10.946 6.012 1.689 290 HA THR 39 HA THR 39 -8.294 5.839 0.464 291 HB THR 39 HB THR 39 -8.760 3.509 1.960 292 HG1 THR 39 HG1 THR 39 -10.297 4.194 3.272 293 HG21 THR 39 HG21 THR 39 -6.889 5.595 1.766 294 HG22 THR 39 HG22 THR 39 -6.716 4.072 2.635 295 HG23 THR 39 HG23 THR 39 -7.335 5.495 3.471 296 H ALA 40 H ALA 40 -7.897 4.603 -1.241 297 HA ALA 40 HA ALA 40 -9.947 2.657 -2.046 298 HB1 ALA 40 HB1 ALA 40 -9.106 2.907 -4.325 299 HB2 ALA 40 HB2 ALA 40 -9.609 4.462 -3.664 300 HB3 ALA 40 HB3 ALA 40 -7.895 4.059 -3.759 301 H GLN 41 H GLN 41 -8.986 1.157 -0.528 302 HA GLN 41 HA GLN 41 -6.308 0.214 -1.020 303 HB2 GLN 41 HB2 GLN 41 -8.559 -0.795 0.719 304 HB3 GLN 41 HB3 GLN 41 -7.015 -1.627 0.582 305 HG2 GLN 41 HG2 GLN 41 -6.112 -0.287 2.084 306 HG3 GLN 41 HG3 GLN 41 -6.551 1.134 1.135 307 HE21 GLN 41 HE21 GLN 41 -6.869 -0.274 4.058 308 HE22 GLN 41 HE22 GLN 41 -8.339 0.470 4.596 309 H LEU 42 H LEU 42 -5.804 -1.926 -1.802 310 HA LEU 42 HA LEU 42 -7.868 -3.231 -3.361 311 HB2 LEU 42 HB2 LEU 42 -5.687 -1.584 -4.549 312 HB3 LEU 42 HB3 LEU 42 -6.171 -3.053 -5.375 313 HG LEU 42 HG LEU 42 -8.491 -1.495 -4.674 314 HD11 LEU 42 HD11 LEU 42 -6.477 0.216 -4.996 315 HD12 LEU 42 HD12 LEU 42 -6.879 -0.051 -6.692 316 HD13 LEU 42 HD13 LEU 42 -8.108 0.548 -5.577 317 HD21 LEU 42 HD21 LEU 42 -8.277 -1.540 -7.407 318 HD22 LEU 42 HD22 LEU 42 -7.348 -2.959 -6.922 319 HD23 LEU 42 HD23 LEU 42 -9.027 -2.790 -6.414 320 H ALA 43 H ALA 43 -7.462 -5.303 -3.796 321 HA ALA 43 HA ALA 43 -4.876 -6.404 -2.960 322 HB1 ALA 43 HB1 ALA 43 -5.936 -8.470 -2.621 323 HB2 ALA 43 HB2 ALA 43 -7.079 -7.280 -1.997 324 HB3 ALA 43 HB3 ALA 43 -7.340 -8.009 -3.583 325 H ILE 44 H ILE 44 -3.890 -5.621 -4.871 326 HA ILE 44 HA ILE 44 -4.747 -6.777 -7.407 327 HB ILE 44 HB ILE 44 -2.722 -5.407 -8.266 328 HG12 ILE 44 HG12 ILE 44 -3.159 -3.713 -5.841 329 HG13 ILE 44 HG13 ILE 44 -2.058 -5.081 -5.720 330 HG21 ILE 44 HG21 ILE 44 -4.087 -3.497 -8.592 331 HG22 ILE 44 HG22 ILE 44 -5.181 -4.881 -8.513 332 HG23 ILE 44 HG23 ILE 44 -5.004 -3.815 -7.119 333 HD11 ILE 44 HD11 ILE 44 -1.602 -2.495 -6.821 334 HD12 ILE 44 HD12 ILE 44 -0.466 -3.821 -6.576 335 HD13 ILE 44 HD13 ILE 44 -1.381 -3.710 -8.078 336 H VAL 45 H VAL 45 -2.319 -6.979 -8.707 337 HA VAL 45 HA VAL 45 -0.507 -8.703 -7.278 338 HB VAL 45 HB VAL 45 -1.371 -10.138 -9.649 339 HG11 VAL 45 HG11 VAL 45 -0.148 -11.528 -8.374 340 HG12 VAL 45 HG12 VAL 45 -0.561 -10.682 -6.883 341 HG13 VAL 45 HG13 VAL 45 -1.679 -11.861 -7.566 342 HG21 VAL 45 HG21 VAL 45 -3.572 -9.112 -8.519 343 HG22 VAL 45 HG22 VAL 45 -3.526 -10.700 -9.290 344 HG23 VAL 45 HG23 VAL 45 -3.385 -10.566 -7.538 345 HA PRO 46 HA PRO 46 2.547 -7.121 -10.095 346 HB2 PRO 46 HB2 PRO 46 3.413 -9.719 -10.962 347 HB3 PRO 46 HB3 PRO 46 4.203 -8.627 -9.824 348 HG2 PRO 46 HG2 PRO 46 2.453 -10.942 -9.303 349 HG3 PRO 46 HG3 PRO 46 3.687 -10.207 -8.267 350 HD2 PRO 46 HD2 PRO 46 1.070 -9.942 -7.741 351 HD3 PRO 46 HD3 PRO 46 2.214 -8.617 -7.435 352 H GLY 47 H GLY 47 2.031 -6.274 -11.954 353 HA2 GLY 47 HA3 GLY 47 1.799 -6.908 -14.412 354 HA3 GLY 47 HA2 GLY 47 0.410 -7.835 -13.853 355 H THR 48 H THR 48 -0.646 -6.140 -11.979 356 HA THR 48 HA THR 48 -1.702 -3.978 -13.579 357 HB THR 48 HB THR 48 -2.345 -4.162 -10.684 358 HG1 THR 48 HG1 THR 48 -3.697 -5.971 -12.336 359 HG21 THR 48 HG21 THR 48 -3.701 -2.622 -11.716 360 HG22 THR 48 HG22 THR 48 -4.698 -4.068 -11.873 361 HG23 THR 48 HG23 THR 48 -3.734 -3.510 -13.240 362 H SER 49 H SER 49 -0.157 -2.528 -13.914 363 HA SER 49 HA SER 49 1.747 -1.736 -12.042 364 HB2 SER 49 HB2 SER 49 1.180 0.300 -14.025 365 HB3 SER 49 HB3 SER 49 2.613 -0.715 -13.845 366 HG SER 49 HG SER 49 1.154 -0.912 -15.828 367 HA PRO 50 HA PRO 50 -0.521 1.035 -9.416 368 HB2 PRO 50 HB2 PRO 50 2.018 2.561 -9.269 369 HB3 PRO 50 HB3 PRO 50 1.041 1.884 -7.960 370 HG2 PRO 50 HG2 PRO 50 3.351 0.751 -8.681 371 HG3 PRO 50 HG3 PRO 50 1.958 -0.233 -8.195 372 HD2 PRO 50 HD2 PRO 50 3.031 0.318 -10.930 373 HD3 PRO 50 HD3 PRO 50 2.343 -1.178 -10.267 374 H ASP 51 H ASP 51 1.607 2.317 -11.912 375 HA ASP 51 HA ASP 51 0.379 4.868 -12.090 376 HB2 ASP 51 HB2 ASP 51 2.361 4.926 -13.230 377 HB3 ASP 51 HB3 ASP 51 2.244 3.243 -13.726 378 H ALA 52 H ALA 52 -0.472 1.710 -13.216 379 HA ALA 52 HA ALA 52 -2.255 2.635 -15.292 380 HB1 ALA 52 HB1 ALA 52 -2.817 -0.059 -14.519 381 HB2 ALA 52 HB2 ALA 52 -2.087 0.540 -16.007 382 HB3 ALA 52 HB3 ALA 52 -1.072 0.170 -14.613 383 H LEU 53 H LEU 53 -2.459 1.682 -11.954 384 HA LEU 53 HA LEU 53 -5.298 1.477 -11.814 385 HB2 LEU 53 HB2 LEU 53 -3.091 1.699 -9.807 386 HB3 LEU 53 HB3 LEU 53 -4.754 1.854 -9.290 387 HG LEU 53 HG LEU 53 -4.546 -0.519 -10.862 388 HD11 LEU 53 HD11 LEU 53 -2.210 -0.635 -10.463 389 HD12 LEU 53 HD12 LEU 53 -2.412 -0.197 -8.766 390 HD13 LEU 53 HD13 LEU 53 -2.982 -1.761 -9.347 391 HD21 LEU 53 HD21 LEU 53 -5.027 -1.501 -8.515 392 HD22 LEU 53 HD22 LEU 53 -5.142 0.188 -8.018 393 HD23 LEU 53 HD23 LEU 53 -6.219 -0.441 -9.266 394 H THR 54 H THR 54 -2.960 3.886 -10.721 395 HA THR 54 HA THR 54 -4.706 5.888 -9.919 396 HB THR 54 HB THR 54 -2.072 6.457 -11.271 397 HG1 THR 54 HG1 THR 54 -1.424 4.915 -9.889 398 HG21 THR 54 HG21 THR 54 -2.717 8.508 -10.573 399 HG22 THR 54 HG22 THR 54 -2.177 7.940 -8.994 400 HG23 THR 54 HG23 THR 54 -3.887 7.858 -9.422 401 H ALA 55 H ALA 55 -3.281 5.241 -13.105 402 HA ALA 55 HA ALA 55 -4.462 7.450 -14.427 403 HB1 ALA 55 HB1 ALA 55 -2.835 6.730 -15.786 404 HB2 ALA 55 HB2 ALA 55 -2.959 5.064 -15.219 405 HB3 ALA 55 HB3 ALA 55 -4.085 5.668 -16.434 406 H ALA 56 H ALA 56 -5.549 4.155 -13.816 407 HA ALA 56 HA ALA 56 -7.794 4.206 -15.534 408 HB1 ALA 56 HB1 ALA 56 -8.659 2.404 -13.934 409 HB2 ALA 56 HB2 ALA 56 -7.156 2.079 -14.797 410 HB3 ALA 56 HB3 ALA 56 -7.111 2.580 -13.108 411 H VAL 57 H VAL 57 -7.285 5.241 -12.219 412 HA VAL 57 HA VAL 57 -10.024 5.924 -11.750 413 HB VAL 57 HB VAL 57 -7.586 6.947 -10.285 414 HG11 VAL 57 HG11 VAL 57 -10.020 7.982 -10.104 415 HG12 VAL 57 HG12 VAL 57 -10.245 6.619 -9.005 416 HG13 VAL 57 HG13 VAL 57 -8.975 7.804 -8.694 417 HG21 VAL 57 HG21 VAL 57 -7.316 4.895 -9.477 418 HG22 VAL 57 HG22 VAL 57 -8.924 5.003 -8.760 419 HG23 VAL 57 HG23 VAL 57 -8.721 4.317 -10.372 420 H ALA 58 H ALA 58 -7.102 7.669 -12.742 421 HA ALA 58 HA ALA 58 -8.281 10.246 -12.822 422 HB1 ALA 58 HB1 ALA 58 -6.167 9.609 -14.793 423 HB2 ALA 58 HB2 ALA 58 -6.294 10.954 -13.660 424 HB3 ALA 58 HB3 ALA 58 -5.767 9.370 -13.092 425 H GLY 59 H GLY 59 -7.936 7.680 -15.225 426 HA2 GLY 59 HA3 GLY 59 -9.197 9.124 -17.345 427 HA3 GLY 59 HA2 GLY 59 -8.837 7.405 -17.318 428 H LEU 60 H LEU 60 -10.381 7.416 -14.624 429 HA LEU 60 HA LEU 60 -12.973 6.841 -15.715 430 HB2 LEU 60 HB2 LEU 60 -11.594 6.242 -13.354 431 HB3 LEU 60 HB3 LEU 60 -12.984 7.181 -12.869 432 HG LEU 60 HG LEU 60 -13.111 4.586 -13.015 433 HD11 LEU 60 HD11 LEU 60 -14.972 6.666 -13.032 434 HD12 LEU 60 HD12 LEU 60 -15.542 5.502 -14.229 435 HD13 LEU 60 HD13 LEU 60 -15.241 4.985 -12.570 436 HD21 LEU 60 HD21 LEU 60 -13.682 5.420 -15.854 437 HD22 LEU 60 HD22 LEU 60 -12.387 4.355 -15.307 438 HD23 LEU 60 HD23 LEU 60 -14.069 3.843 -15.169 439 H GLY 61 H GLY 61 -11.499 9.692 -15.178 440 HA2 GLY 61 HA3 GLY 61 -12.518 11.788 -15.471 441 HA3 GLY 61 HA2 GLY 61 -14.060 11.084 -14.998 442 H TYR 62 H TYR 62 -11.795 10.010 -12.874 443 HA TYR 62 HA TYR 62 -12.486 12.125 -10.950 444 HB2 TYR 62 HB2 TYR 62 -11.844 9.196 -10.541 445 HB3 TYR 62 HB3 TYR 62 -11.983 10.352 -9.220 446 HD1 TYR 62 HD2 TYR 62 -14.237 11.699 -9.148 447 HD2 TYR 62 HD1 TYR 62 -13.721 8.005 -11.194 448 HE1 TYR 62 HE2 TYR 62 -16.667 11.322 -9.071 449 HE2 TYR 62 HE1 TYR 62 -16.147 7.618 -11.123 450 HH TYR 62 HH TYR 62 -18.146 8.535 -10.701 451 H LYS 63 H LYS 63 -10.600 11.505 -8.998 452 HA LYS 63 HA LYS 63 -8.002 11.598 -10.302 453 HB2 LYS 63 HB2 LYS 63 -8.722 13.952 -10.146 454 HB3 LYS 63 HB3 LYS 63 -8.943 13.766 -8.412 455 HG2 LYS 63 HG2 LYS 63 -6.846 14.892 -8.918 456 HG3 LYS 63 HG3 LYS 63 -6.557 13.332 -8.143 457 HD2 LYS 63 HD2 LYS 63 -6.305 12.396 -10.500 458 HD3 LYS 63 HD3 LYS 63 -6.214 14.074 -11.038 459 HE2 LYS 63 HE2 LYS 63 -4.403 12.811 -8.981 460 HE3 LYS 63 HE3 LYS 63 -3.992 13.048 -10.679 461 HZ1 LYS 63 HZ1 LYS 63 -3.154 14.978 -9.960 462 HZ2 LYS 63 HZ2 LYS 63 -4.030 14.948 -8.507 463 HZ3 LYS 63 HZ3 LYS 63 -4.763 15.516 -9.927 464 H ALA 64 H ALA 64 -6.617 10.388 -9.248 465 HA ALA 64 HA ALA 64 -6.821 10.142 -6.332 466 HB1 ALA 64 HB1 ALA 64 -7.052 7.900 -6.308 467 HB2 ALA 64 HB2 ALA 64 -7.688 8.121 -7.937 468 HB3 ALA 64 HB3 ALA 64 -5.999 7.675 -7.705 469 H THR 65 H THR 65 -4.792 9.216 -5.409 470 HA THR 65 HA THR 65 -2.432 9.685 -7.095 471 HB THR 65 HB THR 65 -2.103 10.527 -4.313 472 HG1 THR 65 HG1 THR 65 -4.238 11.424 -5.692 473 HG21 THR 65 HG21 THR 65 -1.090 11.160 -6.972 474 HG22 THR 65 HG22 THR 65 -0.307 11.316 -5.400 475 HG23 THR 65 HG23 THR 65 -1.368 12.596 -5.988 476 H LEU 66 H LEU 66 -0.705 8.332 -6.680 477 HA LEU 66 HA LEU 66 -1.224 5.993 -5.109 478 HB2 LEU 66 HB2 LEU 66 0.059 5.911 -7.219 479 HB3 LEU 66 HB3 LEU 66 1.325 6.868 -6.480 480 HG LEU 66 HG LEU 66 1.553 4.980 -4.776 481 HD11 LEU 66 HD11 LEU 66 0.114 3.400 -6.896 482 HD12 LEU 66 HD12 LEU 66 0.722 2.829 -5.341 483 HD13 LEU 66 HD13 LEU 66 -0.644 3.942 -5.396 484 HD21 LEU 66 HD21 LEU 66 2.812 5.480 -7.123 485 HD22 LEU 66 HD22 LEU 66 3.286 4.216 -5.988 486 HD23 LEU 66 HD23 LEU 66 2.274 3.820 -7.377 487 H ALA 67 H ALA 67 -1.248 6.227 -2.986 488 HA ALA 67 HA ALA 67 1.127 7.052 -1.586 489 HB1 ALA 67 HB1 ALA 67 -0.254 9.159 -2.060 490 HB2 ALA 67 HB2 ALA 67 -1.412 8.507 -0.902 491 HB3 ALA 67 HB3 ALA 67 0.237 8.867 -0.392 492 H ASP 68 H ASP 68 1.333 5.349 -0.319 493 HA ASP 68 HA ASP 68 -0.933 3.849 0.619 494 HB2 ASP 68 HB2 ASP 68 1.722 3.255 0.183 495 HB3 ASP 68 HB3 ASP 68 1.587 3.256 1.941 496 H ALA 69 H ALA 69 -0.146 3.066 3.129 497 HA ALA 69 HA ALA 69 -0.286 3.534 5.334 498 HB1 ALA 69 HB1 ALA 69 1.297 4.943 5.973 499 HB2 ALA 69 HB2 ALA 69 1.402 5.565 4.327 500 HB3 ALA 69 HB3 ALA 69 0.302 6.316 5.486 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -1.377 -4.370 1.256 2 H2 MET 1 H2 MET 1 -2.832 -4.279 0.396 3 H3 MET 1 H3 MET 1 -2.040 -2.858 0.877 4 HA MET 1 HA MET 1 -0.100 -4.000 -0.500 5 HB2 MET 1 HB2 MET 1 -2.060 -5.724 -1.077 6 HB3 MET 1 HB3 MET 1 -2.394 -4.528 -2.320 7 HG2 MET 1 HG2 MET 1 0.414 -5.392 -2.028 8 HG3 MET 1 HG3 MET 1 -0.724 -6.574 -2.673 9 HE1 MET 1 HE1 MET 1 0.956 -6.569 -4.803 10 HE2 MET 1 HE2 MET 1 1.251 -5.149 -5.805 11 HE3 MET 1 HE3 MET 1 1.910 -5.228 -4.168 12 H THR 2 H THR 2 -2.712 -3.127 -2.618 13 HA THR 2 HA THR 2 -1.254 -0.754 -3.363 14 HB THR 2 HB THR 2 -3.845 -1.101 -4.645 15 HG1 THR 2 HG1 THR 2 -1.966 -3.256 -4.764 16 HG21 THR 2 HG21 THR 2 -1.004 -1.228 -5.671 17 HG22 THR 2 HG22 THR 2 -2.005 0.222 -5.580 18 HG23 THR 2 HG23 THR 2 -2.453 -1.094 -6.667 19 H HIS 3 H HIS 3 -1.486 0.836 -1.869 20 HA HIS 3 HA HIS 3 -4.218 1.653 -1.163 21 HB2 HIS 3 HB2 HIS 3 -1.763 1.519 0.332 22 HB3 HIS 3 HB3 HIS 3 -2.332 3.183 0.293 23 HD1 HIS 3 HD1 HIS 3 -2.324 0.983 2.727 24 HD2 HIS 3 HD2 HIS 3 -5.579 2.461 0.585 25 HE1 HIS 3 HE1 HIS 3 -4.323 0.672 4.223 26 HE2 HIS 3 HE2 HIS 3 -6.286 1.564 2.918 27 H LEU 4 H LEU 4 -5.038 3.306 -2.279 28 HA LEU 4 HA LEU 4 -3.237 5.512 -2.977 29 HB2 LEU 4 HB2 LEU 4 -4.566 5.786 -5.126 30 HB3 LEU 4 HB3 LEU 4 -3.408 4.473 -5.068 31 HG LEU 4 HG LEU 4 -6.138 3.708 -4.289 32 HD11 LEU 4 HD11 LEU 4 -6.385 3.601 -7.001 33 HD12 LEU 4 HD12 LEU 4 -7.141 4.811 -5.963 34 HD13 LEU 4 HD13 LEU 4 -5.612 5.169 -6.767 35 HD21 LEU 4 HD21 LEU 4 -4.579 2.472 -6.495 36 HD22 LEU 4 HD22 LEU 4 -3.942 2.340 -4.855 37 HD23 LEU 4 HD23 LEU 4 -5.549 1.715 -5.232 38 H LYS 5 H LYS 5 -4.216 7.558 -3.084 39 HA LYS 5 HA LYS 5 -6.624 7.733 -1.433 40 HB2 LYS 5 HB2 LYS 5 -4.411 9.023 -1.020 41 HB3 LYS 5 HB3 LYS 5 -4.949 10.064 -2.330 42 HG2 LYS 5 HG2 LYS 5 -7.068 9.687 -0.429 43 HG3 LYS 5 HG3 LYS 5 -5.603 10.251 0.378 44 HD2 LYS 5 HD2 LYS 5 -6.634 11.556 -2.124 45 HD3 LYS 5 HD3 LYS 5 -7.220 12.020 -0.525 46 HE2 LYS 5 HE2 LYS 5 -4.314 11.875 -0.692 47 HE3 LYS 5 HE3 LYS 5 -5.014 13.053 -1.800 48 HZ1 LYS 5 HZ1 LYS 5 -4.480 13.495 0.807 49 HZ2 LYS 5 HZ2 LYS 5 -6.139 13.143 0.848 50 HZ3 LYS 5 HZ3 LYS 5 -5.564 14.402 -0.132 51 H ILE 6 H ILE 6 -8.508 8.601 -2.120 52 HA ILE 6 HA ILE 6 -8.747 9.141 -4.990 53 HB ILE 6 HB ILE 6 -10.952 8.822 -2.941 54 HG12 ILE 6 HG12 ILE 6 -9.626 6.765 -3.123 55 HG13 ILE 6 HG13 ILE 6 -11.228 6.547 -3.816 56 HG21 ILE 6 HG21 ILE 6 -10.914 9.516 -5.761 57 HG22 ILE 6 HG22 ILE 6 -11.945 8.128 -5.412 58 HG23 ILE 6 HG23 ILE 6 -12.211 9.657 -4.574 59 HD11 ILE 6 HD11 ILE 6 -8.674 7.006 -5.341 60 HD12 ILE 6 HD12 ILE 6 -9.551 5.483 -5.192 61 HD13 ILE 6 HD13 ILE 6 -10.276 6.838 -6.059 62 H THR 7 H THR 7 -9.546 11.084 -5.790 63 HA THR 7 HA THR 7 -10.013 13.248 -3.894 64 HB THR 7 HB THR 7 -8.436 14.426 -5.875 65 HG1 THR 7 HG1 THR 7 -7.808 11.894 -5.868 66 HG21 THR 7 HG21 THR 7 -8.011 13.680 -3.003 67 HG22 THR 7 HG22 THR 7 -8.275 15.272 -3.712 68 HG23 THR 7 HG23 THR 7 -6.722 14.461 -3.918 69 H GLY 8 H GLY 8 -11.496 14.670 -4.597 70 HA2 GLY 8 HA3 GLY 8 -12.425 15.949 -6.451 71 HA3 GLY 8 HA2 GLY 8 -12.287 14.507 -7.439 72 H MET 9 H MET 9 -13.284 12.593 -5.853 73 HA MET 9 HA MET 9 -15.838 13.351 -4.754 74 HB2 MET 9 HB2 MET 9 -15.787 12.857 -7.475 75 HB3 MET 9 HB3 MET 9 -16.227 11.291 -6.807 76 HG2 MET 9 HG2 MET 9 -18.310 12.053 -6.830 77 HG3 MET 9 HG3 MET 9 -17.845 12.999 -5.416 78 HE1 MET 9 HE1 MET 9 -17.715 12.711 -9.079 79 HE2 MET 9 HE2 MET 9 -19.155 13.694 -9.342 80 HE3 MET 9 HE3 MET 9 -17.560 14.349 -9.712 81 H THR 10 H THR 10 -15.427 12.307 -2.877 82 HA THR 10 HA THR 10 -14.061 9.720 -3.000 83 HB THR 10 HB THR 10 -14.464 10.761 -0.329 84 HG1 THR 10 HG1 THR 10 -12.982 12.445 -2.087 85 HG21 THR 10 HG21 THR 10 -11.923 10.472 -1.922 86 HG22 THR 10 HG22 THR 10 -12.740 9.117 -1.143 87 HG23 THR 10 HG23 THR 10 -12.105 10.444 -0.169 88 H CYS 11 H CYS 11 -17.197 10.939 -2.430 89 HA CYS 11 HA CYS 11 -18.206 9.282 -0.445 90 HB2 CYS 11 HB2 CYS 11 -20.110 9.741 -2.589 91 HB3 CYS 11 HB3 CYS 11 -20.150 10.280 -0.918 92 H ASP 12 H ASP 12 -19.748 7.528 -0.617 93 HA ASP 12 HA ASP 12 -18.441 5.239 -1.321 94 HB2 ASP 12 HB2 ASP 12 -20.164 5.127 0.289 95 HB3 ASP 12 HB3 ASP 12 -21.362 5.751 -0.836 96 H SER 13 H SER 13 -21.088 6.719 -3.203 97 HA SER 13 HA SER 13 -21.384 4.718 -5.101 98 HB2 SER 13 HB2 SER 13 -21.730 7.351 -6.269 99 HB3 SER 13 HB3 SER 13 -22.945 6.132 -5.872 100 HG SER 13 HG SER 13 -23.230 7.003 -3.912 101 H CYS 14 H CYS 14 -19.314 7.601 -5.262 102 HA CYS 14 HA CYS 14 -18.166 6.877 -7.768 103 HB2 CYS 14 HB2 CYS 14 -16.806 8.752 -5.885 104 HB3 CYS 14 HB3 CYS 14 -17.035 8.881 -7.629 105 H ALA 15 H ALA 15 -17.185 6.606 -4.381 106 HA ALA 15 HA ALA 15 -14.692 5.305 -4.959 107 HB1 ALA 15 HB1 ALA 15 -14.556 4.942 -2.562 108 HB2 ALA 15 HB2 ALA 15 -15.042 6.603 -2.907 109 HB3 ALA 15 HB3 ALA 15 -16.243 5.425 -2.375 110 H ALA 16 H ALA 16 -16.659 4.064 -6.365 111 HA ALA 16 HA ALA 16 -16.443 1.335 -5.522 112 HB1 ALA 16 HB1 ALA 16 -19.112 1.254 -5.914 113 HB2 ALA 16 HB2 ALA 16 -18.363 1.375 -4.321 114 HB3 ALA 16 HB3 ALA 16 -18.962 2.826 -5.126 115 H HIS 17 H HIS 17 -17.864 3.753 -7.685 116 HA HIS 17 HA HIS 17 -17.964 2.096 -9.970 117 HB2 HIS 17 HB2 HIS 17 -18.553 4.756 -9.447 118 HB3 HIS 17 HB3 HIS 17 -17.180 4.847 -10.545 119 HD1 HIS 17 HD1 HIS 17 -20.084 5.713 -11.343 120 HD2 HIS 17 HD2 HIS 17 -18.335 2.036 -12.187 121 HE1 HIS 17 HE1 HIS 17 -21.370 4.778 -13.292 122 HE2 HIS 17 HE2 HIS 17 -20.462 2.444 -13.598 123 H VAL 18 H VAL 18 -15.425 3.925 -8.421 124 HA VAL 18 HA VAL 18 -13.353 3.471 -10.268 125 HB VAL 18 HB VAL 18 -13.294 3.822 -7.262 126 HG11 VAL 18 HG11 VAL 18 -11.268 2.650 -8.603 127 HG12 VAL 18 HG12 VAL 18 -10.832 4.350 -8.792 128 HG13 VAL 18 HG13 VAL 18 -11.049 3.667 -7.180 129 HG21 VAL 18 HG21 VAL 18 -14.037 5.811 -8.266 130 HG22 VAL 18 HG22 VAL 18 -12.319 6.066 -7.966 131 HG23 VAL 18 HG23 VAL 18 -12.883 5.675 -9.591 132 H LYS 19 H LYS 19 -14.551 1.598 -7.524 133 HA LYS 19 HA LYS 19 -12.727 -0.537 -7.698 134 HB2 LYS 19 HB2 LYS 19 -14.022 -0.296 -5.701 135 HB3 LYS 19 HB3 LYS 19 -15.532 -0.353 -6.586 136 HG2 LYS 19 HG2 LYS 19 -14.931 -2.706 -7.201 137 HG3 LYS 19 HG3 LYS 19 -13.613 -2.593 -6.043 138 HD2 LYS 19 HD2 LYS 19 -15.238 -3.484 -4.695 139 HD3 LYS 19 HD3 LYS 19 -15.557 -1.766 -4.454 140 HE2 LYS 19 HE2 LYS 19 -17.671 -2.379 -4.953 141 HE3 LYS 19 HE3 LYS 19 -17.090 -2.208 -6.610 142 HZ1 LYS 19 HZ1 LYS 19 -18.321 -4.337 -5.983 143 HZ2 LYS 19 HZ2 LYS 19 -16.898 -4.790 -5.182 144 HZ3 LYS 19 HZ3 LYS 19 -16.869 -4.496 -6.853 145 H GLU 20 H GLU 20 -15.856 0.069 -9.217 146 HA GLU 20 HA GLU 20 -16.179 -2.372 -10.552 147 HB2 GLU 20 HB2 GLU 20 -17.536 0.040 -10.426 148 HB3 GLU 20 HB3 GLU 20 -17.025 -0.044 -12.104 149 HG2 GLU 20 HG2 GLU 20 -18.187 -2.068 -12.455 150 HG3 GLU 20 HG3 GLU 20 -18.468 -2.289 -10.728 151 H ALA 21 H ALA 21 -14.630 0.643 -11.631 152 HA ALA 21 HA ALA 21 -13.769 -0.272 -14.135 153 HB1 ALA 21 HB1 ALA 21 -12.083 1.559 -13.978 154 HB2 ALA 21 HB2 ALA 21 -13.738 2.072 -13.646 155 HB3 ALA 21 HB3 ALA 21 -12.604 1.827 -12.317 156 H LEU 22 H LEU 22 -12.183 -0.362 -10.965 157 HA LEU 22 HA LEU 22 -9.787 -1.563 -11.866 158 HB2 LEU 22 HB2 LEU 22 -11.020 -0.912 -9.314 159 HB3 LEU 22 HB3 LEU 22 -10.129 -2.422 -9.252 160 HG LEU 22 HG LEU 22 -8.564 -0.820 -8.600 161 HD11 LEU 22 HD11 LEU 22 -6.969 -1.528 -9.972 162 HD12 LEU 22 HD12 LEU 22 -8.223 -2.136 -11.053 163 HD13 LEU 22 HD13 LEU 22 -7.579 -0.509 -11.277 164 HD21 LEU 22 HD21 LEU 22 -8.344 1.346 -9.404 165 HD22 LEU 22 HD22 LEU 22 -9.125 0.962 -10.939 166 HD23 LEU 22 HD23 LEU 22 -10.087 1.078 -9.466 167 H GLU 23 H GLU 23 -12.875 -2.874 -10.817 168 HA GLU 23 HA GLU 23 -12.083 -5.603 -10.814 169 HB2 GLU 23 HB2 GLU 23 -14.643 -4.103 -10.732 170 HB3 GLU 23 HB3 GLU 23 -14.724 -5.774 -11.270 171 HG2 GLU 23 HG2 GLU 23 -13.451 -6.361 -9.157 172 HG3 GLU 23 HG3 GLU 23 -13.792 -4.714 -8.625 173 H LYS 24 H LYS 24 -12.983 -3.351 -13.270 174 HA LYS 24 HA LYS 24 -13.490 -5.263 -15.328 175 HB2 LYS 24 HB2 LYS 24 -13.978 -2.648 -15.169 176 HB3 LYS 24 HB3 LYS 24 -12.421 -2.554 -15.980 177 HG2 LYS 24 HG2 LYS 24 -14.277 -4.482 -17.165 178 HG3 LYS 24 HG3 LYS 24 -14.824 -2.805 -17.226 179 HD2 LYS 24 HD2 LYS 24 -13.220 -2.205 -18.701 180 HD3 LYS 24 HD3 LYS 24 -12.002 -3.233 -17.942 181 HE2 LYS 24 HE2 LYS 24 -14.227 -4.199 -19.733 182 HE3 LYS 24 HE3 LYS 24 -12.557 -3.946 -20.233 183 HZ1 LYS 24 HZ1 LYS 24 -12.955 -6.262 -19.750 184 HZ2 LYS 24 HZ2 LYS 24 -13.490 -5.886 -18.187 185 HZ3 LYS 24 HZ3 LYS 24 -11.871 -5.625 -18.613 186 H VAL 25 H VAL 25 -10.669 -4.055 -13.804 187 HA VAL 25 HA VAL 25 -8.861 -4.845 -15.929 188 HB VAL 25 HB VAL 25 -8.241 -4.114 -13.053 189 HG11 VAL 25 HG11 VAL 25 -6.400 -5.315 -13.928 190 HG12 VAL 25 HG12 VAL 25 -6.490 -4.469 -15.473 191 HG13 VAL 25 HG13 VAL 25 -5.970 -3.607 -14.025 192 HG21 VAL 25 HG21 VAL 25 -8.550 -2.457 -15.522 193 HG22 VAL 25 HG22 VAL 25 -9.156 -2.165 -13.892 194 HG23 VAL 25 HG23 VAL 25 -7.441 -1.954 -14.245 195 HA PRO 26 HA PRO 26 -9.092 -9.037 -14.469 196 HB2 PRO 26 HB2 PRO 26 -7.585 -10.189 -16.374 197 HB3 PRO 26 HB3 PRO 26 -9.192 -9.538 -16.728 198 HG2 PRO 26 HG2 PRO 26 -6.501 -8.341 -17.245 199 HG3 PRO 26 HG3 PRO 26 -7.938 -8.349 -18.282 200 HD2 PRO 26 HD2 PRO 26 -7.162 -6.227 -16.707 201 HD3 PRO 26 HD3 PRO 26 -8.827 -6.511 -17.254 202 H GLY 27 H GLY 27 -7.270 -7.377 -13.088 203 HA2 GLY 27 HA3 GLY 27 -5.318 -9.454 -12.376 204 HA3 GLY 27 HA2 GLY 27 -4.744 -7.807 -12.634 205 H VAL 28 H VAL 28 -7.886 -8.278 -11.411 206 HA VAL 28 HA VAL 28 -7.103 -6.929 -8.951 207 HB VAL 28 HB VAL 28 -9.080 -6.362 -10.697 208 HG11 VAL 28 HG11 VAL 28 -11.118 -7.014 -8.972 209 HG12 VAL 28 HG12 VAL 28 -10.776 -7.790 -10.518 210 HG13 VAL 28 HG13 VAL 28 -10.151 -8.487 -9.022 211 HG21 VAL 28 HG21 VAL 28 -9.941 -5.664 -8.017 212 HG22 VAL 28 HG22 VAL 28 -8.207 -5.430 -8.240 213 HG23 VAL 28 HG23 VAL 28 -9.351 -4.633 -9.321 214 H GLN 29 H GLN 29 -7.920 -7.598 -6.910 215 HA GLN 29 HA GLN 29 -9.058 -10.302 -6.769 216 HB2 GLN 29 HB2 GLN 29 -6.757 -9.211 -5.141 217 HB3 GLN 29 HB3 GLN 29 -7.693 -10.614 -4.646 218 HG2 GLN 29 HG2 GLN 29 -7.056 -11.428 -7.087 219 HG3 GLN 29 HG3 GLN 29 -5.708 -10.323 -6.825 220 HE21 GLN 29 HE21 GLN 29 -7.493 -12.675 -4.855 221 HE22 GLN 29 HE22 GLN 29 -6.087 -13.489 -4.256 222 H SER 30 H SER 30 -8.395 -7.254 -5.113 223 HA SER 30 HA SER 30 -11.130 -7.137 -4.168 224 HB2 SER 30 HB2 SER 30 -8.758 -7.358 -2.313 225 HB3 SER 30 HB3 SER 30 -10.239 -6.542 -1.811 226 HG SER 30 HG SER 30 -9.902 -9.256 -2.589 227 H ALA 31 H ALA 31 -11.697 -4.980 -3.429 228 HA ALA 31 HA ALA 31 -9.734 -2.874 -3.766 229 HB1 ALA 31 HB1 ALA 31 -10.238 -2.422 -5.888 230 HB2 ALA 31 HB2 ALA 31 -11.561 -3.588 -5.885 231 HB3 ALA 31 HB3 ALA 31 -11.843 -1.935 -5.338 232 H LEU 32 H LEU 32 -10.224 -2.547 -1.546 233 HA LEU 32 HA LEU 32 -12.970 -1.859 -0.853 234 HB2 LEU 32 HB2 LEU 32 -11.334 -3.340 0.524 235 HB3 LEU 32 HB3 LEU 32 -10.653 -1.811 1.051 236 HG LEU 32 HG LEU 32 -13.356 -1.458 1.476 237 HD11 LEU 32 HD11 LEU 32 -12.817 -4.107 2.704 238 HD12 LEU 32 HD12 LEU 32 -14.349 -3.351 2.268 239 HD13 LEU 32 HD13 LEU 32 -13.329 -4.062 1.017 240 HD21 LEU 32 HD21 LEU 32 -12.630 -2.037 3.906 241 HD22 LEU 32 HD22 LEU 32 -11.024 -2.184 3.193 242 HD23 LEU 32 HD23 LEU 32 -11.903 -0.660 3.079 243 H VAL 33 H VAL 33 -12.899 0.091 -2.194 244 HA VAL 33 HA VAL 33 -11.313 2.312 -1.264 245 HB VAL 33 HB VAL 33 -13.718 2.649 -2.991 246 HG11 VAL 33 HG11 VAL 33 -11.913 4.415 -2.078 247 HG12 VAL 33 HG12 VAL 33 -11.149 3.947 -3.597 248 HG13 VAL 33 HG13 VAL 33 -12.784 4.608 -3.600 249 HG21 VAL 33 HG21 VAL 33 -11.833 0.735 -3.601 250 HG22 VAL 33 HG22 VAL 33 -12.915 1.528 -4.747 251 HG23 VAL 33 HG23 VAL 33 -11.285 2.151 -4.497 252 H SER 34 H SER 34 -11.770 3.248 0.632 253 HA SER 34 HA SER 34 -14.545 3.173 1.584 254 HB2 SER 34 HB2 SER 34 -12.810 4.101 3.621 255 HB3 SER 34 HB3 SER 34 -13.624 2.544 3.517 256 HG SER 34 HG SER 34 -11.807 1.864 2.186 257 H TYR 35 H TYR 35 -15.725 4.920 1.512 258 HA TYR 35 HA TYR 35 -14.705 7.466 0.812 259 HB2 TYR 35 HB2 TYR 35 -16.814 7.746 0.182 260 HB3 TYR 35 HB3 TYR 35 -17.260 6.242 0.955 261 HD1 TYR 35 HD1 TYR 35 -16.883 9.884 1.562 262 HD2 TYR 35 HD2 TYR 35 -18.702 6.252 2.824 263 HE1 TYR 35 HE1 TYR 35 -18.291 11.141 3.138 264 HE2 TYR 35 HE2 TYR 35 -20.119 7.498 4.396 265 HH TYR 35 HH TYR 35 -19.537 10.757 5.212 266 HA PRO 36 HA PRO 36 -15.550 8.653 5.456 267 HB2 PRO 36 HB2 PRO 36 -15.049 6.148 6.907 268 HB3 PRO 36 HB3 PRO 36 -16.372 7.303 7.086 269 HG2 PRO 36 HG2 PRO 36 -16.759 4.877 6.008 270 HG3 PRO 36 HG3 PRO 36 -17.644 6.305 5.439 271 HD2 PRO 36 HD2 PRO 36 -15.254 4.952 4.235 272 HD3 PRO 36 HD3 PRO 36 -16.716 5.569 3.438 273 H LYS 37 H LYS 37 -13.131 7.206 3.879 274 HA LYS 37 HA LYS 37 -11.141 8.224 5.771 275 HB2 LYS 37 HB2 LYS 37 -11.501 5.540 5.477 276 HB3 LYS 37 HB3 LYS 37 -10.302 5.847 4.230 277 HG2 LYS 37 HG2 LYS 37 -9.245 5.193 6.316 278 HG3 LYS 37 HG3 LYS 37 -8.822 6.852 5.890 279 HD2 LYS 37 HD2 LYS 37 -9.610 7.579 7.839 280 HD3 LYS 37 HD3 LYS 37 -11.191 6.881 7.483 281 HE2 LYS 37 HE2 LYS 37 -9.726 4.678 8.180 282 HE3 LYS 37 HE3 LYS 37 -9.060 5.920 9.241 283 HZ1 LYS 37 HZ1 LYS 37 -11.824 4.903 9.091 284 HZ2 LYS 37 HZ2 LYS 37 -11.518 6.451 9.714 285 HZ3 LYS 37 HZ3 LYS 37 -10.827 5.090 10.451 286 H GLY 38 H GLY 38 -12.056 7.380 2.495 287 HA2 GLY 38 HA3 GLY 38 -11.530 8.553 0.552 288 HA3 GLY 38 HA2 GLY 38 -10.346 9.485 1.461 289 H THR 39 H THR 39 -10.317 6.066 1.781 290 HA THR 39 HA THR 39 -7.790 6.021 0.269 291 HB THR 39 HB THR 39 -7.186 4.121 1.873 292 HG1 THR 39 HG1 THR 39 -9.446 4.022 2.681 293 HG21 THR 39 HG21 THR 39 -7.065 6.979 2.199 294 HG22 THR 39 HG22 THR 39 -5.870 5.754 2.624 295 HG23 THR 39 HG23 THR 39 -7.138 6.183 3.771 296 H ALA 40 H ALA 40 -7.709 4.666 -1.389 297 HA ALA 40 HA ALA 40 -9.693 2.550 -1.637 298 HB1 ALA 40 HB1 ALA 40 -7.837 3.945 -3.451 299 HB2 ALA 40 HB2 ALA 40 -8.090 2.234 -3.793 300 HB3 ALA 40 HB3 ALA 40 -9.467 3.336 -3.743 301 H GLN 41 H GLN 41 -9.227 0.890 -0.307 302 HA GLN 41 HA GLN 41 -6.504 -0.095 -0.067 303 HB2 GLN 41 HB2 GLN 41 -8.404 -0.077 1.769 304 HB3 GLN 41 HB3 GLN 41 -8.876 -1.585 0.998 305 HG2 GLN 41 HG2 GLN 41 -6.048 -1.570 1.462 306 HG3 GLN 41 HG3 GLN 41 -6.908 -1.186 2.951 307 HE21 GLN 41 HE21 GLN 41 -8.191 -3.222 0.394 308 HE22 GLN 41 HE22 GLN 41 -8.160 -4.700 1.301 309 H LEU 42 H LEU 42 -6.138 -0.653 -2.239 310 HA LEU 42 HA LEU 42 -7.877 -2.673 -3.410 311 HB2 LEU 42 HB2 LEU 42 -6.156 -0.581 -4.420 312 HB3 LEU 42 HB3 LEU 42 -5.806 -2.117 -5.192 313 HG LEU 42 HG LEU 42 -8.663 -1.577 -5.038 314 HD11 LEU 42 HD11 LEU 42 -8.808 0.475 -5.864 315 HD12 LEU 42 HD12 LEU 42 -7.081 0.662 -5.569 316 HD13 LEU 42 HD13 LEU 42 -7.650 0.101 -7.140 317 HD21 LEU 42 HD21 LEU 42 -8.320 -1.990 -7.552 318 HD22 LEU 42 HD22 LEU 42 -6.658 -2.385 -7.113 319 HD23 LEU 42 HD23 LEU 42 -7.996 -3.314 -6.435 320 H ALA 43 H ALA 43 -7.157 -4.616 -4.174 321 HA ALA 43 HA ALA 43 -4.467 -5.462 -3.368 322 HB1 ALA 43 HB1 ALA 43 -7.028 -6.529 -2.462 323 HB2 ALA 43 HB2 ALA 43 -5.959 -7.758 -3.140 324 HB3 ALA 43 HB3 ALA 43 -5.410 -6.754 -1.797 325 H ILE 44 H ILE 44 -4.075 -4.935 -5.621 326 HA ILE 44 HA ILE 44 -5.191 -6.788 -7.569 327 HB ILE 44 HB ILE 44 -3.510 -5.583 -9.123 328 HG12 ILE 44 HG12 ILE 44 -3.540 -3.103 -7.798 329 HG13 ILE 44 HG13 ILE 44 -2.984 -4.269 -6.601 330 HG21 ILE 44 HG21 ILE 44 -5.980 -5.280 -9.080 331 HG22 ILE 44 HG22 ILE 44 -5.751 -3.945 -7.950 332 HG23 ILE 44 HG23 ILE 44 -5.090 -3.844 -9.581 333 HD11 ILE 44 HD11 ILE 44 -1.575 -4.893 -8.915 334 HD12 ILE 44 HD12 ILE 44 -1.595 -3.131 -8.845 335 HD13 ILE 44 HD13 ILE 44 -0.968 -4.059 -7.484 336 H VAL 45 H VAL 45 -3.641 -7.917 -9.047 337 HA VAL 45 HA VAL 45 -1.872 -9.515 -7.488 338 HB VAL 45 HB VAL 45 -3.266 -10.083 -9.663 339 HG11 VAL 45 HG11 VAL 45 -0.565 -9.502 -10.862 340 HG12 VAL 45 HG12 VAL 45 -1.976 -10.173 -11.682 341 HG13 VAL 45 HG13 VAL 45 -2.002 -8.508 -11.099 342 HG21 VAL 45 HG21 VAL 45 -1.201 -11.317 -8.218 343 HG22 VAL 45 HG22 VAL 45 -2.427 -12.084 -9.226 344 HG23 VAL 45 HG23 VAL 45 -0.873 -11.625 -9.923 345 HA PRO 46 HA PRO 46 1.930 -7.200 -7.818 346 HB2 PRO 46 HB2 PRO 46 3.153 -9.909 -7.810 347 HB3 PRO 46 HB3 PRO 46 3.470 -8.527 -6.755 348 HG2 PRO 46 HG2 PRO 46 2.086 -10.613 -5.864 349 HG3 PRO 46 HG3 PRO 46 1.626 -8.960 -5.413 350 HD2 PRO 46 HD2 PRO 46 0.391 -10.789 -7.433 351 HD3 PRO 46 HD3 PRO 46 -0.392 -9.680 -6.287 352 H GLY 47 H GLY 47 1.964 -6.397 -9.843 353 HA2 GLY 47 HA3 GLY 47 3.635 -7.083 -11.819 354 HA3 GLY 47 HA2 GLY 47 2.245 -8.110 -12.161 355 H THR 48 H THR 48 0.364 -6.188 -11.084 356 HA THR 48 HA THR 48 0.131 -4.391 -13.325 357 HB THR 48 HB THR 48 -1.659 -3.927 -11.043 358 HG1 THR 48 HG1 THR 48 -1.565 -6.101 -10.659 359 HG21 THR 48 HG21 THR 48 -2.861 -3.183 -12.773 360 HG22 THR 48 HG22 THR 48 -3.033 -4.847 -13.334 361 HG23 THR 48 HG23 THR 48 -1.693 -3.856 -13.910 362 H SER 49 H SER 49 0.869 -2.385 -13.416 363 HA SER 49 HA SER 49 2.438 -1.398 -11.253 364 HB2 SER 49 HB2 SER 49 1.752 0.289 -13.627 365 HB3 SER 49 HB3 SER 49 3.288 0.124 -12.776 366 HG SER 49 HG SER 49 3.806 -1.478 -14.035 367 HA PRO 50 HA PRO 50 -0.624 0.853 -9.030 368 HB2 PRO 50 HB2 PRO 50 1.571 2.769 -8.453 369 HB3 PRO 50 HB3 PRO 50 0.539 1.880 -7.328 370 HG2 PRO 50 HG2 PRO 50 3.080 1.166 -7.701 371 HG3 PRO 50 HG3 PRO 50 1.815 -0.062 -7.496 372 HD2 PRO 50 HD2 PRO 50 3.179 0.861 -9.999 373 HD3 PRO 50 HD3 PRO 50 2.699 -0.779 -9.515 374 H ASP 51 H ASP 51 1.513 2.547 -11.239 375 HA ASP 51 HA ASP 51 0.050 4.967 -11.337 376 HB2 ASP 51 HB2 ASP 51 1.257 5.281 -13.555 377 HB3 ASP 51 HB3 ASP 51 2.283 5.045 -12.146 378 H ALA 52 H ALA 52 -0.485 1.852 -12.686 379 HA ALA 52 HA ALA 52 -2.111 2.737 -14.896 380 HB1 ALA 52 HB1 ALA 52 -2.509 0.473 -15.355 381 HB2 ALA 52 HB2 ALA 52 -0.867 0.506 -14.711 382 HB3 ALA 52 HB3 ALA 52 -2.207 -0.010 -13.686 383 H LEU 53 H LEU 53 -2.571 1.841 -11.575 384 HA LEU 53 HA LEU 53 -5.419 1.629 -11.666 385 HB2 LEU 53 HB2 LEU 53 -3.402 1.871 -9.460 386 HB3 LEU 53 HB3 LEU 53 -5.115 1.950 -9.114 387 HG LEU 53 HG LEU 53 -5.116 -0.334 -10.483 388 HD11 LEU 53 HD11 LEU 53 -3.164 -1.380 -10.719 389 HD12 LEU 53 HD12 LEU 53 -2.411 0.182 -10.403 390 HD13 LEU 53 HD13 LEU 53 -2.650 -0.963 -9.084 391 HD21 LEU 53 HD21 LEU 53 -4.417 0.106 -7.592 392 HD22 LEU 53 HD22 LEU 53 -6.002 -0.211 -8.296 393 HD23 LEU 53 HD23 LEU 53 -4.783 -1.486 -8.259 394 H THR 54 H THR 54 -3.100 4.064 -10.613 395 HA THR 54 HA THR 54 -4.929 6.071 -9.894 396 HB THR 54 HB THR 54 -2.220 6.636 -11.076 397 HG1 THR 54 HG1 THR 54 -2.821 5.078 -8.900 398 HG21 THR 54 HG21 THR 54 -2.190 8.393 -9.360 399 HG22 THR 54 HG22 THR 54 -3.790 7.885 -8.819 400 HG23 THR 54 HG23 THR 54 -3.579 8.560 -10.435 401 H ALA 55 H ALA 55 -3.347 5.277 -12.954 402 HA ALA 55 HA ALA 55 -4.361 7.436 -14.464 403 HB1 ALA 55 HB1 ALA 55 -3.637 4.708 -15.516 404 HB2 ALA 55 HB2 ALA 55 -3.660 6.231 -16.404 405 HB3 ALA 55 HB3 ALA 55 -2.457 5.965 -15.141 406 H ALA 56 H ALA 56 -5.572 4.189 -13.790 407 HA ALA 56 HA ALA 56 -7.794 4.256 -15.506 408 HB1 ALA 56 HB1 ALA 56 -7.115 2.169 -14.536 409 HB2 ALA 56 HB2 ALA 56 -7.385 2.782 -12.904 410 HB3 ALA 56 HB3 ALA 56 -8.753 2.523 -13.986 411 H VAL 57 H VAL 57 -7.392 5.314 -12.159 412 HA VAL 57 HA VAL 57 -10.105 6.104 -11.812 413 HB VAL 57 HB VAL 57 -7.690 7.079 -10.274 414 HG11 VAL 57 HG11 VAL 57 -10.033 6.902 -8.689 415 HG12 VAL 57 HG12 VAL 57 -9.122 8.344 -9.139 416 HG13 VAL 57 HG13 VAL 57 -10.447 7.781 -10.160 417 HG21 VAL 57 HG21 VAL 57 -8.660 5.307 -8.608 418 HG22 VAL 57 HG22 VAL 57 -9.313 4.583 -10.078 419 HG23 VAL 57 HG23 VAL 57 -7.573 4.811 -9.906 420 H ALA 58 H ALA 58 -7.102 7.827 -12.617 421 HA ALA 58 HA ALA 58 -8.204 10.416 -12.731 422 HB1 ALA 58 HB1 ALA 58 -5.758 9.753 -12.742 423 HB2 ALA 58 HB2 ALA 58 -5.950 9.455 -14.470 424 HB3 ALA 58 HB3 ALA 58 -6.220 11.072 -13.819 425 H GLY 59 H GLY 59 -7.783 7.940 -15.221 426 HA2 GLY 59 HA3 GLY 59 -8.910 9.503 -17.330 427 HA3 GLY 59 HA2 GLY 59 -8.577 7.780 -17.372 428 H LEU 60 H LEU 60 -10.250 7.613 -14.783 429 HA LEU 60 HA LEU 60 -12.746 7.035 -16.038 430 HB2 LEU 60 HB2 LEU 60 -11.509 6.463 -13.580 431 HB3 LEU 60 HB3 LEU 60 -12.978 7.338 -13.203 432 HG LEU 60 HG LEU 60 -14.259 5.686 -14.554 433 HD11 LEU 60 HD11 LEU 60 -12.904 4.646 -16.050 434 HD12 LEU 60 HD12 LEU 60 -11.523 4.622 -14.952 435 HD13 LEU 60 HD13 LEU 60 -12.835 3.461 -14.746 436 HD21 LEU 60 HD21 LEU 60 -12.915 3.966 -12.615 437 HD22 LEU 60 HD22 LEU 60 -13.384 5.541 -11.972 438 HD23 LEU 60 HD23 LEU 60 -14.599 4.487 -12.699 439 H GLY 61 H GLY 61 -11.371 9.828 -14.596 440 HA2 GLY 61 HA3 GLY 61 -12.565 11.911 -15.277 441 HA3 GLY 61 HA2 GLY 61 -14.014 11.148 -14.635 442 H TYR 62 H TYR 62 -12.082 10.003 -12.520 443 HA TYR 62 HA TYR 62 -12.335 12.289 -10.714 444 HB2 TYR 62 HB2 TYR 62 -11.656 9.434 -9.983 445 HB3 TYR 62 HB3 TYR 62 -12.203 10.716 -8.906 446 HD1 TYR 62 HD2 TYR 62 -14.569 11.736 -9.545 447 HD2 TYR 62 HD1 TYR 62 -13.199 7.875 -10.698 448 HE1 TYR 62 HE2 TYR 62 -16.899 11.007 -9.856 449 HE2 TYR 62 HE1 TYR 62 -15.522 7.139 -11.009 450 HH TYR 62 HH TYR 62 -17.651 7.714 -11.000 451 H LYS 63 H LYS 63 -10.482 12.012 -8.887 452 HA LYS 63 HA LYS 63 -7.919 11.846 -10.329 453 HB2 LYS 63 HB2 LYS 63 -8.878 14.151 -9.398 454 HB3 LYS 63 HB3 LYS 63 -8.183 13.552 -7.898 455 HG2 LYS 63 HG2 LYS 63 -6.375 14.656 -8.667 456 HG3 LYS 63 HG3 LYS 63 -6.104 13.132 -9.516 457 HD2 LYS 63 HD2 LYS 63 -5.849 14.735 -11.184 458 HD3 LYS 63 HD3 LYS 63 -7.513 14.186 -11.399 459 HE2 LYS 63 HE2 LYS 63 -7.378 16.357 -9.509 460 HE3 LYS 63 HE3 LYS 63 -6.617 16.808 -11.035 461 HZ1 LYS 63 HZ1 LYS 63 -9.277 15.523 -10.990 462 HZ2 LYS 63 HZ2 LYS 63 -8.571 16.473 -12.206 463 HZ3 LYS 63 HZ3 LYS 63 -9.115 17.196 -10.772 464 H ALA 64 H ALA 64 -6.258 10.779 -9.318 465 HA ALA 64 HA ALA 64 -6.758 9.809 -6.593 466 HB1 ALA 64 HB1 ALA 64 -6.773 7.640 -7.125 467 HB2 ALA 64 HB2 ALA 64 -7.057 8.165 -8.784 468 HB3 ALA 64 HB3 ALA 64 -5.417 7.815 -8.238 469 H THR 65 H THR 65 -4.835 9.151 -5.468 470 HA THR 65 HA THR 65 -2.287 9.900 -6.705 471 HB THR 65 HB THR 65 -2.104 10.763 -4.025 472 HG1 THR 65 HG1 THR 65 -4.587 11.264 -5.165 473 HG21 THR 65 HG21 THR 65 -2.368 13.028 -5.654 474 HG22 THR 65 HG22 THR 65 -1.700 11.770 -6.694 475 HG23 THR 65 HG23 THR 65 -0.876 12.209 -5.198 476 H LEU 66 H LEU 66 -0.745 8.421 -6.262 477 HA LEU 66 HA LEU 66 -1.412 6.097 -4.778 478 HB2 LEU 66 HB2 LEU 66 0.464 6.717 -6.682 479 HB3 LEU 66 HB3 LEU 66 1.449 6.572 -5.241 480 HG LEU 66 HG LEU 66 1.029 4.500 -6.791 481 HD11 LEU 66 HD11 LEU 66 1.029 4.541 -3.792 482 HD12 LEU 66 HD12 LEU 66 1.100 3.037 -4.709 483 HD13 LEU 66 HD13 LEU 66 2.373 4.245 -4.894 484 HD21 LEU 66 HD21 LEU 66 -1.535 4.915 -6.388 485 HD22 LEU 66 HD22 LEU 66 -0.886 3.279 -6.497 486 HD23 LEU 66 HD23 LEU 66 -1.230 3.986 -4.919 487 H ALA 67 H ALA 67 -1.238 5.700 -2.695 488 HA ALA 67 HA ALA 67 0.732 7.095 -1.062 489 HB1 ALA 67 HB1 ALA 67 -0.794 8.538 -0.281 490 HB2 ALA 67 HB2 ALA 67 -2.132 7.639 -0.997 491 HB3 ALA 67 HB3 ALA 67 -1.488 7.161 0.575 492 H ASP 68 H ASP 68 1.471 4.827 -1.405 493 HA ASP 68 HA ASP 68 -0.076 2.662 -0.411 494 HB2 ASP 68 HB2 ASP 68 1.730 1.262 -0.988 495 HB3 ASP 68 HB3 ASP 68 1.743 2.545 -2.190 496 H ALA 69 H ALA 69 -0.107 1.676 1.479 497 HA ALA 69 HA ALA 69 1.821 1.855 3.522 498 HB1 ALA 69 HB1 ALA 69 1.296 3.834 4.435 499 HB2 ALA 69 HB2 ALA 69 -0.143 4.000 3.431 500 HB3 ALA 69 HB3 ALA 69 -0.221 3.089 4.938 Start of MODEL 12 1 H1 MET 1 H1 MET 1 1.538 2.805 -0.229 2 H2 MET 1 H2 MET 1 2.430 3.849 -1.228 3 H3 MET 1 H3 MET 1 3.116 3.256 0.207 4 HA MET 1 HA MET 1 3.943 2.153 -1.812 5 HB2 MET 1 HB2 MET 1 3.141 1.068 0.656 6 HB3 MET 1 HB3 MET 1 2.628 -0.098 -0.554 7 HG2 MET 1 HG2 MET 1 4.935 -0.387 0.471 8 HG3 MET 1 HG3 MET 1 4.802 -0.483 -1.283 9 HE1 MET 1 HE1 MET 1 7.275 -0.511 -0.792 10 HE2 MET 1 HE2 MET 1 7.415 0.514 -2.221 11 HE3 MET 1 HE3 MET 1 8.286 0.933 -0.747 12 H THR 2 H THR 2 1.448 -0.147 -1.282 13 HA THR 2 HA THR 2 0.716 0.097 -4.101 14 HB THR 2 HB THR 2 -0.429 -2.233 -3.023 15 HG1 THR 2 HG1 THR 2 2.306 -2.269 -2.352 16 HG21 THR 2 HG21 THR 2 0.352 -2.623 -5.107 17 HG22 THR 2 HG22 THR 2 1.820 -3.117 -4.263 18 HG23 THR 2 HG23 THR 2 1.693 -1.489 -4.928 19 H HIS 3 H HIS 3 -0.466 1.595 -1.643 20 HA HIS 3 HA HIS 3 -3.260 1.054 -2.409 21 HB2 HIS 3 HB2 HIS 3 -2.269 2.020 0.289 22 HB3 HIS 3 HB3 HIS 3 -3.952 1.770 -0.160 23 HD1 HIS 3 HD1 HIS 3 -3.107 -1.045 -1.661 24 HD2 HIS 3 HD2 HIS 3 -2.503 0.061 2.298 25 HE1 HIS 3 HE1 HIS 3 -2.892 -3.198 -0.384 26 HE2 HIS 3 HE2 HIS 3 -2.280 -2.494 1.955 27 H LEU 4 H LEU 4 -4.556 2.874 -2.799 28 HA LEU 4 HA LEU 4 -2.985 5.351 -3.063 29 HB2 LEU 4 HB2 LEU 4 -5.017 5.493 -4.969 30 HB3 LEU 4 HB3 LEU 4 -3.304 5.268 -5.255 31 HG LEU 4 HG LEU 4 -4.672 2.771 -4.623 32 HD11 LEU 4 HD11 LEU 4 -6.570 3.536 -5.717 33 HD12 LEU 4 HD12 LEU 4 -5.641 4.506 -6.859 34 HD13 LEU 4 HD13 LEU 4 -5.662 2.748 -7.006 35 HD21 LEU 4 HD21 LEU 4 -3.479 2.968 -7.233 36 HD22 LEU 4 HD22 LEU 4 -2.415 3.668 -6.014 37 HD23 LEU 4 HD23 LEU 4 -2.977 2.005 -5.843 38 H LYS 5 H LYS 5 -4.197 7.318 -3.107 39 HA LYS 5 HA LYS 5 -6.615 7.201 -1.451 40 HB2 LYS 5 HB2 LYS 5 -4.359 8.730 -1.166 41 HB3 LYS 5 HB3 LYS 5 -5.410 9.823 -2.054 42 HG2 LYS 5 HG2 LYS 5 -7.163 9.234 -0.261 43 HG3 LYS 5 HG3 LYS 5 -5.782 8.649 0.670 44 HD2 LYS 5 HD2 LYS 5 -5.966 11.411 -0.521 45 HD3 LYS 5 HD3 LYS 5 -6.431 11.021 1.134 46 HE2 LYS 5 HE2 LYS 5 -3.720 10.240 0.163 47 HE3 LYS 5 HE3 LYS 5 -4.026 11.923 0.589 48 HZ1 LYS 5 HZ1 LYS 5 -4.512 9.606 2.386 49 HZ2 LYS 5 HZ2 LYS 5 -4.680 11.251 2.788 50 HZ3 LYS 5 HZ3 LYS 5 -3.145 10.611 2.446 51 H ILE 6 H ILE 6 -8.524 7.729 -2.328 52 HA ILE 6 HA ILE 6 -8.669 8.297 -5.134 53 HB ILE 6 HB ILE 6 -10.384 7.095 -3.344 54 HG12 ILE 6 HG12 ILE 6 -11.921 6.924 -5.269 55 HG13 ILE 6 HG13 ILE 6 -11.010 8.188 -6.094 56 HG21 ILE 6 HG21 ILE 6 -12.509 8.569 -3.779 57 HG22 ILE 6 HG22 ILE 6 -11.471 8.866 -2.384 58 HG23 ILE 6 HG23 ILE 6 -11.328 9.878 -3.822 59 HD11 ILE 6 HD11 ILE 6 -10.578 5.428 -6.173 60 HD12 ILE 6 HD12 ILE 6 -9.577 6.700 -6.873 61 HD13 ILE 6 HD13 ILE 6 -9.238 6.106 -5.248 62 H THR 7 H THR 7 -9.390 10.179 -6.120 63 HA THR 7 HA THR 7 -9.731 12.541 -4.470 64 HB THR 7 HB THR 7 -7.995 13.443 -6.447 65 HG1 THR 7 HG1 THR 7 -7.511 10.825 -6.013 66 HG21 THR 7 HG21 THR 7 -6.355 13.576 -4.505 67 HG22 THR 7 HG22 THR 7 -7.595 12.776 -3.540 68 HG23 THR 7 HG23 THR 7 -7.923 14.350 -4.266 69 H GLY 8 H GLY 8 -10.304 14.437 -5.959 70 HA2 GLY 8 HA3 GLY 8 -11.401 15.186 -7.898 71 HA3 GLY 8 HA2 GLY 8 -11.585 13.525 -8.423 72 H MET 9 H MET 9 -12.510 12.846 -5.642 73 HA MET 9 HA MET 9 -14.991 14.264 -5.302 74 HB2 MET 9 HB2 MET 9 -14.947 11.894 -6.879 75 HB3 MET 9 HB3 MET 9 -15.758 11.522 -5.361 76 HG2 MET 9 HG2 MET 9 -16.458 13.822 -7.174 77 HG3 MET 9 HG3 MET 9 -17.305 12.276 -7.124 78 HE1 MET 9 HE1 MET 9 -17.894 15.678 -6.362 79 HE2 MET 9 HE2 MET 9 -19.193 14.588 -6.846 80 HE3 MET 9 HE3 MET 9 -19.286 15.442 -5.306 81 H THR 10 H THR 10 -16.292 12.774 -3.460 82 HA THR 10 HA THR 10 -14.190 12.527 -1.411 83 HB THR 10 HB THR 10 -16.544 14.023 -0.582 84 HG1 THR 10 HG1 THR 10 -14.779 15.614 -2.029 85 HG21 THR 10 HG21 THR 10 -13.673 14.893 -0.423 86 HG22 THR 10 HG22 THR 10 -14.307 13.635 0.639 87 HG23 THR 10 HG23 THR 10 -15.003 15.254 0.680 88 H CYS 11 H CYS 11 -16.443 10.567 -2.503 89 HA CYS 11 HA CYS 11 -17.018 9.337 -0.028 90 HB2 CYS 11 HB2 CYS 11 -19.575 9.854 -0.137 91 HB3 CYS 11 HB3 CYS 11 -18.478 10.994 0.632 92 H ASP 12 H ASP 12 -19.632 8.462 -0.483 93 HA ASP 12 HA ASP 12 -18.985 5.928 -1.123 94 HB2 ASP 12 HB2 ASP 12 -20.920 6.433 0.155 95 HB3 ASP 12 HB3 ASP 12 -21.665 7.290 -1.186 96 H SER 13 H SER 13 -21.119 7.797 -3.330 97 HA SER 13 HA SER 13 -21.429 5.726 -5.147 98 HB2 SER 13 HB2 SER 13 -21.453 8.502 -6.207 99 HB3 SER 13 HB3 SER 13 -22.650 7.218 -6.383 100 HG SER 13 HG SER 13 -23.285 7.597 -4.229 101 H CYS 14 H CYS 14 -19.040 8.293 -5.127 102 HA CYS 14 HA CYS 14 -17.863 7.589 -7.619 103 HB2 CYS 14 HB2 CYS 14 -16.174 9.019 -5.700 104 HB3 CYS 14 HB3 CYS 14 -16.723 9.510 -7.305 105 H ALA 15 H ALA 15 -16.992 7.043 -4.219 106 HA ALA 15 HA ALA 15 -14.750 5.365 -4.864 107 HB1 ALA 15 HB1 ALA 15 -15.231 4.823 -2.260 108 HB2 ALA 15 HB2 ALA 15 -14.314 6.219 -2.827 109 HB3 ALA 15 HB3 ALA 15 -16.020 6.392 -2.416 110 H ALA 16 H ALA 16 -16.817 4.375 -6.259 111 HA ALA 16 HA ALA 16 -17.055 1.682 -5.284 112 HB1 ALA 16 HB1 ALA 16 -19.732 2.715 -5.907 113 HB2 ALA 16 HB2 ALA 16 -19.213 1.596 -4.647 114 HB3 ALA 16 HB3 ALA 16 -19.040 3.334 -4.406 115 H HIS 17 H HIS 17 -18.476 4.045 -7.564 116 HA HIS 17 HA HIS 17 -18.608 2.306 -9.774 117 HB2 HIS 17 HB2 HIS 17 -19.338 4.882 -9.367 118 HB3 HIS 17 HB3 HIS 17 -17.873 5.120 -10.311 119 HD1 HIS 17 HD1 HIS 17 -21.053 5.501 -11.099 120 HD2 HIS 17 HD2 HIS 17 -18.348 2.647 -12.457 121 HE1 HIS 17 HE1 HIS 17 -21.941 4.723 -13.316 122 HE2 HIS 17 HE2 HIS 17 -20.140 3.217 -14.233 123 H VAL 18 H VAL 18 -16.049 4.244 -8.417 124 HA VAL 18 HA VAL 18 -14.082 3.842 -10.387 125 HB VAL 18 HB VAL 18 -13.992 4.555 -7.470 126 HG11 VAL 18 HG11 VAL 18 -11.415 4.963 -8.305 127 HG12 VAL 18 HG12 VAL 18 -11.961 3.634 -7.281 128 HG13 VAL 18 HG13 VAL 18 -11.806 3.399 -9.022 129 HG21 VAL 18 HG21 VAL 18 -12.755 6.097 -9.702 130 HG22 VAL 18 HG22 VAL 18 -14.507 6.116 -9.499 131 HG23 VAL 18 HG23 VAL 18 -13.462 6.672 -8.192 132 H LYS 19 H LYS 19 -14.917 2.061 -7.442 133 HA LYS 19 HA LYS 19 -12.892 0.111 -7.612 134 HB2 LYS 19 HB2 LYS 19 -14.117 0.415 -5.544 135 HB3 LYS 19 HB3 LYS 19 -15.634 0.010 -6.330 136 HG2 LYS 19 HG2 LYS 19 -14.162 -2.204 -6.829 137 HG3 LYS 19 HG3 LYS 19 -13.530 -1.719 -5.257 138 HD2 LYS 19 HD2 LYS 19 -16.128 -1.426 -4.756 139 HD3 LYS 19 HD3 LYS 19 -16.242 -2.655 -6.019 140 HE2 LYS 19 HE2 LYS 19 -14.184 -3.182 -4.007 141 HE3 LYS 19 HE3 LYS 19 -15.826 -3.150 -3.370 142 HZ1 LYS 19 HZ1 LYS 19 -15.639 -5.322 -4.004 143 HZ2 LYS 19 HZ2 LYS 19 -14.607 -4.988 -5.305 144 HZ3 LYS 19 HZ3 LYS 19 -16.270 -4.668 -5.437 145 H GLU 20 H GLU 20 -16.165 0.290 -8.907 146 HA GLU 20 HA GLU 20 -16.361 -2.278 -10.003 147 HB2 GLU 20 HB2 GLU 20 -18.111 -0.372 -9.808 148 HB3 GLU 20 HB3 GLU 20 -17.473 0.171 -11.353 149 HG2 GLU 20 HG2 GLU 20 -17.909 -2.363 -11.989 150 HG3 GLU 20 HG3 GLU 20 -19.100 -2.210 -10.697 151 H ALA 21 H ALA 21 -15.324 0.752 -11.563 152 HA ALA 21 HA ALA 21 -14.575 -0.462 -14.003 153 HB1 ALA 21 HB1 ALA 21 -13.353 1.686 -14.404 154 HB2 ALA 21 HB2 ALA 21 -15.059 1.862 -13.993 155 HB3 ALA 21 HB3 ALA 21 -13.820 2.178 -12.777 156 H LEU 22 H LEU 22 -12.798 0.237 -11.043 157 HA LEU 22 HA LEU 22 -10.220 -0.402 -12.003 158 HB2 LEU 22 HB2 LEU 22 -11.493 -0.173 -9.324 159 HB3 LEU 22 HB3 LEU 22 -9.964 -1.023 -9.422 160 HG LEU 22 HG LEU 22 -10.492 1.841 -10.205 161 HD11 LEU 22 HD11 LEU 22 -9.644 0.555 -7.786 162 HD12 LEU 22 HD12 LEU 22 -8.365 1.603 -8.402 163 HD13 LEU 22 HD13 LEU 22 -9.971 2.260 -8.094 164 HD21 LEU 22 HD21 LEU 22 -7.747 0.744 -10.194 165 HD22 LEU 22 HD22 LEU 22 -8.780 0.291 -11.551 166 HD23 LEU 22 HD23 LEU 22 -8.469 1.992 -11.209 167 H GLU 23 H GLU 23 -12.708 -2.353 -10.394 168 HA GLU 23 HA GLU 23 -11.167 -4.760 -10.473 169 HB2 GLU 23 HB2 GLU 23 -14.013 -4.093 -9.807 170 HB3 GLU 23 HB3 GLU 23 -13.538 -5.773 -10.029 171 HG2 GLU 23 HG2 GLU 23 -11.701 -5.313 -8.335 172 HG3 GLU 23 HG3 GLU 23 -12.561 -3.818 -7.976 173 H LYS 24 H LYS 24 -12.998 -3.054 -12.777 174 HA LYS 24 HA LYS 24 -13.489 -5.244 -14.551 175 HB2 LYS 24 HB2 LYS 24 -14.681 -3.103 -14.769 176 HB3 LYS 24 HB3 LYS 24 -13.168 -2.287 -15.129 177 HG2 LYS 24 HG2 LYS 24 -13.166 -4.195 -17.043 178 HG3 LYS 24 HG3 LYS 24 -14.898 -3.915 -16.858 179 HD2 LYS 24 HD2 LYS 24 -14.494 -1.489 -17.159 180 HD3 LYS 24 HD3 LYS 24 -12.789 -1.836 -17.449 181 HE2 LYS 24 HE2 LYS 24 -13.844 -3.500 -19.235 182 HE3 LYS 24 HE3 LYS 24 -15.155 -2.324 -19.169 183 HZ1 LYS 24 HZ1 LYS 24 -12.318 -1.603 -19.665 184 HZ2 LYS 24 HZ2 LYS 24 -13.672 -0.592 -19.802 185 HZ3 LYS 24 HZ3 LYS 24 -13.454 -1.870 -20.893 186 H VAL 25 H VAL 25 -10.747 -3.266 -13.769 187 HA VAL 25 HA VAL 25 -9.196 -3.985 -16.101 188 HB VAL 25 HB VAL 25 -8.284 -2.671 -13.531 189 HG11 VAL 25 HG11 VAL 25 -6.235 -2.855 -14.352 190 HG12 VAL 25 HG12 VAL 25 -6.851 -3.600 -15.827 191 HG13 VAL 25 HG13 VAL 25 -6.724 -1.844 -15.713 192 HG21 VAL 25 HG21 VAL 25 -8.851 -0.623 -14.342 193 HG22 VAL 25 HG22 VAL 25 -8.672 -1.117 -16.026 194 HG23 VAL 25 HG23 VAL 25 -10.111 -1.583 -15.119 195 HA PRO 26 HA PRO 26 -7.863 -7.877 -14.395 196 HB2 PRO 26 HB2 PRO 26 -5.735 -7.811 -16.415 197 HB3 PRO 26 HB3 PRO 26 -7.084 -8.938 -16.251 198 HG2 PRO 26 HG2 PRO 26 -6.964 -7.117 -18.237 199 HG3 PRO 26 HG3 PRO 26 -8.496 -7.643 -17.516 200 HD2 PRO 26 HD2 PRO 26 -6.939 -5.130 -17.034 201 HD3 PRO 26 HD3 PRO 26 -8.695 -5.358 -17.187 202 H GLY 27 H GLY 27 -6.338 -8.571 -12.997 203 HA2 GLY 27 HA3 GLY 27 -4.108 -8.494 -12.045 204 HA3 GLY 27 HA2 GLY 27 -4.033 -6.795 -12.509 205 H VAL 28 H VAL 28 -6.829 -6.407 -11.709 206 HA VAL 28 HA VAL 28 -6.403 -5.929 -8.888 207 HB VAL 28 HB VAL 28 -8.739 -5.271 -10.680 208 HG11 VAL 28 HG11 VAL 28 -8.153 -4.167 -7.936 209 HG12 VAL 28 HG12 VAL 28 -9.588 -3.893 -8.922 210 HG13 VAL 28 HG13 VAL 28 -9.281 -5.489 -8.234 211 HG21 VAL 28 HG21 VAL 28 -7.282 -3.768 -11.489 212 HG22 VAL 28 HG22 VAL 28 -7.611 -2.898 -9.991 213 HG23 VAL 28 HG23 VAL 28 -6.190 -3.935 -10.115 214 H GLN 29 H GLN 29 -6.709 -7.652 -7.597 215 HA GLN 29 HA GLN 29 -8.722 -9.639 -8.243 216 HB2 GLN 29 HB2 GLN 29 -7.081 -9.610 -5.725 217 HB3 GLN 29 HB3 GLN 29 -7.754 -10.990 -6.583 218 HG2 GLN 29 HG2 GLN 29 -6.164 -10.469 -8.454 219 HG3 GLN 29 HG3 GLN 29 -5.401 -9.298 -7.380 220 HE21 GLN 29 HE21 GLN 29 -3.957 -9.999 -5.918 221 HE22 GLN 29 HE22 GLN 29 -3.554 -11.661 -5.644 222 H SER 30 H SER 30 -8.119 -7.155 -5.824 223 HA SER 30 HA SER 30 -10.951 -6.995 -5.262 224 HB2 SER 30 HB2 SER 30 -9.389 -7.110 -2.759 225 HB3 SER 30 HB3 SER 30 -10.984 -7.768 -3.122 226 HG SER 30 HG SER 30 -9.862 -9.453 -4.296 227 H ALA 31 H ALA 31 -11.535 -5.006 -4.236 228 HA ALA 31 HA ALA 31 -9.350 -3.102 -3.772 229 HB1 ALA 31 HB1 ALA 31 -11.491 -2.897 -5.813 230 HB2 ALA 31 HB2 ALA 31 -11.081 -1.430 -4.924 231 HB3 ALA 31 HB3 ALA 31 -9.837 -2.286 -5.835 232 H LEU 32 H LEU 32 -9.669 -3.032 -1.579 233 HA LEU 32 HA LEU 32 -12.331 -2.667 -0.500 234 HB2 LEU 32 HB2 LEU 32 -9.627 -3.191 0.599 235 HB3 LEU 32 HB3 LEU 32 -10.738 -2.318 1.638 236 HG LEU 32 HG LEU 32 -12.294 -4.411 0.792 237 HD11 LEU 32 HD11 LEU 32 -11.128 -6.336 0.512 238 HD12 LEU 32 HD12 LEU 32 -9.924 -5.217 -0.127 239 HD13 LEU 32 HD13 LEU 32 -9.790 -5.805 1.530 240 HD21 LEU 32 HD21 LEU 32 -10.498 -4.419 3.211 241 HD22 LEU 32 HD22 LEU 32 -11.994 -3.495 3.083 242 HD23 LEU 32 HD23 LEU 32 -12.038 -5.256 3.022 243 H VAL 33 H VAL 33 -12.768 -0.690 -1.591 244 HA VAL 33 HA VAL 33 -11.233 1.663 -0.943 245 HB VAL 33 HB VAL 33 -13.270 2.817 -2.053 246 HG11 VAL 33 HG11 VAL 33 -10.905 1.775 -3.017 247 HG12 VAL 33 HG12 VAL 33 -12.118 1.175 -4.148 248 HG13 VAL 33 HG13 VAL 33 -11.967 2.907 -3.856 249 HG21 VAL 33 HG21 VAL 33 -14.496 0.465 -1.809 250 HG22 VAL 33 HG22 VAL 33 -14.857 1.586 -3.123 251 HG23 VAL 33 HG23 VAL 33 -13.771 0.224 -3.399 252 H SER 34 H SER 34 -11.837 3.335 0.401 253 HA SER 34 HA SER 34 -14.146 2.822 2.164 254 HB2 SER 34 HB2 SER 34 -11.914 4.468 3.208 255 HB3 SER 34 HB3 SER 34 -12.900 3.255 4.029 256 HG SER 34 HG SER 34 -11.478 2.000 2.183 257 H TYR 35 H TYR 35 -15.694 4.215 1.625 258 HA TYR 35 HA TYR 35 -15.305 6.472 0.036 259 HB2 TYR 35 HB2 TYR 35 -17.706 6.523 1.755 260 HB3 TYR 35 HB3 TYR 35 -17.552 6.728 0.018 261 HD1 TYR 35 HD1 TYR 35 -16.783 4.455 -1.220 262 HD2 TYR 35 HD2 TYR 35 -18.876 4.675 2.477 263 HE1 TYR 35 HE1 TYR 35 -17.597 2.160 -1.550 264 HE2 TYR 35 HE2 TYR 35 -19.701 2.381 2.153 265 HH TYR 35 HH TYR 35 -18.900 0.315 0.872 266 HA PRO 36 HA PRO 36 -15.966 9.337 3.797 267 HB2 PRO 36 HB2 PRO 36 -15.648 7.811 6.255 268 HB3 PRO 36 HB3 PRO 36 -17.028 8.763 5.707 269 HG2 PRO 36 HG2 PRO 36 -17.098 6.065 5.884 270 HG3 PRO 36 HG3 PRO 36 -18.023 6.969 4.670 271 HD2 PRO 36 HD2 PRO 36 -15.403 5.535 4.372 272 HD3 PRO 36 HD3 PRO 36 -16.817 5.528 3.294 273 H LYS 37 H LYS 37 -13.517 8.441 2.683 274 HA LYS 37 HA LYS 37 -11.717 9.900 4.316 275 HB2 LYS 37 HB2 LYS 37 -11.848 7.252 5.050 276 HB3 LYS 37 HB3 LYS 37 -10.502 7.265 3.918 277 HG2 LYS 37 HG2 LYS 37 -9.252 8.722 5.226 278 HG3 LYS 37 HG3 LYS 37 -10.660 9.265 6.136 279 HD2 LYS 37 HD2 LYS 37 -9.376 6.542 6.286 280 HD3 LYS 37 HD3 LYS 37 -9.273 7.817 7.502 281 HE2 LYS 37 HE2 LYS 37 -11.315 7.366 8.324 282 HE3 LYS 37 HE3 LYS 37 -12.006 7.069 6.729 283 HZ1 LYS 37 HZ1 LYS 37 -12.064 4.976 7.568 284 HZ2 LYS 37 HZ2 LYS 37 -10.722 5.209 8.577 285 HZ3 LYS 37 HZ3 LYS 37 -10.497 4.939 6.918 286 H GLY 38 H GLY 38 -12.322 7.756 1.637 287 HA2 GLY 38 HA3 GLY 38 -11.718 8.116 -0.589 288 HA3 GLY 38 HA2 GLY 38 -10.613 9.380 -0.060 289 H THR 39 H THR 39 -10.742 6.124 1.240 290 HA THR 39 HA THR 39 -7.947 5.793 0.428 291 HB THR 39 HB THR 39 -9.238 3.870 2.281 292 HG1 THR 39 HG1 THR 39 -8.527 6.541 3.035 293 HG21 THR 39 HG21 THR 39 -6.794 3.915 1.525 294 HG22 THR 39 HG22 THR 39 -7.108 3.755 3.252 295 HG23 THR 39 HG23 THR 39 -6.624 5.314 2.585 296 H ALA 40 H ALA 40 -7.234 3.985 -0.654 297 HA ALA 40 HA ALA 40 -9.267 2.075 -1.581 298 HB1 ALA 40 HB1 ALA 40 -8.844 3.581 -3.417 299 HB2 ALA 40 HB2 ALA 40 -7.102 3.354 -3.247 300 HB3 ALA 40 HB3 ALA 40 -8.120 2.013 -3.773 301 H GLN 41 H GLN 41 -8.634 0.531 -0.115 302 HA GLN 41 HA GLN 41 -5.851 -0.340 -0.075 303 HB2 GLN 41 HB2 GLN 41 -8.180 -1.561 1.413 304 HB3 GLN 41 HB3 GLN 41 -6.469 -1.742 1.769 305 HG2 GLN 41 HG2 GLN 41 -7.995 0.844 1.986 306 HG3 GLN 41 HG3 GLN 41 -7.664 -0.244 3.332 307 HE21 GLN 41 HE21 GLN 41 -5.926 0.201 4.498 308 HE22 GLN 41 HE22 GLN 41 -4.553 1.122 3.959 309 H LEU 42 H LEU 42 -5.762 -1.060 -2.246 310 HA LEU 42 HA LEU 42 -7.611 -3.131 -3.088 311 HB2 LEU 42 HB2 LEU 42 -5.364 -2.396 -4.844 312 HB3 LEU 42 HB3 LEU 42 -7.063 -2.616 -5.219 313 HG LEU 42 HG LEU 42 -6.899 -0.292 -3.632 314 HD11 LEU 42 HD11 LEU 42 -4.755 0.331 -3.981 315 HD12 LEU 42 HD12 LEU 42 -4.591 -0.647 -5.440 316 HD13 LEU 42 HD13 LEU 42 -5.414 0.912 -5.510 317 HD21 LEU 42 HD21 LEU 42 -8.573 -0.221 -5.161 318 HD22 LEU 42 HD22 LEU 42 -7.355 0.673 -6.071 319 HD23 LEU 42 HD23 LEU 42 -7.624 -1.038 -6.403 320 H ALA 43 H ALA 43 -7.101 -5.160 -3.654 321 HA ALA 43 HA ALA 43 -4.459 -6.158 -2.841 322 HB1 ALA 43 HB1 ALA 43 -5.414 -8.080 -2.099 323 HB2 ALA 43 HB2 ALA 43 -6.832 -7.043 -1.933 324 HB3 ALA 43 HB3 ALA 43 -6.655 -8.073 -3.353 325 H ILE 44 H ILE 44 -3.587 -5.434 -4.834 326 HA ILE 44 HA ILE 44 -4.615 -6.634 -7.281 327 HB ILE 44 HB ILE 44 -2.709 -5.313 -8.346 328 HG12 ILE 44 HG12 ILE 44 -2.588 -3.356 -6.234 329 HG13 ILE 44 HG13 ILE 44 -2.029 -4.915 -5.634 330 HG21 ILE 44 HG21 ILE 44 -4.015 -3.362 -8.491 331 HG22 ILE 44 HG22 ILE 44 -5.161 -4.671 -8.208 332 HG23 ILE 44 HG23 ILE 44 -4.699 -3.602 -6.883 333 HD11 ILE 44 HD11 ILE 44 -0.316 -3.306 -6.647 334 HD12 ILE 44 HD12 ILE 44 -0.268 -4.996 -7.149 335 HD13 ILE 44 HD13 ILE 44 -0.995 -3.784 -8.203 336 H VAL 45 H VAL 45 -3.163 -7.710 -8.767 337 HA VAL 45 HA VAL 45 -1.512 -9.666 -7.476 338 HB VAL 45 HB VAL 45 -2.916 -9.496 -9.880 339 HG11 VAL 45 HG11 VAL 45 -1.133 -8.472 -11.085 340 HG12 VAL 45 HG12 VAL 45 0.033 -9.640 -10.464 341 HG13 VAL 45 HG13 VAL 45 -1.227 -10.160 -11.584 342 HG21 VAL 45 HG21 VAL 45 -2.869 -11.704 -9.663 343 HG22 VAL 45 HG22 VAL 45 -1.111 -11.764 -9.779 344 HG23 VAL 45 HG23 VAL 45 -1.880 -11.436 -8.227 345 HA PRO 46 HA PRO 46 2.429 -7.700 -7.469 346 HB2 PRO 46 HB2 PRO 46 4.071 -9.655 -8.536 347 HB3 PRO 46 HB3 PRO 46 3.533 -9.590 -6.854 348 HG2 PRO 46 HG2 PRO 46 2.428 -11.172 -9.139 349 HG3 PRO 46 HG3 PRO 46 2.685 -11.666 -7.453 350 HD2 PRO 46 HD2 PRO 46 0.250 -11.023 -8.338 351 HD3 PRO 46 HD3 PRO 46 0.780 -10.547 -6.710 352 H GLY 47 H GLY 47 1.328 -9.070 -10.482 353 HA2 GLY 47 HA3 GLY 47 3.346 -7.824 -12.104 354 HA3 GLY 47 HA2 GLY 47 1.904 -8.646 -12.678 355 H THR 48 H THR 48 0.522 -6.678 -10.620 356 HA THR 48 HA THR 48 -0.029 -4.665 -12.629 357 HB THR 48 HB THR 48 -1.279 -4.222 -10.036 358 HG1 THR 48 HG1 THR 48 -1.222 -6.437 -9.786 359 HG21 THR 48 HG21 THR 48 -2.853 -3.407 -11.393 360 HG22 THR 48 HG22 THR 48 -3.074 -4.987 -12.146 361 HG23 THR 48 HG23 THR 48 -1.855 -3.876 -12.770 362 H SER 49 H SER 49 -0.396 -2.382 -11.637 363 HA SER 49 HA SER 49 1.763 -1.632 -9.890 364 HB2 SER 49 HB2 SER 49 1.772 -0.120 -12.435 365 HB3 SER 49 HB3 SER 49 3.122 -0.595 -11.406 366 HG SER 49 HG SER 49 2.634 -2.807 -12.221 367 HA PRO 50 HA PRO 50 -1.251 1.233 -8.570 368 HB2 PRO 50 HB2 PRO 50 0.945 3.122 -7.978 369 HB3 PRO 50 HB3 PRO 50 -0.251 2.413 -6.890 370 HG2 PRO 50 HG2 PRO 50 2.302 1.615 -6.855 371 HG3 PRO 50 HG3 PRO 50 0.973 0.469 -6.597 372 HD2 PRO 50 HD2 PRO 50 2.632 0.933 -9.044 373 HD3 PRO 50 HD3 PRO 50 2.028 -0.592 -8.362 374 H ASP 51 H ASP 51 1.201 2.340 -10.811 375 HA ASP 51 HA ASP 51 0.012 4.823 -11.462 376 HB2 ASP 51 HB2 ASP 51 2.318 4.190 -12.133 377 HB3 ASP 51 HB3 ASP 51 1.645 3.032 -13.274 378 H ALA 52 H ALA 52 -0.771 1.559 -12.305 379 HA ALA 52 HA ALA 52 -2.287 2.213 -14.666 380 HB1 ALA 52 HB1 ALA 52 -2.486 -0.021 -14.972 381 HB2 ALA 52 HB2 ALA 52 -1.180 -0.085 -13.788 382 HB3 ALA 52 HB3 ALA 52 -2.851 -0.327 -13.274 383 H LEU 53 H LEU 53 -2.908 1.673 -11.274 384 HA LEU 53 HA LEU 53 -5.759 1.677 -11.506 385 HB2 LEU 53 HB2 LEU 53 -3.963 2.031 -9.120 386 HB3 LEU 53 HB3 LEU 53 -5.705 1.873 -9.032 387 HG LEU 53 HG LEU 53 -4.641 -0.326 -10.525 388 HD11 LEU 53 HD11 LEU 53 -3.348 0.189 -7.855 389 HD12 LEU 53 HD12 LEU 53 -3.385 -1.388 -8.642 390 HD13 LEU 53 HD13 LEU 53 -2.552 -0.037 -9.412 391 HD21 LEU 53 HD21 LEU 53 -6.421 -1.182 -9.522 392 HD22 LEU 53 HD22 LEU 53 -5.562 -1.136 -7.983 393 HD23 LEU 53 HD23 LEU 53 -6.550 0.237 -8.484 394 H THR 54 H THR 54 -3.278 3.960 -10.469 395 HA THR 54 HA THR 54 -4.881 6.170 -9.926 396 HB THR 54 HB THR 54 -2.029 5.767 -10.709 397 HG1 THR 54 HG1 THR 54 -2.976 7.436 -8.644 398 HG21 THR 54 HG21 THR 54 -2.589 7.702 -12.070 399 HG22 THR 54 HG22 THR 54 -1.610 8.207 -10.693 400 HG23 THR 54 HG23 THR 54 -3.351 8.486 -10.687 401 H ALA 55 H ALA 55 -3.438 5.050 -12.971 402 HA ALA 55 HA ALA 55 -4.349 7.207 -14.565 403 HB1 ALA 55 HB1 ALA 55 -3.210 6.217 -16.218 404 HB2 ALA 55 HB2 ALA 55 -2.633 5.118 -14.966 405 HB3 ALA 55 HB3 ALA 55 -4.010 4.665 -15.971 406 H ALA 56 H ALA 56 -5.721 4.077 -13.715 407 HA ALA 56 HA ALA 56 -7.895 4.155 -15.522 408 HB1 ALA 56 HB1 ALA 56 -8.262 2.118 -14.711 409 HB2 ALA 56 HB2 ALA 56 -6.925 2.373 -13.590 410 HB3 ALA 56 HB3 ALA 56 -8.573 2.764 -13.100 411 H VAL 57 H VAL 57 -7.611 5.150 -12.121 412 HA VAL 57 HA VAL 57 -10.294 6.079 -11.960 413 HB VAL 57 HB VAL 57 -7.966 6.918 -10.221 414 HG11 VAL 57 HG11 VAL 57 -9.478 7.796 -8.741 415 HG12 VAL 57 HG12 VAL 57 -10.313 8.125 -10.258 416 HG13 VAL 57 HG13 VAL 57 -10.784 6.739 -9.274 417 HG21 VAL 57 HG21 VAL 57 -9.925 4.684 -9.718 418 HG22 VAL 57 HG22 VAL 57 -8.304 4.441 -10.367 419 HG23 VAL 57 HG23 VAL 57 -8.514 5.116 -8.752 420 H ALA 58 H ALA 58 -7.199 7.567 -12.787 421 HA ALA 58 HA ALA 58 -8.111 10.238 -12.922 422 HB1 ALA 58 HB1 ALA 58 -5.773 8.742 -13.922 423 HB2 ALA 58 HB2 ALA 58 -6.172 10.222 -14.795 424 HB3 ALA 58 HB3 ALA 58 -5.856 10.278 -13.060 425 H GLY 59 H GLY 59 -8.067 7.611 -15.273 426 HA2 GLY 59 HA3 GLY 59 -9.226 9.185 -17.385 427 HA3 GLY 59 HA2 GLY 59 -8.980 7.445 -17.388 428 H LEU 60 H LEU 60 -10.431 7.503 -14.662 429 HA LEU 60 HA LEU 60 -13.045 6.919 -15.663 430 HB2 LEU 60 HB2 LEU 60 -11.605 6.696 -13.164 431 HB3 LEU 60 HB3 LEU 60 -13.235 7.282 -12.902 432 HG LEU 60 HG LEU 60 -14.206 5.311 -13.544 433 HD11 LEU 60 HD11 LEU 60 -12.243 3.766 -14.862 434 HD12 LEU 60 HD12 LEU 60 -13.738 4.430 -15.520 435 HD13 LEU 60 HD13 LEU 60 -12.245 5.365 -15.606 436 HD21 LEU 60 HD21 LEU 60 -11.665 3.949 -12.883 437 HD22 LEU 60 HD22 LEU 60 -12.292 5.100 -11.703 438 HD23 LEU 60 HD23 LEU 60 -13.280 3.731 -12.211 439 H GLY 61 H GLY 61 -11.542 9.826 -14.926 440 HA2 GLY 61 HA3 GLY 61 -12.717 11.886 -15.384 441 HA3 GLY 61 HA2 GLY 61 -14.163 11.158 -14.695 442 H TYR 62 H TYR 62 -11.875 10.113 -12.738 443 HA TYR 62 HA TYR 62 -11.986 12.466 -10.975 444 HB2 TYR 62 HB2 TYR 62 -11.587 9.662 -9.957 445 HB3 TYR 62 HB3 TYR 62 -12.192 11.072 -9.095 446 HD1 TYR 62 HD2 TYR 62 -14.517 11.833 -9.459 447 HD2 TYR 62 HD1 TYR 62 -13.059 8.234 -11.197 448 HE1 TYR 62 HE2 TYR 62 -16.824 11.105 -9.865 449 HE2 TYR 62 HE1 TYR 62 -15.371 7.495 -11.608 450 HH TYR 62 HH TYR 62 -18.134 9.355 -10.419 451 H LYS 63 H LYS 63 -10.110 10.922 -9.171 452 HA LYS 63 HA LYS 63 -7.721 10.595 -10.761 453 HB2 LYS 63 HB2 LYS 63 -8.170 13.122 -9.882 454 HB3 LYS 63 HB3 LYS 63 -7.305 12.459 -8.504 455 HG2 LYS 63 HG2 LYS 63 -5.566 13.288 -9.732 456 HG3 LYS 63 HG3 LYS 63 -5.632 11.634 -10.347 457 HD2 LYS 63 HD2 LYS 63 -5.689 12.619 -12.366 458 HD3 LYS 63 HD3 LYS 63 -7.390 12.896 -11.998 459 HE2 LYS 63 HE2 LYS 63 -7.085 15.096 -11.988 460 HE3 LYS 63 HE3 LYS 63 -5.788 14.951 -10.803 461 HZ1 LYS 63 HZ1 LYS 63 -5.637 15.188 -13.710 462 HZ2 LYS 63 HZ2 LYS 63 -4.487 14.188 -12.965 463 HZ3 LYS 63 HZ3 LYS 63 -4.615 15.818 -12.512 464 H ALA 64 H ALA 64 -6.088 9.477 -9.649 465 HA ALA 64 HA ALA 64 -6.735 8.693 -6.888 466 HB1 ALA 64 HB1 ALA 64 -6.230 6.964 -9.227 467 HB2 ALA 64 HB2 ALA 64 -5.395 6.513 -7.739 468 HB3 ALA 64 HB3 ALA 64 -7.152 6.648 -7.757 469 H THR 65 H THR 65 -5.120 9.005 -5.501 470 HA THR 65 HA THR 65 -2.422 9.433 -6.603 471 HB THR 65 HB THR 65 -3.279 10.722 -4.068 472 HG1 THR 65 HG1 THR 65 -4.887 11.385 -5.518 473 HG21 THR 65 HG21 THR 65 -1.047 10.860 -5.913 474 HG22 THR 65 HG22 THR 65 -1.166 11.426 -4.248 475 HG23 THR 65 HG23 THR 65 -1.722 12.454 -5.570 476 H LEU 66 H LEU 66 -1.378 7.603 -6.140 477 HA LEU 66 HA LEU 66 -1.979 6.028 -3.864 478 HB2 LEU 66 HB2 LEU 66 -0.157 4.577 -4.530 479 HB3 LEU 66 HB3 LEU 66 -1.193 4.957 -5.877 480 HG LEU 66 HG LEU 66 0.800 5.056 -6.940 481 HD11 LEU 66 HD11 LEU 66 0.274 7.191 -7.512 482 HD12 LEU 66 HD12 LEU 66 0.367 7.784 -5.854 483 HD13 LEU 66 HD13 LEU 66 1.847 7.445 -6.755 484 HD21 LEU 66 HD21 LEU 66 2.749 6.244 -5.350 485 HD22 LEU 66 HD22 LEU 66 1.840 5.188 -4.269 486 HD23 LEU 66 HD23 LEU 66 2.571 4.532 -5.734 487 H ALA 67 H ALA 67 -1.567 6.646 -1.890 488 HA ALA 67 HA ALA 67 1.147 7.425 -1.179 489 HB1 ALA 67 HB1 ALA 67 0.700 9.527 -0.532 490 HB2 ALA 67 HB2 ALA 67 -0.769 9.377 -1.496 491 HB3 ALA 67 HB3 ALA 67 -0.816 9.054 0.236 492 H ASP 68 H ASP 68 -0.953 5.266 -0.860 493 HA ASP 68 HA ASP 68 -1.815 3.829 0.652 494 HB2 ASP 68 HB2 ASP 68 0.937 4.215 1.225 495 HB3 ASP 68 HB3 ASP 68 0.091 4.006 2.758 496 H ALA 69 H ALA 69 -3.669 4.823 1.313 497 HA ALA 69 HA ALA 69 -5.202 5.544 2.805 498 HB1 ALA 69 HB1 ALA 69 -4.683 5.556 5.193 499 HB2 ALA 69 HB2 ALA 69 -4.108 4.080 4.415 500 HB3 ALA 69 HB3 ALA 69 -2.969 5.364 4.823 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -0.072 -3.936 -6.398 2 H2 MET 1 H2 MET 1 1.356 -3.751 -7.287 3 H3 MET 1 H3 MET 1 0.138 -2.577 -7.381 4 HA MET 1 HA MET 1 2.171 -2.999 -5.382 5 HB2 MET 1 HB2 MET 1 1.859 -1.010 -6.991 6 HB3 MET 1 HB3 MET 1 0.560 -0.512 -5.917 7 HG2 MET 1 HG2 MET 1 2.005 0.427 -4.538 8 HG3 MET 1 HG3 MET 1 2.866 -1.100 -4.353 9 HE1 MET 1 HE1 MET 1 3.643 2.663 -6.249 10 HE2 MET 1 HE2 MET 1 3.082 2.131 -4.666 11 HE3 MET 1 HE3 MET 1 4.810 2.287 -4.980 12 H THR 2 H THR 2 -0.305 -0.738 -4.609 13 HA THR 2 HA THR 2 -1.447 -2.483 -2.572 14 HB THR 2 HB THR 2 -0.942 -0.119 -1.189 15 HG1 THR 2 HG1 THR 2 1.620 -0.751 -1.835 16 HG21 THR 2 HG21 THR 2 -0.779 -2.030 0.079 17 HG22 THR 2 HG22 THR 2 0.933 -1.675 -0.152 18 HG23 THR 2 HG23 THR 2 0.141 -2.895 -1.150 19 H HIS 3 H HIS 3 -2.419 -0.031 -1.157 20 HA HIS 3 HA HIS 3 -4.770 0.304 -2.807 21 HB2 HIS 3 HB2 HIS 3 -5.763 1.384 -0.850 22 HB3 HIS 3 HB3 HIS 3 -5.062 -0.167 -0.428 23 HD1 HIS 3 HD1 HIS 3 -3.322 -0.196 1.396 24 HD2 HIS 3 HD2 HIS 3 -4.317 3.649 0.160 25 HE1 HIS 3 HE1 HIS 3 -2.311 1.352 3.106 26 HE2 HIS 3 HE2 HIS 3 -3.048 3.662 2.409 27 H LEU 4 H LEU 4 -5.771 2.508 -2.993 28 HA LEU 4 HA LEU 4 -3.727 4.593 -3.345 29 HB2 LEU 4 HB2 LEU 4 -4.887 5.309 -5.417 30 HB3 LEU 4 HB3 LEU 4 -4.152 3.724 -5.542 31 HG LEU 4 HG LEU 4 -6.786 3.242 -4.722 32 HD11 LEU 4 HD11 LEU 4 -8.175 4.412 -6.246 33 HD12 LEU 4 HD12 LEU 4 -7.206 5.624 -5.409 34 HD13 LEU 4 HD13 LEU 4 -6.788 5.142 -7.053 35 HD21 LEU 4 HD21 LEU 4 -5.135 2.861 -7.158 36 HD22 LEU 4 HD22 LEU 4 -5.935 1.671 -6.132 37 HD23 LEU 4 HD23 LEU 4 -6.875 2.605 -7.296 38 H LYS 5 H LYS 5 -4.699 6.796 -3.535 39 HA LYS 5 HA LYS 5 -7.081 6.991 -1.804 40 HB2 LYS 5 HB2 LYS 5 -4.960 7.769 -0.761 41 HB3 LYS 5 HB3 LYS 5 -4.787 8.951 -2.050 42 HG2 LYS 5 HG2 LYS 5 -7.224 9.618 -1.212 43 HG3 LYS 5 HG3 LYS 5 -6.592 8.938 0.288 44 HD2 LYS 5 HD2 LYS 5 -5.602 10.898 0.652 45 HD3 LYS 5 HD3 LYS 5 -4.528 10.523 -0.697 46 HE2 LYS 5 HE2 LYS 5 -5.387 12.198 -1.872 47 HE3 LYS 5 HE3 LYS 5 -6.996 11.491 -1.739 48 HZ1 LYS 5 HZ1 LYS 5 -7.401 12.675 0.253 49 HZ2 LYS 5 HZ2 LYS 5 -6.769 13.797 -0.849 50 HZ3 LYS 5 HZ3 LYS 5 -5.785 13.176 0.377 51 H ILE 6 H ILE 6 -8.808 7.981 -2.647 52 HA ILE 6 HA ILE 6 -8.623 9.119 -5.302 53 HB ILE 6 HB ILE 6 -10.505 7.669 -4.801 54 HG12 ILE 6 HG12 ILE 6 -11.929 10.255 -4.970 55 HG13 ILE 6 HG13 ILE 6 -10.643 10.013 -6.150 56 HG21 ILE 6 HG21 ILE 6 -10.590 8.316 -2.357 57 HG22 ILE 6 HG22 ILE 6 -11.535 9.717 -2.860 58 HG23 ILE 6 HG23 ILE 6 -12.143 8.089 -3.163 59 HD11 ILE 6 HD11 ILE 6 -12.628 7.840 -5.761 60 HD12 ILE 6 HD12 ILE 6 -13.119 9.287 -6.639 61 HD13 ILE 6 HD13 ILE 6 -11.754 8.328 -7.213 62 H THR 7 H THR 7 -9.052 11.274 -5.866 63 HA THR 7 HA THR 7 -8.763 13.122 -3.586 64 HB THR 7 HB THR 7 -7.670 14.096 -6.112 65 HG1 THR 7 HG1 THR 7 -6.802 11.628 -5.034 66 HG21 THR 7 HG21 THR 7 -6.575 13.731 -3.326 67 HG22 THR 7 HG22 THR 7 -7.194 15.219 -4.042 68 HG23 THR 7 HG23 THR 7 -5.693 14.510 -4.640 69 H GLY 8 H GLY 8 -10.032 12.709 -6.852 70 HA2 GLY 8 HA3 GLY 8 -11.135 15.299 -7.085 71 HA3 GLY 8 HA2 GLY 8 -11.608 13.895 -8.030 72 H MET 9 H MET 9 -12.211 12.494 -5.427 73 HA MET 9 HA MET 9 -14.289 13.793 -4.085 74 HB2 MET 9 HB2 MET 9 -16.165 12.267 -5.061 75 HB3 MET 9 HB3 MET 9 -15.757 13.766 -5.880 76 HG2 MET 9 HG2 MET 9 -14.180 12.254 -7.287 77 HG3 MET 9 HG3 MET 9 -15.207 10.949 -6.692 78 HE1 MET 9 HE1 MET 9 -14.676 12.486 -9.838 79 HE2 MET 9 HE2 MET 9 -15.981 13.623 -10.176 80 HE3 MET 9 HE3 MET 9 -14.790 13.993 -8.930 81 H THR 10 H THR 10 -13.670 12.885 -2.273 82 HA THR 10 HA THR 10 -12.788 10.167 -2.088 83 HB THR 10 HB THR 10 -12.817 12.561 -0.420 84 HG1 THR 10 HG1 THR 10 -11.096 10.830 -1.325 85 HG21 THR 10 HG21 THR 10 -14.352 10.856 0.825 86 HG22 THR 10 HG22 THR 10 -13.084 11.712 1.704 87 HG23 THR 10 HG23 THR 10 -12.828 10.045 1.188 88 H CYS 11 H CYS 11 -15.754 11.832 -1.703 89 HA CYS 11 HA CYS 11 -17.140 10.315 0.154 90 HB2 CYS 11 HB2 CYS 11 -18.954 11.196 -1.824 91 HB3 CYS 11 HB3 CYS 11 -18.589 11.947 -0.276 92 H ASP 12 H ASP 12 -18.928 8.939 -0.105 93 HA ASP 12 HA ASP 12 -18.296 6.562 -1.485 94 HB2 ASP 12 HB2 ASP 12 -19.424 6.121 0.456 95 HB3 ASP 12 HB3 ASP 12 -20.424 7.560 0.335 96 H SER 13 H SER 13 -19.936 5.395 -2.875 97 HA SER 13 HA SER 13 -21.204 5.182 -4.744 98 HB2 SER 13 HB2 SER 13 -21.594 8.182 -4.789 99 HB3 SER 13 HB3 SER 13 -22.541 6.967 -5.648 100 HG SER 13 HG SER 13 -22.355 6.768 -2.855 101 H CYS 14 H CYS 14 -19.366 8.242 -4.996 102 HA CYS 14 HA CYS 14 -18.212 7.614 -7.505 103 HB2 CYS 14 HB2 CYS 14 -16.619 9.234 -5.603 104 HB3 CYS 14 HB3 CYS 14 -17.103 9.598 -7.257 105 H ALA 15 H ALA 15 -17.053 7.299 -4.159 106 HA ALA 15 HA ALA 15 -14.842 5.614 -4.851 107 HB1 ALA 15 HB1 ALA 15 -16.168 6.120 -2.183 108 HB2 ALA 15 HB2 ALA 15 -14.644 5.263 -2.422 109 HB3 ALA 15 HB3 ALA 15 -14.769 6.973 -2.837 110 H ALA 16 H ALA 16 -16.650 4.447 -6.213 111 HA ALA 16 HA ALA 16 -16.861 1.814 -5.104 112 HB1 ALA 16 HB1 ALA 16 -19.100 1.581 -4.770 113 HB2 ALA 16 HB2 ALA 16 -18.985 3.303 -4.407 114 HB3 ALA 16 HB3 ALA 16 -19.519 2.768 -6.002 115 H HIS 17 H HIS 17 -18.127 4.021 -7.593 116 HA HIS 17 HA HIS 17 -18.081 2.175 -9.713 117 HB2 HIS 17 HB2 HIS 17 -19.053 4.608 -9.570 118 HB3 HIS 17 HB3 HIS 17 -17.464 5.063 -10.174 119 HD1 HIS 17 HD1 HIS 17 -18.824 5.892 -12.339 120 HD2 HIS 17 HD2 HIS 17 -18.744 1.786 -11.682 121 HE1 HIS 17 HE1 HIS 17 -19.537 4.842 -14.511 122 HE2 HIS 17 HE2 HIS 17 -19.626 2.369 -14.041 123 H VAL 18 H VAL 18 -15.634 4.097 -8.195 124 HA VAL 18 HA VAL 18 -13.532 3.698 -10.042 125 HB VAL 18 HB VAL 18 -13.468 4.183 -7.054 126 HG11 VAL 18 HG11 VAL 18 -11.141 4.583 -8.905 127 HG12 VAL 18 HG12 VAL 18 -11.158 4.531 -7.142 128 HG13 VAL 18 HG13 VAL 18 -11.412 3.053 -8.072 129 HG21 VAL 18 HG21 VAL 18 -14.143 5.878 -9.153 130 HG22 VAL 18 HG22 VAL 18 -13.730 6.346 -7.505 131 HG23 VAL 18 HG23 VAL 18 -12.481 6.305 -8.749 132 H LYS 19 H LYS 19 -14.620 1.945 -7.177 133 HA LYS 19 HA LYS 19 -12.693 -0.078 -7.142 134 HB2 LYS 19 HB2 LYS 19 -14.105 0.110 -5.237 135 HB3 LYS 19 HB3 LYS 19 -15.559 0.041 -6.214 136 HG2 LYS 19 HG2 LYS 19 -14.425 -2.345 -6.776 137 HG3 LYS 19 HG3 LYS 19 -13.916 -2.102 -5.106 138 HD2 LYS 19 HD2 LYS 19 -16.498 -1.377 -4.922 139 HD3 LYS 19 HD3 LYS 19 -16.604 -2.563 -6.225 140 HE2 LYS 19 HE2 LYS 19 -15.021 -3.250 -3.805 141 HE3 LYS 19 HE3 LYS 19 -16.777 -3.262 -3.690 142 HZ1 LYS 19 HZ1 LYS 19 -16.321 -5.411 -4.338 143 HZ2 LYS 19 HZ2 LYS 19 -15.007 -4.961 -5.315 144 HZ3 LYS 19 HZ3 LYS 19 -16.594 -4.673 -5.841 145 H GLU 20 H GLU 20 -15.834 0.137 -8.760 146 HA GLU 20 HA GLU 20 -15.820 -2.448 -9.878 147 HB2 GLU 20 HB2 GLU 20 -17.788 -0.873 -9.708 148 HB3 GLU 20 HB3 GLU 20 -17.121 -0.005 -11.085 149 HG2 GLU 20 HG2 GLU 20 -17.137 -2.531 -12.045 150 HG3 GLU 20 HG3 GLU 20 -18.536 -2.569 -10.972 151 H ALA 21 H ALA 21 -14.919 0.686 -11.298 152 HA ALA 21 HA ALA 21 -14.068 -0.220 -13.784 153 HB1 ALA 21 HB1 ALA 21 -13.010 1.864 -14.055 154 HB2 ALA 21 HB2 ALA 21 -14.385 2.170 -12.993 155 HB3 ALA 21 HB3 ALA 21 -12.760 2.051 -12.318 156 H LEU 22 H LEU 22 -12.264 0.089 -10.757 157 HA LEU 22 HA LEU 22 -9.755 -0.667 -11.793 158 HB2 LEU 22 HB2 LEU 22 -10.880 0.000 -9.254 159 HB3 LEU 22 HB3 LEU 22 -9.956 -1.478 -9.078 160 HG LEU 22 HG LEU 22 -8.075 -0.306 -8.980 161 HD11 LEU 22 HD11 LEU 22 -8.048 -0.502 -11.454 162 HD12 LEU 22 HD12 LEU 22 -8.806 1.087 -11.547 163 HD13 LEU 22 HD13 LEU 22 -7.196 0.918 -10.844 164 HD21 LEU 22 HD21 LEU 22 -10.122 1.686 -8.772 165 HD22 LEU 22 HD22 LEU 22 -8.564 1.592 -7.951 166 HD23 LEU 22 HD23 LEU 22 -8.684 2.365 -9.532 167 H GLU 23 H GLU 23 -12.295 -2.532 -10.153 168 HA GLU 23 HA GLU 23 -10.894 -4.989 -10.202 169 HB2 GLU 23 HB2 GLU 23 -13.705 -4.157 -9.676 170 HB3 GLU 23 HB3 GLU 23 -13.399 -5.857 -10.007 171 HG2 GLU 23 HG2 GLU 23 -11.873 -6.004 -8.160 172 HG3 GLU 23 HG3 GLU 23 -11.991 -4.268 -7.876 173 H LYS 24 H LYS 24 -12.708 -3.297 -12.590 174 HA LYS 24 HA LYS 24 -13.149 -5.529 -14.326 175 HB2 LYS 24 HB2 LYS 24 -13.753 -2.736 -14.312 176 HB3 LYS 24 HB3 LYS 24 -12.947 -3.117 -15.825 177 HG2 LYS 24 HG2 LYS 24 -15.029 -3.603 -16.503 178 HG3 LYS 24 HG3 LYS 24 -14.703 -5.148 -15.714 179 HD2 LYS 24 HD2 LYS 24 -15.898 -4.519 -13.775 180 HD3 LYS 24 HD3 LYS 24 -15.931 -2.822 -14.252 181 HE2 LYS 24 HE2 LYS 24 -17.983 -3.253 -15.018 182 HE3 LYS 24 HE3 LYS 24 -17.170 -4.057 -16.362 183 HZ1 LYS 24 HZ1 LYS 24 -18.037 -5.393 -13.852 184 HZ2 LYS 24 HZ2 LYS 24 -17.344 -6.147 -15.206 185 HZ3 LYS 24 HZ3 LYS 24 -18.885 -5.442 -15.321 186 H VAL 25 H VAL 25 -10.447 -3.564 -13.546 187 HA VAL 25 HA VAL 25 -8.988 -4.122 -15.994 188 HB VAL 25 HB VAL 25 -8.106 -2.792 -13.420 189 HG11 VAL 25 HG11 VAL 25 -6.602 -2.424 -15.947 190 HG12 VAL 25 HG12 VAL 25 -6.033 -2.428 -14.278 191 HG13 VAL 25 HG13 VAL 25 -6.394 -3.951 -15.092 192 HG21 VAL 25 HG21 VAL 25 -9.854 -1.619 -14.801 193 HG22 VAL 25 HG22 VAL 25 -8.364 -0.713 -14.528 194 HG23 VAL 25 HG23 VAL 25 -8.648 -1.499 -16.084 195 HA PRO 26 HA PRO 26 -7.489 -8.069 -14.524 196 HB2 PRO 26 HB2 PRO 26 -5.347 -7.574 -16.516 197 HB3 PRO 26 HB3 PRO 26 -6.449 -8.946 -16.367 198 HG2 PRO 26 HG2 PRO 26 -6.762 -7.133 -18.302 199 HG3 PRO 26 HG3 PRO 26 -8.160 -7.864 -17.493 200 HD2 PRO 26 HD2 PRO 26 -6.944 -5.158 -17.106 201 HD3 PRO 26 HD3 PRO 26 -8.654 -5.634 -17.123 202 H GLY 27 H GLY 27 -5.917 -8.779 -13.166 203 HA2 GLY 27 HA3 GLY 27 -3.796 -8.628 -12.059 204 HA3 GLY 27 HA2 GLY 27 -3.722 -6.925 -12.502 205 H VAL 28 H VAL 28 -6.658 -6.799 -11.775 206 HA VAL 28 HA VAL 28 -6.253 -6.224 -8.945 207 HB VAL 28 HB VAL 28 -8.503 -5.541 -10.835 208 HG11 VAL 28 HG11 VAL 28 -8.334 -4.101 -8.287 209 HG12 VAL 28 HG12 VAL 28 -9.740 -4.730 -9.146 210 HG13 VAL 28 HG13 VAL 28 -8.771 -5.804 -8.138 211 HG21 VAL 28 HG21 VAL 28 -5.989 -4.274 -10.177 212 HG22 VAL 28 HG22 VAL 28 -7.139 -3.900 -11.461 213 HG23 VAL 28 HG23 VAL 28 -7.361 -3.215 -9.852 214 H GLN 29 H GLN 29 -7.050 -7.521 -7.382 215 HA GLN 29 HA GLN 29 -8.820 -9.702 -8.166 216 HB2 GLN 29 HB2 GLN 29 -6.792 -9.328 -6.134 217 HB3 GLN 29 HB3 GLN 29 -8.291 -9.915 -5.422 218 HG2 GLN 29 HG2 GLN 29 -6.837 -11.193 -7.727 219 HG3 GLN 29 HG3 GLN 29 -6.777 -11.732 -6.050 220 HE21 GLN 29 HE21 GLN 29 -8.776 -11.435 -8.896 221 HE22 GLN 29 HE22 GLN 29 -9.997 -12.555 -8.395 222 H SER 30 H SER 30 -8.677 -7.167 -5.655 223 HA SER 30 HA SER 30 -11.498 -6.671 -5.978 224 HB2 SER 30 HB2 SER 30 -10.469 -7.702 -3.321 225 HB3 SER 30 HB3 SER 30 -12.084 -7.055 -3.609 226 HG SER 30 HG SER 30 -11.534 -8.971 -5.414 227 H ALA 31 H ALA 31 -12.213 -4.759 -4.842 228 HA ALA 31 HA ALA 31 -10.031 -3.157 -3.673 229 HB1 ALA 31 HB1 ALA 31 -11.697 -1.279 -4.779 230 HB2 ALA 31 HB2 ALA 31 -10.178 -1.840 -5.477 231 HB3 ALA 31 HB3 ALA 31 -11.704 -2.559 -5.992 232 H LEU 32 H LEU 32 -10.481 -2.569 -1.670 233 HA LEU 32 HA LEU 32 -13.269 -2.544 -0.762 234 HB2 LEU 32 HB2 LEU 32 -11.459 -3.898 0.423 235 HB3 LEU 32 HB3 LEU 32 -10.795 -2.364 0.950 236 HG LEU 32 HG LEU 32 -13.305 -2.023 1.798 237 HD11 LEU 32 HD11 LEU 32 -13.275 -4.716 2.757 238 HD12 LEU 32 HD12 LEU 32 -14.547 -3.856 1.886 239 HD13 LEU 32 HD13 LEU 32 -13.293 -4.716 0.993 240 HD21 LEU 32 HD21 LEU 32 -12.031 -1.788 3.605 241 HD22 LEU 32 HD22 LEU 32 -12.165 -3.530 3.846 242 HD23 LEU 32 HD23 LEU 32 -10.799 -2.867 2.948 243 H VAL 33 H VAL 33 -13.829 -0.564 -1.648 244 HA VAL 33 HA VAL 33 -12.268 1.809 -1.116 245 HB VAL 33 HB VAL 33 -14.401 2.899 -2.164 246 HG11 VAL 33 HG11 VAL 33 -13.379 2.826 -4.227 247 HG12 VAL 33 HG12 VAL 33 -12.049 2.404 -3.147 248 HG13 VAL 33 HG13 VAL 33 -12.893 1.141 -4.044 249 HG21 VAL 33 HG21 VAL 33 -16.031 1.578 -2.909 250 HG22 VAL 33 HG22 VAL 33 -14.884 0.502 -3.710 251 HG23 VAL 33 HG23 VAL 33 -15.276 0.266 -2.006 252 H SER 34 H SER 34 -12.546 3.215 0.522 253 HA SER 34 HA SER 34 -15.125 3.245 1.919 254 HB2 SER 34 HB2 SER 34 -13.005 3.662 3.819 255 HB3 SER 34 HB3 SER 34 -14.293 2.456 3.842 256 HG SER 34 HG SER 34 -12.694 1.539 2.069 257 H TYR 35 H TYR 35 -15.891 5.213 1.777 258 HA TYR 35 HA TYR 35 -14.324 7.442 1.071 259 HB2 TYR 35 HB2 TYR 35 -16.251 8.396 0.550 260 HB3 TYR 35 HB3 TYR 35 -17.015 6.890 0.991 261 HD1 TYR 35 HD2 TYR 35 -16.220 10.300 2.151 262 HD2 TYR 35 HD1 TYR 35 -18.471 6.765 2.871 263 HE1 TYR 35 HE2 TYR 35 -17.590 11.514 3.790 264 HE2 TYR 35 HE1 TYR 35 -19.854 7.969 4.506 265 HH TYR 35 HH TYR 35 -20.498 10.231 5.061 266 HA PRO 36 HA PRO 36 -15.082 8.752 5.871 267 HB2 PRO 36 HB2 PRO 36 -14.038 6.086 6.745 268 HB3 PRO 36 HB3 PRO 36 -15.106 7.212 7.594 269 HG2 PRO 36 HG2 PRO 36 -16.106 5.065 6.402 270 HG3 PRO 36 HG3 PRO 36 -16.958 6.618 6.328 271 HD2 PRO 36 HD2 PRO 36 -15.402 5.209 4.221 272 HD3 PRO 36 HD3 PRO 36 -16.812 6.276 4.064 273 H LYS 37 H LYS 37 -12.590 6.463 4.736 274 HA LYS 37 HA LYS 37 -10.520 8.200 5.856 275 HB2 LYS 37 HB2 LYS 37 -9.145 6.157 4.683 276 HB3 LYS 37 HB3 LYS 37 -9.669 6.181 6.357 277 HG2 LYS 37 HG2 LYS 37 -11.555 4.825 5.885 278 HG3 LYS 37 HG3 LYS 37 -11.330 5.012 4.144 279 HD2 LYS 37 HD2 LYS 37 -9.584 3.530 4.069 280 HD3 LYS 37 HD3 LYS 37 -9.098 3.852 5.735 281 HE2 LYS 37 HE2 LYS 37 -11.755 2.655 5.487 282 HE3 LYS 37 HE3 LYS 37 -10.458 1.636 4.866 283 HZ1 LYS 37 HZ1 LYS 37 -9.586 1.331 6.905 284 HZ2 LYS 37 HZ2 LYS 37 -11.173 1.669 7.408 285 HZ3 LYS 37 HZ3 LYS 37 -9.997 2.884 7.456 286 H GLY 38 H GLY 38 -12.013 7.400 2.869 287 HA2 GLY 38 HA3 GLY 38 -11.806 8.502 0.838 288 HA3 GLY 38 HA2 GLY 38 -10.440 9.391 1.496 289 H THR 39 H THR 39 -10.410 5.968 1.789 290 HA THR 39 HA THR 39 -8.344 5.886 -0.302 291 HB THR 39 HB THR 39 -8.037 3.802 1.676 292 HG1 THR 39 HG1 THR 39 -7.447 6.320 2.771 293 HG21 THR 39 HG21 THR 39 -6.161 6.081 1.124 294 HG22 THR 39 HG22 THR 39 -6.393 4.771 -0.034 295 HG23 THR 39 HG23 THR 39 -5.780 4.423 1.583 296 H ALA 40 H ALA 40 -8.194 4.101 -1.591 297 HA ALA 40 HA ALA 40 -10.431 2.196 -1.483 298 HB1 ALA 40 HB1 ALA 40 -9.060 1.803 -3.871 299 HB2 ALA 40 HB2 ALA 40 -10.578 2.676 -3.660 300 HB3 ALA 40 HB3 ALA 40 -9.048 3.551 -3.638 301 H GLN 41 H GLN 41 -9.768 0.566 -0.174 302 HA GLN 41 HA GLN 41 -7.024 -0.275 -0.024 303 HB2 GLN 41 HB2 GLN 41 -8.487 -0.392 1.938 304 HB3 GLN 41 HB3 GLN 41 -9.543 -1.522 1.105 305 HG2 GLN 41 HG2 GLN 41 -8.280 -2.876 2.496 306 HG3 GLN 41 HG3 GLN 41 -7.479 -3.027 0.933 307 HE21 GLN 41 HE21 GLN 41 -6.656 -3.192 3.871 308 HE22 GLN 41 HE22 GLN 41 -5.206 -2.241 3.935 309 H LEU 42 H LEU 42 -6.361 -1.017 -1.998 310 HA LEU 42 HA LEU 42 -8.082 -2.885 -3.420 311 HB2 LEU 42 HB2 LEU 42 -6.391 -0.779 -4.216 312 HB3 LEU 42 HB3 LEU 42 -5.673 -2.256 -4.836 313 HG LEU 42 HG LEU 42 -8.498 -2.284 -5.339 314 HD11 LEU 42 HD11 LEU 42 -7.716 0.289 -5.242 315 HD12 LEU 42 HD12 LEU 42 -7.329 -0.095 -6.919 316 HD13 LEU 42 HD13 LEU 42 -8.973 -0.319 -6.317 317 HD21 LEU 42 HD21 LEU 42 -6.045 -2.960 -6.580 318 HD22 LEU 42 HD22 LEU 42 -7.681 -3.407 -7.063 319 HD23 LEU 42 HD23 LEU 42 -6.947 -1.931 -7.691 320 H ALA 43 H ALA 43 -7.689 -4.930 -3.669 321 HA ALA 43 HA ALA 43 -5.141 -6.046 -2.750 322 HB1 ALA 43 HB1 ALA 43 -7.924 -7.027 -2.834 323 HB2 ALA 43 HB2 ALA 43 -6.678 -8.213 -3.227 324 HB3 ALA 43 HB3 ALA 43 -6.635 -7.368 -1.680 325 H ILE 44 H ILE 44 -4.046 -5.351 -4.596 326 HA ILE 44 HA ILE 44 -4.764 -6.577 -7.153 327 HB ILE 44 HB ILE 44 -2.410 -5.180 -7.554 328 HG12 ILE 44 HG12 ILE 44 -4.210 -3.557 -5.739 329 HG13 ILE 44 HG13 ILE 44 -2.619 -4.176 -5.306 330 HG21 ILE 44 HG21 ILE 44 -4.160 -5.165 -9.143 331 HG22 ILE 44 HG22 ILE 44 -5.282 -4.421 -8.005 332 HG23 ILE 44 HG23 ILE 44 -3.928 -3.487 -8.647 333 HD11 ILE 44 HD11 ILE 44 -1.899 -2.828 -7.447 334 HD12 ILE 44 HD12 ILE 44 -3.364 -1.919 -7.074 335 HD13 ILE 44 HD13 ILE 44 -2.077 -2.050 -5.876 336 H VAL 45 H VAL 45 -3.187 -7.764 -8.355 337 HA VAL 45 HA VAL 45 -1.679 -9.612 -6.831 338 HB VAL 45 HB VAL 45 -1.683 -9.000 -9.772 339 HG11 VAL 45 HG11 VAL 45 0.470 -9.986 -9.130 340 HG12 VAL 45 HG12 VAL 45 -0.388 -11.341 -8.394 341 HG13 VAL 45 HG13 VAL 45 -0.485 -11.079 -10.135 342 HG21 VAL 45 HG21 VAL 45 -3.662 -10.100 -8.367 343 HG22 VAL 45 HG22 VAL 45 -3.297 -10.570 -10.027 344 HG23 VAL 45 HG23 VAL 45 -2.705 -11.548 -8.683 345 HA PRO 46 HA PRO 46 2.154 -7.465 -5.899 346 HB2 PRO 46 HB2 PRO 46 3.166 -10.129 -6.846 347 HB3 PRO 46 HB3 PRO 46 3.682 -9.166 -5.455 348 HG2 PRO 46 HG2 PRO 46 2.034 -11.240 -5.138 349 HG3 PRO 46 HG3 PRO 46 1.833 -9.756 -4.188 350 HD2 PRO 46 HD2 PRO 46 0.184 -10.810 -6.407 351 HD3 PRO 46 HD3 PRO 46 -0.264 -9.711 -5.088 352 H GLY 47 H GLY 47 3.215 -6.104 -7.167 353 HA2 GLY 47 HA3 GLY 47 4.413 -5.525 -9.179 354 HA3 GLY 47 HA2 GLY 47 3.511 -6.785 -10.023 355 H THR 48 H THR 48 2.288 -5.741 -11.493 356 HA THR 48 HA THR 48 0.822 -4.300 -12.449 357 HB THR 48 HB THR 48 -0.390 -4.078 -9.717 358 HG1 THR 48 HG1 THR 48 -0.248 -6.235 -9.908 359 HG21 THR 48 HG21 THR 48 -1.190 -3.272 -12.348 360 HG22 THR 48 HG22 THR 48 -2.012 -3.000 -10.811 361 HG23 THR 48 HG23 THR 48 -2.322 -4.475 -11.729 362 H SER 49 H SER 49 1.665 -2.498 -13.119 363 HA SER 49 HA SER 49 3.130 -0.715 -11.615 364 HB2 SER 49 HB2 SER 49 1.935 0.658 -13.836 365 HB3 SER 49 HB3 SER 49 3.591 0.080 -13.658 366 HG SER 49 HG SER 49 2.926 -1.942 -14.445 367 HA PRO 50 HA PRO 50 -0.052 1.329 -9.296 368 HB2 PRO 50 HB2 PRO 50 1.473 3.455 -8.464 369 HB3 PRO 50 HB3 PRO 50 1.508 1.859 -7.706 370 HG2 PRO 50 HG2 PRO 50 3.374 3.044 -9.722 371 HG3 PRO 50 HG3 PRO 50 3.748 2.075 -8.283 372 HD2 PRO 50 HD2 PRO 50 3.754 1.004 -10.747 373 HD3 PRO 50 HD3 PRO 50 3.202 0.081 -9.334 374 H ASP 51 H ASP 51 1.925 2.962 -11.681 375 HA ASP 51 HA ASP 51 0.343 5.284 -11.959 376 HB2 ASP 51 HB2 ASP 51 2.738 4.646 -12.888 377 HB3 ASP 51 HB3 ASP 51 1.811 4.135 -14.296 378 H ALA 52 H ALA 52 -0.101 2.026 -12.968 379 HA ALA 52 HA ALA 52 -1.814 2.593 -15.209 380 HB1 ALA 52 HB1 ALA 52 -0.759 0.527 -15.397 381 HB2 ALA 52 HB2 ALA 52 -1.075 0.096 -13.716 382 HB3 ALA 52 HB3 ALA 52 -2.391 0.091 -14.891 383 H LEU 53 H LEU 53 -2.228 1.780 -11.828 384 HA LEU 53 HA LEU 53 -5.055 1.487 -11.906 385 HB2 LEU 53 HB2 LEU 53 -3.079 1.936 -9.694 386 HB3 LEU 53 HB3 LEU 53 -4.798 1.862 -9.384 387 HG LEU 53 HG LEU 53 -4.247 -0.450 -10.857 388 HD11 LEU 53 HD11 LEU 53 -2.484 -1.261 -8.972 389 HD12 LEU 53 HD12 LEU 53 -2.043 -0.755 -10.601 390 HD13 LEU 53 HD13 LEU 53 -1.932 0.387 -9.263 391 HD21 LEU 53 HD21 LEU 53 -5.593 -1.159 -9.249 392 HD22 LEU 53 HD22 LEU 53 -4.264 -1.056 -8.094 393 HD23 LEU 53 HD23 LEU 53 -5.328 0.330 -8.343 394 H THR 54 H THR 54 -2.869 4.050 -10.839 395 HA THR 54 HA THR 54 -4.744 6.003 -10.215 396 HB THR 54 HB THR 54 -2.092 6.648 -11.486 397 HG1 THR 54 HG1 THR 54 -1.437 5.185 -10.011 398 HG21 THR 54 HG21 THR 54 -4.076 8.170 -10.210 399 HG22 THR 54 HG22 THR 54 -2.462 8.690 -10.693 400 HG23 THR 54 HG23 THR 54 -2.735 8.056 -9.070 401 H ALA 55 H ALA 55 -3.219 5.177 -13.300 402 HA ALA 55 HA ALA 55 -4.350 7.292 -14.813 403 HB1 ALA 55 HB1 ALA 55 -2.587 5.143 -15.308 404 HB2 ALA 55 HB2 ALA 55 -3.903 5.022 -16.475 405 HB3 ALA 55 HB3 ALA 55 -2.964 6.510 -16.357 406 H ALA 56 H ALA 56 -5.417 4.036 -14.016 407 HA ALA 56 HA ALA 56 -7.632 3.947 -15.771 408 HB1 ALA 56 HB1 ALA 56 -8.110 1.950 -14.812 409 HB2 ALA 56 HB2 ALA 56 -6.472 2.129 -14.183 410 HB3 ALA 56 HB3 ALA 56 -7.856 2.553 -13.174 411 H VAL 57 H VAL 57 -7.300 5.022 -12.414 412 HA VAL 57 HA VAL 57 -10.046 5.723 -12.123 413 HB VAL 57 HB VAL 57 -7.766 6.892 -10.524 414 HG11 VAL 57 HG11 VAL 57 -9.595 6.817 -8.735 415 HG12 VAL 57 HG12 VAL 57 -9.752 8.028 -10.006 416 HG13 VAL 57 HG13 VAL 57 -10.717 6.553 -10.069 417 HG21 VAL 57 HG21 VAL 57 -7.503 5.006 -9.309 418 HG22 VAL 57 HG22 VAL 57 -9.206 4.561 -9.443 419 HG23 VAL 57 HG23 VAL 57 -8.101 4.225 -10.774 420 H ALA 58 H ALA 58 -7.079 7.535 -12.876 421 HA ALA 58 HA ALA 58 -8.271 10.087 -13.000 422 HB1 ALA 58 HB1 ALA 58 -6.273 10.550 -14.590 423 HB2 ALA 58 HB2 ALA 58 -5.957 10.137 -12.904 424 HB3 ALA 58 HB3 ALA 58 -5.774 8.912 -14.160 425 H GLY 59 H GLY 59 -7.841 7.558 -15.417 426 HA2 GLY 59 HA3 GLY 59 -8.946 9.048 -17.588 427 HA3 GLY 59 HA2 GLY 59 -8.689 7.309 -17.537 428 H LEU 60 H LEU 60 -10.282 7.153 -14.998 429 HA LEU 60 HA LEU 60 -12.878 6.826 -16.149 430 HB2 LEU 60 HB2 LEU 60 -11.554 6.134 -13.710 431 HB3 LEU 60 HB3 LEU 60 -13.084 6.902 -13.341 432 HG LEU 60 HG LEU 60 -13.202 4.430 -13.477 433 HD11 LEU 60 HD11 LEU 60 -14.984 4.895 -15.624 434 HD12 LEU 60 HD12 LEU 60 -15.339 4.793 -13.900 435 HD13 LEU 60 HD13 LEU 60 -14.940 6.349 -14.630 436 HD21 LEU 60 HD21 LEU 60 -12.026 3.469 -15.113 437 HD22 LEU 60 HD22 LEU 60 -13.380 3.895 -16.160 438 HD23 LEU 60 HD23 LEU 60 -11.974 4.954 -16.064 439 H GLY 61 H GLY 61 -11.212 9.418 -14.645 440 HA2 GLY 61 HA3 GLY 61 -12.155 11.634 -15.149 441 HA3 GLY 61 HA2 GLY 61 -13.714 10.990 -14.654 442 H TYR 62 H TYR 62 -12.211 9.510 -12.470 443 HA TYR 62 HA TYR 62 -12.450 11.652 -10.521 444 HB2 TYR 62 HB2 TYR 62 -11.736 8.804 -9.867 445 HB3 TYR 62 HB3 TYR 62 -12.582 9.983 -8.872 446 HD1 TYR 62 HD1 TYR 62 -12.915 7.565 -11.614 447 HD2 TYR 62 HD2 TYR 62 -14.964 10.343 -9.128 448 HE1 TYR 62 HE1 TYR 62 -15.063 6.611 -12.329 449 HE2 TYR 62 HE2 TYR 62 -17.120 9.394 -9.837 450 HH TYR 62 HH TYR 62 -17.467 7.447 -12.510 451 H LYS 63 H LYS 63 -10.760 12.636 -9.577 452 HA LYS 63 HA LYS 63 -8.108 12.012 -10.491 453 HB2 LYS 63 HB2 LYS 63 -8.939 14.344 -9.980 454 HB3 LYS 63 HB3 LYS 63 -8.920 13.910 -8.276 455 HG2 LYS 63 HG2 LYS 63 -6.592 13.758 -8.217 456 HG3 LYS 63 HG3 LYS 63 -6.465 13.666 -9.975 457 HD2 LYS 63 HD2 LYS 63 -7.658 16.052 -9.759 458 HD3 LYS 63 HD3 LYS 63 -6.809 16.022 -8.212 459 HE2 LYS 63 HE2 LYS 63 -5.226 16.988 -9.571 460 HE3 LYS 63 HE3 LYS 63 -4.774 15.288 -9.679 461 HZ1 LYS 63 HZ1 LYS 63 -6.341 16.846 -11.662 462 HZ2 LYS 63 HZ2 LYS 63 -6.104 15.168 -11.746 463 HZ3 LYS 63 HZ3 LYS 63 -4.778 16.217 -11.861 464 H ALA 64 H ALA 64 -6.635 10.760 -9.475 465 HA ALA 64 HA ALA 64 -7.062 10.094 -6.658 466 HB1 ALA 64 HB1 ALA 64 -6.307 7.667 -7.531 467 HB2 ALA 64 HB2 ALA 64 -7.991 8.147 -7.327 468 HB3 ALA 64 HB3 ALA 64 -7.244 8.209 -8.923 469 H THR 65 H THR 65 -5.185 9.094 -5.666 470 HA THR 65 HA THR 65 -2.676 9.394 -7.157 471 HB THR 65 HB THR 65 -2.348 10.064 -4.353 472 HG1 THR 65 HG1 THR 65 -4.243 11.469 -5.891 473 HG21 THR 65 HG21 THR 65 -1.488 12.209 -5.764 474 HG22 THR 65 HG22 THR 65 -1.445 10.960 -7.009 475 HG23 THR 65 HG23 THR 65 -0.533 10.750 -5.513 476 H LEU 66 H LEU 66 -1.516 7.577 -7.044 477 HA LEU 66 HA LEU 66 -2.255 5.386 -5.411 478 HB2 LEU 66 HB2 LEU 66 -0.658 5.713 -7.628 479 HB3 LEU 66 HB3 LEU 66 0.516 5.387 -6.370 480 HG LEU 66 HG LEU 66 -0.175 3.360 -7.601 481 HD11 LEU 66 HD11 LEU 66 0.653 2.765 -5.553 482 HD12 LEU 66 HD12 LEU 66 -0.596 3.640 -4.668 483 HD13 LEU 66 HD13 LEU 66 -0.979 2.105 -5.446 484 HD21 LEU 66 HD21 LEU 66 -2.543 2.539 -6.741 485 HD22 LEU 66 HD22 LEU 66 -2.852 4.275 -6.719 486 HD23 LEU 66 HD23 LEU 66 -2.359 3.487 -8.218 487 H ALA 67 H ALA 67 -1.750 4.946 -3.376 488 HA ALA 67 HA ALA 67 0.580 6.175 -2.129 489 HB1 ALA 67 HB1 ALA 67 -0.827 7.854 -1.477 490 HB2 ALA 67 HB2 ALA 67 -2.254 6.820 -1.500 491 HB3 ALA 67 HB3 ALA 67 -1.107 6.712 -0.163 492 H ASP 68 H ASP 68 1.542 4.322 -1.654 493 HA ASP 68 HA ASP 68 0.391 1.850 -1.234 494 HB2 ASP 68 HB2 ASP 68 2.515 1.069 -0.852 495 HB3 ASP 68 HB3 ASP 68 2.903 2.622 -1.582 496 H ALA 69 H ALA 69 0.982 4.367 1.146 497 HA ALA 69 HA ALA 69 -0.769 3.116 3.024 498 HB1 ALA 69 HB1 ALA 69 2.158 2.820 3.329 499 HB2 ALA 69 HB2 ALA 69 1.258 3.267 4.778 500 HB3 ALA 69 HB3 ALA 69 0.848 1.789 3.905 Start of MODEL 14 1 H1 MET 1 H1 MET 1 3.076 1.844 -4.780 2 H2 MET 1 H2 MET 1 4.754 1.734 -4.597 3 H3 MET 1 H3 MET 1 3.727 1.160 -3.372 4 HA MET 1 HA MET 1 3.722 0.066 -6.117 5 HB2 MET 1 HB2 MET 1 5.017 -1.856 -5.120 6 HB3 MET 1 HB3 MET 1 5.926 -0.367 -5.328 7 HG2 MET 1 HG2 MET 1 4.634 -0.742 -2.709 8 HG3 MET 1 HG3 MET 1 5.958 -1.842 -3.090 9 HE1 MET 1 HE1 MET 1 8.391 0.219 -1.196 10 HE2 MET 1 HE2 MET 1 7.127 -0.994 -0.993 11 HE3 MET 1 HE3 MET 1 8.353 -1.201 -2.242 12 H THR 2 H THR 2 2.105 0.513 -3.253 13 HA THR 2 HA THR 2 0.582 -1.970 -3.641 14 HB THR 2 HB THR 2 -0.254 -1.598 -1.295 15 HG1 THR 2 HG1 THR 2 1.963 0.207 -1.216 16 HG21 THR 2 HG21 THR 2 1.210 -3.262 -1.019 17 HG22 THR 2 HG22 THR 2 2.371 -2.038 -0.506 18 HG23 THR 2 HG23 THR 2 2.330 -2.566 -2.188 19 H HIS 3 H HIS 3 -1.001 -0.036 -1.554 20 HA HIS 3 HA HIS 3 -3.153 0.326 -3.423 21 HB2 HIS 3 HB2 HIS 3 -4.478 1.002 -1.543 22 HB3 HIS 3 HB3 HIS 3 -3.491 -0.364 -1.045 23 HD1 HIS 3 HD1 HIS 3 -4.293 3.114 -0.198 24 HD2 HIS 3 HD2 HIS 3 -1.302 0.375 0.693 25 HE1 HIS 3 HE1 HIS 3 -3.099 4.050 1.803 26 HE2 HIS 3 HE2 HIS 3 -1.144 2.503 2.148 27 H LEU 4 H LEU 4 -4.430 2.602 -2.812 28 HA LEU 4 HA LEU 4 -2.557 4.812 -3.132 29 HB2 LEU 4 HB2 LEU 4 -4.283 5.550 -5.042 30 HB3 LEU 4 HB3 LEU 4 -2.809 4.665 -5.382 31 HG LEU 4 HG LEU 4 -4.950 2.822 -4.820 32 HD11 LEU 4 HD11 LEU 4 -5.457 4.709 -7.114 33 HD12 LEU 4 HD12 LEU 4 -6.422 3.305 -6.654 34 HD13 LEU 4 HD13 LEU 4 -6.353 4.715 -5.596 35 HD21 LEU 4 HD21 LEU 4 -4.172 2.737 -7.528 36 HD22 LEU 4 HD22 LEU 4 -2.737 3.178 -6.601 37 HD23 LEU 4 HD23 LEU 4 -3.623 1.704 -6.209 38 H LYS 5 H LYS 5 -3.827 6.922 -3.239 39 HA LYS 5 HA LYS 5 -6.164 6.755 -1.461 40 HB2 LYS 5 HB2 LYS 5 -3.865 8.572 -1.621 41 HB3 LYS 5 HB3 LYS 5 -5.410 9.401 -1.494 42 HG2 LYS 5 HG2 LYS 5 -5.319 7.237 0.378 43 HG3 LYS 5 HG3 LYS 5 -3.894 8.261 0.568 44 HD2 LYS 5 HD2 LYS 5 -6.696 9.349 0.418 45 HD3 LYS 5 HD3 LYS 5 -5.914 8.911 1.938 46 HE2 LYS 5 HE2 LYS 5 -4.560 10.762 0.016 47 HE3 LYS 5 HE3 LYS 5 -5.813 11.367 1.100 48 HZ1 LYS 5 HZ1 LYS 5 -4.458 11.253 2.851 49 HZ2 LYS 5 HZ2 LYS 5 -3.197 11.160 1.719 50 HZ3 LYS 5 HZ3 LYS 5 -3.821 9.743 2.410 51 H ILE 6 H ILE 6 -7.996 8.025 -1.974 52 HA ILE 6 HA ILE 6 -8.148 8.570 -4.858 53 HB ILE 6 HB ILE 6 -9.608 6.757 -3.496 54 HG12 ILE 6 HG12 ILE 6 -11.326 7.096 -5.394 55 HG13 ILE 6 HG13 ILE 6 -10.259 8.391 -5.929 56 HG21 ILE 6 HG21 ILE 6 -11.955 8.164 -3.675 57 HG22 ILE 6 HG22 ILE 6 -11.113 7.737 -2.187 58 HG23 ILE 6 HG23 ILE 6 -10.855 9.319 -2.924 59 HD11 ILE 6 HD11 ILE 6 -8.560 6.938 -6.479 60 HD12 ILE 6 HD12 ILE 6 -9.160 5.667 -5.414 61 HD13 ILE 6 HD13 ILE 6 -10.001 6.021 -6.923 62 H THR 7 H THR 7 -9.549 10.333 -5.544 63 HA THR 7 HA THR 7 -9.980 12.387 -3.501 64 HB THR 7 HB THR 7 -9.036 13.640 -5.906 65 HG1 THR 7 HG1 THR 7 -7.883 11.363 -5.611 66 HG21 THR 7 HG21 THR 7 -8.835 13.910 -3.089 67 HG22 THR 7 HG22 THR 7 -8.355 15.066 -4.332 68 HG23 THR 7 HG23 THR 7 -7.197 13.878 -3.737 69 H GLY 8 H GLY 8 -12.096 12.611 -3.596 70 HA2 GLY 8 HA3 GLY 8 -13.695 13.977 -5.061 71 HA3 GLY 8 HA2 GLY 8 -13.413 12.698 -6.239 72 H MET 9 H MET 9 -13.216 10.645 -4.225 73 HA MET 9 HA MET 9 -16.010 10.015 -3.955 74 HB2 MET 9 HB2 MET 9 -13.477 8.604 -3.109 75 HB3 MET 9 HB3 MET 9 -15.082 7.949 -2.820 76 HG2 MET 9 HG2 MET 9 -14.202 6.914 -4.768 77 HG3 MET 9 HG3 MET 9 -15.486 8.009 -5.270 78 HE1 MET 9 HE1 MET 9 -13.996 10.228 -7.759 79 HE2 MET 9 HE2 MET 9 -14.881 8.704 -7.828 80 HE3 MET 9 HE3 MET 9 -15.322 9.927 -6.635 81 H THR 10 H THR 10 -17.261 10.345 -2.174 82 HA THR 10 HA THR 10 -15.863 11.537 0.123 83 HB THR 10 HB THR 10 -18.439 12.662 -0.070 84 HG1 THR 10 HG1 THR 10 -17.045 13.037 -2.514 85 HG21 THR 10 HG21 THR 10 -15.699 13.465 0.131 86 HG22 THR 10 HG22 THR 10 -17.149 14.365 0.578 87 HG23 THR 10 HG23 THR 10 -16.513 14.477 -1.063 88 H CYS 11 H CYS 11 -17.916 8.970 -0.665 89 HA CYS 11 HA CYS 11 -18.740 8.433 1.949 90 HB2 CYS 11 HB2 CYS 11 -21.260 9.022 1.480 91 HB3 CYS 11 HB3 CYS 11 -20.164 10.254 2.094 92 H ASP 12 H ASP 12 -20.197 8.283 -1.319 93 HA ASP 12 HA ASP 12 -19.952 5.483 -1.469 94 HB2 ASP 12 HB2 ASP 12 -21.651 5.044 0.023 95 HB3 ASP 12 HB3 ASP 12 -22.447 6.585 -0.260 96 H SER 13 H SER 13 -21.241 4.639 -3.410 97 HA SER 13 HA SER 13 -21.986 4.740 -5.539 98 HB2 SER 13 HB2 SER 13 -22.571 7.646 -4.933 99 HB3 SER 13 HB3 SER 13 -23.096 6.786 -6.382 100 HG SER 13 HG SER 13 -23.835 6.256 -3.684 101 H CYS 14 H CYS 14 -20.326 7.899 -5.047 102 HA CYS 14 HA CYS 14 -18.876 7.752 -7.459 103 HB2 CYS 14 HB2 CYS 14 -17.210 9.213 -5.877 104 HB3 CYS 14 HB3 CYS 14 -18.633 9.877 -6.670 105 H ALA 15 H ALA 15 -18.031 6.860 -4.140 106 HA ALA 15 HA ALA 15 -15.647 5.455 -4.910 107 HB1 ALA 15 HB1 ALA 15 -15.855 6.487 -2.700 108 HB2 ALA 15 HB2 ALA 15 -17.176 5.385 -2.310 109 HB3 ALA 15 HB3 ALA 15 -15.550 4.756 -2.580 110 H ALA 16 H ALA 16 -17.331 4.447 -6.577 111 HA ALA 16 HA ALA 16 -17.562 1.682 -5.868 112 HB1 ALA 16 HB1 ALA 16 -19.881 3.390 -5.576 113 HB2 ALA 16 HB2 ALA 16 -20.161 2.120 -6.767 114 HB3 ALA 16 HB3 ALA 16 -19.669 1.698 -5.126 115 H HIS 17 H HIS 17 -18.661 4.226 -8.110 116 HA HIS 17 HA HIS 17 -18.567 2.736 -10.473 117 HB2 HIS 17 HB2 HIS 17 -19.375 5.155 -10.128 118 HB3 HIS 17 HB3 HIS 17 -17.687 5.607 -10.297 119 HD1 HIS 17 HD1 HIS 17 -20.113 6.338 -12.287 120 HD2 HIS 17 HD2 HIS 17 -17.168 3.457 -12.874 121 HE1 HIS 17 HE1 HIS 17 -19.965 6.011 -14.777 122 HE2 HIS 17 HE2 HIS 17 -18.337 4.110 -15.082 123 H VAL 18 H VAL 18 -16.073 4.450 -8.718 124 HA VAL 18 HA VAL 18 -13.915 4.045 -10.461 125 HB VAL 18 HB VAL 18 -13.847 4.243 -7.441 126 HG11 VAL 18 HG11 VAL 18 -11.621 4.248 -7.531 127 HG12 VAL 18 HG12 VAL 18 -11.786 3.625 -9.173 128 HG13 VAL 18 HG13 VAL 18 -11.603 5.358 -8.902 129 HG21 VAL 18 HG21 VAL 18 -14.329 6.405 -7.609 130 HG22 VAL 18 HG22 VAL 18 -13.084 6.635 -8.837 131 HG23 VAL 18 HG23 VAL 18 -14.709 6.136 -9.310 132 H LYS 19 H LYS 19 -15.084 2.153 -7.707 133 HA LYS 19 HA LYS 19 -13.101 0.149 -7.837 134 HB2 LYS 19 HB2 LYS 19 -14.819 0.724 -5.951 135 HB3 LYS 19 HB3 LYS 19 -15.878 -0.378 -6.822 136 HG2 LYS 19 HG2 LYS 19 -13.301 -1.582 -6.467 137 HG3 LYS 19 HG3 LYS 19 -13.925 -1.015 -4.917 138 HD2 LYS 19 HD2 LYS 19 -16.135 -2.171 -6.047 139 HD3 LYS 19 HD3 LYS 19 -14.833 -3.215 -6.619 140 HE2 LYS 19 HE2 LYS 19 -14.101 -3.011 -4.064 141 HE3 LYS 19 HE3 LYS 19 -15.830 -2.747 -3.866 142 HZ1 LYS 19 HZ1 LYS 19 -15.216 -5.094 -3.655 143 HZ2 LYS 19 HZ2 LYS 19 -14.611 -5.083 -5.243 144 HZ3 LYS 19 HZ3 LYS 19 -16.268 -4.838 -4.964 145 H GLU 20 H GLU 20 -16.255 0.524 -9.379 146 HA GLU 20 HA GLU 20 -16.428 -2.064 -10.480 147 HB2 GLU 20 HB2 GLU 20 -18.221 -0.203 -10.393 148 HB3 GLU 20 HB3 GLU 20 -17.473 0.394 -11.868 149 HG2 GLU 20 HG2 GLU 20 -17.857 -2.329 -12.307 150 HG3 GLU 20 HG3 GLU 20 -19.321 -1.778 -11.495 151 H ALA 21 H ALA 21 -15.240 0.981 -11.892 152 HA ALA 21 HA ALA 21 -14.337 -0.102 -14.316 153 HB1 ALA 21 HB1 ALA 21 -14.134 2.414 -12.922 154 HB2 ALA 21 HB2 ALA 21 -12.615 2.017 -13.727 155 HB3 ALA 21 HB3 ALA 21 -14.114 2.085 -14.654 156 H LEU 22 H LEU 22 -12.738 0.311 -11.207 157 HA LEU 22 HA LEU 22 -10.166 -0.541 -11.988 158 HB2 LEU 22 HB2 LEU 22 -11.602 -0.330 -9.365 159 HB3 LEU 22 HB3 LEU 22 -10.006 -1.046 -9.442 160 HG LEU 22 HG LEU 22 -10.787 1.782 -10.131 161 HD11 LEU 22 HD11 LEU 22 -8.560 1.621 -8.419 162 HD12 LEU 22 HD12 LEU 22 -10.184 2.202 -8.048 163 HD13 LEU 22 HD13 LEU 22 -9.774 0.505 -7.795 164 HD21 LEU 22 HD21 LEU 22 -8.716 0.231 -11.308 165 HD22 LEU 22 HD22 LEU 22 -9.080 1.942 -11.533 166 HD23 LEU 22 HD23 LEU 22 -7.981 1.435 -10.249 167 H GLU 23 H GLU 23 -12.865 -2.312 -10.479 168 HA GLU 23 HA GLU 23 -11.398 -4.770 -10.420 169 HB2 GLU 23 HB2 GLU 23 -14.186 -3.954 -9.737 170 HB3 GLU 23 HB3 GLU 23 -13.833 -5.665 -9.958 171 HG2 GLU 23 HG2 GLU 23 -11.868 -5.204 -8.334 172 HG3 GLU 23 HG3 GLU 23 -12.793 -3.771 -7.901 173 H LYS 24 H LYS 24 -13.143 -3.139 -12.838 174 HA LYS 24 HA LYS 24 -13.807 -5.418 -14.421 175 HB2 LYS 24 HB2 LYS 24 -14.619 -2.951 -14.629 176 HB3 LYS 24 HB3 LYS 24 -13.154 -2.718 -15.573 177 HG2 LYS 24 HG2 LYS 24 -14.081 -3.621 -17.374 178 HG3 LYS 24 HG3 LYS 24 -14.597 -5.048 -16.471 179 HD2 LYS 24 HD2 LYS 24 -16.572 -4.054 -17.307 180 HD3 LYS 24 HD3 LYS 24 -16.506 -3.638 -15.593 181 HE2 LYS 24 HE2 LYS 24 -17.077 -1.624 -16.579 182 HE3 LYS 24 HE3 LYS 24 -15.329 -1.484 -16.415 183 HZ1 LYS 24 HZ1 LYS 24 -15.045 -1.452 -18.615 184 HZ2 LYS 24 HZ2 LYS 24 -16.695 -1.060 -18.694 185 HZ3 LYS 24 HZ3 LYS 24 -16.194 -2.666 -18.906 186 H VAL 25 H VAL 25 -10.931 -3.612 -13.803 187 HA VAL 25 HA VAL 25 -9.456 -4.645 -16.057 188 HB VAL 25 HB VAL 25 -8.364 -3.285 -13.586 189 HG11 VAL 25 HG11 VAL 25 -7.244 -3.837 -16.316 190 HG12 VAL 25 HG12 VAL 25 -6.574 -2.600 -15.252 191 HG13 VAL 25 HG13 VAL 25 -6.587 -4.288 -14.743 192 HG21 VAL 25 HG21 VAL 25 -10.075 -1.888 -14.666 193 HG22 VAL 25 HG22 VAL 25 -8.462 -1.193 -14.811 194 HG23 VAL 25 HG23 VAL 25 -9.196 -2.010 -16.190 195 HA PRO 26 HA PRO 26 -8.558 -8.513 -13.998 196 HB2 PRO 26 HB2 PRO 26 -6.536 -8.818 -16.123 197 HB3 PRO 26 HB3 PRO 26 -7.929 -9.836 -15.745 198 HG2 PRO 26 HG2 PRO 26 -7.882 -8.282 -17.929 199 HG3 PRO 26 HG3 PRO 26 -9.375 -8.562 -17.014 200 HD2 PRO 26 HD2 PRO 26 -7.556 -6.180 -16.982 201 HD3 PRO 26 HD3 PRO 26 -9.332 -6.241 -16.980 202 H GLY 27 H GLY 27 -7.070 -9.176 -12.543 203 HA2 GLY 27 HA3 GLY 27 -4.697 -9.289 -11.879 204 HA3 GLY 27 HA2 GLY 27 -4.559 -7.613 -12.399 205 H VAL 28 H VAL 28 -7.514 -8.064 -11.019 206 HA VAL 28 HA VAL 28 -6.660 -6.792 -8.535 207 HB VAL 28 HB VAL 28 -9.408 -7.139 -9.742 208 HG11 VAL 28 HG11 VAL 28 -10.241 -6.703 -7.722 209 HG12 VAL 28 HG12 VAL 28 -8.627 -6.451 -7.054 210 HG13 VAL 28 HG13 VAL 28 -9.484 -5.112 -7.817 211 HG21 VAL 28 HG21 VAL 28 -8.307 -5.558 -11.050 212 HG22 VAL 28 HG22 VAL 28 -9.194 -4.585 -9.875 213 HG23 VAL 28 HG23 VAL 28 -7.464 -4.861 -9.666 214 H GLN 29 H GLN 29 -7.231 -7.605 -6.500 215 HA GLN 29 HA GLN 29 -8.354 -10.318 -6.429 216 HB2 GLN 29 HB2 GLN 29 -6.005 -10.660 -6.164 217 HB3 GLN 29 HB3 GLN 29 -5.866 -9.310 -5.049 218 HG2 GLN 29 HG2 GLN 29 -7.528 -10.769 -3.617 219 HG3 GLN 29 HG3 GLN 29 -6.838 -12.073 -4.583 220 HE21 GLN 29 HE21 GLN 29 -5.253 -13.057 -3.616 221 HE22 GLN 29 HE22 GLN 29 -4.081 -12.336 -2.560 222 H SER 30 H SER 30 -7.642 -7.327 -4.687 223 HA SER 30 HA SER 30 -10.267 -7.486 -3.474 224 HB2 SER 30 HB2 SER 30 -8.225 -6.733 -1.489 225 HB3 SER 30 HB3 SER 30 -9.670 -7.721 -1.298 226 HG SER 30 HG SER 30 -8.562 -9.492 -2.041 227 H ALA 31 H ALA 31 -11.189 -5.563 -3.557 228 HA ALA 31 HA ALA 31 -9.457 -3.176 -3.660 229 HB1 ALA 31 HB1 ALA 31 -11.198 -4.106 -5.642 230 HB2 ALA 31 HB2 ALA 31 -12.018 -2.734 -4.897 231 HB3 ALA 31 HB3 ALA 31 -10.400 -2.534 -5.571 232 H LEU 32 H LEU 32 -9.655 -2.940 -1.400 233 HA LEU 32 HA LEU 32 -12.313 -2.619 -0.272 234 HB2 LEU 32 HB2 LEU 32 -9.654 -2.272 1.105 235 HB3 LEU 32 HB3 LEU 32 -11.219 -2.498 1.861 236 HG LEU 32 HG LEU 32 -10.411 -4.674 0.054 237 HD11 LEU 32 HD11 LEU 32 -8.653 -3.748 2.218 238 HD12 LEU 32 HD12 LEU 32 -9.051 -5.466 2.252 239 HD13 LEU 32 HD13 LEU 32 -8.303 -4.762 0.818 240 HD21 LEU 32 HD21 LEU 32 -12.319 -5.142 1.252 241 HD22 LEU 32 HD22 LEU 32 -11.085 -5.899 2.261 242 HD23 LEU 32 HD23 LEU 32 -11.741 -4.320 2.701 243 H VAL 33 H VAL 33 -12.804 -0.755 -1.596 244 HA VAL 33 HA VAL 33 -11.353 1.684 -1.197 245 HB VAL 33 HB VAL 33 -13.489 2.674 -2.304 246 HG11 VAL 33 HG11 VAL 33 -11.198 2.223 -3.308 247 HG12 VAL 33 HG12 VAL 33 -11.900 0.746 -3.971 248 HG13 VAL 33 HG13 VAL 33 -12.554 2.320 -4.430 249 HG21 VAL 33 HG21 VAL 33 -14.384 0.056 -1.952 250 HG22 VAL 33 HG22 VAL 33 -15.143 1.317 -2.924 251 HG23 VAL 33 HG23 VAL 33 -14.015 0.185 -3.673 252 H SER 34 H SER 34 -11.471 2.883 0.550 253 HA SER 34 HA SER 34 -13.799 2.664 2.305 254 HB2 SER 34 HB2 SER 34 -11.392 4.336 2.936 255 HB3 SER 34 HB3 SER 34 -12.431 3.415 4.027 256 HG SER 34 HG SER 34 -11.188 1.818 2.205 257 H TYR 35 H TYR 35 -15.389 3.888 1.524 258 HA TYR 35 HA TYR 35 -15.085 6.130 -0.099 259 HB2 TYR 35 HB2 TYR 35 -17.608 6.087 1.385 260 HB3 TYR 35 HB3 TYR 35 -17.321 6.047 -0.332 261 HD1 TYR 35 HD1 TYR 35 -16.774 3.825 -1.408 262 HD2 TYR 35 HD2 TYR 35 -18.168 4.130 2.596 263 HE1 TYR 35 HE1 TYR 35 -17.372 1.445 -1.444 264 HE2 TYR 35 HE2 TYR 35 -18.776 1.746 2.570 265 HH TYR 35 HH TYR 35 -19.395 0.021 0.449 266 HA PRO 36 HA PRO 36 -16.202 8.991 3.599 267 HB2 PRO 36 HB2 PRO 36 -15.598 7.496 6.047 268 HB3 PRO 36 HB3 PRO 36 -17.062 8.378 5.608 269 HG2 PRO 36 HG2 PRO 36 -16.992 5.687 5.742 270 HG3 PRO 36 HG3 PRO 36 -18.015 6.552 4.580 271 HD2 PRO 36 HD2 PRO 36 -15.369 5.214 4.151 272 HD3 PRO 36 HD3 PRO 36 -16.817 5.203 3.122 273 H LYS 37 H LYS 37 -13.506 6.848 3.624 274 HA LYS 37 HA LYS 37 -11.838 8.764 5.064 275 HB2 LYS 37 HB2 LYS 37 -11.831 6.159 5.358 276 HB3 LYS 37 HB3 LYS 37 -10.791 6.202 3.942 277 HG2 LYS 37 HG2 LYS 37 -9.039 6.925 5.108 278 HG3 LYS 37 HG3 LYS 37 -9.999 8.115 5.991 279 HD2 LYS 37 HD2 LYS 37 -10.222 6.769 7.765 280 HD3 LYS 37 HD3 LYS 37 -10.587 5.363 6.761 281 HE2 LYS 37 HE2 LYS 37 -8.133 5.213 6.253 282 HE3 LYS 37 HE3 LYS 37 -7.873 6.470 7.464 283 HZ1 LYS 37 HZ1 LYS 37 -9.320 3.972 8.112 284 HZ2 LYS 37 HZ2 LYS 37 -8.591 5.076 9.171 285 HZ3 LYS 37 HZ3 LYS 37 -7.630 4.067 8.203 286 H GLY 38 H GLY 38 -12.300 7.383 1.872 287 HA2 GLY 38 HA3 GLY 38 -11.676 8.358 -0.161 288 HA3 GLY 38 HA2 GLY 38 -10.688 9.514 0.725 289 H THR 39 H THR 39 -10.445 6.116 1.368 290 HA THR 39 HA THR 39 -7.808 6.111 0.049 291 HB THR 39 HB THR 39 -8.235 4.144 2.193 292 HG1 THR 39 HG1 THR 39 -7.593 6.530 3.333 293 HG21 THR 39 HG21 THR 39 -6.069 6.137 1.526 294 HG22 THR 39 HG22 THR 39 -6.070 4.407 1.180 295 HG23 THR 39 HG23 THR 39 -5.978 4.974 2.849 296 H ALA 40 H ALA 40 -7.224 4.328 -1.160 297 HA ALA 40 HA ALA 40 -9.372 2.365 -1.620 298 HB1 ALA 40 HB1 ALA 40 -7.610 2.374 -3.825 299 HB2 ALA 40 HB2 ALA 40 -9.286 2.921 -3.772 300 HB3 ALA 40 HB3 ALA 40 -7.977 4.059 -3.453 301 H GLN 41 H GLN 41 -8.716 0.776 -0.252 302 HA GLN 41 HA GLN 41 -5.960 -0.064 -0.122 303 HB2 GLN 41 HB2 GLN 41 -8.413 -1.440 0.996 304 HB3 GLN 41 HB3 GLN 41 -6.740 -1.748 1.446 305 HG2 GLN 41 HG2 GLN 41 -8.237 0.823 1.909 306 HG3 GLN 41 HG3 GLN 41 -7.919 -0.416 3.121 307 HE21 GLN 41 HE21 GLN 41 -6.066 -0.355 4.211 308 HE22 GLN 41 HE22 GLN 41 -4.750 0.723 3.887 309 H LEU 42 H LEU 42 -5.575 -0.545 -2.291 310 HA LEU 42 HA LEU 42 -7.139 -2.675 -3.516 311 HB2 LEU 42 HB2 LEU 42 -5.359 -0.520 -4.507 312 HB3 LEU 42 HB3 LEU 42 -5.418 -2.003 -5.443 313 HG LEU 42 HG LEU 42 -8.021 -0.802 -4.693 314 HD11 LEU 42 HD11 LEU 42 -7.180 1.231 -5.325 315 HD12 LEU 42 HD12 LEU 42 -6.008 0.522 -6.437 316 HD13 LEU 42 HD13 LEU 42 -7.713 0.594 -6.881 317 HD21 LEU 42 HD21 LEU 42 -7.840 -1.420 -7.419 318 HD22 LEU 42 HD22 LEU 42 -6.951 -2.688 -6.574 319 HD23 LEU 42 HD23 LEU 42 -8.632 -2.359 -6.154 320 H ALA 43 H ALA 43 -6.508 -4.647 -3.279 321 HA ALA 43 HA ALA 43 -3.662 -5.277 -3.023 322 HB1 ALA 43 HB1 ALA 43 -5.059 -6.252 -1.303 323 HB2 ALA 43 HB2 ALA 43 -6.117 -6.962 -2.523 324 HB3 ALA 43 HB3 ALA 43 -4.454 -7.529 -2.360 325 H ILE 44 H ILE 44 -3.266 -4.805 -5.216 326 HA ILE 44 HA ILE 44 -4.549 -6.425 -7.247 327 HB ILE 44 HB ILE 44 -2.552 -5.236 -8.607 328 HG12 ILE 44 HG12 ILE 44 -3.156 -2.846 -7.100 329 HG13 ILE 44 HG13 ILE 44 -2.379 -4.037 -6.059 330 HG21 ILE 44 HG21 ILE 44 -4.744 -5.003 -9.358 331 HG22 ILE 44 HG22 ILE 44 -5.276 -4.237 -7.860 332 HG23 ILE 44 HG23 ILE 44 -4.248 -3.352 -8.989 333 HD11 ILE 44 HD11 ILE 44 -0.974 -2.307 -7.426 334 HD12 ILE 44 HD12 ILE 44 -0.415 -3.968 -7.222 335 HD13 ILE 44 HD13 ILE 44 -1.193 -3.478 -8.728 336 H VAL 45 H VAL 45 -3.548 -7.969 -8.492 337 HA VAL 45 HA VAL 45 -1.565 -9.525 -7.142 338 HB VAL 45 HB VAL 45 -2.586 -9.958 -9.927 339 HG11 VAL 45 HG11 VAL 45 -1.492 -11.889 -9.889 340 HG12 VAL 45 HG12 VAL 45 -0.691 -11.317 -8.425 341 HG13 VAL 45 HG13 VAL 45 -2.150 -12.303 -8.305 342 HG21 VAL 45 HG21 VAL 45 -4.330 -9.661 -7.983 343 HG22 VAL 45 HG22 VAL 45 -4.517 -10.942 -9.180 344 HG23 VAL 45 HG23 VAL 45 -3.843 -11.312 -7.593 345 HA PRO 46 HA PRO 46 2.142 -7.583 -8.651 346 HB2 PRO 46 HB2 PRO 46 2.979 -10.463 -8.624 347 HB3 PRO 46 HB3 PRO 46 3.845 -9.037 -8.037 348 HG2 PRO 46 HG2 PRO 46 2.589 -10.632 -6.327 349 HG3 PRO 46 HG3 PRO 46 2.540 -8.871 -6.120 350 HD2 PRO 46 HD2 PRO 46 0.416 -10.725 -7.066 351 HD3 PRO 46 HD3 PRO 46 0.271 -9.194 -6.182 352 H GLY 47 H GLY 47 2.243 -6.930 -10.675 353 HA2 GLY 47 HA3 GLY 47 3.052 -7.995 -12.939 354 HA3 GLY 47 HA2 GLY 47 1.448 -8.720 -12.843 355 H THR 48 H THR 48 0.057 -6.654 -11.674 356 HA THR 48 HA THR 48 -0.055 -4.612 -13.717 357 HB THR 48 HB THR 48 -1.665 -4.046 -11.390 358 HG1 THR 48 HG1 THR 48 -2.837 -6.258 -12.286 359 HG21 THR 48 HG21 THR 48 -2.202 -4.732 -14.271 360 HG22 THR 48 HG22 THR 48 -2.339 -3.166 -13.471 361 HG23 THR 48 HG23 THR 48 -3.507 -4.439 -13.121 362 H SER 49 H SER 49 -0.640 -2.344 -12.384 363 HA SER 49 HA SER 49 1.478 -1.873 -10.499 364 HB2 SER 49 HB2 SER 49 1.506 0.032 -12.777 365 HB3 SER 49 HB3 SER 49 2.837 -0.533 -11.768 366 HG SER 49 HG SER 49 2.766 -2.511 -12.902 367 HA PRO 50 HA PRO 50 -1.561 0.916 -8.901 368 HB2 PRO 50 HB2 PRO 50 0.708 2.565 -7.941 369 HB3 PRO 50 HB3 PRO 50 -0.604 1.817 -7.021 370 HG2 PRO 50 HG2 PRO 50 1.877 0.831 -6.928 371 HG3 PRO 50 HG3 PRO 50 0.464 -0.241 -6.921 372 HD2 PRO 50 HD2 PRO 50 2.320 0.436 -9.169 373 HD3 PRO 50 HD3 PRO 50 1.597 -1.127 -8.737 374 H ASP 51 H ASP 51 1.138 2.122 -10.764 375 HA ASP 51 HA ASP 51 0.188 4.689 -11.368 376 HB2 ASP 51 HB2 ASP 51 2.434 4.110 -11.967 377 HB3 ASP 51 HB3 ASP 51 1.895 2.746 -12.936 378 H ALA 52 H ALA 52 -0.702 1.538 -12.549 379 HA ALA 52 HA ALA 52 -2.071 2.506 -14.888 380 HB1 ALA 52 HB1 ALA 52 -1.788 0.381 -15.476 381 HB2 ALA 52 HB2 ALA 52 -1.296 -0.046 -13.836 382 HB3 ALA 52 HB3 ALA 52 -3.003 -0.075 -14.280 383 H LEU 53 H LEU 53 -2.931 1.537 -11.637 384 HA LEU 53 HA LEU 53 -5.751 1.608 -12.057 385 HB2 LEU 53 HB2 LEU 53 -4.114 1.653 -9.535 386 HB3 LEU 53 HB3 LEU 53 -5.860 1.525 -9.571 387 HG LEU 53 HG LEU 53 -4.697 -0.502 -11.246 388 HD11 LEU 53 HD11 LEU 53 -3.628 -1.811 -9.426 389 HD12 LEU 53 HD12 LEU 53 -2.729 -0.363 -9.880 390 HD13 LEU 53 HD13 LEU 53 -3.697 -0.374 -8.406 391 HD21 LEU 53 HD21 LEU 53 -5.861 -1.742 -9.091 392 HD22 LEU 53 HD22 LEU 53 -6.694 -0.188 -9.148 393 HD23 LEU 53 HD23 LEU 53 -6.690 -1.241 -10.564 394 H THR 54 H THR 54 -3.371 3.738 -10.562 395 HA THR 54 HA THR 54 -5.058 5.845 -9.869 396 HB THR 54 HB THR 54 -2.196 6.076 -10.802 397 HG1 THR 54 HG1 THR 54 -2.149 4.628 -9.144 398 HG21 THR 54 HG21 THR 54 -2.189 8.183 -10.025 399 HG22 THR 54 HG22 THR 54 -3.199 7.778 -8.636 400 HG23 THR 54 HG23 THR 54 -3.939 8.077 -10.210 401 H ALA 55 H ALA 55 -3.314 5.146 -12.871 402 HA ALA 55 HA ALA 55 -4.084 7.485 -14.269 403 HB1 ALA 55 HB1 ALA 55 -3.064 4.809 -15.151 404 HB2 ALA 55 HB2 ALA 55 -3.556 6.032 -16.322 405 HB3 ALA 55 HB3 ALA 55 -2.250 6.373 -15.185 406 H ALA 56 H ALA 56 -5.534 4.293 -13.935 407 HA ALA 56 HA ALA 56 -7.578 4.618 -15.849 408 HB1 ALA 56 HB1 ALA 56 -8.170 2.549 -15.243 409 HB2 ALA 56 HB2 ALA 56 -6.765 2.583 -14.177 410 HB3 ALA 56 HB3 ALA 56 -8.357 3.008 -13.551 411 H VAL 57 H VAL 57 -7.437 5.336 -12.383 412 HA VAL 57 HA VAL 57 -10.123 6.267 -12.203 413 HB VAL 57 HB VAL 57 -7.801 6.945 -10.387 414 HG11 VAL 57 HG11 VAL 57 -9.792 8.403 -10.168 415 HG12 VAL 57 HG12 VAL 57 -10.767 6.973 -9.827 416 HG13 VAL 57 HG13 VAL 57 -9.475 7.445 -8.721 417 HG21 VAL 57 HG21 VAL 57 -8.314 4.472 -10.749 418 HG22 VAL 57 HG22 VAL 57 -8.300 5.058 -9.086 419 HG23 VAL 57 HG23 VAL 57 -9.834 4.786 -9.911 420 H ALA 58 H ALA 58 -6.977 7.825 -12.694 421 HA ALA 58 HA ALA 58 -7.892 10.497 -12.618 422 HB1 ALA 58 HB1 ALA 58 -5.460 9.103 -13.490 423 HB2 ALA 58 HB2 ALA 58 -5.772 10.632 -14.310 424 HB3 ALA 58 HB3 ALA 58 -5.645 10.584 -12.552 425 H GLY 59 H GLY 59 -7.599 8.165 -15.248 426 HA2 GLY 59 HA3 GLY 59 -8.537 10.012 -17.252 427 HA3 GLY 59 HA2 GLY 59 -8.237 8.293 -17.466 428 H LEU 60 H LEU 60 -10.015 7.925 -14.959 429 HA LEU 60 HA LEU 60 -12.478 7.547 -16.369 430 HB2 LEU 60 HB2 LEU 60 -11.331 6.742 -13.879 431 HB3 LEU 60 HB3 LEU 60 -12.932 7.386 -13.599 432 HG LEU 60 HG LEU 60 -12.668 4.874 -14.008 433 HD11 LEU 60 HD11 LEU 60 -14.696 6.740 -15.038 434 HD12 LEU 60 HD12 LEU 60 -14.783 5.082 -15.635 435 HD13 LEU 60 HD13 LEU 60 -14.852 5.401 -13.901 436 HD21 LEU 60 HD21 LEU 60 -12.547 5.856 -16.854 437 HD22 LEU 60 HD22 LEU 60 -11.256 5.017 -15.991 438 HD23 LEU 60 HD23 LEU 60 -12.768 4.181 -16.348 439 H GLY 61 H GLY 61 -11.142 10.309 -15.319 440 HA2 GLY 61 HA3 GLY 61 -12.197 12.411 -15.392 441 HA3 GLY 61 HA2 GLY 61 -13.745 11.614 -15.154 442 H TYR 62 H TYR 62 -11.538 10.379 -13.015 443 HA TYR 62 HA TYR 62 -12.503 12.157 -10.877 444 HB2 TYR 62 HB2 TYR 62 -11.483 9.315 -10.642 445 HB3 TYR 62 HB3 TYR 62 -12.177 10.289 -9.351 446 HD1 TYR 62 HD2 TYR 62 -14.617 11.306 -10.133 447 HD2 TYR 62 HD1 TYR 62 -12.855 7.660 -11.433 448 HE1 TYR 62 HE2 TYR 62 -16.851 10.424 -10.662 449 HE2 TYR 62 HE1 TYR 62 -15.083 6.766 -11.967 450 HH TYR 62 HH TYR 62 -17.580 8.262 -12.558 451 H LYS 63 H LYS 63 -10.669 11.273 -8.929 452 HA LYS 63 HA LYS 63 -8.046 11.998 -10.019 453 HB2 LYS 63 HB2 LYS 63 -9.679 13.641 -8.338 454 HB3 LYS 63 HB3 LYS 63 -8.269 13.129 -7.421 455 HG2 LYS 63 HG2 LYS 63 -7.029 14.637 -8.446 456 HG3 LYS 63 HG3 LYS 63 -7.425 13.936 -10.017 457 HD2 LYS 63 HD2 LYS 63 -9.695 15.374 -9.168 458 HD3 LYS 63 HD3 LYS 63 -8.296 16.408 -8.870 459 HE2 LYS 63 HE2 LYS 63 -8.740 14.987 -11.482 460 HE3 LYS 63 HE3 LYS 63 -9.387 16.595 -11.152 461 HZ1 LYS 63 HZ1 LYS 63 -6.535 15.780 -11.226 462 HZ2 LYS 63 HZ2 LYS 63 -7.059 17.283 -10.640 463 HZ3 LYS 63 HZ3 LYS 63 -7.328 16.863 -12.263 464 H ALA 64 H ALA 64 -6.343 10.964 -9.055 465 HA ALA 64 HA ALA 64 -6.806 9.431 -6.622 466 HB1 ALA 64 HB1 ALA 64 -6.173 7.320 -7.530 467 HB2 ALA 64 HB2 ALA 64 -7.458 7.963 -8.552 468 HB3 ALA 64 HB3 ALA 64 -5.781 8.042 -9.092 469 H THR 65 H THR 65 -4.890 8.791 -5.573 470 HA THR 65 HA THR 65 -2.375 9.776 -6.706 471 HB THR 65 HB THR 65 -2.507 10.341 -3.868 472 HG1 THR 65 HG1 THR 65 -4.772 10.766 -4.984 473 HG21 THR 65 HG21 THR 65 -1.195 12.077 -4.472 474 HG22 THR 65 HG22 THR 65 -2.260 12.547 -5.797 475 HG23 THR 65 HG23 THR 65 -1.104 11.234 -6.019 476 H LEU 66 H LEU 66 -1.199 7.965 -6.801 477 HA LEU 66 HA LEU 66 -1.523 5.674 -5.264 478 HB2 LEU 66 HB2 LEU 66 0.895 5.190 -5.926 479 HB3 LEU 66 HB3 LEU 66 -0.270 5.412 -7.216 480 HG LEU 66 HG LEU 66 0.934 7.939 -6.605 481 HD11 LEU 66 HD11 LEU 66 2.703 5.750 -6.227 482 HD12 LEU 66 HD12 LEU 66 3.152 6.577 -7.720 483 HD13 LEU 66 HD13 LEU 66 3.062 7.477 -6.206 484 HD21 LEU 66 HD21 LEU 66 1.500 6.349 -9.068 485 HD22 LEU 66 HD22 LEU 66 -0.142 6.906 -8.749 486 HD23 LEU 66 HD23 LEU 66 1.173 8.072 -8.893 487 H ALA 67 H ALA 67 -0.872 5.039 -3.282 488 HA ALA 67 HA ALA 67 1.009 6.620 -1.759 489 HB1 ALA 67 HB1 ALA 67 -1.005 7.939 -1.487 490 HB2 ALA 67 HB2 ALA 67 -1.908 6.505 -1.000 491 HB3 ALA 67 HB3 ALA 67 -0.617 7.125 0.030 492 H ASP 68 H ASP 68 2.215 5.063 -0.984 493 HA ASP 68 HA ASP 68 1.262 2.400 -0.557 494 HB2 ASP 68 HB2 ASP 68 3.740 3.532 -1.010 495 HB3 ASP 68 HB3 ASP 68 3.831 3.030 0.675 496 H ALA 69 H ALA 69 2.459 4.938 1.661 497 HA ALA 69 HA ALA 69 0.749 3.889 3.754 498 HB1 ALA 69 HB1 ALA 69 3.430 3.046 3.608 499 HB2 ALA 69 HB2 ALA 69 3.336 4.205 4.934 500 HB3 ALA 69 HB3 ALA 69 2.284 2.789 4.923 Start of MODEL 15 1 H1 MET 1 H1 MET 1 0.696 -4.793 -4.673 2 H2 MET 1 H2 MET 1 -0.757 -5.338 -5.346 3 H3 MET 1 H3 MET 1 0.269 -6.428 -4.564 4 HA MET 1 HA MET 1 -1.855 -5.291 -3.419 5 HB2 MET 1 HB2 MET 1 0.744 -6.165 -2.135 6 HB3 MET 1 HB3 MET 1 -0.755 -5.916 -1.250 7 HG2 MET 1 HG2 MET 1 -0.609 -8.223 -1.609 8 HG3 MET 1 HG3 MET 1 -1.787 -7.640 -2.783 9 HE1 MET 1 HE1 MET 1 2.118 -9.783 -3.563 10 HE2 MET 1 HE2 MET 1 1.805 -8.827 -2.115 11 HE3 MET 1 HE3 MET 1 0.804 -10.232 -2.476 12 H THR 2 H THR 2 -2.173 -3.098 -3.641 13 HA THR 2 HA THR 2 -0.512 -1.360 -1.995 14 HB THR 2 HB THR 2 -1.032 -0.048 -4.519 15 HG1 THR 2 HG1 THR 2 0.865 -2.127 -4.775 16 HG21 THR 2 HG21 THR 2 1.531 0.157 -4.389 17 HG22 THR 2 HG22 THR 2 1.374 -0.639 -2.823 18 HG23 THR 2 HG23 THR 2 0.576 0.907 -3.110 19 H HIS 3 H HIS 3 -1.575 0.608 -1.420 20 HA HIS 3 HA HIS 3 -4.367 0.794 -2.325 21 HB2 HIS 3 HB2 HIS 3 -4.976 1.718 -0.090 22 HB3 HIS 3 HB3 HIS 3 -4.475 0.037 -0.042 23 HD1 HIS 3 HD1 HIS 3 -2.439 -0.549 1.375 24 HD2 HIS 3 HD2 HIS 3 -3.209 3.541 1.184 25 HE1 HIS 3 HE1 HIS 3 -0.980 0.507 3.137 26 HE2 HIS 3 HE2 HIS 3 -1.468 2.983 3.024 27 H LEU 4 H LEU 4 -4.938 2.677 -3.181 28 HA LEU 4 HA LEU 4 -2.980 4.868 -3.005 29 HB2 LEU 4 HB2 LEU 4 -4.743 5.414 -5.113 30 HB3 LEU 4 HB3 LEU 4 -3.068 4.916 -5.227 31 HG LEU 4 HG LEU 4 -4.978 2.707 -4.869 32 HD11 LEU 4 HD11 LEU 4 -5.371 4.726 -6.941 33 HD12 LEU 4 HD12 LEU 4 -5.183 3.088 -7.570 34 HD13 LEU 4 HD13 LEU 4 -6.443 3.440 -6.387 35 HD21 LEU 4 HD21 LEU 4 -2.887 3.108 -6.990 36 HD22 LEU 4 HD22 LEU 4 -2.480 2.594 -5.354 37 HD23 LEU 4 HD23 LEU 4 -3.534 1.595 -6.356 38 H LYS 5 H LYS 5 -3.979 7.079 -3.273 39 HA LYS 5 HA LYS 5 -6.306 7.213 -1.488 40 HB2 LYS 5 HB2 LYS 5 -4.269 8.338 -0.704 41 HB3 LYS 5 HB3 LYS 5 -4.234 9.310 -2.169 42 HG2 LYS 5 HG2 LYS 5 -6.628 10.031 -1.377 43 HG3 LYS 5 HG3 LYS 5 -6.030 9.500 0.198 44 HD2 LYS 5 HD2 LYS 5 -5.565 11.830 0.022 45 HD3 LYS 5 HD3 LYS 5 -4.033 10.977 -0.175 46 HE2 LYS 5 HE2 LYS 5 -4.725 11.106 -2.732 47 HE3 LYS 5 HE3 LYS 5 -5.632 12.506 -2.160 48 HZ1 LYS 5 HZ1 LYS 5 -2.717 12.070 -2.203 49 HZ2 LYS 5 HZ2 LYS 5 -3.388 13.131 -1.060 50 HZ3 LYS 5 HZ3 LYS 5 -3.610 13.419 -2.713 51 H ILE 6 H ILE 6 -8.205 7.866 -2.279 52 HA ILE 6 HA ILE 6 -8.250 8.942 -5.003 53 HB ILE 6 HB ILE 6 -9.672 7.128 -5.019 54 HG12 ILE 6 HG12 ILE 6 -12.023 8.535 -4.219 55 HG13 ILE 6 HG13 ILE 6 -10.934 9.676 -5.002 56 HG21 ILE 6 HG21 ILE 6 -10.210 7.818 -2.183 57 HG22 ILE 6 HG22 ILE 6 -11.418 6.886 -3.069 58 HG23 ILE 6 HG23 ILE 6 -9.771 6.273 -2.913 59 HD11 ILE 6 HD11 ILE 6 -12.469 8.686 -6.595 60 HD12 ILE 6 HD12 ILE 6 -10.807 8.210 -6.949 61 HD13 ILE 6 HD13 ILE 6 -11.901 7.073 -6.163 62 H THR 7 H THR 7 -9.091 10.909 -5.476 63 HA THR 7 HA THR 7 -9.837 12.600 -3.171 64 HB THR 7 HB THR 7 -8.678 14.305 -5.040 65 HG1 THR 7 HG1 THR 7 -7.709 11.789 -5.314 66 HG21 THR 7 HG21 THR 7 -8.505 14.236 -2.499 67 HG22 THR 7 HG22 THR 7 -7.046 14.709 -3.370 68 HG23 THR 7 HG23 THR 7 -7.196 13.075 -2.724 69 H GLY 8 H GLY 8 -10.098 11.987 -6.612 70 HA2 GLY 8 HA3 GLY 8 -12.126 13.969 -7.056 71 HA3 GLY 8 HA2 GLY 8 -11.629 12.705 -8.175 72 H MET 9 H MET 9 -13.204 13.028 -5.039 73 HA MET 9 HA MET 9 -15.343 12.485 -4.402 74 HB2 MET 9 HB2 MET 9 -15.490 11.793 -7.218 75 HB3 MET 9 HB3 MET 9 -16.379 10.645 -6.227 76 HG2 MET 9 HG2 MET 9 -17.559 12.759 -7.163 77 HG3 MET 9 HG3 MET 9 -17.894 12.205 -5.525 78 HE1 MET 9 HE1 MET 9 -18.328 15.562 -6.598 79 HE2 MET 9 HE2 MET 9 -19.031 14.421 -5.450 80 HE3 MET 9 HE3 MET 9 -18.242 15.886 -4.865 81 H THR 10 H THR 10 -14.067 11.428 -2.823 82 HA THR 10 HA THR 10 -13.525 8.595 -3.109 83 HB THR 10 HB THR 10 -12.076 10.255 -1.838 84 HG1 THR 10 HG1 THR 10 -12.911 7.729 -0.952 85 HG21 THR 10 HG21 THR 10 -14.386 10.037 0.049 86 HG22 THR 10 HG22 THR 10 -13.480 11.469 -0.446 87 HG23 THR 10 HG23 THR 10 -12.753 10.303 0.661 88 H CYS 11 H CYS 11 -15.992 10.606 -1.953 89 HA CYS 11 HA CYS 11 -17.205 9.132 0.052 90 HB2 CYS 11 HB2 CYS 11 -19.210 10.337 -1.589 91 HB3 CYS 11 HB3 CYS 11 -18.607 10.858 -0.022 92 H ASP 12 H ASP 12 -19.263 7.994 -0.009 93 HA ASP 12 HA ASP 12 -18.990 5.609 -1.456 94 HB2 ASP 12 HB2 ASP 12 -20.141 5.196 0.462 95 HB3 ASP 12 HB3 ASP 12 -20.908 6.776 0.464 96 H SER 13 H SER 13 -20.646 4.631 -2.884 97 HA SER 13 HA SER 13 -21.909 4.549 -4.767 98 HB2 SER 13 HB2 SER 13 -22.271 7.554 -4.568 99 HB3 SER 13 HB3 SER 13 -23.203 6.439 -5.568 100 HG SER 13 HG SER 13 -23.092 6.033 -2.782 101 H CYS 14 H CYS 14 -19.932 7.527 -4.775 102 HA CYS 14 HA CYS 14 -18.912 7.082 -7.396 103 HB2 CYS 14 HB2 CYS 14 -17.240 8.538 -5.421 104 HB3 CYS 14 HB3 CYS 14 -17.712 9.002 -7.054 105 H ALA 15 H ALA 15 -17.715 6.405 -4.129 106 HA ALA 15 HA ALA 15 -15.490 4.834 -5.000 107 HB1 ALA 15 HB1 ALA 15 -15.264 5.765 -2.860 108 HB2 ALA 15 HB2 ALA 15 -16.858 5.208 -2.354 109 HB3 ALA 15 HB3 ALA 15 -15.547 4.049 -2.569 110 H ALA 16 H ALA 16 -17.348 3.893 -6.507 111 HA ALA 16 HA ALA 16 -17.639 1.135 -5.779 112 HB1 ALA 16 HB1 ALA 16 -19.845 2.940 -5.317 113 HB2 ALA 16 HB2 ALA 16 -20.269 1.727 -6.525 114 HB3 ALA 16 HB3 ALA 16 -19.704 1.226 -4.931 115 H HIS 17 H HIS 17 -18.739 3.741 -7.947 116 HA HIS 17 HA HIS 17 -18.798 2.191 -10.300 117 HB2 HIS 17 HB2 HIS 17 -19.552 4.683 -9.791 118 HB3 HIS 17 HB3 HIS 17 -17.947 5.043 -10.412 119 HD1 HIS 17 HD1 HIS 17 -20.290 6.090 -11.998 120 HD2 HIS 17 HD2 HIS 17 -18.639 2.323 -12.640 121 HE1 HIS 17 HE1 HIS 17 -20.927 5.457 -14.347 122 HE2 HIS 17 HE2 HIS 17 -20.059 3.110 -14.654 123 H VAL 18 H VAL 18 -16.290 4.145 -8.807 124 HA VAL 18 HA VAL 18 -14.246 3.626 -10.679 125 HB VAL 18 HB VAL 18 -13.808 4.167 -7.741 126 HG11 VAL 18 HG11 VAL 18 -12.165 4.541 -10.223 127 HG12 VAL 18 HG12 VAL 18 -11.823 5.434 -8.741 128 HG13 VAL 18 HG13 VAL 18 -11.753 3.673 -8.744 129 HG21 VAL 18 HG21 VAL 18 -15.169 5.949 -8.179 130 HG22 VAL 18 HG22 VAL 18 -13.627 6.612 -8.723 131 HG23 VAL 18 HG23 VAL 18 -14.774 5.971 -9.898 132 H LYS 19 H LYS 19 -15.254 2.044 -7.698 133 HA LYS 19 HA LYS 19 -13.224 0.105 -7.562 134 HB2 LYS 19 HB2 LYS 19 -14.513 0.365 -5.618 135 HB3 LYS 19 HB3 LYS 19 -16.032 0.275 -6.491 136 HG2 LYS 19 HG2 LYS 19 -15.173 -2.163 -6.990 137 HG3 LYS 19 HG3 LYS 19 -14.260 -1.888 -5.511 138 HD2 LYS 19 HD2 LYS 19 -16.832 -0.963 -4.958 139 HD3 LYS 19 HD3 LYS 19 -17.070 -2.461 -5.862 140 HE2 LYS 19 HE2 LYS 19 -15.179 -2.253 -3.535 141 HE3 LYS 19 HE3 LYS 19 -16.882 -2.665 -3.339 142 HZ1 LYS 19 HZ1 LYS 19 -14.816 -4.181 -4.842 143 HZ2 LYS 19 HZ2 LYS 19 -16.475 -4.513 -4.952 144 HZ3 LYS 19 HZ3 LYS 19 -15.675 -4.684 -3.467 145 H GLU 20 H GLU 20 -16.355 0.159 -9.204 146 HA GLU 20 HA GLU 20 -16.357 -2.506 -10.110 147 HB2 GLU 20 HB2 GLU 20 -17.727 0.010 -10.925 148 HB3 GLU 20 HB3 GLU 20 -17.746 -1.332 -12.060 149 HG2 GLU 20 HG2 GLU 20 -18.420 -2.408 -9.559 150 HG3 GLU 20 HG3 GLU 20 -19.333 -0.909 -9.717 151 H ALA 21 H ALA 21 -15.308 0.485 -11.729 152 HA ALA 21 HA ALA 21 -14.333 -0.760 -14.055 153 HB1 ALA 21 HB1 ALA 21 -12.786 1.526 -13.687 154 HB2 ALA 21 HB2 ALA 21 -14.281 1.387 -14.611 155 HB3 ALA 21 HB3 ALA 21 -14.334 1.889 -12.922 156 H LEU 22 H LEU 22 -12.799 0.002 -10.973 157 HA LEU 22 HA LEU 22 -10.169 -0.702 -11.713 158 HB2 LEU 22 HB2 LEU 22 -11.636 -0.243 -9.181 159 HB3 LEU 22 HB3 LEU 22 -10.144 -1.159 -9.071 160 HG LEU 22 HG LEU 22 -10.337 1.560 -10.363 161 HD11 LEU 22 HD11 LEU 22 -9.031 2.160 -8.186 162 HD12 LEU 22 HD12 LEU 22 -10.794 2.108 -8.179 163 HD13 LEU 22 HD13 LEU 22 -9.870 0.754 -7.531 164 HD21 LEU 22 HD21 LEU 22 -7.783 1.263 -9.579 165 HD22 LEU 22 HD22 LEU 22 -8.195 -0.416 -9.924 166 HD23 LEU 22 HD23 LEU 22 -8.371 0.812 -11.179 167 H GLU 23 H GLU 23 -12.781 -2.572 -10.193 168 HA GLU 23 HA GLU 23 -11.179 -4.933 -9.973 169 HB2 GLU 23 HB2 GLU 23 -13.950 -4.163 -9.335 170 HB3 GLU 23 HB3 GLU 23 -13.719 -5.859 -9.745 171 HG2 GLU 23 HG2 GLU 23 -12.163 -6.168 -7.987 172 HG3 GLU 23 HG3 GLU 23 -12.051 -4.436 -7.691 173 H LYS 24 H LYS 24 -13.012 -3.512 -12.506 174 HA LYS 24 HA LYS 24 -13.313 -5.921 -14.033 175 HB2 LYS 24 HB2 LYS 24 -14.472 -4.655 -15.492 176 HB3 LYS 24 HB3 LYS 24 -14.421 -3.443 -14.224 177 HG2 LYS 24 HG2 LYS 24 -13.173 -2.069 -15.450 178 HG3 LYS 24 HG3 LYS 24 -12.072 -3.364 -15.931 179 HD2 LYS 24 HD2 LYS 24 -13.469 -4.007 -17.728 180 HD3 LYS 24 HD3 LYS 24 -14.811 -3.028 -17.129 181 HE2 LYS 24 HE2 LYS 24 -13.909 -1.804 -18.924 182 HE3 LYS 24 HE3 LYS 24 -13.300 -1.017 -17.469 183 HZ1 LYS 24 HZ1 LYS 24 -11.841 -2.125 -19.595 184 HZ2 LYS 24 HZ2 LYS 24 -11.476 -3.006 -18.194 185 HZ3 LYS 24 HZ3 LYS 24 -11.255 -1.323 -18.218 186 H VAL 25 H VAL 25 -10.667 -4.028 -13.226 187 HA VAL 25 HA VAL 25 -9.138 -4.506 -15.634 188 HB VAL 25 HB VAL 25 -8.230 -3.508 -12.923 189 HG11 VAL 25 HG11 VAL 25 -6.155 -2.989 -13.841 190 HG12 VAL 25 HG12 VAL 25 -6.507 -4.586 -14.500 191 HG13 VAL 25 HG13 VAL 25 -6.739 -3.150 -15.497 192 HG21 VAL 25 HG21 VAL 25 -8.265 -1.299 -13.878 193 HG22 VAL 25 HG22 VAL 25 -8.752 -1.945 -15.446 194 HG23 VAL 25 HG23 VAL 25 -9.858 -2.036 -14.074 195 HA PRO 26 HA PRO 26 -7.965 -8.633 -14.366 196 HB2 PRO 26 HB2 PRO 26 -5.956 -8.403 -16.509 197 HB3 PRO 26 HB3 PRO 26 -7.291 -9.548 -16.344 198 HG2 PRO 26 HG2 PRO 26 -7.332 -7.588 -18.181 199 HG3 PRO 26 HG3 PRO 26 -8.805 -8.137 -17.360 200 HD2 PRO 26 HD2 PRO 26 -7.139 -5.705 -16.833 201 HD3 PRO 26 HD3 PRO 26 -8.906 -5.874 -16.861 202 H GLY 27 H GLY 27 -6.599 -9.189 -12.817 203 HA2 GLY 27 HA3 GLY 27 -4.389 -9.333 -11.860 204 HA3 GLY 27 HA2 GLY 27 -4.010 -7.789 -12.620 205 H VAL 28 H VAL 28 -7.029 -8.378 -11.053 206 HA VAL 28 HA VAL 28 -6.287 -6.797 -8.702 207 HB VAL 28 HB VAL 28 -8.565 -6.128 -10.577 208 HG11 VAL 28 HG11 VAL 28 -7.991 -4.327 -8.323 209 HG12 VAL 28 HG12 VAL 28 -9.534 -4.843 -9.003 210 HG13 VAL 28 HG13 VAL 28 -8.670 -5.893 -7.880 211 HG21 VAL 28 HG21 VAL 28 -6.683 -4.011 -9.825 212 HG22 VAL 28 HG22 VAL 28 -5.971 -5.314 -10.779 213 HG23 VAL 28 HG23 VAL 28 -7.362 -4.426 -11.400 214 H GLN 29 H GLN 29 -7.066 -7.838 -6.955 215 HA GLN 29 HA GLN 29 -9.047 -9.932 -7.374 216 HB2 GLN 29 HB2 GLN 29 -7.608 -9.287 -4.800 217 HB3 GLN 29 HB3 GLN 29 -8.412 -10.788 -5.237 218 HG2 GLN 29 HG2 GLN 29 -5.863 -9.686 -6.393 219 HG3 GLN 29 HG3 GLN 29 -6.045 -11.108 -5.367 220 HE21 GLN 29 HE21 GLN 29 -5.743 -10.034 -8.491 221 HE22 GLN 29 HE22 GLN 29 -6.290 -11.443 -9.329 222 H SER 30 H SER 30 -8.612 -7.037 -5.324 223 HA SER 30 HA SER 30 -11.482 -6.655 -5.352 224 HB2 SER 30 HB2 SER 30 -11.114 -6.333 -2.663 225 HB3 SER 30 HB3 SER 30 -11.792 -7.777 -3.414 226 HG SER 30 HG SER 30 -9.976 -8.851 -3.069 227 H ALA 31 H ALA 31 -12.108 -4.553 -5.015 228 HA ALA 31 HA ALA 31 -9.951 -2.634 -4.389 229 HB1 ALA 31 HB1 ALA 31 -12.399 -1.965 -5.994 230 HB2 ALA 31 HB2 ALA 31 -10.874 -1.085 -5.888 231 HB3 ALA 31 HB3 ALA 31 -10.946 -2.626 -6.744 232 H LEU 32 H LEU 32 -10.371 -2.638 -2.156 233 HA LEU 32 HA LEU 32 -13.065 -2.039 -1.237 234 HB2 LEU 32 HB2 LEU 32 -10.506 -2.861 0.046 235 HB3 LEU 32 HB3 LEU 32 -11.686 -2.012 1.027 236 HG LEU 32 HG LEU 32 -13.249 -3.922 -0.121 237 HD11 LEU 32 HD11 LEU 32 -11.054 -4.860 -1.078 238 HD12 LEU 32 HD12 LEU 32 -10.736 -5.398 0.572 239 HD13 LEU 32 HD13 LEU 32 -12.167 -5.974 -0.284 240 HD21 LEU 32 HD21 LEU 32 -13.182 -3.301 2.240 241 HD22 LEU 32 HD22 LEU 32 -13.139 -5.052 2.036 242 HD23 LEU 32 HD23 LEU 32 -11.661 -4.173 2.431 243 H VAL 33 H VAL 33 -13.017 0.065 -2.376 244 HA VAL 33 HA VAL 33 -11.348 2.165 -1.410 245 HB VAL 33 HB VAL 33 -13.982 2.715 -2.672 246 HG11 VAL 33 HG11 VAL 33 -11.734 4.225 -2.014 247 HG12 VAL 33 HG12 VAL 33 -11.695 4.064 -3.770 248 HG13 VAL 33 HG13 VAL 33 -13.118 4.738 -2.980 249 HG21 VAL 33 HG21 VAL 33 -13.249 0.923 -4.045 250 HG22 VAL 33 HG22 VAL 33 -12.867 2.411 -4.910 251 HG23 VAL 33 HG23 VAL 33 -11.594 1.532 -4.061 252 H SER 34 H SER 34 -11.520 3.229 0.440 253 HA SER 34 HA SER 34 -14.026 2.964 1.953 254 HB2 SER 34 HB2 SER 34 -11.547 3.918 3.284 255 HB3 SER 34 HB3 SER 34 -12.787 2.804 3.866 256 HG SER 34 HG SER 34 -11.671 1.585 1.850 257 H TYR 35 H TYR 35 -15.296 4.661 1.742 258 HA TYR 35 HA TYR 35 -14.460 7.215 0.923 259 HB2 TYR 35 HB2 TYR 35 -16.644 7.457 0.544 260 HB3 TYR 35 HB3 TYR 35 -16.912 5.895 1.283 261 HD1 TYR 35 HD1 TYR 35 -16.688 9.527 2.095 262 HD2 TYR 35 HD2 TYR 35 -18.210 5.712 3.212 263 HE1 TYR 35 HE1 TYR 35 -18.060 10.588 3.840 264 HE2 TYR 35 HE2 TYR 35 -19.579 6.763 4.961 265 HH TYR 35 HH TYR 35 -19.154 9.375 6.312 266 HA PRO 36 HA PRO 36 -14.882 8.693 5.466 267 HB2 PRO 36 HB2 PRO 36 -14.725 6.945 7.497 268 HB3 PRO 36 HB3 PRO 36 -16.253 7.277 6.669 269 HG2 PRO 36 HG2 PRO 36 -14.368 4.979 6.325 270 HG3 PRO 36 HG3 PRO 36 -16.138 4.970 6.409 271 HD2 PRO 36 HD2 PRO 36 -14.731 4.847 4.068 272 HD3 PRO 36 HD3 PRO 36 -16.366 5.523 4.199 273 H LYS 37 H LYS 37 -12.597 7.141 3.947 274 HA LYS 37 HA LYS 37 -10.503 7.914 5.851 275 HB2 LYS 37 HB2 LYS 37 -10.547 5.397 4.181 276 HB3 LYS 37 HB3 LYS 37 -9.150 5.970 5.080 277 HG2 LYS 37 HG2 LYS 37 -10.810 5.901 7.102 278 HG3 LYS 37 HG3 LYS 37 -11.685 4.766 6.073 279 HD2 LYS 37 HD2 LYS 37 -9.227 3.757 5.815 280 HD3 LYS 37 HD3 LYS 37 -9.060 4.490 7.412 281 HE2 LYS 37 HE2 LYS 37 -11.466 2.828 6.841 282 HE3 LYS 37 HE3 LYS 37 -9.923 2.016 7.119 283 HZ1 LYS 37 HZ1 LYS 37 -9.772 2.922 9.270 284 HZ2 LYS 37 HZ2 LYS 37 -11.372 2.381 9.131 285 HZ3 LYS 37 HZ3 LYS 37 -11.021 4.038 8.996 286 H GLY 38 H GLY 38 -11.646 7.551 2.581 287 HA2 GLY 38 HA3 GLY 38 -11.119 8.872 0.749 288 HA3 GLY 38 HA2 GLY 38 -9.835 9.617 1.692 289 H THR 39 H THR 39 -10.007 6.173 1.547 290 HA THR 39 HA THR 39 -7.715 6.167 -0.294 291 HB THR 39 HB THR 39 -7.499 4.146 1.789 292 HG1 THR 39 HG1 THR 39 -7.747 6.879 2.495 293 HG21 THR 39 HG21 THR 39 -5.663 4.667 0.315 294 HG22 THR 39 HG22 THR 39 -5.213 5.131 1.956 295 HG23 THR 39 HG23 THR 39 -5.706 6.362 0.793 296 H ALA 40 H ALA 40 -7.442 4.336 -1.538 297 HA ALA 40 HA ALA 40 -9.757 2.522 -1.599 298 HB1 ALA 40 HB1 ALA 40 -7.855 3.407 -3.761 299 HB2 ALA 40 HB2 ALA 40 -8.981 2.064 -3.960 300 HB3 ALA 40 HB3 ALA 40 -9.592 3.692 -3.658 301 H GLN 41 H GLN 41 -9.271 0.762 -0.442 302 HA GLN 41 HA GLN 41 -6.593 -0.301 -0.302 303 HB2 GLN 41 HB2 GLN 41 -8.214 -0.373 1.601 304 HB3 GLN 41 HB3 GLN 41 -9.180 -1.518 0.683 305 HG2 GLN 41 HG2 GLN 41 -7.315 -3.092 0.687 306 HG3 GLN 41 HG3 GLN 41 -6.351 -1.940 1.611 307 HE21 GLN 41 HE21 GLN 41 -7.793 -4.704 2.003 308 HE22 GLN 41 HE22 GLN 41 -8.438 -4.543 3.605 309 H LEU 42 H LEU 42 -6.018 -0.939 -2.366 310 HA LEU 42 HA LEU 42 -7.836 -2.744 -3.768 311 HB2 LEU 42 HB2 LEU 42 -5.705 -0.862 -4.612 312 HB3 LEU 42 HB3 LEU 42 -5.961 -2.288 -5.601 313 HG LEU 42 HG LEU 42 -8.471 -0.981 -4.977 314 HD11 LEU 42 HD11 LEU 42 -7.175 0.743 -6.881 315 HD12 LEU 42 HD12 LEU 42 -8.081 1.154 -5.425 316 HD13 LEU 42 HD13 LEU 42 -6.357 0.802 -5.319 317 HD21 LEU 42 HD21 LEU 42 -8.802 -2.200 -6.817 318 HD22 LEU 42 HD22 LEU 42 -8.051 -0.866 -7.693 319 HD23 LEU 42 HD23 LEU 42 -7.080 -2.252 -7.197 320 H ALA 43 H ALA 43 -7.523 -4.795 -3.389 321 HA ALA 43 HA ALA 43 -4.884 -5.879 -2.883 322 HB1 ALA 43 HB1 ALA 43 -7.097 -7.743 -3.423 323 HB2 ALA 43 HB2 ALA 43 -5.943 -7.710 -2.090 324 HB3 ALA 43 HB3 ALA 43 -7.355 -6.652 -2.061 325 H ILE 44 H ILE 44 -4.113 -5.029 -4.921 326 HA ILE 44 HA ILE 44 -4.966 -6.433 -7.325 327 HB ILE 44 HB ILE 44 -3.262 -4.961 -8.453 328 HG12 ILE 44 HG12 ILE 44 -3.228 -3.498 -5.804 329 HG13 ILE 44 HG13 ILE 44 -1.928 -4.556 -6.347 330 HG21 ILE 44 HG21 ILE 44 -5.668 -4.449 -8.369 331 HG22 ILE 44 HG22 ILE 44 -5.405 -3.534 -6.884 332 HG23 ILE 44 HG23 ILE 44 -4.672 -2.993 -8.395 333 HD11 ILE 44 HD11 ILE 44 -1.569 -2.104 -6.720 334 HD12 ILE 44 HD12 ILE 44 -1.400 -3.121 -8.153 335 HD13 ILE 44 HD13 ILE 44 -2.866 -2.172 -7.913 336 H VAL 45 H VAL 45 -3.414 -7.469 -8.705 337 HA VAL 45 HA VAL 45 -1.786 -9.298 -7.230 338 HB VAL 45 HB VAL 45 -3.122 -9.384 -9.627 339 HG11 VAL 45 HG11 VAL 45 -0.267 -8.832 -10.206 340 HG12 VAL 45 HG12 VAL 45 -1.082 -10.068 -11.163 341 HG13 VAL 45 HG13 VAL 45 -1.715 -8.422 -11.126 342 HG21 VAL 45 HG21 VAL 45 -1.173 -11.466 -9.624 343 HG22 VAL 45 HG22 VAL 45 -1.677 -11.132 -7.966 344 HG23 VAL 45 HG23 VAL 45 -2.882 -11.533 -9.189 345 HA PRO 46 HA PRO 46 2.084 -7.129 -7.397 346 HB2 PRO 46 HB2 PRO 46 3.838 -9.199 -7.343 347 HB3 PRO 46 HB3 PRO 46 2.896 -8.697 -5.934 348 HG2 PRO 46 HG2 PRO 46 2.403 -10.945 -7.842 349 HG3 PRO 46 HG3 PRO 46 2.243 -10.921 -6.077 350 HD2 PRO 46 HD2 PRO 46 0.120 -10.705 -7.750 351 HD3 PRO 46 HD3 PRO 46 0.167 -9.935 -6.153 352 H GLY 47 H GLY 47 0.984 -7.145 -9.875 353 HA2 GLY 47 HA3 GLY 47 3.378 -7.297 -11.541 354 HA3 GLY 47 HA2 GLY 47 1.962 -8.189 -12.092 355 H THR 48 H THR 48 0.068 -6.289 -11.039 356 HA THR 48 HA THR 48 0.064 -4.337 -13.131 357 HB THR 48 HB THR 48 -1.813 -3.889 -10.936 358 HG1 THR 48 HG1 THR 48 -2.897 -5.876 -11.173 359 HG21 THR 48 HG21 THR 48 -2.862 -4.832 -13.491 360 HG22 THR 48 HG22 THR 48 -1.732 -3.488 -13.664 361 HG23 THR 48 HG23 THR 48 -3.156 -3.316 -12.637 362 H SER 49 H SER 49 1.129 -2.518 -13.087 363 HA SER 49 HA SER 49 2.384 -1.536 -10.764 364 HB2 SER 49 HB2 SER 49 2.223 0.474 -12.797 365 HB3 SER 49 HB3 SER 49 3.617 -0.501 -12.329 366 HG SER 49 HG SER 49 2.164 -0.653 -14.565 367 HA PRO 50 HA PRO 50 -1.012 0.634 -8.842 368 HB2 PRO 50 HB2 PRO 50 1.292 2.347 -7.997 369 HB3 PRO 50 HB3 PRO 50 -0.042 1.727 -7.020 370 HG2 PRO 50 HG2 PRO 50 2.321 0.560 -6.883 371 HG3 PRO 50 HG3 PRO 50 0.857 -0.442 -6.971 372 HD2 PRO 50 HD2 PRO 50 2.865 0.172 -9.099 373 HD3 PRO 50 HD3 PRO 50 1.983 -1.335 -8.780 374 H ASP 51 H ASP 51 1.529 2.410 -10.529 375 HA ASP 51 HA ASP 51 0.219 4.846 -10.870 376 HB2 ASP 51 HB2 ASP 51 2.575 4.572 -11.398 377 HB3 ASP 51 HB3 ASP 51 2.186 3.448 -12.696 378 H ALA 52 H ALA 52 -0.358 1.799 -12.419 379 HA ALA 52 HA ALA 52 -1.709 2.914 -14.715 380 HB1 ALA 52 HB1 ALA 52 -1.638 0.827 -15.511 381 HB2 ALA 52 HB2 ALA 52 -0.691 0.418 -14.080 382 HB3 ALA 52 HB3 ALA 52 -2.438 0.177 -14.080 383 H LEU 53 H LEU 53 -2.489 2.009 -11.493 384 HA LEU 53 HA LEU 53 -5.335 1.906 -11.855 385 HB2 LEU 53 HB2 LEU 53 -3.524 1.961 -9.465 386 HB3 LEU 53 HB3 LEU 53 -5.261 2.073 -9.289 387 HG LEU 53 HG LEU 53 -5.286 -0.139 -10.667 388 HD11 LEU 53 HD11 LEU 53 -2.746 0.132 -11.048 389 HD12 LEU 53 HD12 LEU 53 -2.601 -0.502 -9.409 390 HD13 LEU 53 HD13 LEU 53 -3.388 -1.465 -10.659 391 HD21 LEU 53 HD21 LEU 53 -6.114 -0.345 -8.546 392 HD22 LEU 53 HD22 LEU 53 -4.667 -1.348 -8.419 393 HD23 LEU 53 HD23 LEU 53 -4.654 0.303 -7.797 394 H THR 54 H THR 54 -2.977 4.161 -10.484 395 HA THR 54 HA THR 54 -4.645 6.290 -9.864 396 HB THR 54 HB THR 54 -1.999 6.869 -11.125 397 HG1 THR 54 HG1 THR 54 -0.874 5.934 -9.472 398 HG21 THR 54 HG21 THR 54 -2.382 8.769 -10.027 399 HG22 THR 54 HG22 THR 54 -2.190 7.876 -8.517 400 HG23 THR 54 HG23 THR 54 -3.792 8.075 -9.228 401 H ALA 55 H ALA 55 -2.993 5.511 -12.889 402 HA ALA 55 HA ALA 55 -3.968 7.706 -14.381 403 HB1 ALA 55 HB1 ALA 55 -3.006 5.025 -15.369 404 HB2 ALA 55 HB2 ALA 55 -3.180 6.489 -16.337 405 HB3 ALA 55 HB3 ALA 55 -1.991 6.429 -15.036 406 H ALA 56 H ALA 56 -5.173 4.428 -13.860 407 HA ALA 56 HA ALA 56 -7.260 4.507 -15.752 408 HB1 ALA 56 HB1 ALA 56 -8.180 2.913 -13.659 409 HB2 ALA 56 HB2 ALA 56 -7.308 2.380 -15.097 410 HB3 ALA 56 HB3 ALA 56 -6.424 2.753 -13.617 411 H VAL 57 H VAL 57 -7.160 5.393 -12.329 412 HA VAL 57 HA VAL 57 -9.901 6.127 -12.171 413 HB VAL 57 HB VAL 57 -7.593 6.993 -10.413 414 HG11 VAL 57 HG11 VAL 57 -10.221 6.868 -9.188 415 HG12 VAL 57 HG12 VAL 57 -9.016 8.155 -9.154 416 HG13 VAL 57 HG13 VAL 57 -10.148 8.041 -10.502 417 HG21 VAL 57 HG21 VAL 57 -8.971 5.220 -8.929 418 HG22 VAL 57 HG22 VAL 57 -9.225 4.539 -10.537 419 HG23 VAL 57 HG23 VAL 57 -7.586 4.787 -9.932 420 H ALA 58 H ALA 58 -6.891 7.883 -12.817 421 HA ALA 58 HA ALA 58 -8.036 10.472 -12.888 422 HB1 ALA 58 HB1 ALA 58 -5.567 9.828 -12.801 423 HB2 ALA 58 HB2 ALA 58 -5.677 9.640 -14.551 424 HB3 ALA 58 HB3 ALA 58 -6.009 11.205 -13.810 425 H GLY 59 H GLY 59 -7.580 7.994 -15.355 426 HA2 GLY 59 HA3 GLY 59 -8.694 9.614 -17.465 427 HA3 GLY 59 HA2 GLY 59 -8.269 7.911 -17.563 428 H LEU 60 H LEU 60 -9.966 7.653 -14.980 429 HA LEU 60 HA LEU 60 -12.428 6.958 -16.260 430 HB2 LEU 60 HB2 LEU 60 -11.163 6.425 -13.806 431 HB3 LEU 60 HB3 LEU 60 -12.682 7.206 -13.422 432 HG LEU 60 HG LEU 60 -13.896 5.502 -14.709 433 HD11 LEU 60 HD11 LEU 60 -11.180 4.235 -15.055 434 HD12 LEU 60 HD12 LEU 60 -12.724 3.508 -15.501 435 HD13 LEU 60 HD13 LEU 60 -12.157 4.956 -16.335 436 HD21 LEU 60 HD21 LEU 60 -12.132 4.825 -12.419 437 HD22 LEU 60 HD22 LEU 60 -13.891 4.894 -12.511 438 HD23 LEU 60 HD23 LEU 60 -13.026 3.518 -13.197 439 H GLY 61 H GLY 61 -11.189 9.884 -15.269 440 HA2 GLY 61 HA3 GLY 61 -12.385 11.923 -15.629 441 HA3 GLY 61 HA2 GLY 61 -13.878 11.074 -15.253 442 H TYR 62 H TYR 62 -11.928 9.911 -13.033 443 HA TYR 62 HA TYR 62 -12.672 11.937 -11.051 444 HB2 TYR 62 HB2 TYR 62 -11.673 9.117 -10.571 445 HB3 TYR 62 HB3 TYR 62 -12.372 10.205 -9.380 446 HD1 TYR 62 HD2 TYR 62 -14.784 10.630 -9.350 447 HD2 TYR 62 HD1 TYR 62 -13.068 7.889 -12.111 448 HE1 TYR 62 HE2 TYR 62 -17.013 9.695 -9.798 449 HE2 TYR 62 HE1 TYR 62 -15.290 6.948 -12.570 450 HH TYR 62 HH TYR 62 -18.103 7.872 -10.696 451 H LYS 63 H LYS 63 -10.753 11.189 -9.092 452 HA LYS 63 HA LYS 63 -8.158 11.638 -10.334 453 HB2 LYS 63 HB2 LYS 63 -9.467 13.855 -9.640 454 HB3 LYS 63 HB3 LYS 63 -8.810 13.446 -8.060 455 HG2 LYS 63 HG2 LYS 63 -7.138 14.764 -8.839 456 HG3 LYS 63 HG3 LYS 63 -6.576 13.201 -9.440 457 HD2 LYS 63 HD2 LYS 63 -8.282 14.134 -11.421 458 HD3 LYS 63 HD3 LYS 63 -7.400 15.568 -10.895 459 HE2 LYS 63 HE2 LYS 63 -5.291 14.475 -11.307 460 HE3 LYS 63 HE3 LYS 63 -6.111 12.964 -11.691 461 HZ1 LYS 63 HZ1 LYS 63 -7.208 14.160 -13.552 462 HZ2 LYS 63 HZ2 LYS 63 -5.523 14.016 -13.722 463 HZ3 LYS 63 HZ3 LYS 63 -6.203 15.492 -13.237 464 H ALA 64 H ALA 64 -6.571 10.623 -9.275 465 HA ALA 64 HA ALA 64 -6.855 10.020 -6.441 466 HB1 ALA 64 HB1 ALA 64 -7.824 8.095 -7.754 467 HB2 ALA 64 HB2 ALA 64 -6.205 7.822 -8.397 468 HB3 ALA 64 HB3 ALA 64 -6.501 7.681 -6.664 469 H THR 65 H THR 65 -4.829 9.181 -5.522 470 HA THR 65 HA THR 65 -2.438 9.624 -7.153 471 HB THR 65 HB THR 65 -1.745 10.643 -4.645 472 HG1 THR 65 HG1 THR 65 -3.952 12.183 -5.479 473 HG21 THR 65 HG21 THR 65 -2.345 12.763 -6.482 474 HG22 THR 65 HG22 THR 65 -1.650 11.398 -7.357 475 HG23 THR 65 HG23 THR 65 -0.776 12.117 -6.005 476 H LEU 66 H LEU 66 -0.743 8.287 -6.602 477 HA LEU 66 HA LEU 66 -1.275 5.980 -5.065 478 HB2 LEU 66 HB2 LEU 66 0.758 6.878 -6.810 479 HB3 LEU 66 HB3 LEU 66 1.543 6.451 -5.306 480 HG LEU 66 HG LEU 66 -0.179 4.645 -6.992 481 HD11 LEU 66 HD11 LEU 66 2.580 5.326 -7.061 482 HD12 LEU 66 HD12 LEU 66 2.430 3.658 -6.508 483 HD13 LEU 66 HD13 LEU 66 1.710 4.148 -8.043 484 HD21 LEU 66 HD21 LEU 66 0.418 2.892 -5.400 485 HD22 LEU 66 HD22 LEU 66 1.272 4.071 -4.406 486 HD23 LEU 66 HD23 LEU 66 -0.478 4.184 -4.600 487 H ALA 67 H ALA 67 -1.438 5.898 -2.944 488 HA ALA 67 HA ALA 67 0.528 7.259 -1.279 489 HB1 ALA 67 HB1 ALA 67 -1.188 8.182 0.204 490 HB2 ALA 67 HB2 ALA 67 -1.324 8.847 -1.424 491 HB3 ALA 67 HB3 ALA 67 -2.445 7.597 -0.886 492 H ASP 68 H ASP 68 1.129 4.954 -1.272 493 HA ASP 68 HA ASP 68 -0.687 3.124 0.039 494 HB2 ASP 68 HB2 ASP 68 0.661 1.420 -0.708 495 HB3 ASP 68 HB3 ASP 68 1.016 2.653 -1.909 496 H ALA 69 H ALA 69 0.801 5.500 1.349 497 HA ALA 69 HA ALA 69 2.076 4.132 3.575 498 HB1 ALA 69 HB1 ALA 69 1.513 7.042 3.686 499 HB2 ALA 69 HB2 ALA 69 2.955 6.147 4.167 500 HB3 ALA 69 HB3 ALA 69 2.653 6.483 2.463 Start of MODEL 16 1 H1 MET 1 H1 MET 1 2.184 -1.572 1.870 2 H2 MET 1 H2 MET 1 2.575 -1.319 0.239 3 H3 MET 1 H3 MET 1 2.760 -2.857 0.922 4 HA MET 1 HA MET 1 0.799 -3.276 -0.007 5 HB2 MET 1 HB2 MET 1 0.517 -2.542 2.638 6 HB3 MET 1 HB3 MET 1 -0.734 -1.595 1.843 7 HG2 MET 1 HG2 MET 1 -0.647 -4.377 0.974 8 HG3 MET 1 HG3 MET 1 -0.979 -4.181 2.694 9 HE1 MET 1 HE1 MET 1 -4.043 -4.252 -0.385 10 HE2 MET 1 HE2 MET 1 -2.316 -4.389 -0.718 11 HE3 MET 1 HE3 MET 1 -3.077 -5.466 0.453 12 H THR 2 H THR 2 -0.730 -2.640 -1.487 13 HA THR 2 HA THR 2 -0.269 -0.160 -2.772 14 HB THR 2 HB THR 2 -2.731 -1.561 -3.521 15 HG1 THR 2 HG1 THR 2 -0.667 -3.141 -4.283 16 HG21 THR 2 HG21 THR 2 -1.333 -1.702 -5.694 17 HG22 THR 2 HG22 THR 2 -0.194 -0.651 -4.851 18 HG23 THR 2 HG23 THR 2 -1.851 -0.112 -5.131 19 H HIS 3 H HIS 3 -0.761 1.442 -1.258 20 HA HIS 3 HA HIS 3 -3.582 1.742 -0.491 21 HB2 HIS 3 HB2 HIS 3 -1.619 1.756 1.194 22 HB3 HIS 3 HB3 HIS 3 -1.272 3.361 0.567 23 HD1 HIS 3 HD1 HIS 3 -4.617 1.810 1.553 24 HD2 HIS 3 HD2 HIS 3 -2.160 5.024 2.496 25 HE1 HIS 3 HE1 HIS 3 -5.886 3.149 3.252 26 HE2 HIS 3 HE2 HIS 3 -4.267 4.929 3.994 27 H LEU 4 H LEU 4 -4.449 2.661 -2.363 28 HA LEU 4 HA LEU 4 -3.171 5.096 -3.371 29 HB2 LEU 4 HB2 LEU 4 -5.282 3.295 -4.499 30 HB3 LEU 4 HB3 LEU 4 -4.964 4.873 -5.189 31 HG LEU 4 HG LEU 4 -2.471 3.895 -5.217 32 HD11 LEU 4 HD11 LEU 4 -3.995 1.443 -5.950 33 HD12 LEU 4 HD12 LEU 4 -2.301 1.626 -5.498 34 HD13 LEU 4 HD13 LEU 4 -3.557 1.715 -4.263 35 HD21 LEU 4 HD21 LEU 4 -2.793 4.269 -7.375 36 HD22 LEU 4 HD22 LEU 4 -3.824 2.842 -7.509 37 HD23 LEU 4 HD23 LEU 4 -4.523 4.399 -7.061 38 H LYS 5 H LYS 5 -4.021 7.069 -3.058 39 HA LYS 5 HA LYS 5 -6.477 7.245 -1.481 40 HB2 LYS 5 HB2 LYS 5 -4.890 8.593 -0.462 41 HB3 LYS 5 HB3 LYS 5 -4.132 9.028 -1.985 42 HG2 LYS 5 HG2 LYS 5 -6.352 10.324 -2.404 43 HG3 LYS 5 HG3 LYS 5 -6.518 10.216 -0.649 44 HD2 LYS 5 HD2 LYS 5 -4.283 11.234 -0.403 45 HD3 LYS 5 HD3 LYS 5 -4.185 11.399 -2.158 46 HE2 LYS 5 HE2 LYS 5 -5.090 13.419 -1.859 47 HE3 LYS 5 HE3 LYS 5 -6.602 12.564 -1.564 48 HZ1 LYS 5 HZ1 LYS 5 -6.233 12.647 0.765 49 HZ2 LYS 5 HZ2 LYS 5 -5.982 14.215 0.170 50 HZ3 LYS 5 HZ3 LYS 5 -4.654 13.240 0.572 51 H ILE 6 H ILE 6 -8.362 7.816 -2.408 52 HA ILE 6 HA ILE 6 -8.213 8.619 -5.217 53 HB ILE 6 HB ILE 6 -9.440 6.506 -4.545 54 HG12 ILE 6 HG12 ILE 6 -9.719 8.105 -6.658 55 HG13 ILE 6 HG13 ILE 6 -10.654 6.630 -6.454 56 HG21 ILE 6 HG21 ILE 6 -10.916 8.326 -2.926 57 HG22 ILE 6 HG22 ILE 6 -11.995 7.543 -4.082 58 HG23 ILE 6 HG23 ILE 6 -11.000 6.565 -3.005 59 HD11 ILE 6 HD11 ILE 6 -11.901 8.692 -7.199 60 HD12 ILE 6 HD12 ILE 6 -12.575 7.818 -5.823 61 HD13 ILE 6 HD13 ILE 6 -11.667 9.306 -5.564 62 H THR 7 H THR 7 -8.617 10.616 -5.762 63 HA THR 7 HA THR 7 -9.481 12.441 -3.645 64 HB THR 7 HB THR 7 -8.595 13.852 -5.948 65 HG1 THR 7 HG1 THR 7 -6.982 11.613 -5.216 66 HG21 THR 7 HG21 THR 7 -7.809 13.440 -3.139 67 HG22 THR 7 HG22 THR 7 -7.979 14.936 -4.060 68 HG23 THR 7 HG23 THR 7 -6.513 13.966 -4.212 69 H GLY 8 H GLY 8 -10.563 11.137 -6.632 70 HA2 GLY 8 HA3 GLY 8 -12.315 13.336 -7.291 71 HA3 GLY 8 HA2 GLY 8 -12.245 11.780 -8.104 72 H MET 9 H MET 9 -12.477 10.938 -5.005 73 HA MET 9 HA MET 9 -15.334 10.481 -5.223 74 HB2 MET 9 HB2 MET 9 -15.106 8.823 -3.628 75 HB3 MET 9 HB3 MET 9 -13.529 8.779 -4.405 76 HG2 MET 9 HG2 MET 9 -12.795 8.802 -2.285 77 HG3 MET 9 HG3 MET 9 -13.023 10.542 -2.442 78 HE1 MET 9 HE1 MET 9 -14.211 11.825 -0.554 79 HE2 MET 9 HE2 MET 9 -14.583 10.888 0.894 80 HE3 MET 9 HE3 MET 9 -13.007 10.729 0.121 81 H THR 10 H THR 10 -16.879 11.238 -3.790 82 HA THR 10 HA THR 10 -15.952 13.098 -1.713 83 HB THR 10 HB THR 10 -18.555 13.826 -2.242 84 HG1 THR 10 HG1 THR 10 -17.575 13.980 -4.802 85 HG21 THR 10 HG21 THR 10 -16.237 15.114 -3.653 86 HG22 THR 10 HG22 THR 10 -16.392 15.189 -1.897 87 HG23 THR 10 HG23 THR 10 -17.649 15.879 -2.924 88 H CYS 11 H CYS 11 -17.804 10.355 -2.572 89 HA CYS 11 HA CYS 11 -18.551 9.535 -0.035 90 HB2 CYS 11 HB2 CYS 11 -21.110 10.039 -0.402 91 HB3 CYS 11 HB3 CYS 11 -20.071 11.237 0.357 92 H ASP 12 H ASP 12 -19.786 7.670 -0.039 93 HA ASP 12 HA ASP 12 -20.135 5.583 -0.987 94 HB2 ASP 12 HB2 ASP 12 -22.506 5.451 -1.502 95 HB3 ASP 12 HB3 ASP 12 -22.195 6.480 -0.117 96 H SER 13 H SER 13 -21.879 7.226 -3.604 97 HA SER 13 HA SER 13 -21.468 5.116 -5.352 98 HB2 SER 13 HB2 SER 13 -21.852 7.560 -6.820 99 HB3 SER 13 HB3 SER 13 -22.992 6.246 -6.528 100 HG SER 13 HG SER 13 -23.838 7.307 -4.890 101 H CYS 14 H CYS 14 -19.637 8.133 -5.073 102 HA CYS 14 HA CYS 14 -18.112 7.755 -7.423 103 HB2 CYS 14 HB2 CYS 14 -17.021 9.247 -5.063 104 HB3 CYS 14 HB3 CYS 14 -16.911 9.638 -6.776 105 H ALA 15 H ALA 15 -17.383 7.122 -4.003 106 HA ALA 15 HA ALA 15 -14.947 5.720 -4.614 107 HB1 ALA 15 HB1 ALA 15 -14.836 6.768 -2.557 108 HB2 ALA 15 HB2 ALA 15 -16.478 6.297 -2.114 109 HB3 ALA 15 HB3 ALA 15 -15.184 5.098 -2.110 110 H ALA 16 H ALA 16 -16.882 4.562 -6.099 111 HA ALA 16 HA ALA 16 -16.882 1.839 -5.188 112 HB1 ALA 16 HB1 ALA 16 -19.225 3.489 -4.716 113 HB2 ALA 16 HB2 ALA 16 -19.591 2.102 -5.742 114 HB3 ALA 16 HB3 ALA 16 -18.864 1.858 -4.154 115 H HIS 17 H HIS 17 -18.353 4.183 -7.455 116 HA HIS 17 HA HIS 17 -18.348 2.425 -9.669 117 HB2 HIS 17 HB2 HIS 17 -19.385 4.829 -9.390 118 HB3 HIS 17 HB3 HIS 17 -17.830 5.339 -10.039 119 HD1 HIS 17 HD1 HIS 17 -21.086 3.965 -11.026 120 HD2 HIS 17 HD2 HIS 17 -17.289 4.323 -12.693 121 HE1 HIS 17 HE1 HIS 17 -21.381 3.549 -13.492 122 HE2 HIS 17 HE2 HIS 17 -19.107 3.967 -14.499 123 H VAL 18 H VAL 18 -15.945 4.443 -8.182 124 HA VAL 18 HA VAL 18 -13.854 4.142 -10.035 125 HB VAL 18 HB VAL 18 -13.917 4.604 -7.055 126 HG11 VAL 18 HG11 VAL 18 -11.681 3.598 -8.582 127 HG12 VAL 18 HG12 VAL 18 -11.327 5.178 -7.882 128 HG13 VAL 18 HG13 VAL 18 -11.838 3.848 -6.843 129 HG21 VAL 18 HG21 VAL 18 -12.699 6.400 -9.107 130 HG22 VAL 18 HG22 VAL 18 -14.450 6.356 -8.895 131 HG23 VAL 18 HG23 VAL 18 -13.408 6.802 -7.542 132 H LYS 19 H LYS 19 -14.889 2.199 -7.275 133 HA LYS 19 HA LYS 19 -12.937 0.187 -7.428 134 HB2 LYS 19 HB2 LYS 19 -14.143 0.086 -5.454 135 HB3 LYS 19 HB3 LYS 19 -15.668 0.438 -6.243 136 HG2 LYS 19 HG2 LYS 19 -16.188 -1.705 -6.251 137 HG3 LYS 19 HG3 LYS 19 -14.731 -2.085 -7.168 138 HD2 LYS 19 HD2 LYS 19 -13.707 -2.924 -5.371 139 HD3 LYS 19 HD3 LYS 19 -14.174 -1.549 -4.369 140 HE2 LYS 19 HE2 LYS 19 -15.241 -3.340 -3.342 141 HE3 LYS 19 HE3 LYS 19 -16.508 -2.634 -4.343 142 HZ1 LYS 19 HZ1 LYS 19 -15.021 -4.618 -5.765 143 HZ2 LYS 19 HZ2 LYS 19 -16.694 -4.509 -5.493 144 HZ3 LYS 19 HZ3 LYS 19 -15.694 -5.253 -4.343 145 H GLU 20 H GLU 20 -16.091 0.554 -8.986 146 HA GLU 20 HA GLU 20 -16.192 -1.951 -10.257 147 HB2 GLU 20 HB2 GLU 20 -18.012 -0.132 -10.033 148 HB3 GLU 20 HB3 GLU 20 -17.295 0.571 -11.475 149 HG2 GLU 20 HG2 GLU 20 -17.598 -1.804 -12.470 150 HG3 GLU 20 HG3 GLU 20 -18.752 -2.011 -11.153 151 H ALA 21 H ALA 21 -15.109 1.200 -11.503 152 HA ALA 21 HA ALA 21 -14.195 0.285 -13.992 153 HB1 ALA 21 HB1 ALA 21 -12.713 2.530 -12.814 154 HB2 ALA 21 HB2 ALA 21 -13.593 2.424 -14.338 155 HB3 ALA 21 HB3 ALA 21 -14.467 2.717 -12.832 156 H LEU 22 H LEU 22 -12.600 0.557 -10.867 157 HA LEU 22 HA LEU 22 -10.001 -0.114 -11.722 158 HB2 LEU 22 HB2 LEU 22 -11.446 -0.103 -9.112 159 HB3 LEU 22 HB3 LEU 22 -9.901 -0.922 -9.205 160 HG LEU 22 HG LEU 22 -10.435 1.994 -9.761 161 HD11 LEU 22 HD11 LEU 22 -8.618 2.080 -7.888 162 HD12 LEU 22 HD12 LEU 22 -10.316 1.837 -7.475 163 HD13 LEU 22 HD13 LEU 22 -9.213 0.461 -7.518 164 HD21 LEU 22 HD21 LEU 22 -7.883 0.410 -10.026 165 HD22 LEU 22 HD22 LEU 22 -8.775 1.202 -11.326 166 HD23 LEU 22 HD23 LEU 22 -7.993 2.169 -10.075 167 H GLU 23 H GLU 23 -12.699 -2.086 -10.550 168 HA GLU 23 HA GLU 23 -11.232 -4.537 -10.665 169 HB2 GLU 23 HB2 GLU 23 -14.100 -3.799 -10.252 170 HB3 GLU 23 HB3 GLU 23 -13.671 -5.474 -10.575 171 HG2 GLU 23 HG2 GLU 23 -12.201 -5.495 -8.649 172 HG3 GLU 23 HG3 GLU 23 -12.555 -3.796 -8.343 173 H LYS 24 H LYS 24 -12.885 -2.614 -12.981 174 HA LYS 24 HA LYS 24 -13.256 -4.680 -14.916 175 HB2 LYS 24 HB2 LYS 24 -14.375 -3.057 -15.960 176 HB3 LYS 24 HB3 LYS 24 -13.868 -1.928 -14.715 177 HG2 LYS 24 HG2 LYS 24 -11.765 -1.582 -16.099 178 HG3 LYS 24 HG3 LYS 24 -12.606 -2.448 -17.388 179 HD2 LYS 24 HD2 LYS 24 -14.466 -0.798 -17.184 180 HD3 LYS 24 HD3 LYS 24 -13.472 0.109 -16.042 181 HE2 LYS 24 HE2 LYS 24 -12.123 0.919 -17.662 182 HE3 LYS 24 HE3 LYS 24 -12.170 -0.580 -18.588 183 HZ1 LYS 24 HZ1 LYS 24 -14.565 1.125 -18.473 184 HZ2 LYS 24 HZ2 LYS 24 -14.069 0.048 -19.686 185 HZ3 LYS 24 HZ3 LYS 24 -13.291 1.545 -19.510 186 H VAL 25 H VAL 25 -10.574 -2.883 -13.782 187 HA VAL 25 HA VAL 25 -8.848 -3.570 -16.009 188 HB VAL 25 HB VAL 25 -8.049 -2.521 -13.283 189 HG11 VAL 25 HG11 VAL 25 -6.088 -3.246 -14.265 190 HG12 VAL 25 HG12 VAL 25 -6.633 -2.851 -15.895 191 HG13 VAL 25 HG13 VAL 25 -6.153 -1.563 -14.790 192 HG21 VAL 25 HG21 VAL 25 -9.462 -0.840 -14.022 193 HG22 VAL 25 HG22 VAL 25 -7.891 -0.309 -14.627 194 HG23 VAL 25 HG23 VAL 25 -9.039 -1.089 -15.716 195 HA PRO 26 HA PRO 26 -8.226 -7.674 -14.449 196 HB2 PRO 26 HB2 PRO 26 -5.837 -7.751 -16.165 197 HB3 PRO 26 HB3 PRO 26 -7.310 -8.719 -16.248 198 HG2 PRO 26 HG2 PRO 26 -6.748 -6.822 -18.071 199 HG3 PRO 26 HG3 PRO 26 -8.410 -7.175 -17.561 200 HD2 PRO 26 HD2 PRO 26 -6.606 -4.933 -16.732 201 HD3 PRO 26 HD3 PRO 26 -8.344 -4.904 -17.100 202 H GLY 27 H GLY 27 -6.945 -8.796 -13.047 203 HA2 GLY 27 HA3 GLY 27 -4.817 -9.235 -12.000 204 HA3 GLY 27 HA2 GLY 27 -4.412 -7.537 -12.207 205 H VAL 28 H VAL 28 -7.459 -7.298 -11.339 206 HA VAL 28 HA VAL 28 -6.808 -6.623 -8.627 207 HB VAL 28 HB VAL 28 -9.383 -6.506 -10.185 208 HG11 VAL 28 HG11 VAL 28 -10.018 -6.874 -7.899 209 HG12 VAL 28 HG12 VAL 28 -8.858 -5.672 -7.334 210 HG13 VAL 28 HG13 VAL 28 -10.266 -5.169 -8.271 211 HG21 VAL 28 HG21 VAL 28 -7.439 -4.415 -9.229 212 HG22 VAL 28 HG22 VAL 28 -7.796 -4.868 -10.896 213 HG23 VAL 28 HG23 VAL 28 -9.019 -4.051 -9.922 214 H GLN 29 H GLN 29 -6.786 -8.030 -7.007 215 HA GLN 29 HA GLN 29 -8.426 -10.451 -7.195 216 HB2 GLN 29 HB2 GLN 29 -6.232 -9.755 -5.234 217 HB3 GLN 29 HB3 GLN 29 -7.063 -11.301 -5.342 218 HG2 GLN 29 HG2 GLN 29 -6.053 -11.834 -7.379 219 HG3 GLN 29 HG3 GLN 29 -5.555 -10.167 -7.668 220 HE21 GLN 29 HE21 GLN 29 -4.265 -9.388 -5.525 221 HE22 GLN 29 HE22 GLN 29 -2.919 -10.409 -5.163 222 H SER 30 H SER 30 -7.859 -7.620 -5.203 223 HA SER 30 HA SER 30 -10.535 -7.822 -4.139 224 HB2 SER 30 HB2 SER 30 -8.887 -7.230 -1.878 225 HB3 SER 30 HB3 SER 30 -10.000 -8.580 -2.094 226 HG SER 30 HG SER 30 -8.378 -9.867 -2.576 227 H ALA 31 H ALA 31 -11.327 -5.840 -3.373 228 HA ALA 31 HA ALA 31 -9.551 -3.517 -3.571 229 HB1 ALA 31 HB1 ALA 31 -10.470 -2.631 -5.406 230 HB2 ALA 31 HB2 ALA 31 -11.131 -4.239 -5.706 231 HB3 ALA 31 HB3 ALA 31 -12.106 -3.025 -4.879 232 H LEU 32 H LEU 32 -9.753 -2.954 -1.480 233 HA LEU 32 HA LEU 32 -12.438 -2.772 -0.323 234 HB2 LEU 32 HB2 LEU 32 -9.958 -2.300 1.268 235 HB3 LEU 32 HB3 LEU 32 -11.489 -2.990 1.770 236 HG LEU 32 HG LEU 32 -9.760 -4.505 -0.143 237 HD11 LEU 32 HD11 LEU 32 -9.223 -5.473 2.432 238 HD12 LEU 32 HD12 LEU 32 -8.103 -4.694 1.315 239 HD13 LEU 32 HD13 LEU 32 -8.978 -3.728 2.503 240 HD21 LEU 32 HD21 LEU 32 -11.251 -6.112 0.213 241 HD22 LEU 32 HD22 LEU 32 -11.058 -5.980 1.961 242 HD23 LEU 32 HD23 LEU 32 -12.212 -4.945 1.120 243 H VAL 33 H VAL 33 -13.046 -0.889 -1.413 244 HA VAL 33 HA VAL 33 -11.496 1.532 -1.089 245 HB VAL 33 HB VAL 33 -13.564 2.582 -2.194 246 HG11 VAL 33 HG11 VAL 33 -11.500 0.839 -3.326 247 HG12 VAL 33 HG12 VAL 33 -12.869 1.152 -4.391 248 HG13 VAL 33 HG13 VAL 33 -11.939 2.498 -3.734 249 HG21 VAL 33 HG21 VAL 33 -15.198 1.252 -3.150 250 HG22 VAL 33 HG22 VAL 33 -14.200 -0.201 -3.087 251 HG23 VAL 33 HG23 VAL 33 -14.924 0.437 -1.610 252 H SER 34 H SER 34 -11.855 3.147 0.333 253 HA SER 34 HA SER 34 -14.118 2.818 2.189 254 HB2 SER 34 HB2 SER 34 -11.700 4.403 2.935 255 HB3 SER 34 HB3 SER 34 -12.776 3.450 3.959 256 HG SER 34 HG SER 34 -11.624 1.818 2.209 257 H TYR 35 H TYR 35 -15.667 4.165 1.523 258 HA TYR 35 HA TYR 35 -15.227 6.542 0.080 259 HB2 TYR 35 HB2 TYR 35 -17.786 6.586 1.421 260 HB3 TYR 35 HB3 TYR 35 -17.425 6.458 -0.293 261 HD1 TYR 35 HD1 TYR 35 -16.786 4.102 -1.172 262 HD2 TYR 35 HD2 TYR 35 -18.746 4.787 2.543 263 HE1 TYR 35 HE1 TYR 35 -17.598 1.782 -1.180 264 HE2 TYR 35 HE2 TYR 35 -19.552 2.464 2.550 265 HH TYR 35 HH TYR 35 -18.329 0.082 0.755 266 HA PRO 36 HA PRO 36 -16.155 8.974 4.122 267 HB2 PRO 36 HB2 PRO 36 -15.712 7.158 6.365 268 HB3 PRO 36 HB3 PRO 36 -17.121 8.153 5.998 269 HG2 PRO 36 HG2 PRO 36 -17.165 5.458 5.823 270 HG3 PRO 36 HG3 PRO 36 -18.133 6.501 4.762 271 HD2 PRO 36 HD2 PRO 36 -15.527 5.126 4.202 272 HD3 PRO 36 HD3 PRO 36 -16.968 5.269 3.170 273 H LYS 37 H LYS 37 -13.593 7.418 3.106 274 HA LYS 37 HA LYS 37 -11.756 8.812 4.919 275 HB2 LYS 37 HB2 LYS 37 -11.450 5.995 3.884 276 HB3 LYS 37 HB3 LYS 37 -10.155 6.899 4.653 277 HG2 LYS 37 HG2 LYS 37 -11.926 7.152 6.582 278 HG3 LYS 37 HG3 LYS 37 -12.602 5.702 5.839 279 HD2 LYS 37 HD2 LYS 37 -10.556 4.506 6.148 280 HD3 LYS 37 HD3 LYS 37 -9.715 5.972 6.657 281 HE2 LYS 37 HE2 LYS 37 -10.410 5.747 8.767 282 HE3 LYS 37 HE3 LYS 37 -12.073 5.457 8.263 283 HZ1 LYS 37 HZ1 LYS 37 -10.007 3.351 8.063 284 HZ2 LYS 37 HZ2 LYS 37 -11.694 3.177 8.073 285 HZ3 LYS 37 HZ3 LYS 37 -10.877 3.607 9.498 286 H GLY 38 H GLY 38 -12.610 7.745 1.740 287 HA2 GLY 38 HA3 GLY 38 -11.956 8.552 -0.312 288 HA3 GLY 38 HA2 GLY 38 -10.972 9.743 0.528 289 H THR 39 H THR 39 -10.748 6.245 0.879 290 HA THR 39 HA THR 39 -8.210 6.288 -0.580 291 HB THR 39 HB THR 39 -7.883 4.601 1.706 292 HG1 THR 39 HG1 THR 39 -8.957 7.161 2.193 293 HG21 THR 39 HG21 THR 39 -6.399 6.381 0.145 294 HG22 THR 39 HG22 THR 39 -5.806 5.397 1.484 295 HG23 THR 39 HG23 THR 39 -6.349 7.050 1.777 296 H ALA 40 H ALA 40 -7.500 4.219 -1.303 297 HA ALA 40 HA ALA 40 -9.585 2.140 -1.208 298 HB1 ALA 40 HB1 ALA 40 -8.351 1.681 -3.588 299 HB2 ALA 40 HB2 ALA 40 -9.851 2.585 -3.389 300 HB3 ALA 40 HB3 ALA 40 -8.315 3.443 -3.505 301 H GLN 41 H GLN 41 -8.878 0.400 -0.225 302 HA GLN 41 HA GLN 41 -6.030 -0.231 -0.172 303 HB2 GLN 41 HB2 GLN 41 -8.428 -1.393 1.252 304 HB3 GLN 41 HB3 GLN 41 -6.839 -2.139 1.326 305 HG2 GLN 41 HG2 GLN 41 -7.049 -0.850 3.279 306 HG3 GLN 41 HG3 GLN 41 -5.977 0.058 2.214 307 HE21 GLN 41 HE21 GLN 41 -9.394 -0.237 3.111 308 HE22 GLN 41 HE22 GLN 41 -9.752 1.455 2.964 309 H LEU 42 H LEU 42 -5.565 -0.935 -2.213 310 HA LEU 42 HA LEU 42 -7.337 -2.929 -3.418 311 HB2 LEU 42 HB2 LEU 42 -5.212 -1.142 -4.578 312 HB3 LEU 42 HB3 LEU 42 -5.993 -2.418 -5.492 313 HG LEU 42 HG LEU 42 -7.839 -0.543 -4.176 314 HD11 LEU 42 HD11 LEU 42 -6.913 0.639 -6.638 315 HD12 LEU 42 HD12 LEU 42 -7.143 1.374 -5.051 316 HD13 LEU 42 HD13 LEU 42 -5.623 0.567 -5.437 317 HD21 LEU 42 HD21 LEU 42 -8.051 -2.478 -6.052 318 HD22 LEU 42 HD22 LEU 42 -9.196 -1.150 -5.865 319 HD23 LEU 42 HD23 LEU 42 -7.915 -1.046 -7.073 320 H ALA 43 H ALA 43 -6.756 -4.961 -3.704 321 HA ALA 43 HA ALA 43 -3.948 -5.697 -3.207 322 HB1 ALA 43 HB1 ALA 43 -4.628 -7.714 -2.322 323 HB2 ALA 43 HB2 ALA 43 -5.926 -6.646 -1.788 324 HB3 ALA 43 HB3 ALA 43 -6.167 -7.697 -3.183 325 H ILE 44 H ILE 44 -3.420 -5.113 -5.348 326 HA ILE 44 HA ILE 44 -4.618 -6.635 -7.517 327 HB ILE 44 HB ILE 44 -2.725 -5.283 -8.807 328 HG12 ILE 44 HG12 ILE 44 -3.163 -2.967 -7.236 329 HG13 ILE 44 HG13 ILE 44 -2.599 -4.222 -6.138 330 HG21 ILE 44 HG21 ILE 44 -5.281 -4.027 -7.818 331 HG22 ILE 44 HG22 ILE 44 -4.370 -3.554 -9.251 332 HG23 ILE 44 HG23 ILE 44 -5.138 -5.139 -9.179 333 HD11 ILE 44 HD11 ILE 44 -0.809 -2.793 -7.115 334 HD12 ILE 44 HD12 ILE 44 -0.602 -4.523 -7.393 335 HD13 ILE 44 HD13 ILE 44 -1.196 -3.486 -8.690 336 H VAL 45 H VAL 45 -3.603 -8.158 -8.690 337 HA VAL 45 HA VAL 45 -1.576 -9.692 -7.481 338 HB VAL 45 HB VAL 45 -3.417 -10.250 -9.325 339 HG11 VAL 45 HG11 VAL 45 -0.961 -9.642 -10.944 340 HG12 VAL 45 HG12 VAL 45 -2.258 -10.694 -11.512 341 HG13 VAL 45 HG13 VAL 45 -2.589 -8.999 -11.150 342 HG21 VAL 45 HG21 VAL 45 -0.778 -11.689 -9.353 343 HG22 VAL 45 HG22 VAL 45 -1.949 -11.817 -8.042 344 HG23 VAL 45 HG23 VAL 45 -2.380 -12.358 -9.663 345 HA PRO 46 HA PRO 46 2.200 -7.724 -8.930 346 HB2 PRO 46 HB2 PRO 46 3.201 -10.512 -9.124 347 HB3 PRO 46 HB3 PRO 46 3.871 -9.134 -8.243 348 HG2 PRO 46 HG2 PRO 46 2.645 -11.104 -6.942 349 HG3 PRO 46 HG3 PRO 46 2.420 -9.414 -6.449 350 HD2 PRO 46 HD2 PRO 46 0.596 -11.188 -8.031 351 HD3 PRO 46 HD3 PRO 46 0.203 -10.031 -6.742 352 H GLY 47 H GLY 47 0.808 -7.383 -10.897 353 HA2 GLY 47 HA3 GLY 47 2.237 -8.325 -13.216 354 HA3 GLY 47 HA2 GLY 47 0.565 -8.883 -13.133 355 H THR 48 H THR 48 -0.499 -6.613 -11.827 356 HA THR 48 HA THR 48 -0.527 -4.640 -13.941 357 HB THR 48 HB THR 48 -1.899 -3.859 -11.509 358 HG1 THR 48 HG1 THR 48 -3.342 -5.944 -12.447 359 HG21 THR 48 HG21 THR 48 -2.326 -3.961 -14.380 360 HG22 THR 48 HG22 THR 48 -2.995 -2.858 -13.180 361 HG23 THR 48 HG23 THR 48 -3.773 -4.412 -13.477 362 H SER 49 H SER 49 -0.896 -2.321 -12.414 363 HA SER 49 HA SER 49 1.553 -1.987 -10.944 364 HB2 SER 49 HB2 SER 49 1.530 0.131 -12.864 365 HB3 SER 49 HB3 SER 49 2.768 -1.100 -12.610 366 HG SER 49 HG SER 49 1.875 -2.362 -14.143 367 HA PRO 50 HA PRO 50 -0.990 0.895 -8.743 368 HB2 PRO 50 HB2 PRO 50 0.990 2.703 -7.992 369 HB3 PRO 50 HB3 PRO 50 0.538 1.252 -7.097 370 HG2 PRO 50 HG2 PRO 50 2.818 1.706 -8.951 371 HG3 PRO 50 HG3 PRO 50 2.730 0.690 -7.502 372 HD2 PRO 50 HD2 PRO 50 2.667 -0.335 -10.003 373 HD3 PRO 50 HD3 PRO 50 1.798 -1.081 -8.647 374 H ASP 51 H ASP 51 1.307 2.098 -11.108 375 HA ASP 51 HA ASP 51 0.091 4.650 -11.419 376 HB2 ASP 51 HB2 ASP 51 1.733 5.039 -12.920 377 HB3 ASP 51 HB3 ASP 51 2.399 3.512 -12.357 378 H ALA 52 H ALA 52 -0.689 1.482 -12.515 379 HA ALA 52 HA ALA 52 -2.247 2.319 -14.790 380 HB1 ALA 52 HB1 ALA 52 -2.948 -0.306 -13.846 381 HB2 ALA 52 HB2 ALA 52 -2.144 0.169 -15.342 382 HB3 ALA 52 HB3 ALA 52 -1.195 -0.108 -13.883 383 H LEU 53 H LEU 53 -2.801 1.572 -11.440 384 HA LEU 53 HA LEU 53 -5.653 1.496 -11.619 385 HB2 LEU 53 HB2 LEU 53 -3.801 1.794 -9.271 386 HB3 LEU 53 HB3 LEU 53 -5.538 1.635 -9.125 387 HG LEU 53 HG LEU 53 -4.491 -0.509 -10.729 388 HD11 LEU 53 HD11 LEU 53 -2.974 -1.556 -9.321 389 HD12 LEU 53 HD12 LEU 53 -2.478 0.134 -9.238 390 HD13 LEU 53 HD13 LEU 53 -3.432 -0.569 -7.933 391 HD21 LEU 53 HD21 LEU 53 -6.574 -0.098 -9.042 392 HD22 LEU 53 HD22 LEU 53 -6.032 -1.684 -9.592 393 HD23 LEU 53 HD23 LEU 53 -5.501 -1.063 -8.028 394 H THR 54 H THR 54 -3.268 3.797 -10.415 395 HA THR 54 HA THR 54 -4.916 5.934 -9.793 396 HB THR 54 HB THR 54 -2.195 6.182 -11.091 397 HG1 THR 54 HG1 THR 54 -1.785 4.845 -9.415 398 HG21 THR 54 HG21 THR 54 -4.022 8.031 -9.809 399 HG22 THR 54 HG22 THR 54 -2.565 8.355 -10.746 400 HG23 THR 54 HG23 THR 54 -2.445 8.010 -9.021 401 H ALA 55 H ALA 55 -3.380 5.074 -12.873 402 HA ALA 55 HA ALA 55 -4.374 7.271 -14.359 403 HB1 ALA 55 HB1 ALA 55 -3.174 4.636 -15.133 404 HB2 ALA 55 HB2 ALA 55 -3.797 5.756 -16.345 405 HB3 ALA 55 HB3 ALA 55 -2.489 6.254 -15.275 406 H ALA 56 H ALA 56 -5.625 4.052 -13.687 407 HA ALA 56 HA ALA 56 -7.715 4.077 -15.588 408 HB1 ALA 56 HB1 ALA 56 -8.791 2.420 -13.961 409 HB2 ALA 56 HB2 ALA 56 -7.229 1.983 -14.654 410 HB3 ALA 56 HB3 ALA 56 -7.322 2.600 -13.005 411 H VAL 57 H VAL 57 -7.561 5.065 -12.200 412 HA VAL 57 HA VAL 57 -10.274 5.903 -12.042 413 HB VAL 57 HB VAL 57 -7.950 6.760 -10.299 414 HG11 VAL 57 HG11 VAL 57 -9.465 7.604 -8.782 415 HG12 VAL 57 HG12 VAL 57 -10.237 8.024 -10.312 416 HG13 VAL 57 HG13 VAL 57 -10.792 6.621 -9.399 417 HG21 VAL 57 HG21 VAL 57 -9.676 4.857 -9.059 418 HG22 VAL 57 HG22 VAL 57 -9.114 4.209 -10.601 419 HG23 VAL 57 HG23 VAL 57 -7.947 4.738 -9.390 420 H ALA 58 H ALA 58 -7.183 7.568 -12.587 421 HA ALA 58 HA ALA 58 -8.247 10.186 -12.703 422 HB1 ALA 58 HB1 ALA 58 -5.784 9.371 -12.568 423 HB2 ALA 58 HB2 ALA 58 -5.871 9.372 -14.330 424 HB3 ALA 58 HB3 ALA 58 -6.155 10.862 -13.430 425 H GLY 59 H GLY 59 -7.723 7.713 -15.147 426 HA2 GLY 59 HA3 GLY 59 -8.529 9.367 -17.342 427 HA3 GLY 59 HA2 GLY 59 -8.237 7.637 -17.386 428 H LEU 60 H LEU 60 -10.205 7.406 -15.041 429 HA LEU 60 HA LEU 60 -12.538 6.973 -16.648 430 HB2 LEU 60 HB2 LEU 60 -11.624 6.243 -14.056 431 HB3 LEU 60 HB3 LEU 60 -13.209 6.973 -13.903 432 HG LEU 60 HG LEU 60 -13.198 4.485 -14.159 433 HD11 LEU 60 HD11 LEU 60 -15.183 5.840 -14.597 434 HD12 LEU 60 HD12 LEU 60 -14.676 6.033 -16.275 435 HD13 LEU 60 HD13 LEU 60 -15.102 4.436 -15.660 436 HD21 LEU 60 HD21 LEU 60 -12.237 3.457 -15.882 437 HD22 LEU 60 HD22 LEU 60 -12.988 4.551 -17.044 438 HD23 LEU 60 HD23 LEU 60 -11.475 5.001 -16.260 439 H GLY 61 H GLY 61 -11.273 9.700 -15.134 440 HA2 GLY 61 HA3 GLY 61 -12.427 11.810 -15.646 441 HA3 GLY 61 HA2 GLY 61 -13.923 11.007 -15.183 442 H TYR 62 H TYR 62 -12.225 9.671 -13.012 443 HA TYR 62 HA TYR 62 -12.693 11.739 -11.024 444 HB2 TYR 62 HB2 TYR 62 -11.680 8.944 -10.505 445 HB3 TYR 62 HB3 TYR 62 -12.482 10.029 -9.379 446 HD1 TYR 62 HD2 TYR 62 -14.926 10.442 -9.597 447 HD2 TYR 62 HD1 TYR 62 -12.925 7.519 -11.952 448 HE1 TYR 62 HE2 TYR 62 -17.088 9.409 -10.140 449 HE2 TYR 62 HE1 TYR 62 -15.085 6.482 -12.511 450 HH TYR 62 HH TYR 62 -17.884 7.045 -10.855 451 H LYS 63 H LYS 63 -10.768 11.008 -9.134 452 HA LYS 63 HA LYS 63 -8.185 11.374 -10.452 453 HB2 LYS 63 HB2 LYS 63 -9.599 13.390 -8.891 454 HB3 LYS 63 HB3 LYS 63 -8.010 13.032 -8.230 455 HG2 LYS 63 HG2 LYS 63 -7.399 14.650 -9.683 456 HG3 LYS 63 HG3 LYS 63 -7.335 13.279 -10.795 457 HD2 LYS 63 HD2 LYS 63 -9.932 13.953 -11.036 458 HD3 LYS 63 HD3 LYS 63 -9.240 15.534 -10.660 459 HE2 LYS 63 HE2 LYS 63 -9.365 15.085 -13.087 460 HE3 LYS 63 HE3 LYS 63 -7.720 15.363 -12.520 461 HZ1 LYS 63 HZ1 LYS 63 -8.132 13.431 -14.113 462 HZ2 LYS 63 HZ2 LYS 63 -8.799 12.624 -12.779 463 HZ3 LYS 63 HZ3 LYS 63 -7.180 13.132 -12.743 464 H ALA 64 H ALA 64 -6.439 10.592 -9.258 465 HA ALA 64 HA ALA 64 -6.884 9.600 -6.572 466 HB1 ALA 64 HB1 ALA 64 -6.731 7.832 -8.941 467 HB2 ALA 64 HB2 ALA 64 -5.779 7.353 -7.536 468 HB3 ALA 64 HB3 ALA 64 -7.522 7.578 -7.383 469 H THR 65 H THR 65 -4.945 9.144 -5.470 470 HA THR 65 HA THR 65 -2.455 9.680 -6.913 471 HB THR 65 HB THR 65 -2.322 10.827 -4.278 472 HG1 THR 65 HG1 THR 65 -4.180 12.130 -6.002 473 HG21 THR 65 HG21 THR 65 -1.253 11.242 -6.807 474 HG22 THR 65 HG22 THR 65 -0.948 12.212 -5.365 475 HG23 THR 65 HG23 THR 65 -2.212 12.690 -6.498 476 H LEU 66 H LEU 66 -1.122 8.034 -6.554 477 HA LEU 66 HA LEU 66 -1.655 6.098 -4.536 478 HB2 LEU 66 HB2 LEU 66 -0.689 5.133 -6.389 479 HB3 LEU 66 HB3 LEU 66 0.432 6.454 -6.635 480 HG LEU 66 HG LEU 66 1.405 5.487 -4.322 481 HD11 LEU 66 HD11 LEU 66 -0.471 3.644 -4.694 482 HD12 LEU 66 HD12 LEU 66 0.796 2.927 -5.687 483 HD13 LEU 66 HD13 LEU 66 1.096 3.260 -3.981 484 HD21 LEU 66 HD21 LEU 66 2.076 5.402 -7.088 485 HD22 LEU 66 HD22 LEU 66 3.149 5.381 -5.689 486 HD23 LEU 66 HD23 LEU 66 2.528 3.868 -6.348 487 H ALA 67 H ALA 67 -1.164 6.228 -2.489 488 HA ALA 67 HA ALA 67 1.340 7.441 -1.626 489 HB1 ALA 67 HB1 ALA 67 -1.353 8.282 -0.551 490 HB2 ALA 67 HB2 ALA 67 0.207 8.755 0.123 491 HB3 ALA 67 HB3 ALA 67 -0.251 9.281 -1.498 492 H ASP 68 H ASP 68 1.759 5.181 -1.355 493 HA ASP 68 HA ASP 68 0.066 3.572 0.295 494 HB2 ASP 68 HB2 ASP 68 1.380 1.782 -0.323 495 HB3 ASP 68 HB3 ASP 68 1.632 2.874 -1.678 496 H ALA 69 H ALA 69 1.250 2.163 2.002 497 HA ALA 69 HA ALA 69 2.053 1.997 4.104 498 HB1 ALA 69 HB1 ALA 69 3.897 3.960 2.884 499 HB2 ALA 69 HB2 ALA 69 3.897 3.852 4.644 500 HB3 ALA 69 HB3 ALA 69 4.238 2.420 3.672 Start of MODEL 17 1 H1 MET 1 H1 MET 1 0.907 -4.853 -1.060 2 H2 MET 1 H2 MET 1 1.490 -3.273 -0.897 3 H3 MET 1 H3 MET 1 0.701 -3.742 -2.319 4 HA MET 1 HA MET 1 -1.348 -4.088 -1.085 5 HB2 MET 1 HB2 MET 1 0.468 -3.744 1.136 6 HB3 MET 1 HB3 MET 1 -0.844 -2.577 1.236 7 HG2 MET 1 HG2 MET 1 -0.893 -5.215 2.076 8 HG3 MET 1 HG3 MET 1 -2.266 -4.122 1.921 9 HE1 MET 1 HE1 MET 1 -0.526 -7.250 -0.589 10 HE2 MET 1 HE2 MET 1 -0.503 -7.021 1.159 11 HE3 MET 1 HE3 MET 1 -1.766 -8.001 0.415 12 H THR 2 H THR 2 -1.534 -2.665 -2.905 13 HA THR 2 HA THR 2 -0.724 0.047 -2.830 14 HB THR 2 HB THR 2 -2.901 -1.044 -4.598 15 HG1 THR 2 HG1 THR 2 -0.078 -1.429 -4.768 16 HG21 THR 2 HG21 THR 2 -2.669 0.942 -5.587 17 HG22 THR 2 HG22 THR 2 -1.000 0.525 -5.969 18 HG23 THR 2 HG23 THR 2 -1.373 1.376 -4.471 19 H HIS 3 H HIS 3 -1.569 1.502 -1.469 20 HA HIS 3 HA HIS 3 -4.497 1.766 -1.499 21 HB2 HIS 3 HB2 HIS 3 -4.053 2.988 0.813 22 HB3 HIS 3 HB3 HIS 3 -4.334 1.256 0.728 23 HD1 HIS 3 HD1 HIS 3 -2.576 -0.213 1.709 24 HD2 HIS 3 HD2 HIS 3 -1.235 3.677 1.110 25 HE1 HIS 3 HE1 HIS 3 -0.301 -0.105 2.783 26 HE2 HIS 3 HE2 HIS 3 0.575 2.184 2.199 27 H LEU 4 H LEU 4 -4.792 3.349 -2.900 28 HA LEU 4 HA LEU 4 -3.025 5.684 -2.821 29 HB2 LEU 4 HB2 LEU 4 -5.150 5.638 -4.832 30 HB3 LEU 4 HB3 LEU 4 -3.450 6.011 -5.006 31 HG LEU 4 HG LEU 4 -3.844 3.188 -4.530 32 HD11 LEU 4 HD11 LEU 4 -5.131 2.555 -6.349 33 HD12 LEU 4 HD12 LEU 4 -6.022 3.935 -5.707 34 HD13 LEU 4 HD13 LEU 4 -4.991 4.132 -7.125 35 HD21 LEU 4 HD21 LEU 4 -1.849 4.415 -5.481 36 HD22 LEU 4 HD22 LEU 4 -2.367 2.976 -6.360 37 HD23 LEU 4 HD23 LEU 4 -2.778 4.578 -6.972 38 H LYS 5 H LYS 5 -3.898 7.817 -2.767 39 HA LYS 5 HA LYS 5 -6.366 8.019 -1.249 40 HB2 LYS 5 HB2 LYS 5 -5.836 10.512 -1.321 41 HB3 LYS 5 HB3 LYS 5 -4.690 9.496 -0.456 42 HG2 LYS 5 HG2 LYS 5 -3.411 9.463 -2.711 43 HG3 LYS 5 HG3 LYS 5 -4.385 10.887 -3.081 44 HD2 LYS 5 HD2 LYS 5 -3.432 11.304 -0.489 45 HD3 LYS 5 HD3 LYS 5 -2.065 10.636 -1.384 46 HE2 LYS 5 HE2 LYS 5 -3.073 12.433 -3.167 47 HE3 LYS 5 HE3 LYS 5 -3.400 13.235 -1.630 48 HZ1 LYS 5 HZ1 LYS 5 -0.930 12.914 -2.998 49 HZ2 LYS 5 HZ2 LYS 5 -0.827 12.268 -1.434 50 HZ3 LYS 5 HZ3 LYS 5 -1.290 13.884 -1.654 51 H ILE 6 H ILE 6 -8.282 8.753 -2.034 52 HA ILE 6 HA ILE 6 -8.382 8.966 -4.954 53 HB ILE 6 HB ILE 6 -9.841 7.394 -3.235 54 HG12 ILE 6 HG12 ILE 6 -9.421 7.217 -5.733 55 HG13 ILE 6 HG13 ILE 6 -10.987 6.651 -5.168 56 HG21 ILE 6 HG21 ILE 6 -11.521 9.777 -3.950 57 HG22 ILE 6 HG22 ILE 6 -12.207 8.207 -3.535 58 HG23 ILE 6 HG23 ILE 6 -11.230 9.083 -2.356 59 HD11 ILE 6 HD11 ILE 6 -11.457 9.288 -5.799 60 HD12 ILE 6 HD12 ILE 6 -10.329 8.758 -7.048 61 HD13 ILE 6 HD13 ILE 6 -11.844 7.887 -6.798 62 H THR 7 H THR 7 -9.543 10.581 -5.990 63 HA THR 7 HA THR 7 -10.513 12.828 -4.423 64 HB THR 7 HB THR 7 -9.013 13.922 -6.585 65 HG1 THR 7 HG1 THR 7 -7.887 11.704 -5.870 66 HG21 THR 7 HG21 THR 7 -9.568 14.516 -3.957 67 HG22 THR 7 HG22 THR 7 -8.489 15.431 -5.007 68 HG23 THR 7 HG23 THR 7 -7.832 14.202 -3.925 69 H GLY 8 H GLY 8 -11.971 14.134 -5.661 70 HA2 GLY 8 HA3 GLY 8 -13.220 14.568 -7.628 71 HA3 GLY 8 HA2 GLY 8 -12.697 13.024 -8.280 72 H MET 9 H MET 9 -13.387 12.361 -5.211 73 HA MET 9 HA MET 9 -16.272 12.235 -5.371 74 HB2 MET 9 HB2 MET 9 -16.493 9.869 -5.282 75 HB3 MET 9 HB3 MET 9 -15.423 10.214 -6.633 76 HG2 MET 9 HG2 MET 9 -13.738 9.076 -5.728 77 HG3 MET 9 HG3 MET 9 -13.997 9.786 -4.136 78 HE1 MET 9 HE1 MET 9 -13.247 6.953 -5.513 79 HE2 MET 9 HE2 MET 9 -14.167 5.635 -4.788 80 HE3 MET 9 HE3 MET 9 -14.726 6.379 -6.285 81 H THR 10 H THR 10 -17.233 11.774 -3.336 82 HA THR 10 HA THR 10 -15.350 11.976 -1.080 83 HB THR 10 HB THR 10 -17.745 13.621 -0.846 84 HG1 THR 10 HG1 THR 10 -17.167 13.907 -3.100 85 HG21 THR 10 HG21 THR 10 -16.396 14.928 0.445 86 HG22 THR 10 HG22 THR 10 -15.009 14.736 -0.629 87 HG23 THR 10 HG23 THR 10 -15.433 13.451 0.503 88 H CYS 11 H CYS 11 -17.428 9.903 -2.106 89 HA CYS 11 HA CYS 11 -18.383 9.024 0.389 90 HB2 CYS 11 HB2 CYS 11 -20.857 9.438 -0.079 91 HB3 CYS 11 HB3 CYS 11 -19.909 10.817 0.462 92 H ASP 12 H ASP 12 -20.693 7.727 -0.210 93 HA ASP 12 HA ASP 12 -19.365 5.380 -1.053 94 HB2 ASP 12 HB2 ASP 12 -20.832 5.093 0.719 95 HB3 ASP 12 HB3 ASP 12 -22.094 6.057 -0.032 96 H SER 13 H SER 13 -21.785 7.397 -2.638 97 HA SER 13 HA SER 13 -22.758 5.549 -4.479 98 HB2 SER 13 HB2 SER 13 -22.741 8.041 -5.786 99 HB3 SER 13 HB3 SER 13 -24.059 7.343 -4.844 100 HG SER 13 HG SER 13 -23.710 8.816 -3.400 101 H CYS 14 H CYS 14 -20.093 7.849 -4.910 102 HA CYS 14 HA CYS 14 -19.396 6.765 -7.469 103 HB2 CYS 14 HB2 CYS 14 -17.356 8.290 -5.966 104 HB3 CYS 14 HB3 CYS 14 -17.948 8.513 -7.610 105 H ALA 15 H ALA 15 -18.457 6.256 -4.148 106 HA ALA 15 HA ALA 15 -16.198 4.592 -4.725 107 HB1 ALA 15 HB1 ALA 15 -17.760 5.051 -2.193 108 HB2 ALA 15 HB2 ALA 15 -16.308 4.054 -2.297 109 HB3 ALA 15 HB3 ALA 15 -16.221 5.779 -2.654 110 H ALA 16 H ALA 16 -18.312 3.698 -6.207 111 HA ALA 16 HA ALA 16 -18.327 0.920 -5.413 112 HB1 ALA 16 HB1 ALA 16 -21.005 2.119 -6.024 113 HB2 ALA 16 HB2 ALA 16 -20.624 0.595 -5.224 114 HB3 ALA 16 HB3 ALA 16 -20.382 2.122 -4.375 115 H HIS 17 H HIS 17 -19.599 3.369 -7.674 116 HA HIS 17 HA HIS 17 -19.590 1.662 -9.936 117 HB2 HIS 17 HB2 HIS 17 -20.693 3.991 -9.638 118 HB3 HIS 17 HB3 HIS 17 -19.121 4.616 -10.109 119 HD1 HIS 17 HD1 HIS 17 -22.108 4.431 -11.646 120 HD2 HIS 17 HD2 HIS 17 -18.462 2.690 -12.641 121 HE1 HIS 17 HE1 HIS 17 -22.224 3.965 -14.111 122 HE2 HIS 17 HE2 HIS 17 -19.919 3.161 -14.728 123 H VAL 18 H VAL 18 -17.240 3.900 -8.579 124 HA VAL 18 HA VAL 18 -15.217 3.468 -10.524 125 HB VAL 18 HB VAL 18 -15.114 4.542 -7.700 126 HG11 VAL 18 HG11 VAL 18 -12.809 5.115 -7.998 127 HG12 VAL 18 HG12 VAL 18 -12.977 3.385 -8.300 128 HG13 VAL 18 HG13 VAL 18 -12.816 4.503 -9.653 129 HG21 VAL 18 HG21 VAL 18 -14.285 6.185 -9.987 130 HG22 VAL 18 HG22 VAL 18 -15.982 5.703 -9.998 131 HG23 VAL 18 HG23 VAL 18 -15.326 6.583 -8.618 132 H LYS 19 H LYS 19 -16.002 1.991 -7.427 133 HA LYS 19 HA LYS 19 -13.800 0.258 -7.214 134 HB2 LYS 19 HB2 LYS 19 -15.735 0.823 -5.532 135 HB3 LYS 19 HB3 LYS 19 -16.538 -0.545 -6.281 136 HG2 LYS 19 HG2 LYS 19 -14.141 -1.624 -5.759 137 HG3 LYS 19 HG3 LYS 19 -14.246 -0.454 -4.445 138 HD2 LYS 19 HD2 LYS 19 -15.328 -2.168 -3.428 139 HD3 LYS 19 HD3 LYS 19 -16.708 -1.490 -4.293 140 HE2 LYS 19 HE2 LYS 19 -16.986 -3.451 -5.292 141 HE3 LYS 19 HE3 LYS 19 -15.437 -3.219 -6.099 142 HZ1 LYS 19 HZ1 LYS 19 -15.944 -5.284 -4.537 143 HZ2 LYS 19 HZ2 LYS 19 -15.345 -4.220 -3.360 144 HZ3 LYS 19 HZ3 LYS 19 -14.389 -4.630 -4.702 145 H GLU 20 H GLU 20 -16.918 -0.052 -8.855 146 HA GLU 20 HA GLU 20 -16.594 -2.715 -9.723 147 HB2 GLU 20 HB2 GLU 20 -18.728 -1.398 -9.778 148 HB3 GLU 20 HB3 GLU 20 -18.089 -0.511 -11.153 149 HG2 GLU 20 HG2 GLU 20 -17.785 -3.181 -11.845 150 HG3 GLU 20 HG3 GLU 20 -19.356 -3.101 -11.050 151 H ALA 21 H ALA 21 -16.033 0.355 -11.435 152 HA ALA 21 HA ALA 21 -14.975 -0.687 -13.786 153 HB1 ALA 21 HB1 ALA 21 -13.822 1.852 -12.771 154 HB2 ALA 21 HB2 ALA 21 -14.497 1.466 -14.354 155 HB3 ALA 21 HB3 ALA 21 -15.571 1.781 -12.992 156 H LEU 22 H LEU 22 -13.351 0.161 -10.766 157 HA LEU 22 HA LEU 22 -10.718 -0.326 -11.653 158 HB2 LEU 22 HB2 LEU 22 -12.068 0.280 -9.163 159 HB3 LEU 22 HB3 LEU 22 -10.756 -0.853 -8.921 160 HG LEU 22 HG LEU 22 -10.436 1.798 -10.333 161 HD11 LEU 22 HD11 LEU 22 -10.138 2.841 -8.385 162 HD12 LEU 22 HD12 LEU 22 -10.960 1.462 -7.656 163 HD13 LEU 22 HD13 LEU 22 -9.198 1.507 -7.715 164 HD21 LEU 22 HD21 LEU 22 -7.999 1.187 -9.488 165 HD22 LEU 22 HD22 LEU 22 -8.636 -0.451 -9.635 166 HD23 LEU 22 HD23 LEU 22 -8.626 0.619 -11.036 167 H GLU 23 H GLU 23 -13.050 -2.413 -9.927 168 HA GLU 23 HA GLU 23 -11.219 -4.617 -9.892 169 HB2 GLU 23 HB2 GLU 23 -13.823 -4.034 -8.777 170 HB3 GLU 23 HB3 GLU 23 -13.773 -5.656 -9.459 171 HG2 GLU 23 HG2 GLU 23 -11.717 -6.090 -8.161 172 HG3 GLU 23 HG3 GLU 23 -11.896 -4.509 -7.407 173 H LYS 24 H LYS 24 -13.161 -3.303 -12.303 174 HA LYS 24 HA LYS 24 -13.499 -5.759 -13.787 175 HB2 LYS 24 HB2 LYS 24 -13.948 -2.851 -14.394 176 HB3 LYS 24 HB3 LYS 24 -13.951 -4.037 -15.691 177 HG2 LYS 24 HG2 LYS 24 -15.703 -4.277 -13.266 178 HG3 LYS 24 HG3 LYS 24 -16.195 -3.427 -14.732 179 HD2 LYS 24 HD2 LYS 24 -15.938 -5.450 -16.033 180 HD3 LYS 24 HD3 LYS 24 -15.315 -6.310 -14.622 181 HE2 LYS 24 HE2 LYS 24 -17.470 -5.944 -13.483 182 HE3 LYS 24 HE3 LYS 24 -18.086 -5.152 -14.934 183 HZ1 LYS 24 HZ1 LYS 24 -18.845 -7.277 -15.204 184 HZ2 LYS 24 HZ2 LYS 24 -17.490 -7.998 -14.480 185 HZ3 LYS 24 HZ3 LYS 24 -17.382 -7.377 -16.055 186 H VAL 25 H VAL 25 -10.879 -3.900 -13.034 187 HA VAL 25 HA VAL 25 -9.470 -4.178 -15.553 188 HB VAL 25 HB VAL 25 -8.542 -3.216 -12.838 189 HG11 VAL 25 HG11 VAL 25 -6.786 -4.269 -14.392 190 HG12 VAL 25 HG12 VAL 25 -7.026 -2.838 -15.394 191 HG13 VAL 25 HG13 VAL 25 -6.461 -2.665 -13.732 192 HG21 VAL 25 HG21 VAL 25 -8.480 -1.005 -13.981 193 HG22 VAL 25 HG22 VAL 25 -9.268 -1.755 -15.372 194 HG23 VAL 25 HG23 VAL 25 -10.100 -1.684 -13.819 195 HA PRO 26 HA PRO 26 -8.118 -8.310 -14.556 196 HB2 PRO 26 HB2 PRO 26 -6.240 -8.523 -16.527 197 HB3 PRO 26 HB3 PRO 26 -7.973 -8.726 -16.806 198 HG2 PRO 26 HG2 PRO 26 -6.243 -6.335 -17.295 199 HG3 PRO 26 HG3 PRO 26 -7.540 -7.004 -18.302 200 HD2 PRO 26 HD2 PRO 26 -7.898 -4.845 -16.717 201 HD3 PRO 26 HD3 PRO 26 -9.197 -6.012 -17.045 202 H GLY 27 H GLY 27 -6.608 -9.099 -13.239 203 HA2 GLY 27 HA3 GLY 27 -4.340 -9.213 -12.401 204 HA3 GLY 27 HA2 GLY 27 -4.153 -7.512 -12.816 205 H VAL 28 H VAL 28 -7.132 -7.595 -11.709 206 HA VAL 28 HA VAL 28 -6.363 -6.658 -9.079 207 HB VAL 28 HB VAL 28 -8.156 -5.683 -10.798 208 HG11 VAL 28 HG11 VAL 28 -9.622 -7.794 -9.295 209 HG12 VAL 28 HG12 VAL 28 -10.445 -6.277 -9.668 210 HG13 VAL 28 HG13 VAL 28 -9.792 -7.270 -10.970 211 HG21 VAL 28 HG21 VAL 28 -8.812 -4.249 -9.131 212 HG22 VAL 28 HG22 VAL 28 -8.938 -5.528 -7.924 213 HG23 VAL 28 HG23 VAL 28 -7.353 -4.938 -8.422 214 H GLN 29 H GLN 29 -7.583 -7.353 -7.163 215 HA GLN 29 HA GLN 29 -8.711 -10.060 -7.353 216 HB2 GLN 29 HB2 GLN 29 -6.251 -9.540 -6.221 217 HB3 GLN 29 HB3 GLN 29 -7.325 -9.503 -4.832 218 HG2 GLN 29 HG2 GLN 29 -8.070 -11.727 -5.265 219 HG3 GLN 29 HG3 GLN 29 -7.213 -11.767 -6.805 220 HE21 GLN 29 HE21 GLN 29 -5.814 -13.375 -6.447 221 HE22 GLN 29 HE22 GLN 29 -4.603 -13.374 -5.209 222 H SER 30 H SER 30 -8.292 -7.206 -5.271 223 HA SER 30 HA SER 30 -11.145 -7.131 -4.766 224 HB2 SER 30 HB2 SER 30 -9.415 -7.072 -2.317 225 HB3 SER 30 HB3 SER 30 -11.121 -7.489 -2.469 226 HG SER 30 HG SER 30 -10.468 -9.445 -3.476 227 H ALA 31 H ALA 31 -11.820 -5.070 -4.671 228 HA ALA 31 HA ALA 31 -9.780 -2.983 -4.236 229 HB1 ALA 31 HB1 ALA 31 -11.654 -3.320 -6.307 230 HB2 ALA 31 HB2 ALA 31 -12.208 -1.944 -5.351 231 HB3 ALA 31 HB3 ALA 31 -10.581 -1.946 -6.032 232 H LEU 32 H LEU 32 -9.846 -2.381 -2.159 233 HA LEU 32 HA LEU 32 -12.454 -2.113 -0.834 234 HB2 LEU 32 HB2 LEU 32 -9.651 -2.195 0.287 235 HB3 LEU 32 HB3 LEU 32 -11.091 -1.928 1.251 236 HG LEU 32 HG LEU 32 -11.408 -4.322 -0.307 237 HD11 LEU 32 HD11 LEU 32 -8.747 -3.909 0.292 238 HD12 LEU 32 HD12 LEU 32 -9.317 -4.925 1.616 239 HD13 LEU 32 HD13 LEU 32 -9.509 -5.462 -0.054 240 HD21 LEU 32 HD21 LEU 32 -11.859 -3.306 2.335 241 HD22 LEU 32 HD22 LEU 32 -12.622 -4.670 1.516 242 HD23 LEU 32 HD23 LEU 32 -11.127 -4.909 2.421 243 H VAL 33 H VAL 33 -12.893 -0.146 -2.037 244 HA VAL 33 HA VAL 33 -11.240 2.158 -1.465 245 HB VAL 33 HB VAL 33 -13.898 2.175 -2.837 246 HG11 VAL 33 HG11 VAL 33 -13.175 4.236 -3.810 247 HG12 VAL 33 HG12 VAL 33 -12.924 4.340 -2.068 248 HG13 VAL 33 HG13 VAL 33 -11.555 4.038 -3.141 249 HG21 VAL 33 HG21 VAL 33 -12.014 0.602 -3.769 250 HG22 VAL 33 HG22 VAL 33 -12.982 1.599 -4.855 251 HG23 VAL 33 HG23 VAL 33 -11.363 2.120 -4.385 252 H SER 34 H SER 34 -11.373 2.944 0.519 253 HA SER 34 HA SER 34 -13.839 2.796 2.038 254 HB2 SER 34 HB2 SER 34 -11.975 4.293 3.487 255 HB3 SER 34 HB3 SER 34 -12.290 2.566 3.661 256 HG SER 34 HG SER 34 -10.601 2.109 2.327 257 H TYR 35 H TYR 35 -15.336 4.268 1.412 258 HA TYR 35 HA TYR 35 -14.716 6.727 0.229 259 HB2 TYR 35 HB2 TYR 35 -17.255 7.157 1.178 260 HB3 TYR 35 HB3 TYR 35 -16.835 6.449 -0.371 261 HD1 TYR 35 HD1 TYR 35 -16.539 3.845 -0.368 262 HD2 TYR 35 HD2 TYR 35 -18.684 6.006 2.605 263 HE1 TYR 35 HE1 TYR 35 -17.719 1.787 0.271 264 HE2 TYR 35 HE2 TYR 35 -19.875 3.955 3.245 265 HH TYR 35 HH TYR 35 -19.078 1.222 2.944 266 HA PRO 36 HA PRO 36 -15.748 8.769 4.585 267 HB2 PRO 36 HB2 PRO 36 -14.451 6.717 6.300 268 HB3 PRO 36 HB3 PRO 36 -15.883 7.703 6.609 269 HG2 PRO 36 HG2 PRO 36 -16.117 5.124 6.022 270 HG3 PRO 36 HG3 PRO 36 -17.269 6.311 5.383 271 HD2 PRO 36 HD2 PRO 36 -14.977 4.963 4.010 272 HD3 PRO 36 HD3 PRO 36 -16.595 5.350 3.387 273 H LYS 37 H LYS 37 -12.924 6.642 4.276 274 HA LYS 37 HA LYS 37 -11.137 8.648 5.322 275 HB2 LYS 37 HB2 LYS 37 -10.997 6.027 5.465 276 HB3 LYS 37 HB3 LYS 37 -10.194 6.190 3.910 277 HG2 LYS 37 HG2 LYS 37 -8.551 7.705 4.948 278 HG3 LYS 37 HG3 LYS 37 -9.335 7.439 6.508 279 HD2 LYS 37 HD2 LYS 37 -8.429 5.395 6.758 280 HD3 LYS 37 HD3 LYS 37 -8.616 4.991 5.049 281 HE2 LYS 37 HE2 LYS 37 -6.271 5.083 5.629 282 HE3 LYS 37 HE3 LYS 37 -6.670 6.398 4.524 283 HZ1 LYS 37 HZ1 LYS 37 -6.682 6.819 7.443 284 HZ2 LYS 37 HZ2 LYS 37 -6.501 7.965 6.203 285 HZ3 LYS 37 HZ3 LYS 37 -5.235 6.899 6.568 286 H GLY 38 H GLY 38 -12.036 7.354 2.188 287 HA2 GLY 38 HA3 GLY 38 -11.764 8.385 0.112 288 HA3 GLY 38 HA2 GLY 38 -10.709 9.576 0.865 289 H THR 39 H THR 39 -10.465 6.057 1.011 290 HA THR 39 HA THR 39 -7.885 6.257 -0.397 291 HB THR 39 HB THR 39 -7.590 4.075 1.250 292 HG1 THR 39 HG1 THR 39 -9.315 4.495 2.563 293 HG21 THR 39 HG21 THR 39 -6.489 6.187 2.685 294 HG22 THR 39 HG22 THR 39 -6.522 6.762 1.017 295 HG23 THR 39 HG23 THR 39 -5.698 5.254 1.416 296 H ALA 40 H ALA 40 -7.480 4.748 -1.919 297 HA ALA 40 HA ALA 40 -9.492 2.641 -2.313 298 HB1 ALA 40 HB1 ALA 40 -8.842 2.571 -4.606 299 HB2 ALA 40 HB2 ALA 40 -9.058 4.268 -4.176 300 HB3 ALA 40 HB3 ALA 40 -7.434 3.590 -4.300 301 H GLN 41 H GLN 41 -8.774 1.037 -0.975 302 HA GLN 41 HA GLN 41 -5.992 0.193 -1.076 303 HB2 GLN 41 HB2 GLN 41 -7.253 0.178 1.069 304 HB3 GLN 41 HB3 GLN 41 -8.327 -1.045 0.403 305 HG2 GLN 41 HG2 GLN 41 -6.952 -2.512 1.354 306 HG3 GLN 41 HG3 GLN 41 -5.875 -2.171 0.002 307 HE21 GLN 41 HE21 GLN 41 -6.679 -1.058 3.269 308 HE22 GLN 41 HE22 GLN 41 -5.066 -0.592 3.695 309 H LEU 42 H LEU 42 -5.492 -0.776 -2.944 310 HA LEU 42 HA LEU 42 -7.449 -2.632 -4.101 311 HB2 LEU 42 HB2 LEU 42 -5.417 -0.801 -5.273 312 HB3 LEU 42 HB3 LEU 42 -5.843 -2.257 -6.153 313 HG LEU 42 HG LEU 42 -8.148 -0.695 -5.224 314 HD11 LEU 42 HD11 LEU 42 -6.361 0.433 -7.371 315 HD12 LEU 42 HD12 LEU 42 -7.931 1.059 -6.865 316 HD13 LEU 42 HD13 LEU 42 -6.562 1.110 -5.756 317 HD21 LEU 42 HD21 LEU 42 -8.851 -1.126 -7.570 318 HD22 LEU 42 HD22 LEU 42 -7.305 -1.936 -7.838 319 HD23 LEU 42 HD23 LEU 42 -8.450 -2.586 -6.664 320 H ALA 43 H ALA 43 -7.043 -4.647 -3.708 321 HA ALA 43 HA ALA 43 -4.344 -5.640 -3.368 322 HB1 ALA 43 HB1 ALA 43 -7.086 -6.766 -2.980 323 HB2 ALA 43 HB2 ALA 43 -5.728 -7.868 -3.206 324 HB3 ALA 43 HB3 ALA 43 -5.722 -6.724 -1.863 325 H ILE 44 H ILE 44 -3.616 -5.167 -5.433 326 HA ILE 44 HA ILE 44 -4.763 -6.605 -7.690 327 HB ILE 44 HB ILE 44 -2.699 -5.507 -8.872 328 HG12 ILE 44 HG12 ILE 44 -2.807 -3.199 -7.182 329 HG13 ILE 44 HG13 ILE 44 -2.353 -4.587 -6.199 330 HG21 ILE 44 HG21 ILE 44 -5.354 -4.580 -8.203 331 HG22 ILE 44 HG22 ILE 44 -4.249 -3.240 -8.511 332 HG23 ILE 44 HG23 ILE 44 -4.478 -4.492 -9.732 333 HD11 ILE 44 HD11 ILE 44 -0.380 -4.902 -7.317 334 HD12 ILE 44 HD12 ILE 44 -0.965 -4.133 -8.793 335 HD13 ILE 44 HD13 ILE 44 -0.539 -3.147 -7.393 336 H VAL 45 H VAL 45 -2.163 -6.852 -9.010 337 HA VAL 45 HA VAL 45 -0.680 -8.886 -7.595 338 HB VAL 45 HB VAL 45 -2.391 -9.645 -9.964 339 HG11 VAL 45 HG11 VAL 45 -1.229 -11.958 -9.000 340 HG12 VAL 45 HG12 VAL 45 -0.797 -11.101 -10.479 341 HG13 VAL 45 HG13 VAL 45 0.078 -10.775 -8.982 342 HG21 VAL 45 HG21 VAL 45 -2.767 -10.011 -7.109 343 HG22 VAL 45 HG22 VAL 45 -3.909 -10.221 -8.436 344 HG23 VAL 45 HG23 VAL 45 -2.815 -11.533 -8.001 345 HA PRO 46 HA PRO 46 2.619 -7.125 -10.000 346 HB2 PRO 46 HB2 PRO 46 3.284 -10.038 -10.250 347 HB3 PRO 46 HB3 PRO 46 4.356 -8.671 -9.921 348 HG2 PRO 46 HG2 PRO 46 3.505 -10.238 -7.942 349 HG3 PRO 46 HG3 PRO 46 3.668 -8.486 -7.720 350 HD2 PRO 46 HD2 PRO 46 1.220 -10.131 -7.942 351 HD3 PRO 46 HD3 PRO 46 1.451 -8.547 -7.180 352 H GLY 47 H GLY 47 1.872 -6.356 -11.871 353 HA2 GLY 47 HA3 GLY 47 2.142 -7.264 -14.355 354 HA3 GLY 47 HA2 GLY 47 0.689 -8.131 -13.863 355 H THR 48 H THR 48 0.442 -5.584 -12.059 356 HA THR 48 HA THR 48 -0.399 -3.605 -14.022 357 HB THR 48 HB THR 48 -2.235 -4.291 -11.734 358 HG1 THR 48 HG1 THR 48 -1.796 -5.777 -13.963 359 HG21 THR 48 HG21 THR 48 -3.325 -3.285 -14.260 360 HG22 THR 48 HG22 THR 48 -2.193 -2.185 -13.476 361 HG23 THR 48 HG23 THR 48 -3.618 -2.748 -12.603 362 H SER 49 H SER 49 0.999 -2.092 -13.457 363 HA SER 49 HA SER 49 2.029 -1.806 -10.863 364 HB2 SER 49 HB2 SER 49 2.372 0.587 -12.431 365 HB3 SER 49 HB3 SER 49 3.574 -0.622 -11.978 366 HG SER 49 HG SER 49 3.211 -0.341 -14.290 367 HA PRO 50 HA PRO 50 -0.886 0.816 -8.817 368 HB2 PRO 50 HB2 PRO 50 1.413 2.439 -7.885 369 HB3 PRO 50 HB3 PRO 50 0.175 1.605 -6.941 370 HG2 PRO 50 HG2 PRO 50 2.663 0.652 -7.073 371 HG3 PRO 50 HG3 PRO 50 1.263 -0.438 -7.068 372 HD2 PRO 50 HD2 PRO 50 2.983 0.428 -9.356 373 HD3 PRO 50 HD3 PRO 50 2.285 -1.169 -9.013 374 H ASP 51 H ASP 51 1.657 2.252 -10.720 375 HA ASP 51 HA ASP 51 0.508 4.822 -11.001 376 HB2 ASP 51 HB2 ASP 51 2.897 3.951 -11.628 377 HB3 ASP 51 HB3 ASP 51 2.149 3.548 -13.169 378 H ALA 52 H ALA 52 -0.118 1.745 -12.448 379 HA ALA 52 HA ALA 52 -1.536 2.792 -14.734 380 HB1 ALA 52 HB1 ALA 52 -0.336 0.556 -14.652 381 HB2 ALA 52 HB2 ALA 52 -1.692 -0.024 -13.684 382 HB3 ALA 52 HB3 ALA 52 -1.964 0.545 -15.331 383 H LEU 53 H LEU 53 -2.262 1.651 -11.521 384 HA LEU 53 HA LEU 53 -5.100 1.590 -11.835 385 HB2 LEU 53 HB2 LEU 53 -3.358 1.706 -9.390 386 HB3 LEU 53 HB3 LEU 53 -5.102 1.537 -9.335 387 HG LEU 53 HG LEU 53 -3.838 -0.443 -11.053 388 HD11 LEU 53 HD11 LEU 53 -2.243 0.112 -8.972 389 HD12 LEU 53 HD12 LEU 53 -3.348 -1.024 -8.199 390 HD13 LEU 53 HD13 LEU 53 -2.442 -1.512 -9.631 391 HD21 LEU 53 HD21 LEU 53 -6.086 -0.142 -9.305 392 HD22 LEU 53 HD22 LEU 53 -5.789 -1.362 -10.544 393 HD23 LEU 53 HD23 LEU 53 -5.202 -1.613 -8.900 394 H THR 54 H THR 54 -2.783 3.853 -10.408 395 HA THR 54 HA THR 54 -4.525 5.932 -9.765 396 HB THR 54 HB THR 54 -1.726 6.279 -10.844 397 HG1 THR 54 HG1 THR 54 -1.400 4.892 -9.204 398 HG21 THR 54 HG21 THR 54 -3.380 8.252 -10.318 399 HG22 THR 54 HG22 THR 54 -1.691 8.340 -9.818 400 HG23 THR 54 HG23 THR 54 -2.934 7.900 -8.648 401 H ALA 55 H ALA 55 -2.852 5.174 -12.783 402 HA ALA 55 HA ALA 55 -3.791 7.382 -14.270 403 HB1 ALA 55 HB1 ALA 55 -1.916 6.251 -15.133 404 HB2 ALA 55 HB2 ALA 55 -2.737 4.691 -15.090 405 HB3 ALA 55 HB3 ALA 55 -3.228 5.914 -16.262 406 H ALA 56 H ALA 56 -5.100 4.161 -13.687 407 HA ALA 56 HA ALA 56 -7.241 4.302 -15.523 408 HB1 ALA 56 HB1 ALA 56 -8.177 2.707 -13.488 409 HB2 ALA 56 HB2 ALA 56 -7.215 2.166 -14.863 410 HB3 ALA 56 HB3 ALA 56 -6.425 2.557 -13.335 411 H VAL 57 H VAL 57 -6.999 5.167 -12.093 412 HA VAL 57 HA VAL 57 -9.692 6.041 -11.852 413 HB VAL 57 HB VAL 57 -7.306 6.855 -10.176 414 HG11 VAL 57 HG11 VAL 57 -9.634 8.131 -10.163 415 HG12 VAL 57 HG12 VAL 57 -10.075 6.787 -9.109 416 HG13 VAL 57 HG13 VAL 57 -8.722 7.834 -8.683 417 HG21 VAL 57 HG21 VAL 57 -7.452 4.926 -9.037 418 HG22 VAL 57 HG22 VAL 57 -9.216 4.927 -9.080 419 HG23 VAL 57 HG23 VAL 57 -8.301 4.328 -10.462 420 H ALA 58 H ALA 58 -6.621 7.672 -12.556 421 HA ALA 58 HA ALA 58 -7.643 10.297 -12.672 422 HB1 ALA 58 HB1 ALA 58 -5.176 9.313 -12.812 423 HB2 ALA 58 HB2 ALA 58 -5.466 9.534 -14.538 424 HB3 ALA 58 HB3 ALA 58 -5.590 10.909 -13.440 425 H GLY 59 H GLY 59 -7.298 7.770 -15.119 426 HA2 GLY 59 HA3 GLY 59 -8.409 9.346 -17.242 427 HA3 GLY 59 HA2 GLY 59 -8.063 7.623 -17.286 428 H LEU 60 H LEU 60 -9.765 7.578 -14.656 429 HA LEU 60 HA LEU 60 -12.258 6.957 -15.905 430 HB2 LEU 60 HB2 LEU 60 -11.045 6.568 -13.372 431 HB3 LEU 60 HB3 LEU 60 -12.582 7.363 -13.112 432 HG LEU 60 HG LEU 60 -13.788 5.576 -14.136 433 HD11 LEU 60 HD11 LEU 60 -11.102 4.467 -14.922 434 HD12 LEU 60 HD12 LEU 60 -12.634 3.610 -15.089 435 HD13 LEU 60 HD13 LEU 60 -12.348 5.090 -16.003 436 HD21 LEU 60 HD21 LEU 60 -12.952 5.256 -11.799 437 HD22 LEU 60 HD22 LEU 60 -13.296 3.759 -12.668 438 HD23 LEU 60 HD23 LEU 60 -11.629 4.300 -12.468 439 H GLY 61 H GLY 61 -10.854 9.860 -15.105 440 HA2 GLY 61 HA3 GLY 61 -11.939 11.931 -15.610 441 HA3 GLY 61 HA2 GLY 61 -13.470 11.203 -15.143 442 H TYR 62 H TYR 62 -11.181 10.252 -12.976 443 HA TYR 62 HA TYR 62 -11.792 12.481 -11.156 444 HB2 TYR 62 HB2 TYR 62 -11.449 9.570 -10.383 445 HB3 TYR 62 HB3 TYR 62 -11.920 10.895 -9.320 446 HD1 TYR 62 HD2 TYR 62 -14.136 12.056 -9.771 447 HD2 TYR 62 HD1 TYR 62 -13.057 8.372 -11.595 448 HE1 TYR 62 HE2 TYR 62 -16.506 11.610 -10.254 449 HE2 TYR 62 HE1 TYR 62 -15.421 7.911 -12.084 450 HH TYR 62 HH TYR 62 -17.688 8.638 -11.017 451 H LYS 63 H LYS 63 -10.102 11.617 -9.064 452 HA LYS 63 HA LYS 63 -7.458 11.646 -10.348 453 HB2 LYS 63 HB2 LYS 63 -8.510 13.926 -9.398 454 HB3 LYS 63 HB3 LYS 63 -7.827 13.298 -7.906 455 HG2 LYS 63 HG2 LYS 63 -5.645 13.373 -8.734 456 HG3 LYS 63 HG3 LYS 63 -6.192 13.510 -10.407 457 HD2 LYS 63 HD2 LYS 63 -7.035 15.642 -8.530 458 HD3 LYS 63 HD3 LYS 63 -5.335 15.611 -8.996 459 HE2 LYS 63 HE2 LYS 63 -7.613 15.558 -10.968 460 HE3 LYS 63 HE3 LYS 63 -6.815 17.040 -10.440 461 HZ1 LYS 63 HZ1 LYS 63 -5.380 14.762 -11.688 462 HZ2 LYS 63 HZ2 LYS 63 -4.772 16.313 -11.377 463 HZ3 LYS 63 HZ3 LYS 63 -5.964 16.091 -12.564 464 H ALA 64 H ALA 64 -5.804 10.703 -9.157 465 HA ALA 64 HA ALA 64 -6.326 9.851 -6.429 466 HB1 ALA 64 HB1 ALA 64 -7.202 7.939 -7.554 467 HB2 ALA 64 HB2 ALA 64 -5.830 7.880 -8.662 468 HB3 ALA 64 HB3 ALA 64 -5.604 7.496 -6.956 469 H THR 65 H THR 65 -4.328 8.911 -5.443 470 HA THR 65 HA THR 65 -1.844 9.235 -6.904 471 HB THR 65 HB THR 65 -1.484 10.504 -4.342 472 HG1 THR 65 HG1 THR 65 -3.377 11.691 -6.119 473 HG21 THR 65 HG21 THR 65 0.198 11.002 -5.792 474 HG22 THR 65 HG22 THR 65 -0.841 12.388 -6.122 475 HG23 THR 65 HG23 THR 65 -0.868 10.992 -7.198 476 H LEU 66 H LEU 66 -0.290 7.840 -6.195 477 HA LEU 66 HA LEU 66 -1.090 5.741 -4.461 478 HB2 LEU 66 HB2 LEU 66 0.405 5.254 -6.266 479 HB3 LEU 66 HB3 LEU 66 1.569 6.435 -5.699 480 HG LEU 66 HG LEU 66 1.701 4.925 -3.581 481 HD11 LEU 66 HD11 LEU 66 0.598 3.002 -3.578 482 HD12 LEU 66 HD12 LEU 66 -0.196 3.502 -5.072 483 HD13 LEU 66 HD13 LEU 66 1.290 2.554 -5.139 484 HD21 LEU 66 HD21 LEU 66 2.946 3.439 -5.761 485 HD22 LEU 66 HD22 LEU 66 3.214 5.181 -5.853 486 HD23 LEU 66 HD23 LEU 66 3.680 4.290 -4.403 487 H ALA 67 H ALA 67 -1.495 6.407 -2.410 488 HA ALA 67 HA ALA 67 0.590 7.790 -0.907 489 HB1 ALA 67 HB1 ALA 67 -1.394 7.445 0.889 490 HB2 ALA 67 HB2 ALA 67 -1.306 8.811 -0.225 491 HB3 ALA 67 HB3 ALA 67 -2.319 7.422 -0.612 492 H ASP 68 H ASP 68 1.183 5.168 -1.743 493 HA ASP 68 HA ASP 68 0.576 3.169 0.136 494 HB2 ASP 68 HB2 ASP 68 1.758 3.090 -2.248 495 HB3 ASP 68 HB3 ASP 68 3.201 3.097 -1.243 496 H ALA 69 H ALA 69 3.326 5.356 -0.156 497 HA ALA 69 HA ALA 69 3.899 4.865 2.693 498 HB1 ALA 69 HB1 ALA 69 6.258 5.480 2.182 499 HB2 ALA 69 HB2 ALA 69 5.732 3.990 1.399 500 HB3 ALA 69 HB3 ALA 69 5.845 5.484 0.468 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -2.385 -1.962 1.629 2 H2 MET 1 H2 MET 1 -1.611 -2.564 3.010 3 H3 MET 1 H3 MET 1 -2.104 -3.624 1.781 4 HA MET 1 HA MET 1 0.308 -2.169 2.048 5 HB2 MET 1 HB2 MET 1 -0.422 -4.654 1.263 6 HB3 MET 1 HB3 MET 1 -0.193 -3.898 -0.307 7 HG2 MET 1 HG2 MET 1 2.025 -3.180 1.265 8 HG3 MET 1 HG3 MET 1 1.753 -4.902 1.519 9 HE1 MET 1 HE1 MET 1 2.098 -6.428 -2.009 10 HE2 MET 1 HE2 MET 1 1.945 -6.728 -0.278 11 HE3 MET 1 HE3 MET 1 0.610 -5.994 -1.168 12 H THR 2 H THR 2 -0.424 -2.880 -1.213 13 HA THR 2 HA THR 2 0.047 -0.185 -2.014 14 HB THR 2 HB THR 2 -1.065 -2.372 -3.775 15 HG1 THR 2 HG1 THR 2 1.612 -1.910 -2.880 16 HG21 THR 2 HG21 THR 2 -0.473 -1.066 -5.520 17 HG22 THR 2 HG22 THR 2 0.995 -0.498 -4.723 18 HG23 THR 2 HG23 THR 2 -0.560 0.237 -4.332 19 H HIS 3 H HIS 3 -1.412 1.387 -1.861 20 HA HIS 3 HA HIS 3 -4.182 0.808 -2.606 21 HB2 HIS 3 HB2 HIS 3 -5.045 2.031 -0.669 22 HB3 HIS 3 HB3 HIS 3 -4.089 0.648 -0.157 23 HD1 HIS 3 HD1 HIS 3 -1.712 1.188 0.898 24 HD2 HIS 3 HD2 HIS 3 -4.159 4.488 0.224 25 HE1 HIS 3 HE1 HIS 3 -0.711 3.060 2.235 26 HE2 HIS 3 HE2 HIS 3 -2.085 5.088 1.663 27 H LEU 4 H LEU 4 -5.438 2.797 -3.013 28 HA LEU 4 HA LEU 4 -3.678 4.976 -3.911 29 HB2 LEU 4 HB2 LEU 4 -6.492 4.591 -4.844 30 HB3 LEU 4 HB3 LEU 4 -5.216 5.517 -5.598 31 HG LEU 4 HG LEU 4 -5.343 2.503 -5.465 32 HD11 LEU 4 HD11 LEU 4 -6.075 4.504 -7.569 33 HD12 LEU 4 HD12 LEU 4 -5.562 2.873 -8.005 34 HD13 LEU 4 HD13 LEU 4 -6.986 3.109 -6.991 35 HD21 LEU 4 HD21 LEU 4 -3.334 4.424 -6.606 36 HD22 LEU 4 HD22 LEU 4 -3.066 3.041 -5.546 37 HD23 LEU 4 HD23 LEU 4 -3.508 2.786 -7.235 38 H LYS 5 H LYS 5 -4.377 7.141 -3.565 39 HA LYS 5 HA LYS 5 -6.478 7.426 -1.522 40 HB2 LYS 5 HB2 LYS 5 -4.876 8.298 -0.214 41 HB3 LYS 5 HB3 LYS 5 -3.721 8.331 -1.534 42 HG2 LYS 5 HG2 LYS 5 -5.086 10.461 -2.245 43 HG3 LYS 5 HG3 LYS 5 -5.531 10.468 -0.538 44 HD2 LYS 5 HD2 LYS 5 -3.477 11.819 -1.205 45 HD3 LYS 5 HD3 LYS 5 -3.295 10.707 0.153 46 HE2 LYS 5 HE2 LYS 5 -1.996 9.232 -1.054 47 HE3 LYS 5 HE3 LYS 5 -2.647 9.766 -2.604 48 HZ1 LYS 5 HZ1 LYS 5 -0.363 10.489 -2.288 49 HZ2 LYS 5 HZ2 LYS 5 -0.798 11.330 -0.882 50 HZ3 LYS 5 HZ3 LYS 5 -1.409 11.823 -2.386 51 H ILE 6 H ILE 6 -8.150 8.634 -2.113 52 HA ILE 6 HA ILE 6 -8.151 9.717 -4.786 53 HB ILE 6 HB ILE 6 -10.067 8.416 -3.643 54 HG12 ILE 6 HG12 ILE 6 -11.730 10.203 -4.795 55 HG13 ILE 6 HG13 ILE 6 -10.195 10.769 -5.447 56 HG21 ILE 6 HG21 ILE 6 -11.164 11.029 -2.800 57 HG22 ILE 6 HG22 ILE 6 -11.439 9.414 -2.148 58 HG23 ILE 6 HG23 ILE 6 -9.958 10.286 -1.750 59 HD11 ILE 6 HD11 ILE 6 -9.841 8.276 -6.068 60 HD12 ILE 6 HD12 ILE 6 -11.591 8.172 -5.874 61 HD13 ILE 6 HD13 ILE 6 -10.900 9.287 -7.051 62 H THR 7 H THR 7 -8.636 11.834 -5.357 63 HA THR 7 HA THR 7 -8.607 13.850 -3.230 64 HB THR 7 HB THR 7 -7.190 14.866 -5.512 65 HG1 THR 7 HG1 THR 7 -6.619 12.278 -4.837 66 HG21 THR 7 HG21 THR 7 -5.549 14.457 -3.190 67 HG22 THR 7 HG22 THR 7 -7.149 15.016 -2.702 68 HG23 THR 7 HG23 THR 7 -6.197 15.963 -3.846 69 H GLY 8 H GLY 8 -9.445 12.869 -6.474 70 HA2 GLY 8 HA3 GLY 8 -10.888 15.330 -7.033 71 HA3 GLY 8 HA2 GLY 8 -10.763 13.926 -8.084 72 H MET 9 H MET 9 -11.820 14.185 -4.739 73 HA MET 9 HA MET 9 -13.801 13.857 -3.675 74 HB2 MET 9 HB2 MET 9 -14.680 14.772 -6.204 75 HB3 MET 9 HB3 MET 9 -15.641 13.362 -5.789 76 HG2 MET 9 HG2 MET 9 -16.778 15.297 -5.019 77 HG3 MET 9 HG3 MET 9 -16.185 14.391 -3.631 78 HE1 MET 9 HE1 MET 9 -16.065 16.296 -1.711 79 HE2 MET 9 HE2 MET 9 -14.777 15.110 -1.933 80 HE3 MET 9 HE3 MET 9 -14.377 16.798 -1.607 81 H THR 10 H THR 10 -14.798 12.085 -2.845 82 HA THR 10 HA THR 10 -16.179 10.497 -4.761 83 HB THR 10 HB THR 10 -15.364 8.605 -2.853 84 HG1 THR 10 HG1 THR 10 -13.192 10.143 -3.839 85 HG21 THR 10 HG21 THR 10 -15.904 8.076 -5.164 86 HG22 THR 10 HG22 THR 10 -14.287 7.483 -4.785 87 HG23 THR 10 HG23 THR 10 -14.486 8.965 -5.721 88 H CYS 11 H CYS 11 -16.807 8.687 -2.611 89 HA CYS 11 HA CYS 11 -17.061 9.107 -0.113 90 HB2 CYS 11 HB2 CYS 11 -19.004 10.422 0.530 91 HB3 CYS 11 HB3 CYS 11 -17.894 11.424 -0.376 92 H ASP 12 H ASP 12 -20.332 9.192 -0.645 93 HA ASP 12 HA ASP 12 -20.483 6.311 -0.763 94 HB2 ASP 12 HB2 ASP 12 -22.199 7.015 0.592 95 HB3 ASP 12 HB3 ASP 12 -22.373 8.554 -0.245 96 H SER 13 H SER 13 -21.267 5.116 -2.493 97 HA SER 13 HA SER 13 -21.902 4.554 -4.587 98 HB2 SER 13 HB2 SER 13 -22.690 7.456 -4.904 99 HB3 SER 13 HB3 SER 13 -23.164 6.133 -5.969 100 HG SER 13 HG SER 13 -23.937 6.628 -3.283 101 H CYS 14 H CYS 14 -20.290 7.769 -4.801 102 HA CYS 14 HA CYS 14 -19.034 7.249 -7.255 103 HB2 CYS 14 HB2 CYS 14 -17.810 8.996 -5.096 104 HB3 CYS 14 HB3 CYS 14 -17.659 9.156 -6.841 105 H ALA 15 H ALA 15 -17.942 6.643 -3.923 106 HA ALA 15 HA ALA 15 -15.535 5.320 -4.785 107 HB1 ALA 15 HB1 ALA 15 -15.008 5.069 -2.563 108 HB2 ALA 15 HB2 ALA 15 -16.059 6.484 -2.504 109 HB3 ALA 15 HB3 ALA 15 -16.693 4.897 -2.070 110 H ALA 16 H ALA 16 -17.269 4.162 -6.284 111 HA ALA 16 HA ALA 16 -17.229 1.403 -5.494 112 HB1 ALA 16 HB1 ALA 16 -19.336 1.150 -4.795 113 HB2 ALA 16 HB2 ALA 16 -19.602 2.885 -4.968 114 HB3 ALA 16 HB3 ALA 16 -19.928 1.804 -6.322 115 H HIS 17 H HIS 17 -18.480 3.859 -7.727 116 HA HIS 17 HA HIS 17 -18.263 2.313 -10.069 117 HB2 HIS 17 HB2 HIS 17 -19.252 4.730 -9.631 118 HB3 HIS 17 HB3 HIS 17 -17.640 5.231 -10.117 119 HD1 HIS 17 HD1 HIS 17 -20.743 5.091 -11.573 120 HD2 HIS 17 HD2 HIS 17 -17.080 3.475 -12.702 121 HE1 HIS 17 HE1 HIS 17 -20.916 4.674 -14.047 122 HE2 HIS 17 HE2 HIS 17 -18.772 3.500 -14.663 123 H VAL 18 H VAL 18 -15.986 4.180 -8.200 124 HA VAL 18 HA VAL 18 -13.732 3.938 -9.877 125 HB VAL 18 HB VAL 18 -13.735 4.067 -6.848 126 HG11 VAL 18 HG11 VAL 18 -11.616 3.541 -8.369 127 HG12 VAL 18 HG12 VAL 18 -11.613 5.298 -8.509 128 HG13 VAL 18 HG13 VAL 18 -11.513 4.540 -6.920 129 HG21 VAL 18 HG21 VAL 18 -13.733 6.314 -8.859 130 HG22 VAL 18 HG22 VAL 18 -15.049 5.899 -7.760 131 HG23 VAL 18 HG23 VAL 18 -13.517 6.493 -7.117 132 H LYS 19 H LYS 19 -15.066 1.924 -7.303 133 HA LYS 19 HA LYS 19 -13.069 -0.052 -7.256 134 HB2 LYS 19 HB2 LYS 19 -14.476 -0.261 -5.445 135 HB3 LYS 19 HB3 LYS 19 -15.906 0.146 -6.373 136 HG2 LYS 19 HG2 LYS 19 -16.328 -1.990 -6.902 137 HG3 LYS 19 HG3 LYS 19 -14.625 -2.416 -7.044 138 HD2 LYS 19 HD2 LYS 19 -14.398 -2.763 -4.752 139 HD3 LYS 19 HD3 LYS 19 -15.853 -1.836 -4.376 140 HE2 LYS 19 HE2 LYS 19 -17.022 -3.718 -4.356 141 HE3 LYS 19 HE3 LYS 19 -16.646 -3.949 -6.062 142 HZ1 LYS 19 HZ1 LYS 19 -15.990 -5.864 -4.766 143 HZ2 LYS 19 HZ2 LYS 19 -15.013 -4.903 -3.775 144 HZ3 LYS 19 HZ3 LYS 19 -14.616 -5.106 -5.415 145 H GLU 20 H GLU 20 -16.040 0.306 -9.158 146 HA GLU 20 HA GLU 20 -15.886 -2.143 -10.528 147 HB2 GLU 20 HB2 GLU 20 -17.893 -0.699 -10.555 148 HB3 GLU 20 HB3 GLU 20 -17.024 0.474 -11.537 149 HG2 GLU 20 HG2 GLU 20 -16.679 -1.533 -13.153 150 HG3 GLU 20 HG3 GLU 20 -18.041 -2.232 -12.282 151 H ALA 21 H ALA 21 -14.659 1.080 -11.389 152 HA ALA 21 HA ALA 21 -13.454 0.397 -13.820 153 HB1 ALA 21 HB1 ALA 21 -13.669 2.695 -13.292 154 HB2 ALA 21 HB2 ALA 21 -12.777 2.506 -11.781 155 HB3 ALA 21 HB3 ALA 21 -11.937 2.362 -13.324 156 H LEU 22 H LEU 22 -12.221 0.259 -10.517 157 HA LEU 22 HA LEU 22 -9.580 -0.498 -11.145 158 HB2 LEU 22 HB2 LEU 22 -11.259 -0.291 -8.769 159 HB3 LEU 22 HB3 LEU 22 -10.106 -1.604 -8.666 160 HG LEU 22 HG LEU 22 -8.350 -0.216 -8.401 161 HD11 LEU 22 HD11 LEU 22 -7.737 1.340 -9.884 162 HD12 LEU 22 HD12 LEU 22 -9.142 0.798 -10.802 163 HD13 LEU 22 HD13 LEU 22 -9.267 2.208 -9.750 164 HD21 LEU 22 HD21 LEU 22 -9.500 0.635 -6.615 165 HD22 LEU 22 HD22 LEU 22 -9.176 2.111 -7.521 166 HD23 LEU 22 HD23 LEU 22 -10.760 1.347 -7.621 167 H GLU 23 H GLU 23 -12.381 -2.462 -10.145 168 HA GLU 23 HA GLU 23 -10.937 -4.916 -10.404 169 HB2 GLU 23 HB2 GLU 23 -13.671 -4.098 -9.633 170 HB3 GLU 23 HB3 GLU 23 -13.512 -5.719 -10.296 171 HG2 GLU 23 HG2 GLU 23 -12.222 -6.457 -8.554 172 HG3 GLU 23 HG3 GLU 23 -11.628 -4.847 -8.163 173 H LYS 24 H LYS 24 -12.526 -2.894 -12.627 174 HA LYS 24 HA LYS 24 -13.151 -4.890 -14.577 175 HB2 LYS 24 HB2 LYS 24 -13.231 -1.985 -14.399 176 HB3 LYS 24 HB3 LYS 24 -12.655 -2.528 -15.967 177 HG2 LYS 24 HG2 LYS 24 -14.655 -3.886 -16.252 178 HG3 LYS 24 HG3 LYS 24 -15.234 -3.373 -14.666 179 HD2 LYS 24 HD2 LYS 24 -15.430 -1.103 -15.392 180 HD3 LYS 24 HD3 LYS 24 -14.610 -1.464 -16.912 181 HE2 LYS 24 HE2 LYS 24 -17.069 -3.005 -16.286 182 HE3 LYS 24 HE3 LYS 24 -17.263 -1.305 -16.714 183 HZ1 LYS 24 HZ1 LYS 24 -16.414 -1.648 -18.817 184 HZ2 LYS 24 HZ2 LYS 24 -17.294 -3.075 -18.562 185 HZ3 LYS 24 HZ3 LYS 24 -15.606 -3.075 -18.387 186 H VAL 25 H VAL 25 -10.323 -3.151 -13.620 187 HA VAL 25 HA VAL 25 -8.771 -3.781 -15.962 188 HB VAL 25 HB VAL 25 -7.906 -2.783 -13.233 189 HG11 VAL 25 HG11 VAL 25 -6.126 -3.970 -14.520 190 HG12 VAL 25 HG12 VAL 25 -6.325 -2.772 -15.798 191 HG13 VAL 25 HG13 VAL 25 -5.779 -2.271 -14.199 192 HG21 VAL 25 HG21 VAL 25 -9.062 -0.991 -14.037 193 HG22 VAL 25 HG22 VAL 25 -7.503 -0.690 -14.806 194 HG23 VAL 25 HG23 VAL 25 -8.807 -1.440 -15.724 195 HA PRO 26 HA PRO 26 -7.825 -7.926 -14.569 196 HB2 PRO 26 HB2 PRO 26 -5.917 -8.445 -16.453 197 HB3 PRO 26 HB3 PRO 26 -7.650 -8.555 -16.773 198 HG2 PRO 26 HG2 PRO 26 -5.736 -6.355 -17.427 199 HG3 PRO 26 HG3 PRO 26 -7.066 -7.012 -18.399 200 HD2 PRO 26 HD2 PRO 26 -7.270 -4.691 -17.012 201 HD3 PRO 26 HD3 PRO 26 -8.655 -5.764 -17.298 202 H GLY 27 H GLY 27 -6.128 -8.926 -13.444 203 HA2 GLY 27 HA3 GLY 27 -4.000 -8.995 -12.420 204 HA3 GLY 27 HA2 GLY 27 -3.696 -7.356 -12.986 205 H VAL 28 H VAL 28 -6.646 -8.298 -11.427 206 HA VAL 28 HA VAL 28 -5.876 -7.037 -8.899 207 HB VAL 28 HB VAL 28 -8.408 -6.278 -10.373 208 HG11 VAL 28 HG11 VAL 28 -7.712 -4.352 -8.450 209 HG12 VAL 28 HG12 VAL 28 -9.068 -5.479 -8.413 210 HG13 VAL 28 HG13 VAL 28 -7.531 -5.924 -7.673 211 HG21 VAL 28 HG21 VAL 28 -5.729 -5.210 -10.656 212 HG22 VAL 28 HG22 VAL 28 -7.175 -4.910 -11.622 213 HG23 VAL 28 HG23 VAL 28 -6.889 -3.981 -10.151 214 H GLN 29 H GLN 29 -7.544 -7.525 -7.191 215 HA GLN 29 HA GLN 29 -9.045 -9.973 -7.829 216 HB2 GLN 29 HB2 GLN 29 -7.393 -9.580 -5.325 217 HB3 GLN 29 HB3 GLN 29 -8.311 -11.015 -5.760 218 HG2 GLN 29 HG2 GLN 29 -6.132 -10.031 -7.548 219 HG3 GLN 29 HG3 GLN 29 -5.748 -10.973 -6.105 220 HE21 GLN 29 HE21 GLN 29 -7.665 -10.998 -9.061 221 HE22 GLN 29 HE22 GLN 29 -7.652 -12.719 -9.271 222 H SER 30 H SER 30 -8.550 -7.381 -5.419 223 HA SER 30 HA SER 30 -11.419 -7.050 -5.232 224 HB2 SER 30 HB2 SER 30 -9.824 -7.831 -2.776 225 HB3 SER 30 HB3 SER 30 -11.512 -7.326 -2.785 226 HG SER 30 HG SER 30 -11.200 -9.296 -4.561 227 H ALA 31 H ALA 31 -11.921 -4.964 -4.934 228 HA ALA 31 HA ALA 31 -9.810 -3.153 -3.961 229 HB1 ALA 31 HB1 ALA 31 -10.921 -2.709 -6.174 230 HB2 ALA 31 HB2 ALA 31 -12.408 -2.381 -5.284 231 HB3 ALA 31 HB3 ALA 31 -10.984 -1.374 -5.025 232 H LEU 32 H LEU 32 -9.935 -2.364 -1.970 233 HA LEU 32 HA LEU 32 -12.498 -2.556 -0.524 234 HB2 LEU 32 HB2 LEU 32 -9.753 -2.467 0.716 235 HB3 LEU 32 HB3 LEU 32 -11.270 -2.857 1.504 236 HG LEU 32 HG LEU 32 -10.807 -4.696 -0.656 237 HD11 LEU 32 HD11 LEU 32 -8.772 -5.320 1.310 238 HD12 LEU 32 HD12 LEU 32 -8.688 -5.343 -0.451 239 HD13 LEU 32 HD13 LEU 32 -8.412 -3.838 0.426 240 HD21 LEU 32 HD21 LEU 32 -10.710 -6.209 1.516 241 HD22 LEU 32 HD22 LEU 32 -11.340 -4.742 2.263 242 HD23 LEU 32 HD23 LEU 32 -12.219 -5.504 0.937 243 H VAL 33 H VAL 33 -13.242 -0.538 -1.094 244 HA VAL 33 HA VAL 33 -11.538 1.781 -0.752 245 HB VAL 33 HB VAL 33 -13.767 2.949 -1.493 246 HG11 VAL 33 HG11 VAL 33 -13.020 1.691 -3.883 247 HG12 VAL 33 HG12 VAL 33 -12.445 3.235 -3.250 248 HG13 VAL 33 HG13 VAL 33 -11.568 1.749 -2.884 249 HG21 VAL 33 HG21 VAL 33 -15.503 1.605 -1.855 250 HG22 VAL 33 HG22 VAL 33 -14.590 0.837 -3.154 251 HG23 VAL 33 HG23 VAL 33 -14.515 0.183 -1.518 252 H SER 34 H SER 34 -11.603 3.187 0.870 253 HA SER 34 HA SER 34 -13.740 2.966 2.869 254 HB2 SER 34 HB2 SER 34 -11.769 4.845 3.677 255 HB3 SER 34 HB3 SER 34 -12.064 3.239 4.347 256 HG SER 34 HG SER 34 -10.265 2.620 3.475 257 H TYR 35 H TYR 35 -15.378 4.087 1.946 258 HA TYR 35 HA TYR 35 -15.087 6.172 0.137 259 HB2 TYR 35 HB2 TYR 35 -17.654 6.182 1.564 260 HB3 TYR 35 HB3 TYR 35 -17.297 6.005 -0.145 261 HD1 TYR 35 HD2 TYR 35 -17.683 4.204 3.026 262 HD2 TYR 35 HD1 TYR 35 -17.071 3.828 -1.166 263 HE1 TYR 35 HE2 TYR 35 -18.191 1.805 3.174 264 HE2 TYR 35 HE1 TYR 35 -17.579 1.425 -1.028 265 HH TYR 35 HH TYR 35 -18.454 -0.092 2.078 266 HA PRO 36 HA PRO 36 -16.249 9.396 3.487 267 HB2 PRO 36 HB2 PRO 36 -15.813 8.135 6.095 268 HB3 PRO 36 HB3 PRO 36 -17.226 9.005 5.493 269 HG2 PRO 36 HG2 PRO 36 -17.254 6.342 5.894 270 HG3 PRO 36 HG3 PRO 36 -18.176 7.111 4.589 271 HD2 PRO 36 HD2 PRO 36 -15.538 5.688 4.463 272 HD3 PRO 36 HD3 PRO 36 -16.930 5.575 3.363 273 H LYS 37 H LYS 37 -13.619 7.207 3.808 274 HA LYS 37 HA LYS 37 -11.948 9.157 5.195 275 HB2 LYS 37 HB2 LYS 37 -12.019 6.436 5.339 276 HB3 LYS 37 HB3 LYS 37 -10.707 6.676 4.195 277 HG2 LYS 37 HG2 LYS 37 -10.317 8.490 6.336 278 HG3 LYS 37 HG3 LYS 37 -10.664 6.902 7.024 279 HD2 LYS 37 HD2 LYS 37 -8.491 6.484 6.691 280 HD3 LYS 37 HD3 LYS 37 -8.941 6.282 4.995 281 HE2 LYS 37 HE2 LYS 37 -7.384 7.856 4.622 282 HE3 LYS 37 HE3 LYS 37 -8.630 8.982 5.157 283 HZ1 LYS 37 HZ1 LYS 37 -6.344 9.136 6.243 284 HZ2 LYS 37 HZ2 LYS 37 -6.772 7.726 7.082 285 HZ3 LYS 37 HZ3 LYS 37 -7.699 9.136 7.266 286 H GLY 38 H GLY 38 -12.480 7.816 2.031 287 HA2 GLY 38 HA3 GLY 38 -11.850 8.769 0.004 288 HA3 GLY 38 HA2 GLY 38 -10.800 9.878 0.876 289 H THR 39 H THR 39 -10.741 6.392 1.263 290 HA THR 39 HA THR 39 -8.131 6.355 -0.103 291 HB THR 39 HB THR 39 -7.997 4.285 1.713 292 HG1 THR 39 HG1 THR 39 -9.610 4.852 3.043 293 HG21 THR 39 HG21 THR 39 -6.932 6.813 2.734 294 HG22 THR 39 HG22 THR 39 -6.529 6.501 1.046 295 HG23 THR 39 HG23 THR 39 -6.092 5.328 2.288 296 H ALA 40 H ALA 40 -7.589 4.447 -1.214 297 HA ALA 40 HA ALA 40 -9.773 2.496 -1.535 298 HB1 ALA 40 HB1 ALA 40 -9.098 4.315 -3.453 299 HB2 ALA 40 HB2 ALA 40 -8.110 2.926 -3.908 300 HB3 ALA 40 HB3 ALA 40 -9.859 2.754 -3.764 301 H GLN 41 H GLN 41 -8.781 0.972 -0.218 302 HA GLN 41 HA GLN 41 -6.061 0.146 -0.636 303 HB2 GLN 41 HB2 GLN 41 -8.206 -0.446 1.217 304 HB3 GLN 41 HB3 GLN 41 -7.450 -1.928 0.653 305 HG2 GLN 41 HG2 GLN 41 -5.755 0.330 1.608 306 HG3 GLN 41 HG3 GLN 41 -6.552 -0.735 2.768 307 HE21 GLN 41 HE21 GLN 41 -6.195 -3.089 2.396 308 HE22 GLN 41 HE22 GLN 41 -4.615 -3.589 1.891 309 H LEU 42 H LEU 42 -5.330 -1.439 -2.003 310 HA LEU 42 HA LEU 42 -7.413 -2.769 -3.603 311 HB2 LEU 42 HB2 LEU 42 -5.142 -1.087 -4.417 312 HB3 LEU 42 HB3 LEU 42 -5.337 -2.564 -5.342 313 HG LEU 42 HG LEU 42 -7.652 -0.700 -4.917 314 HD11 LEU 42 HD11 LEU 42 -5.326 0.149 -6.079 315 HD12 LEU 42 HD12 LEU 42 -6.253 -0.437 -7.461 316 HD13 LEU 42 HD13 LEU 42 -6.933 0.798 -6.402 317 HD21 LEU 42 HD21 LEU 42 -8.267 -1.685 -7.160 318 HD22 LEU 42 HD22 LEU 42 -6.942 -2.825 -6.926 319 HD23 LEU 42 HD23 LEU 42 -8.296 -2.801 -5.793 320 H ALA 43 H ALA 43 -7.322 -4.879 -3.463 321 HA ALA 43 HA ALA 43 -4.803 -6.230 -2.904 322 HB1 ALA 43 HB1 ALA 43 -6.947 -8.045 -3.468 323 HB2 ALA 43 HB2 ALA 43 -6.093 -7.779 -1.948 324 HB3 ALA 43 HB3 ALA 43 -7.511 -6.808 -2.345 325 H ILE 44 H ILE 44 -3.917 -5.422 -4.896 326 HA ILE 44 HA ILE 44 -4.969 -6.519 -7.375 327 HB ILE 44 HB ILE 44 -2.880 -5.318 -8.328 328 HG12 ILE 44 HG12 ILE 44 -3.063 -3.600 -5.890 329 HG13 ILE 44 HG13 ILE 44 -2.080 -5.059 -5.810 330 HG21 ILE 44 HG21 ILE 44 -4.804 -3.389 -7.120 331 HG22 ILE 44 HG22 ILE 44 -4.156 -3.452 -8.760 332 HG23 ILE 44 HG23 ILE 44 -5.395 -4.602 -8.253 333 HD11 ILE 44 HD11 ILE 44 -1.493 -2.516 -7.011 334 HD12 ILE 44 HD12 ILE 44 -0.425 -3.882 -6.683 335 HD13 ILE 44 HD13 ILE 44 -1.342 -3.820 -8.189 336 H VAL 45 H VAL 45 -3.390 -7.527 -8.897 337 HA VAL 45 HA VAL 45 -2.096 -9.724 -7.594 338 HB VAL 45 HB VAL 45 -3.016 -9.114 -10.249 339 HG11 VAL 45 HG11 VAL 45 -0.376 -10.545 -10.303 340 HG12 VAL 45 HG12 VAL 45 -1.341 -9.960 -11.658 341 HG13 VAL 45 HG13 VAL 45 -0.508 -8.813 -10.608 342 HG21 VAL 45 HG21 VAL 45 -2.238 -11.582 -8.740 343 HG22 VAL 45 HG22 VAL 45 -3.849 -11.007 -9.168 344 HG23 VAL 45 HG23 VAL 45 -2.783 -11.655 -10.416 345 HA PRO 46 HA PRO 46 1.966 -7.941 -7.138 346 HB2 PRO 46 HB2 PRO 46 2.934 -10.706 -7.573 347 HB3 PRO 46 HB3 PRO 46 3.197 -9.627 -6.199 348 HG2 PRO 46 HG2 PRO 46 1.545 -11.720 -6.006 349 HG3 PRO 46 HG3 PRO 46 1.174 -10.178 -5.208 350 HD2 PRO 46 HD2 PRO 46 0.064 -11.319 -7.744 351 HD3 PRO 46 HD3 PRO 46 -0.772 -10.442 -6.446 352 H GLY 47 H GLY 47 2.190 -6.774 -9.015 353 HA2 GLY 47 HA3 GLY 47 4.092 -7.150 -10.824 354 HA3 GLY 47 HA2 GLY 47 2.822 -8.163 -11.500 355 H THR 48 H THR 48 0.609 -6.565 -10.763 356 HA THR 48 HA THR 48 0.569 -4.701 -12.890 357 HB THR 48 HB THR 48 -1.435 -4.286 -10.783 358 HG1 THR 48 HG1 THR 48 -2.363 -6.345 -11.001 359 HG21 THR 48 HG21 THR 48 -2.962 -4.383 -12.597 360 HG22 THR 48 HG22 THR 48 -1.808 -5.239 -13.620 361 HG23 THR 48 HG23 THR 48 -1.535 -3.545 -13.207 362 H SER 49 H SER 49 1.200 -2.686 -12.989 363 HA SER 49 HA SER 49 2.407 -1.439 -10.750 364 HB2 SER 49 HB2 SER 49 1.963 0.446 -12.837 365 HB3 SER 49 HB3 SER 49 3.468 -0.377 -12.414 366 HG SER 49 HG SER 49 2.101 -0.678 -14.610 367 HA PRO 50 HA PRO 50 -1.247 0.448 -9.063 368 HB2 PRO 50 HB2 PRO 50 0.026 2.452 -7.668 369 HB3 PRO 50 HB3 PRO 50 -0.167 0.798 -7.082 370 HG2 PRO 50 HG2 PRO 50 2.188 2.081 -8.396 371 HG3 PRO 50 HG3 PRO 50 2.145 0.947 -7.035 372 HD2 PRO 50 HD2 PRO 50 2.795 0.155 -9.518 373 HD3 PRO 50 HD3 PRO 50 1.876 -0.892 -8.416 374 H ASP 51 H ASP 51 1.220 2.226 -10.783 375 HA ASP 51 HA ASP 51 -0.200 4.638 -11.123 376 HB2 ASP 51 HB2 ASP 51 1.581 5.310 -12.363 377 HB3 ASP 51 HB3 ASP 51 2.330 3.876 -11.672 378 H ALA 52 H ALA 52 -0.531 1.534 -12.569 379 HA ALA 52 HA ALA 52 -1.856 2.425 -14.963 380 HB1 ALA 52 HB1 ALA 52 -2.600 -0.060 -14.975 381 HB2 ALA 52 HB2 ALA 52 -0.894 0.319 -15.210 382 HB3 ALA 52 HB3 ALA 52 -1.467 -0.236 -13.636 383 H LEU 53 H LEU 53 -2.783 1.386 -11.758 384 HA LEU 53 HA LEU 53 -5.591 1.301 -12.264 385 HB2 LEU 53 HB2 LEU 53 -4.030 1.408 -9.701 386 HB3 LEU 53 HB3 LEU 53 -5.766 1.209 -9.777 387 HG LEU 53 HG LEU 53 -4.491 -0.772 -11.420 388 HD11 LEU 53 HD11 LEU 53 -3.738 -1.774 -8.936 389 HD12 LEU 53 HD12 LEU 53 -2.679 -1.296 -10.263 390 HD13 LEU 53 HD13 LEU 53 -3.080 -0.138 -8.995 391 HD21 LEU 53 HD21 LEU 53 -5.806 -2.289 -10.073 392 HD22 LEU 53 HD22 LEU 53 -6.090 -1.021 -8.879 393 HD23 LEU 53 HD23 LEU 53 -6.765 -0.872 -10.500 394 H THR 54 H THR 54 -3.351 3.547 -10.734 395 HA THR 54 HA THR 54 -5.160 5.574 -10.077 396 HB THR 54 HB THR 54 -2.235 5.727 -10.821 397 HG1 THR 54 HG1 THR 54 -3.663 5.132 -8.516 398 HG21 THR 54 HG21 THR 54 -3.929 7.808 -9.436 399 HG22 THR 54 HG22 THR 54 -3.314 7.924 -11.085 400 HG23 THR 54 HG23 THR 54 -2.193 7.898 -9.725 401 H ALA 55 H ALA 55 -3.356 4.930 -13.053 402 HA ALA 55 HA ALA 55 -4.205 7.236 -14.456 403 HB1 ALA 55 HB1 ALA 55 -2.407 6.304 -15.506 404 HB2 ALA 55 HB2 ALA 55 -2.950 4.650 -15.220 405 HB3 ALA 55 HB3 ALA 55 -3.702 5.620 -16.486 406 H ALA 56 H ALA 56 -5.523 3.977 -14.117 407 HA ALA 56 HA ALA 56 -7.611 4.233 -15.995 408 HB1 ALA 56 HB1 ALA 56 -7.877 2.594 -13.503 409 HB2 ALA 56 HB2 ALA 56 -8.467 2.251 -15.128 410 HB3 ALA 56 HB3 ALA 56 -6.743 2.132 -14.772 411 H VAL 57 H VAL 57 -7.411 4.977 -12.558 412 HA VAL 57 HA VAL 57 -10.111 5.812 -12.249 413 HB VAL 57 HB VAL 57 -7.634 6.417 -10.621 414 HG11 VAL 57 HG11 VAL 57 -8.866 8.149 -9.854 415 HG12 VAL 57 HG12 VAL 57 -10.395 7.441 -10.378 416 HG13 VAL 57 HG13 VAL 57 -9.626 6.882 -8.891 417 HG21 VAL 57 HG21 VAL 57 -8.490 4.060 -10.726 418 HG22 VAL 57 HG22 VAL 57 -8.418 4.764 -9.110 419 HG23 VAL 57 HG23 VAL 57 -9.965 4.636 -9.950 420 H ALA 58 H ALA 58 -7.051 7.525 -12.819 421 HA ALA 58 HA ALA 58 -8.082 10.139 -12.790 422 HB1 ALA 58 HB1 ALA 58 -6.032 10.822 -13.602 423 HB2 ALA 58 HB2 ALA 58 -5.630 9.277 -12.851 424 HB3 ALA 58 HB3 ALA 58 -5.830 9.380 -14.600 425 H GLY 59 H GLY 59 -7.745 7.775 -15.389 426 HA2 GLY 59 HA3 GLY 59 -8.781 9.547 -17.403 427 HA3 GLY 59 HA2 GLY 59 -8.432 7.837 -17.593 428 H LEU 60 H LEU 60 -10.174 7.449 -15.063 429 HA LEU 60 HA LEU 60 -12.597 6.886 -16.474 430 HB2 LEU 60 HB2 LEU 60 -11.423 6.071 -14.089 431 HB3 LEU 60 HB3 LEU 60 -12.883 6.904 -13.613 432 HG LEU 60 HG LEU 60 -13.056 4.406 -13.941 433 HD11 LEU 60 HD11 LEU 60 -15.219 4.785 -15.422 434 HD12 LEU 60 HD12 LEU 60 -15.123 5.326 -13.745 435 HD13 LEU 60 HD13 LEU 60 -14.855 6.472 -15.059 436 HD21 LEU 60 HD21 LEU 60 -11.794 4.817 -16.281 437 HD22 LEU 60 HD22 LEU 60 -12.829 3.426 -15.956 438 HD23 LEU 60 HD23 LEU 60 -13.473 4.820 -16.824 439 H GLY 61 H GLY 61 -11.579 9.402 -14.214 440 HA2 GLY 61 HA3 GLY 61 -12.870 11.538 -14.949 441 HA3 GLY 61 HA2 GLY 61 -14.254 10.609 -14.396 442 H TYR 62 H TYR 62 -11.659 9.780 -12.512 443 HA TYR 62 HA TYR 62 -12.239 11.905 -10.559 444 HB2 TYR 62 HB2 TYR 62 -11.303 9.335 -9.458 445 HB3 TYR 62 HB3 TYR 62 -12.558 10.421 -8.873 446 HD1 TYR 62 HD2 TYR 62 -14.864 10.188 -9.648 447 HD2 TYR 62 HD1 TYR 62 -11.830 7.503 -10.948 448 HE1 TYR 62 HE2 TYR 62 -16.591 8.636 -10.455 449 HE2 TYR 62 HE1 TYR 62 -13.551 5.947 -11.763 450 HH TYR 62 HH TYR 62 -15.931 5.432 -11.317 451 H LYS 63 H LYS 63 -10.412 12.078 -8.911 452 HA LYS 63 HA LYS 63 -7.846 11.595 -10.267 453 HB2 LYS 63 HB2 LYS 63 -8.856 14.059 -9.801 454 HB3 LYS 63 HB3 LYS 63 -7.976 13.798 -8.300 455 HG2 LYS 63 HG2 LYS 63 -6.154 13.002 -10.168 456 HG3 LYS 63 HG3 LYS 63 -6.976 14.327 -10.994 457 HD2 LYS 63 HD2 LYS 63 -6.042 14.639 -8.167 458 HD3 LYS 63 HD3 LYS 63 -4.915 14.838 -9.509 459 HE2 LYS 63 HE2 LYS 63 -7.518 16.330 -9.256 460 HE3 LYS 63 HE3 LYS 63 -5.966 16.955 -8.702 461 HZ1 LYS 63 HZ1 LYS 63 -7.048 16.904 -11.332 462 HZ2 LYS 63 HZ2 LYS 63 -5.534 16.140 -11.291 463 HZ3 LYS 63 HZ3 LYS 63 -5.695 17.735 -10.743 464 H ALA 64 H ALA 64 -6.459 10.375 -9.198 465 HA ALA 64 HA ALA 64 -6.524 10.314 -6.272 466 HB1 ALA 64 HB1 ALA 64 -6.754 7.996 -6.089 467 HB2 ALA 64 HB2 ALA 64 -7.927 8.425 -7.334 468 HB3 ALA 64 HB3 ALA 64 -6.373 7.728 -7.793 469 H THR 65 H THR 65 -4.583 9.471 -5.336 470 HA THR 65 HA THR 65 -2.320 9.291 -7.213 471 HB THR 65 HB THR 65 -1.206 9.990 -4.777 472 HG1 THR 65 HG1 THR 65 -2.977 12.062 -4.976 473 HG21 THR 65 HG21 THR 65 -1.482 11.081 -7.411 474 HG22 THR 65 HG22 THR 65 -0.184 11.319 -6.243 475 HG23 THR 65 HG23 THR 65 -1.591 12.382 -6.225 476 H LEU 66 H LEU 66 -0.933 7.586 -6.934 477 HA LEU 66 HA LEU 66 -1.911 5.416 -5.356 478 HB2 LEU 66 HB2 LEU 66 -0.281 4.047 -6.391 479 HB3 LEU 66 HB3 LEU 66 -0.947 5.097 -7.614 480 HG LEU 66 HG LEU 66 1.283 5.024 -8.173 481 HD11 LEU 66 HD11 LEU 66 1.655 7.341 -6.359 482 HD12 LEU 66 HD12 LEU 66 2.071 7.149 -8.063 483 HD13 LEU 66 HD13 LEU 66 0.393 7.412 -7.589 484 HD21 LEU 66 HD21 LEU 66 2.303 3.786 -6.522 485 HD22 LEU 66 HD22 LEU 66 3.102 5.352 -6.379 486 HD23 LEU 66 HD23 LEU 66 1.829 4.902 -5.243 487 H ALA 67 H ALA 67 -0.983 4.391 -3.639 488 HA ALA 67 HA ALA 67 1.361 5.580 -2.386 489 HB1 ALA 67 HB1 ALA 67 0.278 5.886 -0.251 490 HB2 ALA 67 HB2 ALA 67 -0.593 6.803 -1.479 491 HB3 ALA 67 HB3 ALA 67 -1.246 5.274 -0.895 492 H ASP 68 H ASP 68 2.570 3.803 -2.451 493 HA ASP 68 HA ASP 68 1.470 1.179 -1.935 494 HB2 ASP 68 HB2 ASP 68 3.306 1.807 -3.642 495 HB3 ASP 68 HB3 ASP 68 4.377 1.808 -2.251 496 H ALA 69 H ALA 69 2.004 -0.147 -0.235 497 HA ALA 69 HA ALA 69 2.565 -0.790 1.858 498 HB1 ALA 69 HB1 ALA 69 4.651 -0.328 2.424 499 HB2 ALA 69 HB2 ALA 69 4.690 0.917 1.175 500 HB3 ALA 69 HB3 ALA 69 4.212 1.335 2.819 Start of MODEL 19 1 H1 MET 1 H1 MET 1 3.606 0.080 -2.952 2 H2 MET 1 H2 MET 1 4.476 -0.903 -1.877 3 H3 MET 1 H3 MET 1 4.278 0.751 -1.544 4 HA MET 1 HA MET 1 2.556 -1.449 -0.971 5 HB2 MET 1 HB2 MET 1 3.002 1.363 -0.067 6 HB3 MET 1 HB3 MET 1 1.478 0.591 0.343 7 HG2 MET 1 HG2 MET 1 3.456 0.471 2.000 8 HG3 MET 1 HG3 MET 1 2.466 -0.957 1.719 9 HE1 MET 1 HE1 MET 1 6.273 0.526 0.619 10 HE2 MET 1 HE2 MET 1 5.562 0.476 2.230 11 HE3 MET 1 HE3 MET 1 6.778 -0.716 1.766 12 H THR 2 H THR 2 0.361 -1.652 -1.368 13 HA THR 2 HA THR 2 -0.469 -0.292 -3.813 14 HB THR 2 HB THR 2 -2.339 -2.288 -2.889 15 HG1 THR 2 HG1 THR 2 0.435 -2.951 -2.915 16 HG21 THR 2 HG21 THR 2 -0.673 -2.991 -5.163 17 HG22 THR 2 HG22 THR 2 -1.281 -1.340 -5.273 18 HG23 THR 2 HG23 THR 2 -2.407 -2.684 -5.092 19 H HIS 3 H HIS 3 -0.552 1.209 -1.383 20 HA HIS 3 HA HIS 3 -3.448 1.510 -0.972 21 HB2 HIS 3 HB2 HIS 3 -1.553 1.293 0.935 22 HB3 HIS 3 HB3 HIS 3 -1.533 3.037 0.707 23 HD1 HIS 3 HD1 HIS 3 -2.667 3.754 2.829 24 HD2 HIS 3 HD2 HIS 3 -4.828 0.878 0.740 25 HE1 HIS 3 HE1 HIS 3 -4.886 3.579 4.005 26 HE2 HIS 3 HE2 HIS 3 -6.238 1.962 2.626 27 H LEU 4 H LEU 4 -4.377 3.081 -2.125 28 HA LEU 4 HA LEU 4 -2.715 5.409 -2.831 29 HB2 LEU 4 HB2 LEU 4 -5.060 5.221 -4.473 30 HB3 LEU 4 HB3 LEU 4 -3.377 5.274 -4.950 31 HG LEU 4 HG LEU 4 -4.396 2.664 -3.983 32 HD11 LEU 4 HD11 LEU 4 -5.495 2.127 -6.021 33 HD12 LEU 4 HD12 LEU 4 -6.211 3.623 -5.422 34 HD13 LEU 4 HD13 LEU 4 -5.040 3.669 -6.743 35 HD21 LEU 4 HD21 LEU 4 -2.855 1.804 -5.548 36 HD22 LEU 4 HD22 LEU 4 -2.758 3.338 -6.412 37 HD23 LEU 4 HD23 LEU 4 -2.050 3.184 -4.803 38 H LYS 5 H LYS 5 -3.885 7.438 -3.051 39 HA LYS 5 HA LYS 5 -6.127 7.596 -1.144 40 HB2 LYS 5 HB2 LYS 5 -4.009 8.619 -0.337 41 HB3 LYS 5 HB3 LYS 5 -4.016 9.685 -1.732 42 HG2 LYS 5 HG2 LYS 5 -6.131 10.661 -0.953 43 HG3 LYS 5 HG3 LYS 5 -6.068 9.619 0.472 44 HD2 LYS 5 HD2 LYS 5 -4.920 11.253 1.465 45 HD3 LYS 5 HD3 LYS 5 -3.576 10.829 0.405 46 HE2 LYS 5 HE2 LYS 5 -3.909 12.614 -0.963 47 HE3 LYS 5 HE3 LYS 5 -5.655 12.609 -0.713 48 HZ1 LYS 5 HZ1 LYS 5 -4.443 14.545 0.268 49 HZ2 LYS 5 HZ2 LYS 5 -3.718 13.473 1.360 50 HZ3 LYS 5 HZ3 LYS 5 -5.399 13.681 1.369 51 H ILE 6 H ILE 6 -7.979 8.307 -1.983 52 HA ILE 6 HA ILE 6 -7.944 9.363 -4.693 53 HB ILE 6 HB ILE 6 -9.542 7.617 -4.338 54 HG12 ILE 6 HG12 ILE 6 -11.648 9.539 -4.367 55 HG13 ILE 6 HG13 ILE 6 -10.257 10.231 -5.197 56 HG21 ILE 6 HG21 ILE 6 -10.293 9.178 -1.925 57 HG22 ILE 6 HG22 ILE 6 -11.530 8.215 -2.733 58 HG23 ILE 6 HG23 ILE 6 -10.066 7.440 -2.128 59 HD11 ILE 6 HD11 ILE 6 -10.161 8.148 -6.578 60 HD12 ILE 6 HD12 ILE 6 -11.694 7.674 -5.844 61 HD13 ILE 6 HD13 ILE 6 -11.599 9.142 -6.817 62 H THR 7 H THR 7 -8.224 11.434 -5.173 63 HA THR 7 HA THR 7 -8.347 13.250 -2.871 64 HB THR 7 HB THR 7 -7.465 14.495 -5.323 65 HG1 THR 7 HG1 THR 7 -6.348 11.995 -4.593 66 HG21 THR 7 HG21 THR 7 -5.351 14.715 -3.891 67 HG22 THR 7 HG22 THR 7 -6.277 13.919 -2.620 68 HG23 THR 7 HG23 THR 7 -6.823 15.464 -3.274 69 H GLY 8 H GLY 8 -9.866 12.492 -5.905 70 HA2 GLY 8 HA3 GLY 8 -11.445 14.969 -5.761 71 HA3 GLY 8 HA2 GLY 8 -11.256 13.963 -7.190 72 H MET 9 H MET 9 -11.835 12.340 -4.207 73 HA MET 9 HA MET 9 -14.692 12.325 -4.451 74 HB2 MET 9 HB2 MET 9 -14.204 10.841 -6.294 75 HB3 MET 9 HB3 MET 9 -13.115 9.889 -5.295 76 HG2 MET 9 HG2 MET 9 -15.438 9.747 -3.878 77 HG3 MET 9 HG3 MET 9 -16.024 9.787 -5.540 78 HE1 MET 9 HE1 MET 9 -14.653 8.077 -2.731 79 HE2 MET 9 HE2 MET 9 -14.340 6.411 -3.219 80 HE3 MET 9 HE3 MET 9 -13.088 7.639 -3.417 81 H THR 10 H THR 10 -14.986 12.641 -2.327 82 HA THR 10 HA THR 10 -13.928 10.617 -0.479 83 HB THR 10 HB THR 10 -15.429 12.495 0.971 84 HG1 THR 10 HG1 THR 10 -14.369 14.477 0.231 85 HG21 THR 10 HG21 THR 10 -12.994 13.344 1.497 86 HG22 THR 10 HG22 THR 10 -12.524 11.926 0.560 87 HG23 THR 10 HG23 THR 10 -13.514 11.737 2.007 88 H CYS 11 H CYS 11 -16.622 11.502 -2.265 89 HA CYS 11 HA CYS 11 -18.723 10.576 -0.668 90 HB2 CYS 11 HB2 CYS 11 -19.280 10.277 -3.463 91 HB3 CYS 11 HB3 CYS 11 -19.929 11.448 -2.323 92 H ASP 12 H ASP 12 -20.320 8.964 -1.672 93 HA ASP 12 HA ASP 12 -19.097 6.496 -0.779 94 HB2 ASP 12 HB2 ASP 12 -21.206 7.532 0.164 95 HB3 ASP 12 HB3 ASP 12 -22.009 7.066 -1.330 96 H SER 13 H SER 13 -21.663 7.044 -3.200 97 HA SER 13 HA SER 13 -21.511 4.438 -4.197 98 HB2 SER 13 HB2 SER 13 -22.602 6.505 -5.997 99 HB3 SER 13 HB3 SER 13 -23.348 5.030 -5.377 100 HG SER 13 HG SER 13 -23.732 6.076 -3.419 101 H CYS 14 H CYS 14 -19.694 7.246 -5.132 102 HA CYS 14 HA CYS 14 -18.925 6.375 -7.702 103 HB2 CYS 14 HB2 CYS 14 -17.339 8.076 -5.771 104 HB3 CYS 14 HB3 CYS 14 -17.114 7.985 -7.516 105 H ALA 15 H ALA 15 -17.705 5.711 -4.473 106 HA ALA 15 HA ALA 15 -15.445 4.174 -5.360 107 HB1 ALA 15 HB1 ALA 15 -14.945 4.881 -3.278 108 HB2 ALA 15 HB2 ALA 15 -16.634 4.934 -2.771 109 HB3 ALA 15 HB3 ALA 15 -15.770 3.397 -2.798 110 H ALA 16 H ALA 16 -17.433 3.221 -6.766 111 HA ALA 16 HA ALA 16 -17.558 0.457 -6.007 112 HB1 ALA 16 HB1 ALA 16 -19.726 0.232 -5.425 113 HB2 ALA 16 HB2 ALA 16 -19.644 1.957 -5.068 114 HB3 ALA 16 HB3 ALA 16 -20.269 1.405 -6.623 115 H HIS 17 H HIS 17 -18.829 3.011 -8.143 116 HA HIS 17 HA HIS 17 -18.782 1.372 -10.471 117 HB2 HIS 17 HB2 HIS 17 -19.865 3.787 -9.976 118 HB3 HIS 17 HB3 HIS 17 -18.387 4.290 -10.787 119 HD1 HIS 17 HD1 HIS 17 -21.381 4.507 -11.915 120 HD2 HIS 17 HD2 HIS 17 -18.505 1.699 -12.989 121 HE1 HIS 17 HE1 HIS 17 -22.052 3.681 -14.195 122 HE2 HIS 17 HE2 HIS 17 -20.172 2.162 -14.913 123 H VAL 18 H VAL 18 -16.517 3.542 -8.910 124 HA VAL 18 HA VAL 18 -14.405 3.273 -10.775 125 HB VAL 18 HB VAL 18 -14.327 3.863 -7.804 126 HG11 VAL 18 HG11 VAL 18 -12.049 4.907 -9.076 127 HG12 VAL 18 HG12 VAL 18 -12.124 3.615 -7.877 128 HG13 VAL 18 HG13 VAL 18 -12.187 3.228 -9.598 129 HG21 VAL 18 HG21 VAL 18 -15.344 5.713 -8.672 130 HG22 VAL 18 HG22 VAL 18 -13.656 6.170 -8.907 131 HG23 VAL 18 HG23 VAL 18 -14.590 5.523 -10.255 132 H LYS 19 H LYS 19 -15.420 1.431 -7.945 133 HA LYS 19 HA LYS 19 -13.321 -0.441 -7.910 134 HB2 LYS 19 HB2 LYS 19 -15.033 -0.128 -6.102 135 HB3 LYS 19 HB3 LYS 19 -16.206 -0.922 -7.140 136 HG2 LYS 19 HG2 LYS 19 -13.830 -2.529 -6.872 137 HG3 LYS 19 HG3 LYS 19 -14.501 -2.117 -5.293 138 HD2 LYS 19 HD2 LYS 19 -16.730 -2.781 -6.781 139 HD3 LYS 19 HD3 LYS 19 -15.511 -3.929 -7.338 140 HE2 LYS 19 HE2 LYS 19 -15.118 -4.002 -4.650 141 HE3 LYS 19 HE3 LYS 19 -16.855 -3.708 -4.732 142 HZ1 LYS 19 HZ1 LYS 19 -17.070 -5.646 -6.175 143 HZ2 LYS 19 HZ2 LYS 19 -16.378 -6.068 -4.686 144 HZ3 LYS 19 HZ3 LYS 19 -15.402 -5.934 -6.070 145 H GLU 20 H GLU 20 -16.404 -0.344 -9.644 146 HA GLU 20 HA GLU 20 -16.243 -2.837 -10.911 147 HB2 GLU 20 HB2 GLU 20 -17.835 -0.444 -11.136 148 HB3 GLU 20 HB3 GLU 20 -17.445 -1.064 -12.733 149 HG2 GLU 20 HG2 GLU 20 -18.184 -3.334 -11.423 150 HG3 GLU 20 HG3 GLU 20 -19.235 -2.126 -10.685 151 H ALA 21 H ALA 21 -15.102 0.356 -11.958 152 HA ALA 21 HA ALA 21 -13.995 -0.478 -14.411 153 HB1 ALA 21 HB1 ALA 21 -13.335 1.674 -14.650 154 HB2 ALA 21 HB2 ALA 21 -14.434 1.921 -13.292 155 HB3 ALA 21 HB3 ALA 21 -12.699 1.777 -13.009 156 H LEU 22 H LEU 22 -12.663 -0.293 -11.152 157 HA LEU 22 HA LEU 22 -10.014 -0.999 -11.826 158 HB2 LEU 22 HB2 LEU 22 -11.646 -0.818 -9.392 159 HB3 LEU 22 HB3 LEU 22 -10.365 -2.009 -9.306 160 HG LEU 22 HG LEU 22 -8.730 -0.446 -9.192 161 HD11 LEU 22 HD11 LEU 22 -10.403 1.206 -11.061 162 HD12 LEU 22 HD12 LEU 22 -8.956 1.841 -10.281 163 HD13 LEU 22 HD13 LEU 22 -8.835 0.453 -11.362 164 HD21 LEU 22 HD21 LEU 22 -9.473 1.591 -8.023 165 HD22 LEU 22 HD22 LEU 22 -11.141 1.191 -8.430 166 HD23 LEU 22 HD23 LEU 22 -10.210 0.127 -7.376 167 H GLU 23 H GLU 23 -12.798 -2.938 -10.797 168 HA GLU 23 HA GLU 23 -11.383 -5.408 -10.828 169 HB2 GLU 23 HB2 GLU 23 -14.200 -4.550 -10.451 170 HB3 GLU 23 HB3 GLU 23 -13.918 -6.228 -10.896 171 HG2 GLU 23 HG2 GLU 23 -12.249 -6.253 -8.952 172 HG3 GLU 23 HG3 GLU 23 -13.040 -4.763 -8.443 173 H LYS 24 H LYS 24 -12.915 -3.539 -13.287 174 HA LYS 24 HA LYS 24 -13.347 -5.710 -15.096 175 HB2 LYS 24 HB2 LYS 24 -14.023 -4.134 -16.653 176 HB3 LYS 24 HB3 LYS 24 -14.357 -3.302 -15.146 177 HG2 LYS 24 HG2 LYS 24 -13.208 -1.596 -15.972 178 HG3 LYS 24 HG3 LYS 24 -11.759 -2.575 -15.740 179 HD2 LYS 24 HD2 LYS 24 -12.721 -3.523 -18.119 180 HD3 LYS 24 HD3 LYS 24 -13.136 -1.809 -18.204 181 HE2 LYS 24 HE2 LYS 24 -10.734 -1.354 -17.495 182 HE3 LYS 24 HE3 LYS 24 -10.423 -3.054 -17.837 183 HZ1 LYS 24 HZ1 LYS 24 -11.792 -1.904 -20.009 184 HZ2 LYS 24 HZ2 LYS 24 -10.232 -2.575 -19.972 185 HZ3 LYS 24 HZ3 LYS 24 -10.457 -0.929 -19.626 186 H VAL 25 H VAL 25 -10.614 -4.012 -14.017 187 HA VAL 25 HA VAL 25 -8.925 -4.663 -16.270 188 HB VAL 25 HB VAL 25 -8.258 -3.691 -13.480 189 HG11 VAL 25 HG11 VAL 25 -6.010 -3.270 -14.291 190 HG12 VAL 25 HG12 VAL 25 -6.406 -4.981 -14.452 191 HG13 VAL 25 HG13 VAL 25 -6.434 -3.932 -15.869 192 HG21 VAL 25 HG21 VAL 25 -7.613 -1.613 -14.875 193 HG22 VAL 25 HG22 VAL 25 -8.643 -2.326 -16.118 194 HG23 VAL 25 HG23 VAL 25 -9.318 -1.917 -14.540 195 HA PRO 26 HA PRO 26 -8.486 -8.838 -14.808 196 HB2 PRO 26 HB2 PRO 26 -6.474 -9.225 -16.882 197 HB3 PRO 26 HB3 PRO 26 -8.106 -9.890 -16.786 198 HG2 PRO 26 HG2 PRO 26 -7.369 -8.017 -18.615 199 HG3 PRO 26 HG3 PRO 26 -9.019 -8.168 -17.989 200 HD2 PRO 26 HD2 PRO 26 -6.868 -6.228 -17.219 201 HD3 PRO 26 HD3 PRO 26 -8.611 -5.953 -17.436 202 H GLY 27 H GLY 27 -7.440 -7.915 -12.921 203 HA2 GLY 27 HA3 GLY 27 -5.145 -9.254 -12.205 204 HA3 GLY 27 HA2 GLY 27 -4.610 -7.667 -12.757 205 H VAL 28 H VAL 28 -7.527 -8.670 -11.058 206 HA VAL 28 HA VAL 28 -6.906 -6.921 -8.807 207 HB VAL 28 HB VAL 28 -9.114 -6.470 -10.807 208 HG11 VAL 28 HG11 VAL 28 -10.571 -6.013 -9.178 209 HG12 VAL 28 HG12 VAL 28 -9.344 -6.256 -7.934 210 HG13 VAL 28 HG13 VAL 28 -9.532 -4.674 -8.692 211 HG21 VAL 28 HG21 VAL 28 -7.456 -4.372 -9.444 212 HG22 VAL 28 HG22 VAL 28 -6.825 -5.275 -10.822 213 HG23 VAL 28 HG23 VAL 28 -8.288 -4.306 -11.000 214 H GLN 29 H GLN 29 -7.447 -8.075 -7.027 215 HA GLN 29 HA GLN 29 -9.564 -10.087 -7.321 216 HB2 GLN 29 HB2 GLN 29 -8.550 -11.384 -5.651 217 HB3 GLN 29 HB3 GLN 29 -7.218 -10.793 -6.629 218 HG2 GLN 29 HG2 GLN 29 -6.402 -9.469 -4.972 219 HG3 GLN 29 HG3 GLN 29 -7.985 -9.217 -4.242 220 HE21 GLN 29 HE21 GLN 29 -5.257 -10.184 -3.280 221 HE22 GLN 29 HE22 GLN 29 -5.645 -11.599 -2.353 222 H SER 30 H SER 30 -8.600 -7.279 -5.465 223 HA SER 30 HA SER 30 -11.273 -7.068 -4.378 224 HB2 SER 30 HB2 SER 30 -8.867 -7.287 -2.548 225 HB3 SER 30 HB3 SER 30 -10.490 -6.832 -2.035 226 HG SER 30 HG SER 30 -11.183 -8.916 -2.848 227 H ALA 31 H ALA 31 -11.792 -4.984 -3.668 228 HA ALA 31 HA ALA 31 -9.711 -2.929 -3.827 229 HB1 ALA 31 HB1 ALA 31 -12.274 -2.855 -5.416 230 HB2 ALA 31 HB2 ALA 31 -11.179 -1.488 -5.210 231 HB3 ALA 31 HB3 ALA 31 -10.632 -2.937 -6.053 232 H LEU 32 H LEU 32 -9.803 -2.297 -1.753 233 HA LEU 32 HA LEU 32 -12.421 -1.848 -0.507 234 HB2 LEU 32 HB2 LEU 32 -9.648 -2.097 0.660 235 HB3 LEU 32 HB3 LEU 32 -11.061 -1.670 1.605 236 HG LEU 32 HG LEU 32 -11.912 -3.976 0.443 237 HD11 LEU 32 HD11 LEU 32 -10.286 -5.421 -0.074 238 HD12 LEU 32 HD12 LEU 32 -9.271 -3.987 -0.232 239 HD13 LEU 32 HD13 LEU 32 -9.268 -4.907 1.272 240 HD21 LEU 32 HD21 LEU 32 -11.870 -4.848 2.568 241 HD22 LEU 32 HD22 LEU 32 -10.293 -4.152 2.941 242 HD23 LEU 32 HD23 LEU 32 -11.726 -3.124 2.908 243 H VAL 33 H VAL 33 -12.859 0.109 -1.580 244 HA VAL 33 HA VAL 33 -11.067 2.355 -1.048 245 HB VAL 33 HB VAL 33 -13.544 2.414 -2.729 246 HG11 VAL 33 HG11 VAL 33 -13.085 4.584 -2.904 247 HG12 VAL 33 HG12 VAL 33 -11.649 4.379 -1.900 248 HG13 VAL 33 HG13 VAL 33 -11.540 4.174 -3.647 249 HG21 VAL 33 HG21 VAL 33 -10.731 1.722 -3.533 250 HG22 VAL 33 HG22 VAL 33 -12.172 0.722 -3.702 251 HG23 VAL 33 HG23 VAL 33 -11.991 2.180 -4.679 252 H SER 34 H SER 34 -11.423 3.603 0.650 253 HA SER 34 HA SER 34 -14.077 3.577 1.893 254 HB2 SER 34 HB2 SER 34 -11.631 4.743 3.180 255 HB3 SER 34 HB3 SER 34 -13.038 3.991 3.934 256 HG SER 34 HG SER 34 -12.216 2.026 2.697 257 H TYR 35 H TYR 35 -15.366 5.198 1.473 258 HA TYR 35 HA TYR 35 -14.571 7.511 0.090 259 HB2 TYR 35 HB2 TYR 35 -17.126 7.963 1.350 260 HB3 TYR 35 HB3 TYR 35 -16.763 7.672 -0.338 261 HD1 TYR 35 HD1 TYR 35 -16.815 5.371 -1.256 262 HD2 TYR 35 HD2 TYR 35 -17.971 6.189 2.751 263 HE1 TYR 35 HE1 TYR 35 -17.936 3.185 -1.139 264 HE2 TYR 35 HE2 TYR 35 -19.094 4.010 2.879 265 HH TYR 35 HH TYR 35 -20.166 2.374 0.757 266 HA PRO 36 HA PRO 36 -15.412 10.082 4.020 267 HB2 PRO 36 HB2 PRO 36 -15.541 8.939 6.458 268 HB3 PRO 36 HB3 PRO 36 -16.941 9.048 5.385 269 HG2 PRO 36 HG2 PRO 36 -15.117 6.732 5.894 270 HG3 PRO 36 HG3 PRO 36 -16.885 6.756 5.748 271 HD2 PRO 36 HD2 PRO 36 -15.227 6.005 3.721 272 HD3 PRO 36 HD3 PRO 36 -16.820 6.739 3.460 273 H LYS 37 H LYS 37 -12.936 8.079 3.450 274 HA LYS 37 HA LYS 37 -11.159 9.597 5.230 275 HB2 LYS 37 HB2 LYS 37 -11.215 6.635 4.759 276 HB3 LYS 37 HB3 LYS 37 -9.714 7.438 5.194 277 HG2 LYS 37 HG2 LYS 37 -11.929 8.179 6.927 278 HG3 LYS 37 HG3 LYS 37 -11.592 6.448 6.944 279 HD2 LYS 37 HD2 LYS 37 -9.223 8.180 7.073 280 HD3 LYS 37 HD3 LYS 37 -10.303 8.288 8.463 281 HE2 LYS 37 HE2 LYS 37 -10.250 5.723 8.450 282 HE3 LYS 37 HE3 LYS 37 -8.841 5.897 7.402 283 HZ1 LYS 37 HZ1 LYS 37 -8.519 7.606 9.592 284 HZ2 LYS 37 HZ2 LYS 37 -7.612 6.231 9.189 285 HZ3 LYS 37 HZ3 LYS 37 -8.970 6.084 10.193 286 H GLY 38 H GLY 38 -12.019 8.666 2.149 287 HA2 GLY 38 HA3 GLY 38 -11.119 9.084 0.093 288 HA3 GLY 38 HA2 GLY 38 -10.052 10.217 0.907 289 H THR 39 H THR 39 -10.123 6.742 1.550 290 HA THR 39 HA THR 39 -7.512 6.576 0.211 291 HB THR 39 HB THR 39 -7.656 4.794 2.491 292 HG1 THR 39 HG1 THR 39 -8.288 7.503 2.849 293 HG21 THR 39 HG21 THR 39 -5.744 7.074 2.054 294 HG22 THR 39 HG22 THR 39 -5.658 5.599 1.090 295 HG23 THR 39 HG23 THR 39 -5.446 5.525 2.840 296 H ALA 40 H ALA 40 -7.114 4.787 -0.951 297 HA ALA 40 HA ALA 40 -9.248 2.757 -1.028 298 HB1 ALA 40 HB1 ALA 40 -8.318 2.455 -3.449 299 HB2 ALA 40 HB2 ALA 40 -9.430 3.777 -3.092 300 HB3 ALA 40 HB3 ALA 40 -7.697 4.087 -3.208 301 H GLN 41 H GLN 41 -8.680 0.751 -0.594 302 HA GLN 41 HA GLN 41 -5.816 0.044 -0.618 303 HB2 GLN 41 HB2 GLN 41 -7.165 -0.127 1.549 304 HB3 GLN 41 HB3 GLN 41 -8.017 -1.465 0.791 305 HG2 GLN 41 HG2 GLN 41 -5.195 -1.853 0.530 306 HG3 GLN 41 HG3 GLN 41 -5.606 -1.540 2.216 307 HE21 GLN 41 HE21 GLN 41 -5.484 -3.837 -0.226 308 HE22 GLN 41 HE22 GLN 41 -6.389 -5.092 0.552 309 H LEU 42 H LEU 42 -5.334 -0.898 -2.519 310 HA LEU 42 HA LEU 42 -7.402 -2.552 -3.780 311 HB2 LEU 42 HB2 LEU 42 -5.379 -0.700 -4.780 312 HB3 LEU 42 HB3 LEU 42 -5.399 -2.225 -5.646 313 HG LEU 42 HG LEU 42 -7.956 -0.736 -5.188 314 HD11 LEU 42 HD11 LEU 42 -6.383 -0.285 -7.673 315 HD12 LEU 42 HD12 LEU 42 -7.651 0.700 -6.946 316 HD13 LEU 42 HD13 LEU 42 -6.034 0.685 -6.242 317 HD21 LEU 42 HD21 LEU 42 -7.932 -1.864 -7.699 318 HD22 LEU 42 HD22 LEU 42 -7.035 -3.027 -6.723 319 HD23 LEU 42 HD23 LEU 42 -8.670 -2.560 -6.255 320 H ALA 43 H ALA 43 -7.188 -4.641 -3.894 321 HA ALA 43 HA ALA 43 -4.580 -5.865 -3.351 322 HB1 ALA 43 HB1 ALA 43 -7.061 -7.499 -3.487 323 HB2 ALA 43 HB2 ALA 43 -5.651 -7.670 -2.443 324 HB3 ALA 43 HB3 ALA 43 -6.853 -6.428 -2.099 325 H ILE 44 H ILE 44 -3.828 -5.399 -5.435 326 HA ILE 44 HA ILE 44 -5.226 -6.643 -7.687 327 HB ILE 44 HB ILE 44 -3.508 -5.359 -9.061 328 HG12 ILE 44 HG12 ILE 44 -2.981 -3.288 -7.225 329 HG13 ILE 44 HG13 ILE 44 -2.561 -4.785 -6.399 330 HG21 ILE 44 HG21 ILE 44 -5.226 -3.577 -7.359 331 HG22 ILE 44 HG22 ILE 44 -4.805 -3.398 -9.063 332 HG23 ILE 44 HG23 ILE 44 -5.906 -4.681 -8.555 333 HD11 ILE 44 HD11 ILE 44 -0.582 -4.254 -7.409 334 HD12 ILE 44 HD12 ILE 44 -1.303 -5.312 -8.622 335 HD13 ILE 44 HD13 ILE 44 -1.367 -3.561 -8.830 336 H VAL 45 H VAL 45 -3.976 -7.771 -9.294 337 HA VAL 45 HA VAL 45 -1.942 -9.515 -8.269 338 HB VAL 45 HB VAL 45 -3.486 -9.234 -10.753 339 HG11 VAL 45 HG11 VAL 45 -1.994 -10.340 -12.230 340 HG12 VAL 45 HG12 VAL 45 -1.126 -8.957 -11.566 341 HG13 VAL 45 HG13 VAL 45 -0.803 -10.578 -10.951 342 HG21 VAL 45 HG21 VAL 45 -2.756 -11.274 -8.801 343 HG22 VAL 45 HG22 VAL 45 -4.227 -11.087 -9.754 344 HG23 VAL 45 HG23 VAL 45 -2.810 -11.863 -10.463 345 HA PRO 46 HA PRO 46 1.404 -6.708 -8.889 346 HB2 PRO 46 HB2 PRO 46 3.197 -9.016 -9.200 347 HB3 PRO 46 HB3 PRO 46 3.142 -7.801 -7.922 348 HG2 PRO 46 HG2 PRO 46 2.358 -10.330 -7.488 349 HG3 PRO 46 HG3 PRO 46 1.555 -8.956 -6.705 350 HD2 PRO 46 HD2 PRO 46 0.688 -10.539 -9.099 351 HD3 PRO 46 HD3 PRO 46 -0.274 -9.980 -7.713 352 H GLY 47 H GLY 47 0.007 -7.343 -11.313 353 HA2 GLY 47 HA3 GLY 47 2.272 -7.102 -13.198 354 HA3 GLY 47 HA2 GLY 47 0.721 -7.812 -13.646 355 H THR 48 H THR 48 -0.777 -5.914 -12.056 356 HA THR 48 HA THR 48 -0.829 -3.670 -13.873 357 HB THR 48 HB THR 48 -2.539 -3.539 -11.488 358 HG1 THR 48 HG1 THR 48 -3.354 -5.488 -11.602 359 HG21 THR 48 HG21 THR 48 -4.225 -2.989 -13.074 360 HG22 THR 48 HG22 THR 48 -3.306 -3.703 -14.401 361 HG23 THR 48 HG23 THR 48 -2.745 -2.215 -13.638 362 H SER 49 H SER 49 0.387 -1.967 -13.585 363 HA SER 49 HA SER 49 1.852 -1.489 -11.239 364 HB2 SER 49 HB2 SER 49 1.469 0.845 -12.968 365 HB3 SER 49 HB3 SER 49 2.955 -0.011 -12.548 366 HG SER 49 HG SER 49 2.454 -0.188 -14.790 367 HA PRO 50 HA PRO 50 -1.178 0.556 -8.737 368 HB2 PRO 50 HB2 PRO 50 1.065 2.184 -7.688 369 HB3 PRO 50 HB3 PRO 50 -0.065 1.141 -6.818 370 HG2 PRO 50 HG2 PRO 50 2.469 0.402 -7.198 371 HG3 PRO 50 HG3 PRO 50 1.148 -0.780 -7.277 372 HD2 PRO 50 HD2 PRO 50 2.666 0.519 -9.512 373 HD3 PRO 50 HD3 PRO 50 2.111 -1.162 -9.355 374 H ASP 51 H ASP 51 1.252 2.442 -10.408 375 HA ASP 51 HA ASP 51 -0.178 4.895 -10.413 376 HB2 ASP 51 HB2 ASP 51 1.354 5.265 -12.505 377 HB3 ASP 51 HB3 ASP 51 2.077 5.171 -10.902 378 H ALA 52 H ALA 52 -0.430 1.966 -12.212 379 HA ALA 52 HA ALA 52 -1.751 3.129 -14.496 380 HB1 ALA 52 HB1 ALA 52 -2.406 0.418 -14.417 381 HB2 ALA 52 HB2 ALA 52 -1.115 1.173 -15.351 382 HB3 ALA 52 HB3 ALA 52 -0.778 0.518 -13.747 383 H LEU 53 H LEU 53 -2.665 1.620 -11.489 384 HA LEU 53 HA LEU 53 -5.464 1.553 -12.030 385 HB2 LEU 53 HB2 LEU 53 -3.885 1.386 -9.482 386 HB3 LEU 53 HB3 LEU 53 -5.631 1.266 -9.528 387 HG LEU 53 HG LEU 53 -4.339 -0.569 -11.379 388 HD11 LEU 53 HD11 LEU 53 -3.466 -2.089 -9.686 389 HD12 LEU 53 HD12 LEU 53 -2.596 -0.554 -9.674 390 HD13 LEU 53 HD13 LEU 53 -3.802 -0.893 -8.434 391 HD21 LEU 53 HD21 LEU 53 -6.642 -0.393 -9.662 392 HD22 LEU 53 HD22 LEU 53 -6.359 -1.432 -11.060 393 HD23 LEU 53 HD23 LEU 53 -5.820 -1.939 -9.458 394 H THR 54 H THR 54 -3.283 3.696 -10.282 395 HA THR 54 HA THR 54 -5.087 5.678 -9.520 396 HB THR 54 HB THR 54 -2.238 6.102 -10.449 397 HG1 THR 54 HG1 THR 54 -2.203 4.547 -8.846 398 HG21 THR 54 HG21 THR 54 -3.533 8.171 -10.140 399 HG22 THR 54 HG22 THR 54 -2.256 8.012 -8.933 400 HG23 THR 54 HG23 THR 54 -3.930 7.666 -8.497 401 H ALA 55 H ALA 55 -3.331 5.193 -12.545 402 HA ALA 55 HA ALA 55 -4.269 7.493 -13.891 403 HB1 ALA 55 HB1 ALA 55 -3.631 5.036 -15.431 404 HB2 ALA 55 HB2 ALA 55 -3.150 6.709 -15.718 405 HB3 ALA 55 HB3 ALA 55 -2.352 5.766 -14.460 406 H ALA 56 H ALA 56 -5.522 4.210 -13.590 407 HA ALA 56 HA ALA 56 -7.627 4.466 -15.451 408 HB1 ALA 56 HB1 ALA 56 -6.673 2.378 -14.141 409 HB2 ALA 56 HB2 ALA 56 -7.993 2.770 -13.038 410 HB3 ALA 56 HB3 ALA 56 -8.336 2.415 -14.731 411 H VAL 57 H VAL 57 -7.397 5.164 -11.998 412 HA VAL 57 HA VAL 57 -10.099 5.958 -11.667 413 HB VAL 57 HB VAL 57 -7.655 6.716 -10.050 414 HG11 VAL 57 HG11 VAL 57 -10.391 7.632 -9.914 415 HG12 VAL 57 HG12 VAL 57 -9.910 6.819 -8.424 416 HG13 VAL 57 HG13 VAL 57 -8.972 8.187 -9.027 417 HG21 VAL 57 HG21 VAL 57 -9.017 5.028 -8.482 418 HG22 VAL 57 HG22 VAL 57 -9.469 4.385 -10.061 419 HG23 VAL 57 HG23 VAL 57 -7.769 4.500 -9.610 420 H ALA 58 H ALA 58 -7.090 7.692 -12.396 421 HA ALA 58 HA ALA 58 -8.183 10.291 -12.453 422 HB1 ALA 58 HB1 ALA 58 -5.772 9.030 -13.707 423 HB2 ALA 58 HB2 ALA 58 -6.216 10.693 -14.094 424 HB3 ALA 58 HB3 ALA 58 -5.862 10.239 -12.426 425 H GLY 59 H GLY 59 -7.795 7.832 -14.969 426 HA2 GLY 59 HA3 GLY 59 -8.953 9.399 -17.052 427 HA3 GLY 59 HA2 GLY 59 -8.653 7.669 -17.093 428 H LEU 60 H LEU 60 -10.279 7.497 -14.495 429 HA LEU 60 HA LEU 60 -12.831 7.034 -15.704 430 HB2 LEU 60 HB2 LEU 60 -11.528 6.374 -13.270 431 HB3 LEU 60 HB3 LEU 60 -13.052 7.144 -12.884 432 HG LEU 60 HG LEU 60 -13.059 4.621 -13.076 433 HD11 LEU 60 HD11 LEU 60 -15.116 5.846 -13.003 434 HD12 LEU 60 HD12 LEU 60 -14.970 6.276 -14.707 435 HD13 LEU 60 HD13 LEU 60 -15.249 4.598 -14.243 436 HD21 LEU 60 HD21 LEU 60 -11.897 4.005 -14.948 437 HD22 LEU 60 HD22 LEU 60 -13.536 4.018 -15.598 438 HD23 LEU 60 HD23 LEU 60 -12.464 5.387 -15.886 439 H GLY 61 H GLY 61 -11.366 9.843 -14.850 440 HA2 GLY 61 HA3 GLY 61 -12.416 11.950 -15.082 441 HA3 GLY 61 HA2 GLY 61 -13.953 11.206 -14.660 442 H TYR 62 H TYR 62 -11.539 10.133 -12.627 443 HA TYR 62 HA TYR 62 -12.344 12.080 -10.574 444 HB2 TYR 62 HB2 TYR 62 -11.571 9.166 -10.266 445 HB3 TYR 62 HB3 TYR 62 -11.890 10.265 -8.927 446 HD1 TYR 62 HD2 TYR 62 -14.166 11.008 -8.441 447 HD2 TYR 62 HD1 TYR 62 -13.378 8.306 -11.628 448 HE1 TYR 62 HE2 TYR 62 -16.559 10.450 -8.549 449 HE2 TYR 62 HE1 TYR 62 -15.767 7.740 -11.747 450 HH TYR 62 HH TYR 62 -18.135 9.252 -9.550 451 H LYS 63 H LYS 63 -10.548 11.696 -8.646 452 HA LYS 63 HA LYS 63 -7.909 11.997 -9.906 453 HB2 LYS 63 HB2 LYS 63 -9.444 14.043 -8.661 454 HB3 LYS 63 HB3 LYS 63 -8.087 13.679 -7.604 455 HG2 LYS 63 HG2 LYS 63 -7.656 14.129 -10.526 456 HG3 LYS 63 HG3 LYS 63 -7.820 15.490 -9.417 457 HD2 LYS 63 HD2 LYS 63 -5.841 15.058 -8.373 458 HD3 LYS 63 HD3 LYS 63 -5.939 13.320 -8.662 459 HE2 LYS 63 HE2 LYS 63 -4.137 14.500 -9.943 460 HE3 LYS 63 HE3 LYS 63 -5.274 13.582 -10.930 461 HZ1 LYS 63 HZ1 LYS 63 -6.164 15.457 -11.825 462 HZ2 LYS 63 HZ2 LYS 63 -4.596 16.035 -11.533 463 HZ3 LYS 63 HZ3 LYS 63 -5.851 16.413 -10.458 464 H ALA 64 H ALA 64 -6.395 10.774 -8.974 465 HA ALA 64 HA ALA 64 -6.592 10.161 -6.122 466 HB1 ALA 64 HB1 ALA 64 -5.731 7.790 -7.459 467 HB2 ALA 64 HB2 ALA 64 -7.102 8.022 -6.375 468 HB3 ALA 64 HB3 ALA 64 -7.294 8.292 -8.107 469 H THR 65 H THR 65 -4.587 9.273 -5.245 470 HA THR 65 HA THR 65 -2.201 9.604 -6.918 471 HB THR 65 HB THR 65 -1.981 10.586 -4.140 472 HG1 THR 65 HG1 THR 65 -3.910 11.553 -5.561 473 HG21 THR 65 HG21 THR 65 -0.020 11.269 -4.935 474 HG22 THR 65 HG22 THR 65 -0.846 12.316 -6.089 475 HG23 THR 65 HG23 THR 65 -0.457 10.654 -6.529 476 H LEU 66 H LEU 66 -0.481 8.240 -6.308 477 HA LEU 66 HA LEU 66 -1.226 5.943 -4.780 478 HB2 LEU 66 HB2 LEU 66 1.500 5.759 -5.082 479 HB3 LEU 66 HB3 LEU 66 0.298 5.111 -6.180 480 HG LEU 66 HG LEU 66 0.609 7.751 -7.005 481 HD11 LEU 66 HD11 LEU 66 2.596 7.957 -5.602 482 HD12 LEU 66 HD12 LEU 66 3.298 6.538 -6.381 483 HD13 LEU 66 HD13 LEU 66 3.016 8.008 -7.315 484 HD21 LEU 66 HD21 LEU 66 1.459 6.789 -8.998 485 HD22 LEU 66 HD22 LEU 66 2.056 5.369 -8.138 486 HD23 LEU 66 HD23 LEU 66 0.321 5.622 -8.326 487 H ALA 67 H ALA 67 -1.467 6.176 -2.657 488 HA ALA 67 HA ALA 67 0.325 7.925 -1.166 489 HB1 ALA 67 HB1 ALA 67 -1.308 8.116 0.416 490 HB2 ALA 67 HB2 ALA 67 -2.311 7.741 -0.985 491 HB3 ALA 67 HB3 ALA 67 -1.898 6.473 0.168 492 H ASP 68 H ASP 68 1.760 5.884 -2.012 493 HA ASP 68 HA ASP 68 1.845 3.525 -0.556 494 HB2 ASP 68 HB2 ASP 68 3.225 3.630 -2.444 495 HB3 ASP 68 HB3 ASP 68 3.935 5.154 -1.945 496 H ALA 69 H ALA 69 2.239 3.103 1.510 497 HA ALA 69 HA ALA 69 4.019 4.779 3.069 498 HB1 ALA 69 HB1 ALA 69 1.186 5.088 3.204 499 HB2 ALA 69 HB2 ALA 69 1.756 4.400 4.725 500 HB3 ALA 69 HB3 ALA 69 2.434 5.918 4.134 Start of MODEL 20 1 H1 MET 1 H1 MET 1 2.417 -2.305 -1.692 2 H2 MET 1 H2 MET 1 3.691 -1.230 -1.995 3 H3 MET 1 H3 MET 1 2.900 -1.998 -3.289 4 HA MET 1 HA MET 1 1.870 0.114 -1.501 5 HB2 MET 1 HB2 MET 1 2.870 -0.034 -4.222 6 HB3 MET 1 HB3 MET 1 1.234 0.608 -4.181 7 HG2 MET 1 HG2 MET 1 2.180 2.121 -2.282 8 HG3 MET 1 HG3 MET 1 3.736 1.718 -3.008 9 HE1 MET 1 HE1 MET 1 4.631 3.774 -4.957 10 HE2 MET 1 HE2 MET 1 4.428 2.035 -5.169 11 HE3 MET 1 HE3 MET 1 3.799 3.151 -6.381 12 H THR 2 H THR 2 -0.126 -0.190 -0.805 13 HA THR 2 HA THR 2 -2.010 -1.659 -2.533 14 HB THR 2 HB THR 2 -2.690 -2.198 0.167 15 HG1 THR 2 HG1 THR 2 -0.647 -1.969 0.920 16 HG21 THR 2 HG21 THR 2 -1.806 -3.760 -2.218 17 HG22 THR 2 HG22 THR 2 -3.331 -3.822 -1.333 18 HG23 THR 2 HG23 THR 2 -1.886 -4.572 -0.655 19 H HIS 3 H HIS 3 -1.461 1.232 -1.596 20 HA HIS 3 HA HIS 3 -4.259 1.834 -0.966 21 HB2 HIS 3 HB2 HIS 3 -1.866 2.562 0.661 22 HB3 HIS 3 HB3 HIS 3 -3.156 3.748 0.516 23 HD1 HIS 3 HD1 HIS 3 -5.454 3.131 1.629 24 HD2 HIS 3 HD2 HIS 3 -2.400 0.394 2.285 25 HE1 HIS 3 HE1 HIS 3 -6.233 1.696 3.537 26 HE2 HIS 3 HE2 HIS 3 -4.260 0.227 4.070 27 H LEU 4 H LEU 4 -5.033 3.299 -2.315 28 HA LEU 4 HA LEU 4 -3.290 5.533 -3.088 29 HB2 LEU 4 HB2 LEU 4 -4.845 5.568 -5.219 30 HB3 LEU 4 HB3 LEU 4 -3.397 4.586 -5.173 31 HG LEU 4 HG LEU 4 -5.784 3.178 -4.231 32 HD11 LEU 4 HD11 LEU 4 -5.782 4.612 -6.809 33 HD12 LEU 4 HD12 LEU 4 -6.290 2.923 -6.851 34 HD13 LEU 4 HD13 LEU 4 -7.132 4.070 -5.809 35 HD21 LEU 4 HD21 LEU 4 -3.341 2.438 -5.007 36 HD22 LEU 4 HD22 LEU 4 -4.748 1.388 -5.172 37 HD23 LEU 4 HD23 LEU 4 -4.169 2.311 -6.558 38 H LYS 5 H LYS 5 -4.346 7.562 -3.116 39 HA LYS 5 HA LYS 5 -6.888 7.445 -1.631 40 HB2 LYS 5 HB2 LYS 5 -6.264 9.541 -0.561 41 HB3 LYS 5 HB3 LYS 5 -5.028 8.320 -0.301 42 HG2 LYS 5 HG2 LYS 5 -3.620 9.332 -1.978 43 HG3 LYS 5 HG3 LYS 5 -4.881 10.506 -2.367 44 HD2 LYS 5 HD2 LYS 5 -4.275 10.486 0.462 45 HD3 LYS 5 HD3 LYS 5 -2.832 10.799 -0.505 46 HE2 LYS 5 HE2 LYS 5 -3.516 12.919 -0.583 47 HE3 LYS 5 HE3 LYS 5 -4.760 12.365 -1.703 48 HZ1 LYS 5 HZ1 LYS 5 -5.026 13.329 0.973 49 HZ2 LYS 5 HZ2 LYS 5 -5.769 11.819 0.783 50 HZ3 LYS 5 HZ3 LYS 5 -6.214 13.113 -0.219 51 H ILE 6 H ILE 6 -8.590 8.658 -2.223 52 HA ILE 6 HA ILE 6 -8.605 9.777 -4.869 53 HB ILE 6 HB ILE 6 -10.796 10.073 -2.820 54 HG12 ILE 6 HG12 ILE 6 -10.202 7.733 -4.642 55 HG13 ILE 6 HG13 ILE 6 -10.261 7.717 -2.885 56 HG21 ILE 6 HG21 ILE 6 -11.651 9.607 -5.514 57 HG22 ILE 6 HG22 ILE 6 -11.938 11.008 -4.481 58 HG23 ILE 6 HG23 ILE 6 -10.486 10.930 -5.481 59 HD11 ILE 6 HD11 ILE 6 -12.445 7.637 -4.859 60 HD12 ILE 6 HD12 ILE 6 -12.303 6.862 -3.282 61 HD13 ILE 6 HD13 ILE 6 -12.741 8.566 -3.390 62 H THR 7 H THR 7 -8.060 11.794 -5.367 63 HA THR 7 HA THR 7 -7.462 13.602 -3.139 64 HB THR 7 HB THR 7 -6.680 14.503 -5.808 65 HG1 THR 7 HG1 THR 7 -6.131 11.886 -4.958 66 HG21 THR 7 HG21 THR 7 -4.416 14.067 -4.290 67 HG22 THR 7 HG22 THR 7 -5.655 14.398 -3.079 68 HG23 THR 7 HG23 THR 7 -5.340 15.569 -4.359 69 H GLY 8 H GLY 8 -9.737 13.139 -5.623 70 HA2 GLY 8 HA3 GLY 8 -10.475 15.985 -5.624 71 HA3 GLY 8 HA2 GLY 8 -10.939 14.811 -6.848 72 H MET 9 H MET 9 -11.242 13.518 -3.732 73 HA MET 9 HA MET 9 -13.806 14.429 -3.010 74 HB2 MET 9 HB2 MET 9 -13.791 12.773 -5.300 75 HB3 MET 9 HB3 MET 9 -14.389 11.783 -3.977 76 HG2 MET 9 HG2 MET 9 -16.292 12.989 -3.744 77 HG3 MET 9 HG3 MET 9 -15.542 14.488 -4.285 78 HE1 MET 9 HE1 MET 9 -18.025 14.759 -6.641 79 HE2 MET 9 HE2 MET 9 -18.698 13.235 -6.061 80 HE3 MET 9 HE3 MET 9 -17.994 14.378 -4.918 81 H THR 10 H THR 10 -14.680 13.275 -1.219 82 HA THR 10 HA THR 10 -13.169 11.002 -0.195 83 HB THR 10 HB THR 10 -15.584 11.258 1.238 84 HG1 THR 10 HG1 THR 10 -14.500 13.833 1.277 85 HG21 THR 10 HG21 THR 10 -12.802 12.287 1.812 86 HG22 THR 10 HG22 THR 10 -13.490 10.735 2.289 87 HG23 THR 10 HG23 THR 10 -14.097 12.226 3.008 88 H CYS 11 H CYS 11 -16.342 10.217 0.479 89 HA CYS 11 HA CYS 11 -17.975 10.754 -1.364 90 HB2 CYS 11 HB2 CYS 11 -16.081 9.230 -2.823 91 HB3 CYS 11 HB3 CYS 11 -17.689 8.527 -2.970 92 H ASP 12 H ASP 12 -19.497 8.957 -2.360 93 HA ASP 12 HA ASP 12 -19.478 6.529 -0.716 94 HB2 ASP 12 HB2 ASP 12 -21.454 8.011 -0.150 95 HB3 ASP 12 HB3 ASP 12 -21.974 7.862 -1.822 96 H SER 13 H SER 13 -21.885 6.349 -3.020 97 HA SER 13 HA SER 13 -21.835 5.557 -5.242 98 HB2 SER 13 HB2 SER 13 -20.858 8.324 -5.744 99 HB3 SER 13 HB3 SER 13 -22.245 7.476 -6.426 100 HG SER 13 HG SER 13 -23.241 7.654 -4.340 101 H CYS 14 H CYS 14 -19.135 7.822 -5.320 102 HA CYS 14 HA CYS 14 -17.917 6.807 -7.580 103 HB2 CYS 14 HB2 CYS 14 -17.480 9.024 -6.521 104 HB3 CYS 14 HB3 CYS 14 -16.555 8.203 -5.265 105 H ALA 15 H ALA 15 -17.022 6.218 -4.184 106 HA ALA 15 HA ALA 15 -15.118 4.194 -4.906 107 HB1 ALA 15 HB1 ALA 15 -15.622 3.885 -2.211 108 HB2 ALA 15 HB2 ALA 15 -14.351 4.874 -2.930 109 HB3 ALA 15 HB3 ALA 15 -15.895 5.604 -2.494 110 H ALA 16 H ALA 16 -17.316 3.506 -6.134 111 HA ALA 16 HA ALA 16 -17.707 0.838 -5.156 112 HB1 ALA 16 HB1 ALA 16 -19.988 0.839 -4.773 113 HB2 ALA 16 HB2 ALA 16 -19.544 2.419 -4.125 114 HB3 ALA 16 HB3 ALA 16 -20.255 2.294 -5.735 115 H HIS 17 H HIS 17 -18.885 3.331 -7.418 116 HA HIS 17 HA HIS 17 -19.083 1.554 -9.630 117 HB2 HIS 17 HB2 HIS 17 -19.894 4.111 -9.198 118 HB3 HIS 17 HB3 HIS 17 -18.477 4.383 -10.204 119 HD1 HIS 17 HD1 HIS 17 -21.272 5.077 -11.266 120 HD2 HIS 17 HD2 HIS 17 -19.386 1.424 -11.889 121 HE1 HIS 17 HE1 HIS 17 -22.338 4.102 -13.326 122 HE2 HIS 17 HE2 HIS 17 -21.322 1.804 -13.556 123 H VAL 18 H VAL 18 -16.579 3.654 -8.367 124 HA VAL 18 HA VAL 18 -14.679 3.180 -10.426 125 HB VAL 18 HB VAL 18 -14.351 4.115 -7.570 126 HG11 VAL 18 HG11 VAL 18 -12.341 2.880 -8.781 127 HG12 VAL 18 HG12 VAL 18 -12.155 4.463 -9.538 128 HG13 VAL 18 HG13 VAL 18 -12.090 4.311 -7.781 129 HG21 VAL 18 HG21 VAL 18 -14.761 6.149 -8.356 130 HG22 VAL 18 HG22 VAL 18 -13.561 5.956 -9.633 131 HG23 VAL 18 HG23 VAL 18 -15.217 5.405 -9.888 132 H LYS 19 H LYS 19 -15.364 1.692 -7.296 133 HA LYS 19 HA LYS 19 -13.268 -0.166 -7.265 134 HB2 LYS 19 HB2 LYS 19 -14.742 0.285 -5.325 135 HB3 LYS 19 HB3 LYS 19 -16.073 -0.490 -6.169 136 HG2 LYS 19 HG2 LYS 19 -13.872 -2.287 -6.130 137 HG3 LYS 19 HG3 LYS 19 -14.125 -1.665 -4.498 138 HD2 LYS 19 HD2 LYS 19 -16.682 -2.186 -5.377 139 HD3 LYS 19 HD3 LYS 19 -15.742 -3.507 -6.075 140 HE2 LYS 19 HE2 LYS 19 -14.973 -3.003 -3.336 141 HE3 LYS 19 HE3 LYS 19 -16.703 -3.314 -3.465 142 HZ1 LYS 19 HZ1 LYS 19 -16.152 -5.352 -4.719 143 HZ2 LYS 19 HZ2 LYS 19 -15.553 -5.372 -3.138 144 HZ3 LYS 19 HZ3 LYS 19 -14.505 -5.065 -4.439 145 H GLU 20 H GLU 20 -16.516 -0.320 -8.660 146 HA GLU 20 HA GLU 20 -16.370 -2.969 -9.606 147 HB2 GLU 20 HB2 GLU 20 -18.517 -2.069 -9.564 148 HB3 GLU 20 HB3 GLU 20 -18.010 -0.559 -10.305 149 HG2 GLU 20 HG2 GLU 20 -17.500 -2.242 -12.327 150 HG3 GLU 20 HG3 GLU 20 -18.824 -3.105 -11.542 151 H ALA 21 H ALA 21 -15.774 0.123 -11.290 152 HA ALA 21 HA ALA 21 -14.937 -0.974 -13.728 153 HB1 ALA 21 HB1 ALA 21 -13.708 1.264 -13.963 154 HB2 ALA 21 HB2 ALA 21 -15.459 1.305 -13.761 155 HB3 ALA 21 HB3 ALA 21 -14.404 1.660 -12.393 156 H LEU 22 H LEU 22 -13.134 -0.143 -10.818 157 HA LEU 22 HA LEU 22 -10.556 -0.665 -11.829 158 HB2 LEU 22 HB2 LEU 22 -11.792 -0.249 -9.183 159 HB3 LEU 22 HB3 LEU 22 -10.274 -1.124 -9.180 160 HG LEU 22 HG LEU 22 -10.735 1.639 -10.305 161 HD11 LEU 22 HD11 LEU 22 -9.359 2.414 -8.504 162 HD12 LEU 22 HD12 LEU 22 -10.680 1.457 -7.832 163 HD13 LEU 22 HD13 LEU 22 -9.064 0.763 -7.961 164 HD21 LEU 22 HD21 LEU 22 -8.702 1.617 -11.259 165 HD22 LEU 22 HD22 LEU 22 -8.000 0.617 -9.987 166 HD23 LEU 22 HD23 LEU 22 -8.940 -0.131 -11.278 167 H GLU 23 H GLU 23 -12.827 -2.697 -9.987 168 HA GLU 23 HA GLU 23 -11.103 -4.958 -9.952 169 HB2 GLU 23 HB2 GLU 23 -13.986 -4.489 -9.322 170 HB3 GLU 23 HB3 GLU 23 -13.413 -6.142 -9.502 171 HG2 GLU 23 HG2 GLU 23 -11.795 -5.825 -7.751 172 HG3 GLU 23 HG3 GLU 23 -12.214 -4.119 -7.626 173 H LYS 24 H LYS 24 -13.201 -3.620 -12.315 174 HA LYS 24 HA LYS 24 -13.434 -5.968 -13.935 175 HB2 LYS 24 HB2 LYS 24 -14.115 -3.111 -14.174 176 HB3 LYS 24 HB3 LYS 24 -13.724 -3.907 -15.693 177 HG2 LYS 24 HG2 LYS 24 -15.408 -5.644 -15.154 178 HG3 LYS 24 HG3 LYS 24 -15.852 -4.705 -13.727 179 HD2 LYS 24 HD2 LYS 24 -17.223 -3.478 -14.970 180 HD3 LYS 24 HD3 LYS 24 -15.853 -2.942 -15.947 181 HE2 LYS 24 HE2 LYS 24 -17.844 -4.117 -17.106 182 HE3 LYS 24 HE3 LYS 24 -16.203 -4.572 -17.556 183 HZ1 LYS 24 HZ1 LYS 24 -18.030 -6.357 -16.981 184 HZ2 LYS 24 HZ2 LYS 24 -17.487 -6.079 -15.401 185 HZ3 LYS 24 HZ3 LYS 24 -16.397 -6.603 -16.590 186 H VAL 25 H VAL 25 -10.909 -3.801 -13.267 187 HA VAL 25 HA VAL 25 -9.526 -4.074 -15.783 188 HB VAL 25 HB VAL 25 -8.646 -2.982 -13.102 189 HG11 VAL 25 HG11 VAL 25 -7.141 -3.061 -15.713 190 HG12 VAL 25 HG12 VAL 25 -6.701 -2.042 -14.343 191 HG13 VAL 25 HG13 VAL 25 -6.668 -3.798 -14.182 192 HG21 VAL 25 HG21 VAL 25 -9.552 -1.717 -15.671 193 HG22 VAL 25 HG22 VAL 25 -10.219 -1.520 -14.050 194 HG23 VAL 25 HG23 VAL 25 -8.647 -0.825 -14.447 195 HA PRO 26 HA PRO 26 -7.753 -8.049 -14.825 196 HB2 PRO 26 HB2 PRO 26 -5.760 -7.391 -16.893 197 HB3 PRO 26 HB3 PRO 26 -6.941 -8.703 -16.852 198 HG2 PRO 26 HG2 PRO 26 -7.205 -6.618 -18.524 199 HG3 PRO 26 HG3 PRO 26 -8.606 -7.420 -17.789 200 HD2 PRO 26 HD2 PRO 26 -7.283 -4.841 -17.029 201 HD3 PRO 26 HD3 PRO 26 -9.012 -5.241 -17.110 202 H GLY 27 H GLY 27 -6.241 -8.688 -13.441 203 HA2 GLY 27 HA3 GLY 27 -4.004 -8.647 -12.547 204 HA3 GLY 27 HA2 GLY 27 -3.898 -6.948 -13.000 205 H VAL 28 H VAL 28 -6.880 -7.130 -11.938 206 HA VAL 28 HA VAL 28 -6.211 -6.390 -9.190 207 HB VAL 28 HB VAL 28 -8.750 -6.063 -10.798 208 HG11 VAL 28 HG11 VAL 28 -9.365 -6.281 -8.482 209 HG12 VAL 28 HG12 VAL 28 -8.105 -5.148 -7.997 210 HG13 VAL 28 HG13 VAL 28 -9.486 -4.581 -8.937 211 HG21 VAL 28 HG21 VAL 28 -6.368 -4.408 -10.370 212 HG22 VAL 28 HG22 VAL 28 -7.553 -4.383 -11.676 213 HG23 VAL 28 HG23 VAL 28 -7.903 -3.562 -10.155 214 H GLN 29 H GLN 29 -7.505 -7.310 -7.413 215 HA GLN 29 HA GLN 29 -8.742 -9.892 -8.071 216 HB2 GLN 29 HB2 GLN 29 -6.270 -9.660 -6.861 217 HB3 GLN 29 HB3 GLN 29 -7.359 -9.883 -5.499 218 HG2 GLN 29 HG2 GLN 29 -7.859 -11.709 -7.719 219 HG3 GLN 29 HG3 GLN 29 -6.261 -11.880 -6.995 220 HE21 GLN 29 HE21 GLN 29 -6.408 -13.654 -5.792 221 HE22 GLN 29 HE22 GLN 29 -7.608 -13.937 -4.570 222 H SER 30 H SER 30 -8.273 -7.484 -5.458 223 HA SER 30 HA SER 30 -11.148 -7.451 -5.071 224 HB2 SER 30 HB2 SER 30 -9.662 -7.748 -2.522 225 HB3 SER 30 HB3 SER 30 -11.258 -8.346 -2.970 226 HG SER 30 HG SER 30 -9.904 -9.827 -4.404 227 H ALA 31 H ALA 31 -11.760 -5.399 -4.811 228 HA ALA 31 HA ALA 31 -9.723 -3.479 -3.898 229 HB1 ALA 31 HB1 ALA 31 -11.487 -3.434 -6.088 230 HB2 ALA 31 HB2 ALA 31 -12.040 -2.191 -4.966 231 HB3 ALA 31 HB3 ALA 31 -10.378 -2.170 -5.560 232 H LEU 32 H LEU 32 -9.910 -2.698 -1.925 233 HA LEU 32 HA LEU 32 -12.547 -2.714 -0.618 234 HB2 LEU 32 HB2 LEU 32 -9.790 -2.605 0.616 235 HB3 LEU 32 HB3 LEU 32 -11.303 -2.623 1.503 236 HG LEU 32 HG LEU 32 -10.842 -4.879 -0.361 237 HD11 LEU 32 HD11 LEU 32 -8.711 -5.044 0.454 238 HD12 LEU 32 HD12 LEU 32 -9.121 -4.282 1.990 239 HD13 LEU 32 HD13 LEU 32 -9.594 -5.952 1.683 240 HD21 LEU 32 HD21 LEU 32 -11.993 -4.526 2.396 241 HD22 LEU 32 HD22 LEU 32 -12.857 -4.869 0.898 242 HD23 LEU 32 HD23 LEU 32 -11.808 -6.094 1.612 243 H VAL 33 H VAL 33 -13.271 -0.783 -1.443 244 HA VAL 33 HA VAL 33 -11.601 1.585 -1.278 245 HB VAL 33 HB VAL 33 -13.877 2.647 -2.093 246 HG11 VAL 33 HG11 VAL 33 -13.120 2.456 -4.311 247 HG12 VAL 33 HG12 VAL 33 -11.673 2.375 -3.308 248 HG13 VAL 33 HG13 VAL 33 -12.349 0.901 -4.002 249 HG21 VAL 33 HG21 VAL 33 -14.812 0.144 -1.740 250 HG22 VAL 33 HG22 VAL 33 -15.480 1.283 -2.910 251 HG23 VAL 33 HG23 VAL 33 -14.323 0.058 -3.434 252 H SER 34 H SER 34 -11.994 3.375 -0.027 253 HA SER 34 HA SER 34 -14.046 3.124 2.060 254 HB2 SER 34 HB2 SER 34 -11.603 4.459 2.951 255 HB3 SER 34 HB3 SER 34 -12.528 3.173 3.730 256 HG SER 34 HG SER 34 -11.499 1.827 1.953 257 H TYR 35 H TYR 35 -15.268 4.584 0.760 258 HA TYR 35 HA TYR 35 -14.374 7.050 -0.168 259 HB2 TYR 35 HB2 TYR 35 -16.975 7.660 0.147 260 HB3 TYR 35 HB3 TYR 35 -16.369 6.666 -1.165 261 HD1 TYR 35 HD1 TYR 35 -16.477 4.114 -0.922 262 HD2 TYR 35 HD2 TYR 35 -18.544 6.766 1.681 263 HE1 TYR 35 HE1 TYR 35 -17.965 2.281 -0.248 264 HE2 TYR 35 HE2 TYR 35 -20.037 4.938 2.362 265 HH TYR 35 HH TYR 35 -20.309 2.063 0.693 266 HA PRO 36 HA PRO 36 -16.222 9.014 3.958 267 HB2 PRO 36 HB2 PRO 36 -15.164 6.994 5.868 268 HB3 PRO 36 HB3 PRO 36 -16.666 7.925 5.926 269 HG2 PRO 36 HG2 PRO 36 -16.705 5.348 5.293 270 HG3 PRO 36 HG3 PRO 36 -17.755 6.504 4.450 271 HD2 PRO 36 HD2 PRO 36 -15.192 5.256 3.535 272 HD3 PRO 36 HD3 PRO 36 -16.682 5.565 2.622 273 H LYS 37 H LYS 37 -13.255 7.095 3.895 274 HA LYS 37 HA LYS 37 -11.778 9.279 5.150 275 HB2 LYS 37 HB2 LYS 37 -11.451 6.419 4.996 276 HB3 LYS 37 HB3 LYS 37 -9.994 7.228 4.434 277 HG2 LYS 37 HG2 LYS 37 -10.995 8.441 6.854 278 HG3 LYS 37 HG3 LYS 37 -10.715 6.710 7.061 279 HD2 LYS 37 HD2 LYS 37 -8.621 8.235 5.634 280 HD3 LYS 37 HD3 LYS 37 -8.794 8.555 7.361 281 HE2 LYS 37 HE2 LYS 37 -8.582 6.153 7.812 282 HE3 LYS 37 HE3 LYS 37 -8.375 5.854 6.087 283 HZ1 LYS 37 HZ1 LYS 37 -6.577 7.801 7.296 284 HZ2 LYS 37 HZ2 LYS 37 -6.268 6.632 6.109 285 HZ3 LYS 37 HZ3 LYS 37 -6.341 6.183 7.742 286 H GLY 38 H GLY 38 -12.522 8.063 2.068 287 HA2 GLY 38 HA3 GLY 38 -11.973 8.913 -0.008 288 HA3 GLY 38 HA2 GLY 38 -10.934 10.085 0.790 289 H THR 39 H THR 39 -10.803 6.554 0.989 290 HA THR 39 HA THR 39 -8.267 6.600 -0.488 291 HB THR 39 HB THR 39 -8.234 4.711 1.735 292 HG1 THR 39 HG1 THR 39 -8.245 7.505 2.336 293 HG21 THR 39 HG21 THR 39 -6.053 6.231 2.065 294 HG22 THR 39 HG22 THR 39 -6.425 6.631 0.388 295 HG23 THR 39 HG23 THR 39 -6.154 4.952 0.856 296 H ALA 40 H ALA 40 -7.606 4.458 -1.246 297 HA ALA 40 HA ALA 40 -9.748 2.443 -1.224 298 HB1 ALA 40 HB1 ALA 40 -8.166 2.640 -3.705 299 HB2 ALA 40 HB2 ALA 40 -9.879 2.286 -3.474 300 HB3 ALA 40 HB3 ALA 40 -9.307 3.953 -3.412 301 H GLN 41 H GLN 41 -9.015 0.561 -0.493 302 HA GLN 41 HA GLN 41 -6.134 -0.006 -0.665 303 HB2 GLN 41 HB2 GLN 41 -7.297 -0.142 1.572 304 HB3 GLN 41 HB3 GLN 41 -8.221 -1.497 0.936 305 HG2 GLN 41 HG2 GLN 41 -6.239 -2.807 0.667 306 HG3 GLN 41 HG3 GLN 41 -5.216 -1.432 1.084 307 HE21 GLN 41 HE21 GLN 41 -5.732 -4.184 2.256 308 HE22 GLN 41 HE22 GLN 41 -5.996 -3.870 3.948 309 H LEU 42 H LEU 42 -5.760 -0.904 -2.617 310 HA LEU 42 HA LEU 42 -7.709 -2.853 -3.617 311 HB2 LEU 42 HB2 LEU 42 -5.915 -0.887 -4.900 312 HB3 LEU 42 HB3 LEU 42 -6.121 -2.413 -5.741 313 HG LEU 42 HG LEU 42 -8.706 -1.583 -5.008 314 HD11 LEU 42 HD11 LEU 42 -7.206 0.654 -6.349 315 HD12 LEU 42 HD12 LEU 42 -8.913 0.619 -5.907 316 HD13 LEU 42 HD13 LEU 42 -7.676 0.653 -4.650 317 HD21 LEU 42 HD21 LEU 42 -8.869 -2.534 -7.011 318 HD22 LEU 42 HD22 LEU 42 -8.367 -0.987 -7.693 319 HD23 LEU 42 HD23 LEU 42 -7.168 -2.238 -7.370 320 H ALA 43 H ALA 43 -7.231 -4.899 -3.452 321 HA ALA 43 HA ALA 43 -4.488 -5.772 -3.089 322 HB1 ALA 43 HB1 ALA 43 -5.700 -8.063 -2.963 323 HB2 ALA 43 HB2 ALA 43 -5.887 -6.926 -1.629 324 HB3 ALA 43 HB3 ALA 43 -7.167 -7.095 -2.830 325 H ILE 44 H ILE 44 -3.815 -5.121 -5.161 326 HA ILE 44 HA ILE 44 -4.907 -6.443 -7.487 327 HB ILE 44 HB ILE 44 -2.869 -5.365 -8.624 328 HG12 ILE 44 HG12 ILE 44 -2.758 -3.368 -6.464 329 HG13 ILE 44 HG13 ILE 44 -2.036 -4.922 -6.056 330 HG21 ILE 44 HG21 ILE 44 -4.815 -3.469 -7.332 331 HG22 ILE 44 HG22 ILE 44 -4.020 -3.304 -8.899 332 HG23 ILE 44 HG23 ILE 44 -5.244 -4.552 -8.656 333 HD11 ILE 44 HD11 ILE 44 -0.226 -3.867 -6.933 334 HD12 ILE 44 HD12 ILE 44 -0.876 -4.591 -8.404 335 HD13 ILE 44 HD13 ILE 44 -1.191 -2.894 -8.043 336 H VAL 45 H VAL 45 -3.725 -7.842 -8.839 337 HA VAL 45 HA VAL 45 -2.219 -9.812 -7.414 338 HB VAL 45 HB VAL 45 -3.130 -9.516 -10.246 339 HG11 VAL 45 HG11 VAL 45 -0.869 -10.563 -10.245 340 HG12 VAL 45 HG12 VAL 45 -1.528 -11.852 -9.238 341 HG13 VAL 45 HG13 VAL 45 -2.148 -11.604 -10.870 342 HG21 VAL 45 HG21 VAL 45 -4.131 -11.832 -9.497 343 HG22 VAL 45 HG22 VAL 45 -3.892 -11.148 -7.889 344 HG23 VAL 45 HG23 VAL 45 -4.907 -10.310 -9.063 345 HA PRO 46 HA PRO 46 1.901 -8.162 -8.023 346 HB2 PRO 46 HB2 PRO 46 2.519 -11.076 -8.205 347 HB3 PRO 46 HB3 PRO 46 3.292 -9.823 -7.227 348 HG2 PRO 46 HG2 PRO 46 1.619 -11.568 -6.116 349 HG3 PRO 46 HG3 PRO 46 1.622 -9.865 -5.617 350 HD2 PRO 46 HD2 PRO 46 -0.320 -11.336 -7.337 351 HD3 PRO 46 HD3 PRO 46 -0.605 -10.020 -6.181 352 H GLY 47 H GLY 47 2.447 -7.374 -9.957 353 HA2 GLY 47 HA3 GLY 47 3.460 -8.268 -12.158 354 HA3 GLY 47 HA2 GLY 47 1.868 -8.992 -12.348 355 H THR 48 H THR 48 0.399 -6.849 -11.188 356 HA THR 48 HA THR 48 0.389 -4.955 -13.364 357 HB THR 48 HB THR 48 -1.276 -4.405 -10.988 358 HG1 THR 48 HG1 THR 48 -2.246 -6.301 -10.931 359 HG21 THR 48 HG21 THR 48 -2.707 -3.558 -12.525 360 HG22 THR 48 HG22 THR 48 -2.483 -4.915 -13.629 361 HG23 THR 48 HG23 THR 48 -1.300 -3.608 -13.586 362 H SER 49 H SER 49 -0.222 -2.567 -12.241 363 HA SER 49 HA SER 49 1.957 -1.925 -10.473 364 HB2 SER 49 HB2 SER 49 2.149 -0.099 -12.675 365 HB3 SER 49 HB3 SER 49 3.386 -1.172 -12.027 366 HG SER 49 HG SER 49 2.070 -1.362 -14.338 367 HA PRO 50 HA PRO 50 -0.992 0.953 -8.990 368 HB2 PRO 50 HB2 PRO 50 1.264 2.750 -8.324 369 HB3 PRO 50 HB3 PRO 50 0.057 2.023 -7.259 370 HG2 PRO 50 HG2 PRO 50 2.583 1.154 -7.279 371 HG3 PRO 50 HG3 PRO 50 1.223 0.033 -7.075 372 HD2 PRO 50 HD2 PRO 50 2.877 0.588 -9.510 373 HD3 PRO 50 HD3 PRO 50 2.258 -0.961 -8.898 374 H ASP 51 H ASP 51 1.501 2.073 -11.168 375 HA ASP 51 HA ASP 51 0.399 4.606 -11.749 376 HB2 ASP 51 HB2 ASP 51 2.270 4.768 -12.972 377 HB3 ASP 51 HB3 ASP 51 2.620 3.085 -12.599 378 H ALA 52 H ALA 52 -0.469 1.405 -12.692 379 HA ALA 52 HA ALA 52 -1.925 2.157 -15.054 380 HB1 ALA 52 HB1 ALA 52 -2.911 -0.291 -14.395 381 HB2 ALA 52 HB2 ALA 52 -1.451 -0.018 -15.346 382 HB3 ALA 52 HB3 ALA 52 -1.331 -0.329 -13.614 383 H LEU 53 H LEU 53 -2.647 1.693 -11.664 384 HA LEU 53 HA LEU 53 -5.509 1.804 -12.034 385 HB2 LEU 53 HB2 LEU 53 -3.867 1.963 -9.519 386 HB3 LEU 53 HB3 LEU 53 -5.608 1.787 -9.582 387 HG LEU 53 HG LEU 53 -4.518 -0.318 -11.119 388 HD11 LEU 53 HD11 LEU 53 -2.968 -1.394 -9.752 389 HD12 LEU 53 HD12 LEU 53 -2.436 0.287 -9.752 390 HD13 LEU 53 HD13 LEU 53 -3.322 -0.357 -8.370 391 HD21 LEU 53 HD21 LEU 53 -5.365 -1.520 -8.875 392 HD22 LEU 53 HD22 LEU 53 -6.137 0.056 -8.687 393 HD23 LEU 53 HD23 LEU 53 -6.450 -0.913 -10.127 394 H THR 54 H THR 54 -2.989 3.889 -10.684 395 HA THR 54 HA THR 54 -4.510 6.109 -10.053 396 HB THR 54 HB THR 54 -1.807 6.343 -11.373 397 HG1 THR 54 HG1 THR 54 -1.528 4.783 -9.789 398 HG21 THR 54 HG21 THR 54 -2.985 8.433 -10.863 399 HG22 THR 54 HG22 THR 54 -1.547 8.244 -9.859 400 HG23 THR 54 HG23 THR 54 -3.144 7.930 -9.180 401 H ALA 55 H ALA 55 -3.118 5.114 -13.155 402 HA ALA 55 HA ALA 55 -4.237 7.188 -14.715 403 HB1 ALA 55 HB1 ALA 55 -3.917 5.565 -16.616 404 HB2 ALA 55 HB2 ALA 55 -2.473 5.910 -15.662 405 HB3 ALA 55 HB3 ALA 55 -3.348 4.399 -15.420 406 H ALA 56 H ALA 56 -5.335 3.879 -14.029 407 HA ALA 56 HA ALA 56 -7.795 4.123 -15.467 408 HB1 ALA 56 HB1 ALA 56 -8.242 1.986 -13.901 409 HB2 ALA 56 HB2 ALA 56 -7.300 1.927 -15.391 410 HB3 ALA 56 HB3 ALA 56 -6.481 2.050 -13.835 411 H VAL 57 H VAL 57 -7.082 5.875 -12.990 412 HA VAL 57 HA VAL 57 -9.947 6.059 -12.336 413 HB VAL 57 HB VAL 57 -7.687 6.339 -10.335 414 HG11 VAL 57 HG11 VAL 57 -9.066 7.335 -8.859 415 HG12 VAL 57 HG12 VAL 57 -9.940 7.830 -10.309 416 HG13 VAL 57 HG13 VAL 57 -10.475 6.420 -9.395 417 HG21 VAL 57 HG21 VAL 57 -8.787 4.020 -11.095 418 HG22 VAL 57 HG22 VAL 57 -8.241 4.331 -9.447 419 HG23 VAL 57 HG23 VAL 57 -9.948 4.497 -9.857 420 H ALA 58 H ALA 58 -6.758 7.689 -12.415 421 HA ALA 58 HA ALA 58 -7.832 10.316 -12.121 422 HB1 ALA 58 HB1 ALA 58 -5.447 9.824 -11.767 423 HB2 ALA 58 HB2 ALA 58 -5.268 9.511 -13.493 424 HB3 ALA 58 HB3 ALA 58 -5.695 11.127 -12.931 425 H GLY 59 H GLY 59 -7.119 8.293 -14.926 426 HA2 GLY 59 HA3 GLY 59 -7.914 10.311 -16.820 427 HA3 GLY 59 HA2 GLY 59 -7.548 8.628 -17.176 428 H LEU 60 H LEU 60 -9.545 7.996 -14.908 429 HA LEU 60 HA LEU 60 -11.837 7.668 -16.582 430 HB2 LEU 60 HB2 LEU 60 -10.951 6.747 -13.986 431 HB3 LEU 60 HB3 LEU 60 -12.644 7.201 -13.963 432 HG LEU 60 HG LEU 60 -12.470 4.851 -14.442 433 HD11 LEU 60 HD11 LEU 60 -14.262 5.184 -15.701 434 HD12 LEU 60 HD12 LEU 60 -13.645 6.736 -16.268 435 HD13 LEU 60 HD13 LEU 60 -13.192 5.250 -17.101 436 HD21 LEU 60 HD21 LEU 60 -11.030 5.337 -17.000 437 HD22 LEU 60 HD22 LEU 60 -10.105 5.253 -15.501 438 HD23 LEU 60 HD23 LEU 60 -11.100 3.885 -16.003 439 H GLY 61 H GLY 61 -10.724 10.221 -14.634 440 HA2 GLY 61 HA3 GLY 61 -11.946 12.324 -15.124 441 HA3 GLY 61 HA2 GLY 61 -13.416 11.443 -14.738 442 H TYR 62 H TYR 62 -11.608 10.148 -12.561 443 HA TYR 62 HA TYR 62 -12.232 12.184 -10.548 444 HB2 TYR 62 HB2 TYR 62 -11.339 9.377 -9.928 445 HB3 TYR 62 HB3 TYR 62 -12.341 10.457 -8.965 446 HD1 TYR 62 HD2 TYR 62 -14.715 10.860 -9.647 447 HD2 TYR 62 HD1 TYR 62 -12.304 7.886 -11.509 448 HE1 TYR 62 HE2 TYR 62 -16.738 9.780 -10.536 449 HE2 TYR 62 HE1 TYR 62 -14.323 6.804 -12.403 450 HH TYR 62 HH TYR 62 -17.552 8.191 -11.869 451 H LYS 63 H LYS 63 -10.612 12.298 -8.698 452 HA LYS 63 HA LYS 63 -7.919 12.361 -9.862 453 HB2 LYS 63 HB2 LYS 63 -9.226 14.027 -7.716 454 HB3 LYS 63 HB3 LYS 63 -7.482 13.994 -7.941 455 HG2 LYS 63 HG2 LYS 63 -8.832 14.474 -10.440 456 HG3 LYS 63 HG3 LYS 63 -9.322 15.647 -9.214 457 HD2 LYS 63 HD2 LYS 63 -7.387 16.720 -9.423 458 HD3 LYS 63 HD3 LYS 63 -6.496 15.240 -9.060 459 HE2 LYS 63 HE2 LYS 63 -6.809 14.592 -11.468 460 HE3 LYS 63 HE3 LYS 63 -7.438 16.214 -11.748 461 HZ1 LYS 63 HZ1 LYS 63 -5.204 16.376 -12.286 462 HZ2 LYS 63 HZ2 LYS 63 -4.705 15.400 -10.988 463 HZ3 LYS 63 HZ3 LYS 63 -5.252 16.976 -10.701 464 H ALA 64 H ALA 64 -6.474 11.013 -9.085 465 HA ALA 64 HA ALA 64 -6.725 10.007 -6.356 466 HB1 ALA 64 HB1 ALA 64 -7.360 7.964 -6.948 467 HB2 ALA 64 HB2 ALA 64 -7.445 8.479 -8.632 468 HB3 ALA 64 HB3 ALA 64 -5.945 7.813 -7.988 469 H THR 65 H THR 65 -4.799 9.531 -5.406 470 HA THR 65 HA THR 65 -2.383 9.770 -7.072 471 HB THR 65 HB THR 65 -1.650 10.652 -4.527 472 HG1 THR 65 HG1 THR 65 -4.041 11.988 -5.347 473 HG21 THR 65 HG21 THR 65 -2.339 12.746 -6.482 474 HG22 THR 65 HG22 THR 65 -1.297 11.460 -7.093 475 HG23 THR 65 HG23 THR 65 -0.804 12.401 -5.684 476 H LEU 66 H LEU 66 -0.918 8.188 -6.766 477 HA LEU 66 HA LEU 66 -1.504 5.975 -5.104 478 HB2 LEU 66 HB2 LEU 66 0.847 5.255 -5.702 479 HB3 LEU 66 HB3 LEU 66 -0.242 5.519 -7.049 480 HG LEU 66 HG LEU 66 1.394 7.857 -6.321 481 HD11 LEU 66 HD11 LEU 66 2.624 5.270 -6.621 482 HD12 LEU 66 HD12 LEU 66 3.127 6.363 -7.909 483 HD13 LEU 66 HD13 LEU 66 3.356 6.824 -6.222 484 HD21 LEU 66 HD21 LEU 66 0.391 6.485 -8.769 485 HD22 LEU 66 HD22 LEU 66 0.247 8.174 -8.280 486 HD23 LEU 66 HD23 LEU 66 1.780 7.563 -8.902 487 H ALA 67 H ALA 67 -1.441 6.100 -2.971 488 HA ALA 67 HA ALA 67 0.861 7.305 -1.649 489 HB1 ALA 67 HB1 ALA 67 -0.715 8.515 -0.085 490 HB2 ALA 67 HB2 ALA 67 -0.586 9.178 -1.713 491 HB3 ALA 67 HB3 ALA 67 -1.987 8.202 -1.266 492 H ASP 68 H ASP 68 1.502 5.401 -0.839 493 HA ASP 68 HA ASP 68 -0.298 3.417 0.109 494 HB2 ASP 68 HB2 ASP 68 2.060 3.118 -0.892 495 HB3 ASP 68 HB3 ASP 68 2.622 3.464 0.737 496 H ALA 69 H ALA 69 -0.589 2.647 2.187 497 HA ALA 69 HA ALA 69 0.415 4.098 4.466 498 HB1 ALA 69 HB1 ALA 69 -2.201 4.690 3.324 499 HB2 ALA 69 HB2 ALA 69 -2.294 4.189 5.012 500 HB3 ALA 69 HB3 ALA 69 -1.283 5.560 4.554
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