NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476603 | 2kxe | 16986 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.842 15.393 4.897 2 HA MET 1 HA MET 1 3.838 16.010 3.575 3 HB2 MET 1 2HB MET 1 2.892 13.155 3.873 4 HB3 MET 1 1HB MET 1 4.554 13.592 3.505 5 HG2 MET 1 2HG MET 1 4.318 15.064 5.656 6 HG3 MET 1 1HG MET 1 3.016 13.935 6.027 7 HE1 MET 1 2HE MET 1 6.445 13.279 8.030 8 HE2 MET 1 3HE MET 1 4.754 12.967 8.422 9 HE3 MET 1 1HE MET 1 5.235 14.536 7.777 10 H ASP 2 H ASP 2 1.736 13.601 1.985 11 HA ASP 2 HA ASP 2 2.393 14.761 -0.606 12 HB2 ASP 2 2HB ASP 2 3.927 12.696 0.202 13 HB3 ASP 2 1HB ASP 2 2.592 11.803 -0.519 14 H GLU 3 H GLU 3 1.196 13.302 -2.358 15 HA GLU 3 HA GLU 3 -1.551 13.597 -1.877 16 HB2 GLU 3 2HB GLU 3 0.008 12.156 -4.009 17 HB3 GLU 3 1HB GLU 3 -1.749 12.143 -3.993 18 HG2 GLU 3 2HG GLU 3 0.046 14.544 -4.230 19 HG3 GLU 3 1HG GLU 3 -0.993 13.857 -5.478 20 H PHE 4 H PHE 4 0.465 10.672 -2.004 21 HA PHE 4 HA PHE 4 -1.568 8.815 -1.503 22 HB2 PHE 4 2HB PHE 4 0.751 8.281 -2.290 23 HB3 PHE 4 1HB PHE 4 1.324 8.580 -0.653 24 HD1 PHE 4 2HD PHE 4 -1.728 6.812 -1.834 25 HD2 PHE 4 1HD PHE 4 2.027 6.529 0.150 26 HE1 PHE 4 2HE PHE 4 -2.221 4.475 -1.241 27 HE2 PHE 4 1HE PHE 4 1.542 4.193 0.746 28 HZ PHE 4 HZ PHE 4 -0.586 3.162 0.051 29 H VAL 5 H VAL 5 0.589 10.533 0.730 30 HA VAL 5 HA VAL 5 -0.388 9.295 3.083 31 HB VAL 5 HB VAL 5 0.878 12.029 2.892 32 HG11 VAL 5 1HG1 VAL 5 1.790 11.025 5.178 33 HG12 VAL 5 2HG1 VAL 5 0.272 10.132 5.089 34 HG13 VAL 5 3HG1 VAL 5 0.259 11.895 5.076 35 HG21 VAL 5 3HG2 VAL 5 3.019 10.807 3.318 36 HG22 VAL 5 1HG2 VAL 5 2.324 10.527 1.723 37 HG23 VAL 5 2HG2 VAL 5 2.162 9.304 2.981 38 H LYS 6 H LYS 6 -1.246 12.272 1.382 39 HA LYS 6 HA LYS 6 -3.099 13.167 3.357 40 HB2 LYS 6 2HB LYS 6 -2.321 13.988 0.611 41 HB3 LYS 6 1HB LYS 6 -3.910 14.493 1.170 42 HG2 LYS 6 2HG LYS 6 -3.070 15.971 2.647 43 HG3 LYS 6 1HG LYS 6 -1.690 14.947 3.051 44 HD2 LYS 6 2HD LYS 6 -0.695 15.538 0.842 45 HD3 LYS 6 1HD LYS 6 -2.019 16.681 0.605 46 HE2 LYS 6 2HE LYS 6 -1.284 18.080 2.302 47 HE3 LYS 6 1HE LYS 6 -0.341 16.808 3.078 48 HZ1 LYS 6 3HZ LYS 6 1.411 17.152 1.718 49 HZ2 LYS 6 1HZ LYS 6 0.750 18.705 1.599 50 HZ3 LYS 6 2HZ LYS 6 0.460 17.567 0.383 51 H GLY 7 H GLY 7 -3.295 11.114 0.535 52 HA2 GLY 7 2HA GLY 7 -6.088 11.149 0.171 53 HA3 GLY 7 1HA GLY 7 -5.007 9.858 -0.335 54 H LEU 8 H LEU 8 -4.025 9.184 2.256 55 HA LEU 8 HA LEU 8 -6.126 7.443 3.095 56 HB2 LEU 8 2HB LEU 8 -3.372 8.014 4.169 57 HB3 LEU 8 1HB LEU 8 -4.462 6.876 4.939 58 HG LEU 8 HG LEU 8 -3.536 6.637 2.077 59 HD11 LEU 8 1HD1 LEU 8 -1.951 5.017 2.792 60 HD12 LEU 8 2HD1 LEU 8 -2.541 5.081 4.453 61 HD13 LEU 8 3HD1 LEU 8 -1.692 6.465 3.766 62 HD21 LEU 8 3HD2 LEU 8 -5.370 5.312 2.089 63 HD22 LEU 8 1HD2 LEU 8 -5.346 5.104 3.839 64 HD23 LEU 8 2HD2 LEU 8 -4.248 4.168 2.826 65 H MET 9 H MET 9 -4.466 10.196 4.618 66 HA MET 9 HA MET 9 -5.867 10.220 7.022 67 HB2 MET 9 2HB MET 9 -3.886 11.747 5.904 68 HB3 MET 9 1HB MET 9 -5.229 12.881 5.951 69 HG2 MET 9 2HG MET 9 -4.172 13.237 7.969 70 HG3 MET 9 1HG MET 9 -5.487 12.146 8.400 71 HE1 MET 9 3HE MET 9 -1.568 11.171 7.002 72 HE2 MET 9 1HE MET 9 -1.049 11.619 8.626 73 HE3 MET 9 2HE MET 9 -1.961 12.766 7.644 74 H LYS 10 H LYS 10 -6.821 11.285 3.854 75 HA LYS 10 HA LYS 10 -8.893 13.042 4.509 76 HB2 LYS 10 2HB LYS 10 -8.247 11.331 2.154 77 HB3 LYS 10 1HB LYS 10 -9.858 12.027 2.251 78 HG2 LYS 10 2HG LYS 10 -9.019 14.229 2.208 79 HG3 LYS 10 1HG LYS 10 -7.368 13.686 2.512 80 HD2 LYS 10 2HD LYS 10 -7.747 12.356 0.272 81 HD3 LYS 10 1HD LYS 10 -8.972 13.598 0.000 82 HE2 LYS 10 2HE LYS 10 -6.088 14.163 0.673 83 HE3 LYS 10 1HE LYS 10 -6.741 14.142 -0.964 84 HZ1 LYS 10 3HZ LYS 10 -7.323 16.039 1.223 85 HZ2 LYS 10 1HZ LYS 10 -8.383 15.861 -0.083 86 HZ3 LYS 10 2HZ LYS 10 -6.792 16.369 -0.347 87 H ASN 11 H ASN 11 -8.754 9.551 4.512 88 HA ASN 11 HA ASN 11 -11.601 9.448 5.254 89 HB2 ASN 11 2HB ASN 11 -9.785 7.521 3.862 90 HB3 ASN 11 1HB ASN 11 -11.137 6.889 4.800 91 HD21 ASN 11 1HD2 ASN 11 -10.151 8.429 1.918 92 HD22 ASN 11 2HD2 ASN 11 -11.709 8.561 1.184 93 H GLY 12 H GLY 12 -9.370 10.154 7.037 94 HA2 GLY 12 2HA GLY 12 -8.731 9.736 9.200 95 HA3 GLY 12 1HA GLY 12 -10.142 8.696 9.307 96 H TYR 13 H TYR 13 -7.577 8.151 6.994 97 HA TYR 13 HA TYR 13 -6.897 5.682 8.443 98 HB2 TYR 13 2HB TYR 13 -6.931 6.398 5.532 99 HB3 TYR 13 1HB TYR 13 -5.888 5.099 6.102 100 HD1 TYR 13 2HD TYR 13 -9.355 6.167 5.584 101 HD2 TYR 13 1HD TYR 13 -6.827 3.014 6.910 102 HE1 TYR 13 2HE TYR 13 -11.258 4.613 5.496 103 HE2 TYR 13 1HE TYR 13 -8.723 1.451 6.825 104 HH TYR 13 HH TYR 13 -11.891 2.412 6.634 105 H LEU 14 H LEU 14 -4.830 5.247 9.026 106 HA LEU 14 HA LEU 14 -2.831 7.335 8.454 107 HB2 LEU 14 2HB LEU 14 -2.668 5.423 10.760 108 HB3 LEU 14 1HB LEU 14 -1.863 6.969 10.559 109 HG LEU 14 HG LEU 14 -4.838 6.658 10.967 110 HD11 LEU 14 1HD1 LEU 14 -3.992 7.805 13.227 111 HD12 LEU 14 2HD1 LEU 14 -2.585 6.802 12.873 112 HD13 LEU 14 3HD1 LEU 14 -4.176 6.060 13.044 113 HD21 LEU 14 3HD2 LEU 14 -4.408 8.704 9.872 114 HD22 LEU 14 1HD2 LEU 14 -2.981 9.020 10.859 115 HD23 LEU 14 2HD2 LEU 14 -4.586 9.101 11.581 116 H ILE 15 H ILE 15 -0.601 6.641 8.256 117 HA ILE 15 HA ILE 15 -0.200 3.822 7.594 118 HB ILE 15 HB ILE 15 -0.795 4.903 5.469 119 HG12 ILE 15 2HG1 ILE 15 2.159 4.261 5.554 120 HG13 ILE 15 1HG1 ILE 15 0.890 3.041 5.599 121 HG21 ILE 15 1HG2 ILE 15 1.711 6.501 5.478 122 HG22 ILE 15 2HG2 ILE 15 0.313 7.132 6.348 123 HG23 ILE 15 3HG2 ILE 15 0.192 6.779 4.624 124 HD11 ILE 15 3HD1 ILE 15 0.785 4.986 3.381 125 HD12 ILE 15 1HD1 ILE 15 0.415 3.261 3.402 126 HD13 ILE 15 2HD1 ILE 15 2.094 3.803 3.354 127 H THR 16 H THR 16 1.791 3.073 8.097 128 HA THR 16 HA THR 16 3.553 4.846 9.554 129 HB THR 16 HB THR 16 4.855 2.807 10.052 130 HG1 THR 16 1HG THR 16 2.855 1.451 8.535 131 HG21 THR 16 3HG2 THR 16 2.561 1.530 10.885 132 HG22 THR 16 1HG2 THR 16 2.037 3.204 10.701 133 HG23 THR 16 2HG2 THR 16 3.398 2.816 11.756 134 HA PRO 17 HA PRO 17 6.506 5.707 6.403 135 HB2 PRO 17 2HB PRO 17 8.865 5.406 7.787 136 HB3 PRO 17 1HB PRO 17 7.833 6.836 7.877 137 HG2 PRO 17 2HG PRO 17 8.020 4.511 9.750 138 HG3 PRO 17 1HG PRO 17 7.862 6.239 10.120 139 HD2 PRO 17 2HD PRO 17 5.760 4.573 10.256 140 HD3 PRO 17 1HD PRO 17 5.583 6.250 9.698 141 H SER 18 H SER 18 6.968 2.785 8.315 142 HA SER 18 HA SER 18 8.872 1.540 6.652 143 HB2 SER 18 2HB SER 18 8.086 -0.576 7.759 144 HB3 SER 18 1HB SER 18 8.534 0.707 8.883 145 HG SER 18 HG SER 18 6.568 -0.212 9.503 146 H ALA 19 H ALA 19 5.390 1.775 6.501 147 HA ALA 19 HA ALA 19 5.249 -0.155 4.317 148 HB1 ALA 19 1HB ALA 19 3.555 0.089 6.276 149 HB2 ALA 19 2HB ALA 19 2.964 -0.229 4.645 150 HB3 ALA 19 3HB ALA 19 2.899 1.405 5.303 151 H TYR 20 H TYR 20 5.091 3.282 4.906 152 HA TYR 20 HA TYR 20 3.969 4.058 2.429 153 HB2 TYR 20 2HB TYR 20 4.016 5.580 4.329 154 HB3 TYR 20 1HB TYR 20 5.775 5.574 4.324 155 HD1 TYR 20 1HD TYR 20 2.915 6.346 2.043 156 HD2 TYR 20 2HD TYR 20 6.869 7.319 3.276 157 HE1 TYR 20 1HE TYR 20 2.909 8.277 0.521 158 HE2 TYR 20 2HE TYR 20 6.873 9.251 1.756 159 HH TYR 20 HH TYR 20 5.251 10.727 0.649 160 H TYR 21 H TYR 21 7.306 3.628 3.524 161 HA TYR 21 HA TYR 21 8.607 4.616 1.256 162 HB2 TYR 21 2HB TYR 21 9.315 2.893 3.542 163 HB3 TYR 21 1HB TYR 21 10.306 2.662 2.105 164 HD1 TYR 21 2HD TYR 21 11.255 4.855 1.029 165 HD2 TYR 21 1HD TYR 21 9.877 4.566 5.043 166 HE1 TYR 21 2HE TYR 21 12.583 6.838 1.621 167 HE2 TYR 21 1HE TYR 21 11.199 6.549 5.646 168 HH TYR 21 HH TYR 21 13.535 7.648 4.416 169 H LEU 22 H LEU 22 6.995 1.584 1.820 170 HA LEU 22 HA LEU 22 8.079 0.445 -0.644 171 HB2 LEU 22 2HB LEU 22 6.150 -0.837 1.283 172 HB3 LEU 22 1HB LEU 22 7.106 -1.630 0.046 173 HG LEU 22 HG LEU 22 8.314 -0.240 2.432 174 HD11 LEU 22 1HD1 LEU 22 8.387 -2.240 3.596 175 HD12 LEU 22 2HD1 LEU 22 8.082 -3.207 2.153 176 HD13 LEU 22 3HD1 LEU 22 6.776 -2.270 2.878 177 HD21 LEU 22 3HD2 LEU 22 10.338 -0.977 1.710 178 HD22 LEU 22 1HD2 LEU 22 9.537 -0.827 0.144 179 HD23 LEU 22 2HD2 LEU 22 9.661 -2.405 0.923 180 H LEU 23 H LEU 23 4.896 1.044 0.845 181 HA LEU 23 HA LEU 23 3.328 0.378 -1.355 182 HB2 LEU 23 2HB LEU 23 2.922 2.193 0.990 183 HB3 LEU 23 1HB LEU 23 1.714 2.122 -0.279 184 HG LEU 23 HG LEU 23 2.642 -0.204 1.407 185 HD11 LEU 23 1HD1 LEU 23 0.841 0.087 2.730 186 HD12 LEU 23 2HD1 LEU 23 -0.162 0.700 1.415 187 HD13 LEU 23 3HD1 LEU 23 1.001 1.764 2.207 188 HD21 LEU 23 3HD2 LEU 23 0.665 -0.016 -0.853 189 HD22 LEU 23 1HD2 LEU 23 0.688 -1.347 0.304 190 HD23 LEU 23 2HD2 LEU 23 2.084 -1.056 -0.734 191 H VAL 24 H VAL 24 5.122 3.288 -0.660 192 HA VAL 24 HA VAL 24 3.869 5.051 -2.437 193 HB VAL 24 HB VAL 24 5.493 5.799 -0.757 194 HG11 VAL 24 1HG1 VAL 24 7.721 4.834 -2.511 195 HG12 VAL 24 2HG1 VAL 24 7.043 3.799 -1.254 196 HG13 VAL 24 3HG1 VAL 24 7.772 5.345 -0.824 197 HG21 VAL 24 3HG2 VAL 24 6.155 6.472 -3.618 198 HG22 VAL 24 1HG2 VAL 24 6.795 7.354 -2.231 199 HG23 VAL 24 2HG2 VAL 24 5.057 7.326 -2.534 200 H GLY 25 H GLY 25 6.584 2.815 -2.935 201 HA2 GLY 25 2HA GLY 25 7.126 3.547 -5.604 202 HA3 GLY 25 1HA GLY 25 7.563 2.020 -4.853 203 H HIS 26 H HIS 26 4.956 1.111 -4.240 204 HA HIS 26 HA HIS 26 4.216 0.073 -6.811 205 HB2 HIS 26 2HB HIS 26 4.120 -0.990 -4.354 206 HB3 HIS 26 1HB HIS 26 2.471 -0.385 -4.450 207 HD1 HIS 26 1HD HIS 26 4.741 -2.356 -6.799 208 HD2 HIS 26 2HD HIS 26 0.835 -2.311 -5.382 209 HE1 HIS 26 1HE HIS 26 3.605 -4.313 -7.897 210 HE2 HIS 26 2HE HIS 26 1.220 -4.212 -7.093 211 H PHE 27 H PHE 27 3.215 2.720 -4.875 212 HA PHE 27 HA PHE 27 0.605 2.912 -6.151 213 HB2 PHE 27 2HB PHE 27 0.839 3.430 -3.741 214 HB3 PHE 27 1HB PHE 27 1.917 4.762 -4.148 215 HD1 PHE 27 2HD PHE 27 -1.516 3.497 -4.849 216 HD2 PHE 27 1HD PHE 27 1.041 6.874 -4.433 217 HE1 PHE 27 2HE PHE 27 -3.458 4.992 -5.075 218 HE2 PHE 27 1HE PHE 27 -0.895 8.375 -4.657 219 HZ PHE 27 HZ PHE 27 -3.148 7.433 -4.980 220 H ASN 28 H ASN 28 3.640 4.739 -5.971 221 HA ASN 28 HA ASN 28 2.880 6.848 -7.662 222 HB2 ASN 28 2HB ASN 28 5.395 5.795 -6.551 223 HB3 ASN 28 1HB ASN 28 5.576 6.648 -8.083 224 HD21 ASN 28 1HD2 ASN 28 3.986 8.690 -8.053 225 HD22 ASN 28 2HD2 ASN 28 4.247 9.725 -6.694 226 H GLU 29 H GLU 29 4.469 3.756 -8.360 227 HA GLU 29 HA GLU 29 4.946 4.168 -11.083 228 HB2 GLU 29 2HB GLU 29 4.543 1.710 -9.407 229 HB3 GLU 29 1HB GLU 29 4.732 1.576 -11.151 230 HG2 GLU 29 2HG GLU 29 6.866 2.961 -10.824 231 HG3 GLU 29 1HG GLU 29 6.700 2.551 -9.117 232 H GLY 30 H GLY 30 2.037 3.282 -9.369 233 HA2 GLY 30 2HA GLY 30 -0.120 3.711 -10.288 234 HA3 GLY 30 1HA GLY 30 0.559 3.502 -11.896 235 H LYS 31 H LYS 31 1.255 1.266 -9.311 236 HA LYS 31 HA LYS 31 0.213 -0.916 -10.860 237 HB2 LYS 31 2HB LYS 31 1.996 -0.576 -8.624 238 HB3 LYS 31 1HB LYS 31 0.807 -1.818 -8.252 239 HG2 LYS 31 2HG LYS 31 2.231 -1.883 -10.871 240 HG3 LYS 31 1HG LYS 31 3.047 -2.449 -9.412 241 HD2 LYS 31 2HD LYS 31 0.912 -3.849 -9.033 242 HD3 LYS 31 1HD LYS 31 0.582 -3.527 -10.737 243 HE2 LYS 31 2HE LYS 31 3.111 -4.324 -10.965 244 HE3 LYS 31 1HE LYS 31 2.700 -5.186 -9.484 245 HZ1 LYS 31 3HZ LYS 31 1.766 -5.616 -12.200 246 HZ2 LYS 31 1HZ LYS 31 0.592 -5.772 -10.990 247 HZ3 LYS 31 2HZ LYS 31 1.988 -6.725 -10.942 248 H PHE 32 H PHE 32 -0.547 0.389 -7.625 249 HA PHE 32 HA PHE 32 -3.254 -0.733 -7.934 250 HB2 PHE 32 2HB PHE 32 -3.351 -1.223 -5.617 251 HB3 PHE 32 1HB PHE 32 -1.783 -1.809 -6.159 252 HD1 PHE 32 1HD PHE 32 0.209 -0.160 -5.847 253 HD2 PHE 32 2HD PHE 32 -3.481 0.115 -3.749 254 HE1 PHE 32 1HE PHE 32 1.309 1.171 -4.092 255 HE2 PHE 32 2HE PHE 32 -2.389 1.447 -1.992 256 HZ PHE 32 HZ PHE 32 0.008 1.977 -2.163 257 H SER 33 H SER 33 -4.987 0.459 -6.944 258 HA SER 33 HA SER 33 -4.446 3.345 -6.928 259 HB2 SER 33 2HB SER 33 -6.909 1.715 -7.506 260 HB3 SER 33 1HB SER 33 -7.028 3.431 -7.115 261 HG SER 33 HG SER 33 -5.430 3.709 -8.866 262 H LEU 34 H LEU 34 -5.671 4.679 -5.392 263 HA LEU 34 HA LEU 34 -5.280 3.867 -2.745 264 HB2 LEU 34 2HB LEU 34 -6.600 6.150 -4.094 265 HB3 LEU 34 1HB LEU 34 -7.058 5.859 -2.427 266 HG LEU 34 HG LEU 34 -4.214 6.252 -3.359 267 HD11 LEU 34 1HD1 LEU 34 -5.772 8.254 -1.780 268 HD12 LEU 34 2HD1 LEU 34 -5.893 8.223 -3.539 269 HD13 LEU 34 3HD1 LEU 34 -4.329 8.481 -2.767 270 HD21 LEU 34 3HD2 LEU 34 -5.021 5.003 -1.120 271 HD22 LEU 34 1HD2 LEU 34 -5.028 6.673 -0.555 272 HD23 LEU 34 2HD2 LEU 34 -3.552 5.974 -1.218 273 H ILE 35 H ILE 35 -8.153 3.806 -4.783 274 HA ILE 35 HA ILE 35 -10.058 3.196 -2.831 275 HB ILE 35 HB ILE 35 -10.637 3.838 -5.134 276 HG12 ILE 35 2HG1 ILE 35 -12.202 1.592 -5.406 277 HG13 ILE 35 1HG1 ILE 35 -11.779 1.545 -3.698 278 HG21 ILE 35 1HG2 ILE 35 -10.593 2.060 -6.894 279 HG22 ILE 35 2HG2 ILE 35 -9.582 1.102 -5.814 280 HG23 ILE 35 3HG2 ILE 35 -9.007 2.659 -6.410 281 HD11 ILE 35 3HD1 ILE 35 -12.519 4.204 -4.358 282 HD12 ILE 35 1HD1 ILE 35 -13.318 3.067 -3.273 283 HD13 ILE 35 2HD1 ILE 35 -13.748 3.104 -4.982 284 H GLU 36 H GLU 36 -7.745 1.169 -4.509 285 HA GLU 36 HA GLU 36 -8.895 -1.313 -3.668 286 HB2 GLU 36 2HB GLU 36 -6.041 -0.888 -4.537 287 HB3 GLU 36 1HB GLU 36 -7.003 -2.354 -4.662 288 HG2 GLU 36 2HG GLU 36 -8.477 -1.160 -6.280 289 HG3 GLU 36 1HG GLU 36 -7.334 0.182 -6.241 290 H LEU 37 H LEU 37 -6.352 0.810 -2.477 291 HA LEU 37 HA LEU 37 -5.286 -0.917 -0.530 292 HB2 LEU 37 2HB LEU 37 -4.271 1.227 -1.366 293 HB3 LEU 37 1HB LEU 37 -5.431 2.091 -0.373 294 HG LEU 37 HG LEU 37 -4.477 1.109 1.645 295 HD11 LEU 37 1HD1 LEU 37 -2.614 -0.288 -0.267 296 HD12 LEU 37 2HD1 LEU 37 -3.776 -1.035 0.831 297 HD13 LEU 37 3HD1 LEU 37 -2.368 -0.191 1.477 298 HD21 LEU 37 3HD2 LEU 37 -3.390 3.075 1.367 299 HD22 LEU 37 1HD2 LEU 37 -2.848 2.673 -0.263 300 HD23 LEU 37 2HD2 LEU 37 -2.008 2.003 1.136 301 H ILE 38 H ILE 38 -7.848 1.531 -0.339 302 HA ILE 38 HA ILE 38 -8.352 1.168 2.433 303 HB ILE 38 HB ILE 38 -10.274 2.232 0.364 304 HG12 ILE 38 2HG1 ILE 38 -8.180 3.706 1.980 305 HG13 ILE 38 1HG1 ILE 38 -8.120 3.413 0.245 306 HG21 ILE 38 1HG2 ILE 38 -10.128 2.370 3.354 307 HG22 ILE 38 2HG2 ILE 38 -11.484 1.904 2.326 308 HG23 ILE 38 3HG2 ILE 38 -10.992 3.595 2.424 309 HD11 ILE 38 3HD1 ILE 38 -9.258 5.590 1.603 310 HD12 ILE 38 1HD1 ILE 38 -10.589 4.680 0.889 311 HD13 ILE 38 2HD1 ILE 38 -9.271 5.259 -0.129 312 H LYS 39 H LYS 39 -9.608 -0.320 -0.487 313 HA LYS 39 HA LYS 39 -11.835 -1.609 0.665 314 HB2 LYS 39 2HB LYS 39 -10.912 -1.328 -1.866 315 HB3 LYS 39 1HB LYS 39 -10.450 -2.993 -1.552 316 HG2 LYS 39 2HG LYS 39 -12.533 -3.701 -1.823 317 HG3 LYS 39 1HG LYS 39 -13.152 -2.506 -0.683 318 HD2 LYS 39 2HD LYS 39 -14.175 -1.619 -2.471 319 HD3 LYS 39 1HD LYS 39 -12.587 -0.963 -2.866 320 HE2 LYS 39 2HE LYS 39 -13.271 -2.000 -4.840 321 HE3 LYS 39 1HE LYS 39 -12.192 -3.179 -4.094 322 HZ1 LYS 39 3HZ LYS 39 -15.147 -3.242 -3.816 323 HZ2 LYS 39 1HZ LYS 39 -14.047 -4.436 -3.335 324 HZ3 LYS 39 2HZ LYS 39 -14.292 -4.124 -4.979 325 H PHE 40 H PHE 40 -8.440 -2.425 0.511 326 HA PHE 40 HA PHE 40 -8.727 -5.149 1.297 327 HB2 PHE 40 2HB PHE 40 -6.722 -4.176 0.131 328 HB3 PHE 40 1HB PHE 40 -6.298 -3.385 1.646 329 HD1 PHE 40 1HD PHE 40 -7.017 -6.748 0.224 330 HD2 PHE 40 2HD PHE 40 -4.941 -4.475 3.164 331 HE1 PHE 40 1HE PHE 40 -5.822 -8.775 0.941 332 HE2 PHE 40 2HE PHE 40 -3.741 -6.499 3.885 333 HZ PHE 40 HZ PHE 40 -4.179 -8.652 2.773 334 H ALA 41 H ALA 41 -7.780 -2.205 3.063 335 HA ALA 41 HA ALA 41 -7.480 -3.386 5.580 336 HB1 ALA 41 1HB ALA 41 -8.418 -0.567 5.099 337 HB2 ALA 41 2HB ALA 41 -6.745 -1.081 4.889 338 HB3 ALA 41 3HB ALA 41 -7.508 -1.187 6.476 339 H LYS 42 H LYS 42 -10.327 -2.346 3.851 340 HA LYS 42 HA LYS 42 -12.146 -2.164 5.965 341 HB2 LYS 42 2HB LYS 42 -12.568 -3.000 3.094 342 HB3 LYS 42 1HB LYS 42 -13.876 -2.677 4.224 343 HG2 LYS 42 2HG LYS 42 -11.915 -0.522 4.058 344 HG3 LYS 42 1HG LYS 42 -12.744 -0.855 2.537 345 HD2 LYS 42 2HD LYS 42 -14.904 -0.628 3.657 346 HD3 LYS 42 1HD LYS 42 -14.082 -0.324 5.190 347 HE2 LYS 42 2HE LYS 42 -14.775 1.779 4.259 348 HE3 LYS 42 1HE LYS 42 -13.018 1.669 4.163 349 HZ1 LYS 42 3HZ LYS 42 -13.920 2.531 2.116 350 HZ2 LYS 42 1HZ LYS 42 -14.928 1.183 1.940 351 HZ3 LYS 42 2HZ LYS 42 -13.250 1.005 1.833 352 H SER 43 H SER 43 -11.274 -4.953 3.944 353 HA SER 43 HA SER 43 -13.029 -6.796 5.124 354 HB2 SER 43 2HB SER 43 -11.336 -6.898 3.016 355 HB3 SER 43 1HB SER 43 -10.412 -7.830 4.194 356 HG SER 43 HG SER 43 -12.375 -9.083 4.498 357 H ARG 44 H ARG 44 -9.838 -5.685 6.051 358 HA ARG 44 HA ARG 44 -9.517 -7.682 8.105 359 HB2 ARG 44 2HB ARG 44 -7.937 -5.294 7.212 360 HB3 ARG 44 1HB ARG 44 -7.564 -6.081 8.739 361 HG2 ARG 44 2HG ARG 44 -7.804 -8.046 6.667 362 HG3 ARG 44 1HG ARG 44 -6.675 -6.783 6.176 363 HD2 ARG 44 2HD ARG 44 -5.515 -8.578 7.345 364 HD3 ARG 44 1HD ARG 44 -5.438 -7.075 8.265 365 HE ARG 44 HE ARG 44 -6.646 -8.073 9.934 366 HH11 ARG 44 1HH1 ARG 44 -6.894 -10.015 7.045 367 HH12 ARG 44 2HH1 ARG 44 -7.689 -11.328 7.845 368 HH21 ARG 44 1HH2 ARG 44 -7.690 -9.800 10.991 369 HH22 ARG 44 2HH2 ARG 44 -8.141 -11.207 10.085 370 H GLU 45 H GLU 45 -11.065 -4.648 7.845 371 HA GLU 45 HA GLU 45 -12.186 -3.347 9.331 372 HB2 GLU 45 2HB GLU 45 -11.985 -5.957 10.734 373 HB3 GLU 45 1HB GLU 45 -12.420 -4.564 11.714 374 HG2 GLU 45 2HG GLU 45 -14.072 -4.261 9.577 375 HG3 GLU 45 1HG GLU 45 -13.972 -6.017 9.706 376 H THR 46 H THR 46 -9.841 -2.375 9.048 377 HA THR 46 HA THR 46 -9.071 -1.479 11.696 378 HB THR 46 HB THR 46 -7.588 -3.384 11.437 379 HG1 THR 46 1HG THR 46 -6.116 -2.144 12.299 380 HG21 THR 46 3HG2 THR 46 -6.488 -2.088 8.950 381 HG22 THR 46 1HG2 THR 46 -7.696 -3.372 8.910 382 HG23 THR 46 2HG2 THR 46 -6.105 -3.679 9.605 383 H PHE 47 H PHE 47 -7.824 0.460 11.675 384 HA PHE 47 HA PHE 47 -7.916 1.874 9.089 385 HB2 PHE 47 2HB PHE 47 -8.168 3.958 10.420 386 HB3 PHE 47 1HB PHE 47 -9.502 2.833 10.648 387 HD1 PHE 47 2HD PHE 47 -9.563 1.428 12.727 388 HD2 PHE 47 1HD PHE 47 -6.869 4.685 12.233 389 HE1 PHE 47 2HE PHE 47 -9.219 1.508 15.162 390 HE2 PHE 47 1HE PHE 47 -6.519 4.771 14.666 391 HZ PHE 47 HZ PHE 47 -7.695 3.181 16.135 392 H ILE 48 H ILE 48 -5.719 0.256 10.089 393 HA ILE 48 HA ILE 48 -3.651 2.338 10.092 394 HB ILE 48 HB ILE 48 -3.478 -0.117 11.835 395 HG12 ILE 48 2HG1 ILE 48 -3.937 2.709 12.787 396 HG13 ILE 48 1HG1 ILE 48 -5.262 1.585 12.505 397 HG21 ILE 48 1HG2 ILE 48 -1.501 0.829 12.712 398 HG22 ILE 48 2HG2 ILE 48 -1.813 2.384 11.941 399 HG23 ILE 48 3HG2 ILE 48 -1.375 0.984 10.959 400 HD11 ILE 48 3HD1 ILE 48 -4.921 0.560 14.443 401 HD12 ILE 48 1HD1 ILE 48 -3.865 1.913 14.851 402 HD13 ILE 48 2HD1 ILE 48 -3.184 0.438 14.166 403 H ILE 49 H ILE 49 -2.531 2.042 8.286 404 HA ILE 49 HA ILE 49 -2.249 -0.642 7.168 405 HB ILE 49 HB ILE 49 -1.339 1.963 5.948 406 HG12 ILE 49 2HG1 ILE 49 -3.951 0.485 5.549 407 HG13 ILE 49 1HG1 ILE 49 -3.762 2.020 6.390 408 HG21 ILE 49 1HG2 ILE 49 -1.910 0.304 3.895 409 HG22 ILE 49 2HG2 ILE 49 -1.358 -0.855 5.104 410 HG23 ILE 49 3HG2 ILE 49 -0.308 0.473 4.611 411 HD11 ILE 49 3HD1 ILE 49 -2.628 2.587 3.994 412 HD12 ILE 49 1HD1 ILE 49 -4.312 2.901 4.414 413 HD13 ILE 49 2HD1 ILE 49 -3.883 1.439 3.528 414 H ASP 50 H ASP 50 -0.679 -1.642 8.366 415 HA ASP 50 HA ASP 50 1.923 -0.306 8.614 416 HB2 ASP 50 2HB ASP 50 0.576 -1.516 10.557 417 HB3 ASP 50 1HB ASP 50 1.369 -2.942 9.898 418 H ASP 51 H ASP 51 3.787 -2.066 8.594 419 HA ASP 51 HA ASP 51 4.155 -2.852 5.958 420 HB2 ASP 51 2HB ASP 51 5.779 -2.695 8.095 421 HB3 ASP 51 1HB ASP 51 5.552 -4.441 8.040 422 H GLU 52 H GLU 52 2.781 -4.617 8.664 423 HA GLU 52 HA GLU 52 2.785 -7.187 7.532 424 HB2 GLU 52 2HB GLU 52 2.091 -6.198 9.945 425 HB3 GLU 52 1HB GLU 52 0.493 -6.446 9.256 426 HG2 GLU 52 2HG GLU 52 1.794 -8.790 8.660 427 HG3 GLU 52 1HG GLU 52 2.421 -8.375 10.255 428 H ILE 53 H ILE 53 0.458 -4.536 7.334 429 HA ILE 53 HA ILE 53 -1.489 -6.025 5.867 430 HB ILE 53 HB ILE 53 -1.206 -3.023 5.985 431 HG12 ILE 53 2HG1 ILE 53 -1.234 -4.014 8.253 432 HG13 ILE 53 1HG1 ILE 53 -2.687 -3.074 7.918 433 HG21 ILE 53 1HG2 ILE 53 -3.240 -4.897 4.971 434 HG22 ILE 53 2HG2 ILE 53 -2.857 -3.251 4.466 435 HG23 ILE 53 3HG2 ILE 53 -3.850 -3.526 5.897 436 HD11 ILE 53 3HD1 ILE 53 -3.494 -5.535 7.155 437 HD12 ILE 53 1HD1 ILE 53 -3.730 -4.861 8.768 438 HD13 ILE 53 2HD1 ILE 53 -2.369 -5.938 8.452 439 H ALA 54 H ALA 54 1.065 -3.734 5.001 440 HA ALA 54 HA ALA 54 0.477 -3.480 2.278 441 HB1 ALA 54 1HB ALA 54 2.025 -1.932 2.847 442 HB2 ALA 54 2HB ALA 54 3.137 -3.165 2.256 443 HB3 ALA 54 3HB ALA 54 2.839 -3.001 3.987 444 H ASN 55 H ASN 55 2.383 -5.886 4.021 445 HA ASN 55 HA ASN 55 3.414 -7.190 1.724 446 HB2 ASN 55 2HB ASN 55 4.165 -7.340 4.216 447 HB3 ASN 55 1HB ASN 55 2.947 -8.608 4.329 448 HD21 ASN 55 1HD2 ASN 55 6.020 -7.691 3.052 449 HD22 ASN 55 2HD2 ASN 55 6.480 -9.249 2.466 450 H GLU 56 H GLU 56 0.658 -7.906 3.853 451 HA GLU 56 HA GLU 56 -0.193 -10.207 2.452 452 HB2 GLU 56 2HB GLU 56 -1.331 -8.423 4.532 453 HB3 GLU 56 1HB GLU 56 -2.477 -9.386 3.610 454 HG2 GLU 56 2HG GLU 56 -0.121 -10.806 4.677 455 HG3 GLU 56 1HG GLU 56 -1.305 -10.238 5.852 456 H PHE 57 H PHE 57 -0.800 -6.793 2.032 457 HA PHE 57 HA PHE 57 -3.048 -6.965 0.349 458 HB2 PHE 57 2HB PHE 57 -2.350 -4.868 1.414 459 HB3 PHE 57 1HB PHE 57 -0.885 -4.850 0.440 460 HD1 PHE 57 1HD PHE 57 -4.501 -5.400 -0.312 461 HD2 PHE 57 2HD PHE 57 -0.954 -3.201 -1.144 462 HE1 PHE 57 1HE PHE 57 -5.690 -4.157 -2.070 463 HE2 PHE 57 2HE PHE 57 -2.137 -1.952 -2.903 464 HZ PHE 57 HZ PHE 57 -4.508 -2.429 -3.369 465 H LEU 58 H LEU 58 0.331 -6.279 -0.585 466 HA LEU 58 HA LEU 58 -0.016 -6.572 -3.327 467 HB2 LEU 58 2HB LEU 58 2.475 -7.238 -1.761 468 HB3 LEU 58 1HB LEU 58 2.392 -6.833 -3.464 469 HG LEU 58 HG LEU 58 1.793 -4.973 -1.163 470 HD11 LEU 58 1HD1 LEU 58 3.907 -4.387 -3.131 471 HD12 LEU 58 2HD1 LEU 58 4.228 -5.720 -2.022 472 HD13 LEU 58 3HD1 LEU 58 3.864 -4.114 -1.388 473 HD21 LEU 58 3HD2 LEU 58 0.356 -4.547 -3.115 474 HD22 LEU 58 1HD2 LEU 58 1.792 -4.420 -4.128 475 HD23 LEU 58 2HD2 LEU 58 1.514 -3.246 -2.842 476 H LYS 59 H LYS 59 0.436 -8.981 -0.842 477 HA LYS 59 HA LYS 59 1.014 -11.132 -2.642 478 HB2 LYS 59 2HB LYS 59 0.650 -10.789 0.257 479 HB3 LYS 59 1HB LYS 59 0.127 -12.350 -0.360 480 HG2 LYS 59 2HG LYS 59 2.802 -11.296 -1.146 481 HG3 LYS 59 1HG LYS 59 2.577 -11.994 0.460 482 HD2 LYS 59 2HD LYS 59 3.300 -13.775 -0.902 483 HD3 LYS 59 1HD LYS 59 1.559 -14.001 -0.722 484 HE2 LYS 59 2HE LYS 59 1.119 -13.295 -2.897 485 HE3 LYS 59 1HE LYS 59 2.677 -12.482 -3.048 486 HZ1 LYS 59 3HZ LYS 59 2.073 -15.363 -3.217 487 HZ2 LYS 59 1HZ LYS 59 3.631 -14.836 -2.822 488 HZ3 LYS 59 2HZ LYS 59 2.938 -14.393 -4.299 489 H SER 60 H SER 60 -1.863 -9.714 -1.277 490 HA SER 60 HA SER 60 -3.586 -11.902 -1.988 491 HB2 SER 60 2HB SER 60 -3.909 -9.229 -0.741 492 HB3 SER 60 1HB SER 60 -5.314 -9.874 -1.590 493 HG SER 60 HG SER 60 -3.854 -11.269 0.405 494 H ILE 61 H ILE 61 -3.123 -8.589 -3.215 495 HA ILE 61 HA ILE 61 -4.904 -8.810 -5.377 496 HB ILE 61 HB ILE 61 -3.735 -6.865 -6.332 497 HG12 ILE 61 2HG1 ILE 61 -1.881 -6.937 -3.961 498 HG13 ILE 61 1HG1 ILE 61 -1.449 -7.716 -5.480 499 HG21 ILE 61 1HG2 ILE 61 -4.709 -6.992 -3.555 500 HG22 ILE 61 2HG2 ILE 61 -5.261 -6.008 -4.912 501 HG23 ILE 61 3HG2 ILE 61 -3.831 -5.529 -3.997 502 HD11 ILE 61 3HD1 ILE 61 -2.108 -4.801 -5.135 503 HD12 ILE 61 1HD1 ILE 61 -1.627 -5.590 -6.637 504 HD13 ILE 61 2HD1 ILE 61 -0.491 -5.485 -5.291 505 H GLY 62 H GLY 62 -1.606 -9.852 -4.971 506 HA2 GLY 62 2HA GLY 62 -0.583 -11.506 -6.301 507 HA3 GLY 62 1HA GLY 62 -1.740 -11.163 -7.578 508 H ALA 63 H ALA 63 0.491 -9.052 -5.784 509 HA ALA 63 HA ALA 63 1.709 -8.318 -8.368 510 HB1 ALA 63 1HB ALA 63 1.704 -6.090 -7.834 511 HB2 ALA 63 2HB ALA 63 1.692 -6.392 -6.097 512 HB3 ALA 63 3HB ALA 63 0.218 -6.610 -7.040 513 H GLU 64 H GLU 64 3.938 -7.443 -8.170 514 HA GLU 64 HA GLU 64 6.118 -7.710 -7.592 515 HB2 GLU 64 2HB GLU 64 4.678 -7.391 -5.064 516 HB3 GLU 64 1HB GLU 64 6.203 -8.245 -4.887 517 HG2 GLU 64 2HG GLU 64 6.991 -6.151 -4.647 518 HG3 GLU 64 1HG GLU 64 7.040 -6.225 -6.407 519 H VAL 65 H VAL 65 4.769 -9.978 -8.546 520 HA VAL 65 HA VAL 65 5.212 -12.290 -6.986 521 HB VAL 65 HB VAL 65 5.011 -13.533 -9.136 522 HG11 VAL 65 1HG1 VAL 65 2.689 -12.923 -9.555 523 HG12 VAL 65 2HG1 VAL 65 2.924 -11.398 -8.701 524 HG13 VAL 65 3HG1 VAL 65 3.035 -12.926 -7.825 525 HG21 VAL 65 3HG2 VAL 65 4.137 -11.718 -10.968 526 HG22 VAL 65 1HG2 VAL 65 5.757 -12.414 -10.934 527 HG23 VAL 65 2HG2 VAL 65 5.459 -10.838 -10.202 528 H GLU 66 H GLU 66 7.372 -11.866 -6.178 529 HA GLU 66 HA GLU 66 9.406 -12.921 -8.002 530 HB2 GLU 66 2HB GLU 66 9.951 -10.574 -6.186 531 HB3 GLU 66 1HB GLU 66 11.024 -11.263 -7.397 532 HG2 GLU 66 2HG GLU 66 9.438 -10.549 -9.150 533 HG3 GLU 66 1HG GLU 66 8.458 -9.776 -7.906 534 H LEU 67 H LEU 67 9.405 -14.879 -6.926 535 HA LEU 67 HA LEU 67 10.408 -14.799 -4.157 536 HB2 LEU 67 2HB LEU 67 8.297 -16.475 -5.422 537 HB3 LEU 67 1HB LEU 67 9.306 -17.219 -4.198 538 HG LEU 67 HG LEU 67 8.657 -15.371 -2.634 539 HD11 LEU 67 1HD1 LEU 67 7.891 -13.570 -3.784 540 HD12 LEU 67 2HD1 LEU 67 6.346 -14.364 -3.477 541 HD13 LEU 67 3HD1 LEU 67 7.137 -14.551 -5.042 542 HD21 LEU 67 3HD2 LEU 67 7.427 -17.707 -3.144 543 HD22 LEU 67 1HD2 LEU 67 6.096 -16.590 -3.448 544 HD23 LEU 67 2HD2 LEU 67 6.910 -16.588 -1.882 545 HA PRO 68 HA PRO 68 13.887 -17.097 -5.600 546 HB2 PRO 68 2HB PRO 68 14.574 -18.452 -3.351 547 HB3 PRO 68 1HB PRO 68 14.845 -16.717 -3.544 548 HG2 PRO 68 2HG PRO 68 12.637 -18.140 -2.111 549 HG3 PRO 68 1HG PRO 68 13.564 -16.715 -1.604 550 HD2 PRO 68 2HD PRO 68 11.080 -16.534 -2.666 551 HD3 PRO 68 1HD PRO 68 12.316 -15.283 -2.911 552 H GLN 69 H GLN 69 11.253 -18.797 -4.026 553 HA GLN 69 HA GLN 69 12.062 -21.289 -5.362 554 HB2 GLN 69 2HB GLN 69 11.581 -21.098 -2.795 555 HB3 GLN 69 1HB GLN 69 9.897 -21.151 -3.295 556 HG2 GLN 69 2HG GLN 69 10.005 -23.353 -3.394 557 HG3 GLN 69 1HG GLN 69 11.232 -23.233 -4.653 558 HE21 GLN 69 1HE2 GLN 69 12.057 -25.216 -3.755 559 HE22 GLN 69 2HE2 GLN 69 13.091 -25.166 -2.371 560 H GLU 70 H GLU 70 9.007 -19.691 -4.434 561 HA GLU 70 HA GLU 70 7.023 -19.454 -5.520 562 HB2 GLU 70 2HB GLU 70 8.518 -18.265 -7.143 563 HB3 GLU 70 1HB GLU 70 8.648 -19.768 -8.048 564 HG2 GLU 70 2HG GLU 70 6.961 -18.853 -9.219 565 HG3 GLU 70 1HG GLU 70 5.990 -19.573 -7.936 566 H ILE 71 H ILE 71 6.020 -21.324 -4.854 567 HA ILE 71 HA ILE 71 6.227 -23.647 -6.653 568 HB ILE 71 HB ILE 71 5.155 -23.652 -3.833 569 HG12 ILE 71 2HG1 ILE 71 7.537 -23.017 -3.848 570 HG13 ILE 71 1HG1 ILE 71 7.295 -24.615 -3.151 571 HG21 ILE 71 1HG2 ILE 71 4.725 -25.467 -5.765 572 HG22 ILE 71 2HG2 ILE 71 4.837 -25.876 -4.053 573 HG23 ILE 71 3HG2 ILE 71 6.239 -26.082 -5.103 574 HD11 ILE 71 3HD1 ILE 71 7.803 -24.707 -6.007 575 HD12 ILE 71 1HD1 ILE 71 8.578 -25.581 -4.686 576 HD13 ILE 71 2HD1 ILE 71 9.110 -23.950 -5.097 577 H LYS 72 H LYS 72 3.780 -22.336 -4.410 578 HA LYS 72 HA LYS 72 1.859 -21.962 -6.503 579 HB2 LYS 72 2HB LYS 72 1.904 -24.474 -4.986 580 HB3 LYS 72 1HB LYS 72 0.343 -23.665 -4.969 581 HG2 LYS 72 2HG LYS 72 -0.035 -24.047 -7.160 582 HG3 LYS 72 1HG LYS 72 1.667 -23.880 -7.596 583 HD2 LYS 72 2HD LYS 72 1.871 -26.129 -6.222 584 HD3 LYS 72 1HD LYS 72 0.166 -26.272 -6.654 585 HE2 LYS 72 2HE LYS 72 0.826 -25.889 -9.037 586 HE3 LYS 72 1HE LYS 72 2.511 -25.984 -8.524 587 HZ1 LYS 72 3HZ LYS 72 0.736 -28.178 -7.761 588 HZ2 LYS 72 1HZ LYS 72 2.376 -28.209 -8.172 589 HZ3 LYS 72 2HZ LYS 72 1.204 -28.083 -9.383 Start of MODEL 2 1 H MET 1 H MET 1 2.288 16.638 3.062 2 HA MET 1 HA MET 1 2.638 17.267 0.693 3 HB2 MET 1 2HB MET 1 4.505 15.921 2.578 4 HB3 MET 1 1HB MET 1 5.106 16.257 0.960 5 HG2 MET 1 2HG MET 1 3.744 18.534 2.136 6 HG3 MET 1 1HG MET 1 5.107 17.983 3.106 7 HE1 MET 1 2HE MET 1 4.403 20.718 1.239 8 HE2 MET 1 3HE MET 1 3.954 19.753 -0.167 9 HE3 MET 1 1HE MET 1 5.366 20.807 -0.235 10 H ASP 2 H ASP 2 1.087 14.785 0.504 11 HA ASP 2 HA ASP 2 2.097 13.856 -1.981 12 HB2 ASP 2 2HB ASP 2 3.326 12.615 0.113 13 HB3 ASP 2 1HB ASP 2 1.960 11.537 -0.165 14 H GLU 3 H GLU 3 0.541 12.801 -3.159 15 HA GLU 3 HA GLU 3 -2.136 13.106 -2.402 16 HB2 GLU 3 2HB GLU 3 -1.060 11.214 -4.498 17 HB3 GLU 3 1HB GLU 3 -2.689 11.872 -4.411 18 HG2 GLU 3 2HG GLU 3 -0.587 13.901 -4.482 19 HG3 GLU 3 1HG GLU 3 -0.656 12.878 -5.916 20 H PHE 4 H PHE 4 0.086 10.442 -2.009 21 HA PHE 4 HA PHE 4 -1.831 8.439 -1.427 22 HB2 PHE 4 2HB PHE 4 0.621 8.109 -2.044 23 HB3 PHE 4 1HB PHE 4 0.995 8.511 -0.372 24 HD1 PHE 4 1HD PHE 4 -1.702 6.432 -1.889 25 HD2 PHE 4 2HD PHE 4 1.672 6.593 0.699 26 HE1 PHE 4 1HE PHE 4 -2.089 4.089 -1.245 27 HE2 PHE 4 2HE PHE 4 1.291 4.250 1.347 28 HZ PHE 4 HZ PHE 4 -0.591 2.995 0.375 29 H VAL 5 H VAL 5 0.372 10.177 0.781 30 HA VAL 5 HA VAL 5 -0.820 9.299 3.152 31 HB VAL 5 HB VAL 5 0.286 11.230 4.236 32 HG11 VAL 5 1HG1 VAL 5 2.388 10.337 4.060 33 HG12 VAL 5 2HG1 VAL 5 2.289 10.165 2.308 34 HG13 VAL 5 3HG1 VAL 5 1.435 9.032 3.354 35 HG21 VAL 5 3HG2 VAL 5 1.779 12.627 2.729 36 HG22 VAL 5 1HG2 VAL 5 0.051 12.977 2.668 37 HG23 VAL 5 2HG2 VAL 5 0.805 12.032 1.385 38 H LYS 6 H LYS 6 -1.451 12.171 1.183 39 HA LYS 6 HA LYS 6 -3.359 13.295 2.976 40 HB2 LYS 6 2HB LYS 6 -1.992 14.260 0.849 41 HB3 LYS 6 1HB LYS 6 -3.557 13.968 0.104 42 HG2 LYS 6 2HG LYS 6 -4.387 15.243 2.286 43 HG3 LYS 6 1HG LYS 6 -2.770 15.938 2.165 44 HD2 LYS 6 2HD LYS 6 -3.207 16.920 0.111 45 HD3 LYS 6 1HD LYS 6 -4.533 15.812 -0.249 46 HE2 LYS 6 2HE LYS 6 -5.598 17.832 0.239 47 HE3 LYS 6 1HE LYS 6 -5.729 16.907 1.734 48 HZ1 LYS 6 3HZ LYS 6 -4.229 19.330 1.178 49 HZ2 LYS 6 1HZ LYS 6 -3.440 18.192 2.148 50 HZ3 LYS 6 2HZ LYS 6 -4.945 18.806 2.618 51 H GLY 7 H GLY 7 -3.601 11.321 0.041 52 HA2 GLY 7 2HA GLY 7 -6.421 11.351 -0.135 53 HA3 GLY 7 1HA GLY 7 -5.360 10.157 -0.867 54 H LEU 8 H LEU 8 -4.219 9.447 1.783 55 HA LEU 8 HA LEU 8 -6.203 7.471 2.474 56 HB2 LEU 8 2HB LEU 8 -3.349 7.962 3.105 57 HB3 LEU 8 1HB LEU 8 -4.272 7.061 4.292 58 HG LEU 8 HG LEU 8 -4.472 6.170 1.465 59 HD11 LEU 8 1HD1 LEU 8 -2.092 5.433 3.148 60 HD12 LEU 8 2HD1 LEU 8 -2.040 6.687 1.910 61 HD13 LEU 8 3HD1 LEU 8 -2.409 5.022 1.462 62 HD21 LEU 8 3HD2 LEU 8 -4.612 4.998 4.201 63 HD22 LEU 8 1HD2 LEU 8 -4.178 3.956 2.845 64 HD23 LEU 8 2HD2 LEU 8 -5.716 4.819 2.838 65 H MET 9 H MET 9 -4.465 10.028 4.244 66 HA MET 9 HA MET 9 -5.791 9.780 6.674 67 HB2 MET 9 2HB MET 9 -4.301 11.967 5.308 68 HB3 MET 9 1HB MET 9 -5.267 12.393 6.715 69 HG2 MET 9 2HG MET 9 -2.952 11.943 7.313 70 HG3 MET 9 1HG MET 9 -4.052 10.790 8.067 71 HE1 MET 9 3HE MET 9 -0.911 10.732 7.680 72 HE2 MET 9 1HE MET 9 -0.775 11.104 5.961 73 HE3 MET 9 2HE MET 9 -0.315 9.509 6.556 74 H LYS 10 H LYS 10 -6.809 11.282 3.701 75 HA LYS 10 HA LYS 10 -8.850 12.934 4.671 76 HB2 LYS 10 2HB LYS 10 -8.175 11.688 2.066 77 HB3 LYS 10 1HB LYS 10 -9.841 12.214 2.270 78 HG2 LYS 10 2HG LYS 10 -8.865 14.452 3.008 79 HG3 LYS 10 1HG LYS 10 -7.340 13.862 2.343 80 HD2 LYS 10 2HD LYS 10 -8.144 13.841 0.173 81 HD3 LYS 10 1HD LYS 10 -9.829 13.744 0.691 82 HE2 LYS 10 2HE LYS 10 -8.415 16.166 1.555 83 HE3 LYS 10 1HE LYS 10 -8.598 16.006 -0.191 84 HZ1 LYS 10 3HZ LYS 10 -10.949 15.832 0.049 85 HZ2 LYS 10 1HZ LYS 10 -10.448 17.194 0.919 86 HZ3 LYS 10 2HZ LYS 10 -10.842 15.765 1.735 87 H ASN 11 H ASN 11 -8.762 9.490 4.018 88 HA ASN 11 HA ASN 11 -11.606 9.260 4.693 89 HB2 ASN 11 2HB ASN 11 -9.646 7.397 3.369 90 HB3 ASN 11 1HB ASN 11 -11.182 6.812 4.000 91 HD21 ASN 11 1HD2 ASN 11 -9.907 9.438 1.983 92 HD22 ASN 11 2HD2 ASN 11 -11.175 9.382 0.810 93 H GLY 12 H GLY 12 -9.501 9.853 6.669 94 HA2 GLY 12 2HA GLY 12 -8.955 9.244 8.812 95 HA3 GLY 12 1HA GLY 12 -10.376 8.213 8.762 96 H TYR 13 H TYR 13 -7.228 8.168 7.087 97 HA TYR 13 HA TYR 13 -6.783 5.478 8.189 98 HB2 TYR 13 2HB TYR 13 -6.570 6.378 5.327 99 HB3 TYR 13 1HB TYR 13 -5.653 4.996 5.915 100 HD1 TYR 13 1HD TYR 13 -6.801 2.945 6.607 101 HD2 TYR 13 2HD TYR 13 -8.960 6.254 5.026 102 HE1 TYR 13 1HE TYR 13 -8.752 1.492 6.247 103 HE2 TYR 13 2HE TYR 13 -10.916 4.811 4.663 104 HH TYR 13 HH TYR 13 -10.830 1.578 4.583 105 H LEU 14 H LEU 14 -4.562 4.839 8.351 106 HA LEU 14 HA LEU 14 -2.618 7.029 8.131 107 HB2 LEU 14 2HB LEU 14 -2.852 5.178 10.505 108 HB3 LEU 14 1HB LEU 14 -1.667 6.454 10.297 109 HG LEU 14 HG LEU 14 -4.639 6.936 10.493 110 HD11 LEU 14 1HD1 LEU 14 -3.160 6.007 12.535 111 HD12 LEU 14 2HD1 LEU 14 -4.501 7.135 12.735 112 HD13 LEU 14 3HD1 LEU 14 -2.843 7.734 12.688 113 HD21 LEU 14 3HD2 LEU 14 -2.879 8.574 9.373 114 HD22 LEU 14 1HD2 LEU 14 -2.580 8.996 11.059 115 HD23 LEU 14 2HD2 LEU 14 -4.199 9.167 10.381 116 H ILE 15 H ILE 15 -0.338 6.218 8.332 117 HA ILE 15 HA ILE 15 0.081 3.422 7.698 118 HB ILE 15 HB ILE 15 -0.432 4.375 5.495 119 HG12 ILE 15 2HG1 ILE 15 2.503 3.716 5.823 120 HG13 ILE 15 1HG1 ILE 15 1.205 2.533 5.706 121 HG21 ILE 15 1HG2 ILE 15 1.193 6.529 6.446 122 HG22 ILE 15 2HG2 ILE 15 0.176 6.451 5.010 123 HG23 ILE 15 3HG2 ILE 15 1.852 5.914 4.932 124 HD11 ILE 15 3HD1 ILE 15 2.329 2.736 3.591 125 HD12 ILE 15 1HD1 ILE 15 2.052 4.478 3.575 126 HD13 ILE 15 2HD1 ILE 15 0.687 3.368 3.451 127 H THR 16 H THR 16 2.119 2.723 8.195 128 HA THR 16 HA THR 16 3.769 4.565 9.703 129 HB THR 16 HB THR 16 5.187 2.450 10.051 130 HG1 THR 16 1HG THR 16 4.128 1.349 8.224 131 HG21 THR 16 3HG2 THR 16 3.577 1.543 11.708 132 HG22 THR 16 1HG2 THR 16 2.323 2.563 11.004 133 HG23 THR 16 2HG2 THR 16 3.725 3.298 11.781 134 HA PRO 17 HA PRO 17 6.775 5.634 6.666 135 HB2 PRO 17 2HB PRO 17 8.806 4.833 8.695 136 HB3 PRO 17 1HB PRO 17 8.649 6.347 7.797 137 HG2 PRO 17 2HG PRO 17 7.947 6.216 10.359 138 HG3 PRO 17 1HG PRO 17 6.996 7.166 9.202 139 HD2 PRO 17 2HD PRO 17 6.402 4.506 10.416 140 HD3 PRO 17 1HD PRO 17 5.294 5.827 9.992 141 H SER 18 H SER 18 7.056 2.588 8.385 142 HA SER 18 HA SER 18 8.981 1.428 6.627 143 HB2 SER 18 2HB SER 18 7.075 0.198 8.629 144 HB3 SER 18 1HB SER 18 8.287 -0.721 7.736 145 HG SER 18 HG SER 18 9.290 -0.179 9.589 146 H ALA 19 H ALA 19 5.491 1.609 6.703 147 HA ALA 19 HA ALA 19 5.209 -0.309 4.535 148 HB1 ALA 19 1HB ALA 19 3.475 -0.555 6.053 149 HB2 ALA 19 2HB ALA 19 2.737 0.422 4.784 150 HB3 ALA 19 3HB ALA 19 3.287 1.184 6.276 151 H TYR 20 H TYR 20 5.092 3.150 5.075 152 HA TYR 20 HA TYR 20 3.923 3.886 2.613 153 HB2 TYR 20 2HB TYR 20 4.052 5.427 4.516 154 HB3 TYR 20 1HB TYR 20 5.807 5.447 4.394 155 HD1 TYR 20 2HD TYR 20 2.672 6.523 2.788 156 HD2 TYR 20 1HD TYR 20 6.919 6.788 2.746 157 HE1 TYR 20 2HE TYR 20 2.533 8.419 1.228 158 HE2 TYR 20 1HE TYR 20 6.792 8.685 1.187 159 HH TYR 20 HH TYR 20 3.927 10.356 0.556 160 H TYR 21 H TYR 21 7.249 3.289 3.600 161 HA TYR 21 HA TYR 21 8.500 4.284 1.276 162 HB2 TYR 21 2HB TYR 21 9.273 2.673 3.609 163 HB3 TYR 21 1HB TYR 21 10.197 2.316 2.153 164 HD1 TYR 21 2HD TYR 21 10.862 4.625 0.836 165 HD2 TYR 21 1HD TYR 21 10.241 4.201 5.023 166 HE1 TYR 21 2HE TYR 21 12.267 6.602 1.238 167 HE2 TYR 21 1HE TYR 21 11.643 6.177 5.438 168 HH TYR 21 HH TYR 21 12.614 8.298 2.950 169 H LEU 22 H LEU 22 6.883 1.287 1.974 170 HA LEU 22 HA LEU 22 7.899 0.051 -0.470 171 HB2 LEU 22 2HB LEU 22 5.923 -1.189 1.420 172 HB3 LEU 22 1HB LEU 22 7.028 -1.986 0.317 173 HG LEU 22 HG LEU 22 7.869 -0.480 2.794 174 HD11 LEU 22 1HD1 LEU 22 8.204 -3.403 2.594 175 HD12 LEU 22 2HD1 LEU 22 6.557 -2.819 2.833 176 HD13 LEU 22 3HD1 LEU 22 7.820 -2.393 3.988 177 HD21 LEU 22 3HD2 LEU 22 9.483 -0.628 0.847 178 HD22 LEU 22 1HD2 LEU 22 9.496 -2.371 1.117 179 HD23 LEU 22 2HD2 LEU 22 10.050 -1.278 2.386 180 H LEU 23 H LEU 23 5.011 1.490 0.853 181 HA LEU 23 HA LEU 23 3.340 0.585 -1.332 182 HB2 LEU 23 2HB LEU 23 2.900 2.282 1.099 183 HB3 LEU 23 1HB LEU 23 1.711 2.256 -0.189 184 HG LEU 23 HG LEU 23 2.632 -0.128 1.417 185 HD11 LEU 23 1HD1 LEU 23 0.805 0.099 2.716 186 HD12 LEU 23 2HD1 LEU 23 -0.184 0.733 1.401 187 HD13 LEU 23 3HD1 LEU 23 0.942 1.795 2.247 188 HD21 LEU 23 3HD2 LEU 23 0.938 0.152 -1.016 189 HD22 LEU 23 1HD2 LEU 23 0.511 -1.067 0.185 190 HD23 LEU 23 2HD2 LEU 23 2.097 -1.108 -0.584 191 H VAL 24 H VAL 24 5.144 3.433 -0.428 192 HA VAL 24 HA VAL 24 3.946 5.324 -2.099 193 HB VAL 24 HB VAL 24 5.585 5.924 -0.374 194 HG11 VAL 24 1HG1 VAL 24 7.792 5.026 -2.190 195 HG12 VAL 24 2HG1 VAL 24 7.090 3.926 -1.002 196 HG13 VAL 24 3HG1 VAL 24 7.854 5.427 -0.474 197 HG21 VAL 24 3HG2 VAL 24 6.202 7.806 -1.449 198 HG22 VAL 24 1HG2 VAL 24 5.208 7.152 -2.751 199 HG23 VAL 24 2HG2 VAL 24 6.958 6.925 -2.778 200 H GLY 25 H GLY 25 6.616 3.068 -2.740 201 HA2 GLY 25 2HA GLY 25 7.075 3.971 -5.401 202 HA3 GLY 25 1HA GLY 25 7.648 2.462 -4.705 203 H HIS 26 H HIS 26 4.906 1.622 -3.998 204 HA HIS 26 HA HIS 26 4.233 0.470 -6.572 205 HB2 HIS 26 2HB HIS 26 4.205 -0.550 -4.057 206 HB3 HIS 26 1HB HIS 26 2.510 -0.115 -4.246 207 HD1 HIS 26 1HD HIS 26 5.101 -1.931 -6.376 208 HD2 HIS 26 2HD HIS 26 1.104 -2.171 -5.268 209 HE1 HIS 26 1HE HIS 26 4.217 -4.002 -7.496 210 HE2 HIS 26 2HE HIS 26 1.775 -4.077 -6.882 211 H PHE 27 H PHE 27 3.140 3.033 -4.559 212 HA PHE 27 HA PHE 27 0.520 3.139 -5.838 213 HB2 PHE 27 2HB PHE 27 0.708 3.536 -3.398 214 HB3 PHE 27 1HB PHE 27 1.709 4.947 -3.723 215 HD1 PHE 27 1HD PHE 27 -1.672 3.522 -4.148 216 HD2 PHE 27 2HD PHE 27 0.747 7.021 -4.280 217 HE1 PHE 27 1HE PHE 27 -3.696 4.911 -4.313 218 HE2 PHE 27 2HE PHE 27 -1.273 8.416 -4.445 219 HZ PHE 27 HZ PHE 27 -3.497 7.361 -4.462 220 H ASN 28 H ASN 28 3.585 4.838 -5.774 221 HA ASN 28 HA ASN 28 2.683 7.083 -7.300 222 HB2 ASN 28 2HB ASN 28 4.747 6.891 -5.727 223 HB3 ASN 28 1HB ASN 28 5.556 6.217 -7.139 224 HD21 ASN 28 1HD2 ASN 28 3.793 9.022 -5.953 225 HD22 ASN 28 2HD2 ASN 28 4.534 10.166 -7.014 226 H GLU 29 H GLU 29 4.528 4.143 -8.053 227 HA GLU 29 HA GLU 29 5.006 4.672 -10.754 228 HB2 GLU 29 2HB GLU 29 5.772 2.713 -9.115 229 HB3 GLU 29 1HB GLU 29 4.458 1.866 -9.920 230 HG2 GLU 29 2HG GLU 29 5.488 2.221 -12.069 231 HG3 GLU 29 1HG GLU 29 6.757 3.198 -11.333 232 H GLY 30 H GLY 30 2.155 3.497 -9.118 233 HA2 GLY 30 2HA GLY 30 -0.014 3.794 -10.076 234 HA3 GLY 30 1HA GLY 30 0.709 3.650 -11.671 235 H LYS 31 H LYS 31 1.204 1.520 -8.895 236 HA LYS 31 HA LYS 31 0.479 -0.756 -10.540 237 HB2 LYS 31 2HB LYS 31 2.169 -0.301 -8.269 238 HB3 LYS 31 1HB LYS 31 1.023 -1.576 -7.881 239 HG2 LYS 31 2HG LYS 31 2.446 -1.702 -10.487 240 HG3 LYS 31 1HG LYS 31 3.337 -2.098 -9.015 241 HD2 LYS 31 2HD LYS 31 2.304 -4.070 -8.809 242 HD3 LYS 31 1HD LYS 31 0.717 -3.357 -9.097 243 HE2 LYS 31 2HE LYS 31 0.834 -4.659 -10.953 244 HE3 LYS 31 1HE LYS 31 1.670 -3.240 -11.582 245 HZ1 LYS 31 3HZ LYS 31 2.722 -5.867 -10.907 246 HZ2 LYS 31 1HZ LYS 31 3.710 -4.549 -10.516 247 HZ3 LYS 31 2HZ LYS 31 3.205 -4.783 -12.114 248 H PHE 32 H PHE 32 -0.525 0.596 -7.397 249 HA PHE 32 HA PHE 32 -3.138 -0.707 -7.795 250 HB2 PHE 32 2HB PHE 32 -3.307 -1.187 -5.468 251 HB3 PHE 32 1HB PHE 32 -1.712 -1.735 -5.973 252 HD1 PHE 32 2HD PHE 32 0.219 0.010 -5.643 253 HD2 PHE 32 1HD PHE 32 -3.498 0.096 -3.573 254 HE1 PHE 32 2HE PHE 32 1.245 1.365 -3.863 255 HE2 PHE 32 1HE PHE 32 -2.480 1.453 -1.791 256 HZ PHE 32 HZ PHE 32 -0.105 2.088 -1.934 257 H SER 33 H SER 33 -4.970 0.396 -6.905 258 HA SER 33 HA SER 33 -4.575 3.303 -6.838 259 HB2 SER 33 2HB SER 33 -7.027 1.625 -7.404 260 HB3 SER 33 1HB SER 33 -7.058 3.382 -7.259 261 HG SER 33 HG SER 33 -6.735 2.255 -9.441 262 H LEU 34 H LEU 34 -6.192 4.502 -5.431 263 HA LEU 34 HA LEU 34 -5.796 3.755 -2.740 264 HB2 LEU 34 2HB LEU 34 -7.310 5.889 -4.157 265 HB3 LEU 34 1HB LEU 34 -7.712 5.585 -2.478 266 HG LEU 34 HG LEU 34 -4.945 6.260 -3.478 267 HD11 LEU 34 1HD1 LEU 34 -5.277 8.464 -2.855 268 HD12 LEU 34 2HD1 LEU 34 -6.675 8.078 -1.852 269 HD13 LEU 34 3HD1 LEU 34 -6.815 8.045 -3.610 270 HD21 LEU 34 3HD2 LEU 34 -4.792 4.989 -1.473 271 HD22 LEU 34 1HD2 LEU 34 -6.106 5.896 -0.723 272 HD23 LEU 34 2HD2 LEU 34 -4.558 6.682 -1.034 273 H ILE 35 H ILE 35 -8.519 3.402 -4.939 274 HA ILE 35 HA ILE 35 -10.495 2.665 -3.115 275 HB ILE 35 HB ILE 35 -10.957 3.157 -5.479 276 HG12 ILE 35 2HG1 ILE 35 -12.512 1.169 -5.885 277 HG13 ILE 35 1HG1 ILE 35 -11.849 0.480 -4.406 278 HG21 ILE 35 1HG2 ILE 35 -10.227 0.438 -6.367 279 HG22 ILE 35 2HG2 ILE 35 -8.893 1.559 -6.090 280 HG23 ILE 35 3HG2 ILE 35 -10.170 1.973 -7.234 281 HD11 ILE 35 3HD1 ILE 35 -14.050 1.822 -4.313 282 HD12 ILE 35 1HD1 ILE 35 -12.999 3.236 -4.397 283 HD13 ILE 35 2HD1 ILE 35 -12.827 2.088 -3.070 284 H GLU 36 H GLU 36 -7.808 0.858 -4.402 285 HA GLU 36 HA GLU 36 -8.815 -1.701 -3.533 286 HB2 GLU 36 2HB GLU 36 -6.128 -0.822 -4.596 287 HB3 GLU 36 1HB GLU 36 -6.503 -2.483 -4.156 288 HG2 GLU 36 2HG GLU 36 -8.108 -0.946 -6.174 289 HG3 GLU 36 1HG GLU 36 -6.676 -1.882 -6.604 290 H LEU 37 H LEU 37 -6.598 0.745 -2.342 291 HA LEU 37 HA LEU 37 -5.535 -0.830 -0.219 292 HB2 LEU 37 2HB LEU 37 -4.454 1.201 -1.224 293 HB3 LEU 37 1HB LEU 37 -5.653 2.177 -0.399 294 HG LEU 37 HG LEU 37 -4.821 1.409 1.767 295 HD11 LEU 37 1HD1 LEU 37 -2.438 0.236 1.465 296 HD12 LEU 37 2HD1 LEU 37 -3.261 -0.424 0.050 297 HD13 LEU 37 3HD1 LEU 37 -3.939 -0.671 1.660 298 HD21 LEU 37 3HD2 LEU 37 -2.538 2.439 1.624 299 HD22 LEU 37 1HD2 LEU 37 -3.841 3.416 0.945 300 HD23 LEU 37 2HD2 LEU 37 -2.759 2.523 -0.124 301 H ILE 38 H ILE 38 -8.127 1.568 -0.448 302 HA ILE 38 HA ILE 38 -8.748 1.561 2.326 303 HB ILE 38 HB ILE 38 -10.579 2.316 0.047 304 HG12 ILE 38 2HG1 ILE 38 -8.823 4.193 1.623 305 HG13 ILE 38 1HG1 ILE 38 -8.286 3.458 0.116 306 HG21 ILE 38 1HG2 ILE 38 -10.719 3.726 2.620 307 HG22 ILE 38 2HG2 ILE 38 -11.211 2.033 2.666 308 HG23 ILE 38 3HG2 ILE 38 -12.010 3.154 1.564 309 HD11 ILE 38 3HD1 ILE 38 -10.580 4.445 -0.750 310 HD12 ILE 38 1HD1 ILE 38 -9.105 5.410 -0.688 311 HD13 ILE 38 2HD1 ILE 38 -10.311 5.561 0.589 312 H LYS 39 H LYS 39 -9.798 -0.344 -0.420 313 HA LYS 39 HA LYS 39 -12.029 -1.551 0.881 314 HB2 LYS 39 2HB LYS 39 -10.583 -1.891 -1.673 315 HB3 LYS 39 1HB LYS 39 -11.399 -3.326 -1.068 316 HG2 LYS 39 2HG LYS 39 -13.464 -1.861 -0.835 317 HG3 LYS 39 1HG LYS 39 -12.594 -0.678 -1.815 318 HD2 LYS 39 2HD LYS 39 -12.282 -2.465 -3.539 319 HD3 LYS 39 1HD LYS 39 -13.351 -3.494 -2.584 320 HE2 LYS 39 2HE LYS 39 -15.166 -1.932 -2.849 321 HE3 LYS 39 1HE LYS 39 -14.106 -0.781 -3.662 322 HZ1 LYS 39 3HZ LYS 39 -15.619 -2.253 -5.081 323 HZ2 LYS 39 1HZ LYS 39 -14.514 -3.493 -4.752 324 HZ3 LYS 39 2HZ LYS 39 -14.001 -2.094 -5.553 325 H PHE 40 H PHE 40 -8.623 -2.311 0.589 326 HA PHE 40 HA PHE 40 -8.787 -4.970 1.574 327 HB2 PHE 40 2HB PHE 40 -6.862 -3.896 0.275 328 HB3 PHE 40 1HB PHE 40 -6.374 -3.177 1.806 329 HD1 PHE 40 2HD PHE 40 -7.038 -6.429 0.151 330 HD2 PHE 40 1HD PHE 40 -5.081 -4.379 3.324 331 HE1 PHE 40 2HE PHE 40 -5.817 -8.487 0.721 332 HE2 PHE 40 1HE PHE 40 -3.854 -6.432 3.901 333 HZ PHE 40 HZ PHE 40 -4.223 -8.491 2.599 334 H ALA 41 H ALA 41 -7.871 -1.894 3.115 335 HA ALA 41 HA ALA 41 -7.491 -2.960 5.696 336 HB1 ALA 41 1HB ALA 41 -6.621 -0.770 4.943 337 HB2 ALA 41 2HB ALA 41 -7.499 -0.675 6.469 338 HB3 ALA 41 3HB ALA 41 -8.265 -0.136 4.975 339 H LYS 42 H LYS 42 -10.321 -1.636 4.064 340 HA LYS 42 HA LYS 42 -12.030 -1.444 6.272 341 HB2 LYS 42 2HB LYS 42 -12.395 -1.673 3.327 342 HB3 LYS 42 1HB LYS 42 -13.797 -1.977 4.343 343 HG2 LYS 42 2HG LYS 42 -12.775 0.341 5.399 344 HG3 LYS 42 1HG LYS 42 -12.480 0.530 3.670 345 HD2 LYS 42 2HD LYS 42 -14.996 -0.375 3.577 346 HD3 LYS 42 1HD LYS 42 -15.034 0.399 5.164 347 HE2 LYS 42 2HE LYS 42 -14.259 1.685 2.549 348 HE3 LYS 42 1HE LYS 42 -15.744 1.964 3.458 349 HZ1 LYS 42 3HZ LYS 42 -14.229 3.740 3.891 350 HZ2 LYS 42 1HZ LYS 42 -12.985 2.667 4.299 351 HZ3 LYS 42 2HZ LYS 42 -14.345 2.806 5.296 352 H SER 43 H SER 43 -11.291 -4.160 4.140 353 HA SER 43 HA SER 43 -13.236 -5.911 5.278 354 HB2 SER 43 2HB SER 43 -10.751 -6.723 3.762 355 HB3 SER 43 1HB SER 43 -12.261 -7.621 3.915 356 HG SER 43 HG SER 43 -13.238 -5.764 2.802 357 H ARG 44 H ARG 44 -9.897 -5.143 5.955 358 HA ARG 44 HA ARG 44 -9.583 -7.349 7.805 359 HB2 ARG 44 2HB ARG 44 -7.832 -5.207 6.714 360 HB3 ARG 44 1HB ARG 44 -7.403 -5.883 8.278 361 HG2 ARG 44 2HG ARG 44 -8.023 -7.990 6.432 362 HG3 ARG 44 1HG ARG 44 -6.807 -6.910 5.746 363 HD2 ARG 44 2HD ARG 44 -5.237 -7.517 7.247 364 HD3 ARG 44 1HD ARG 44 -6.398 -7.630 8.568 365 HE ARG 44 HE ARG 44 -6.971 -9.772 6.979 366 HH11 ARG 44 1HH1 ARG 44 -4.098 -8.606 8.582 367 HH12 ARG 44 2HH1 ARG 44 -3.427 -10.188 8.798 368 HH21 ARG 44 1HH2 ARG 44 -6.088 -11.853 7.262 369 HH22 ARG 44 2HH2 ARG 44 -4.555 -12.030 8.049 370 H GLU 45 H GLU 45 -10.674 -4.100 7.902 371 HA GLU 45 HA GLU 45 -11.418 -2.767 9.583 372 HB2 GLU 45 2HB GLU 45 -11.517 -5.483 10.787 373 HB3 GLU 45 1HB GLU 45 -11.653 -4.115 11.882 374 HG2 GLU 45 2HG GLU 45 -13.357 -3.747 9.597 375 HG3 GLU 45 1HG GLU 45 -13.677 -5.298 10.372 376 H THR 46 H THR 46 -8.989 -2.146 9.133 377 HA THR 46 HA THR 46 -7.867 -1.520 11.711 378 HB THR 46 HB THR 46 -6.776 -3.623 11.510 379 HG1 THR 46 1HG THR 46 -5.199 -2.295 12.155 380 HG21 THR 46 3HG2 THR 46 -5.756 -2.894 8.775 381 HG22 THR 46 1HG2 THR 46 -7.259 -3.789 9.007 382 HG23 THR 46 2HG2 THR 46 -5.731 -4.467 9.574 383 H PHE 47 H PHE 47 -8.072 0.626 11.179 384 HA PHE 47 HA PHE 47 -7.425 1.818 8.747 385 HB2 PHE 47 2HB PHE 47 -7.292 3.937 10.025 386 HB3 PHE 47 1HB PHE 47 -8.723 2.992 10.423 387 HD1 PHE 47 2HD PHE 47 -8.890 1.846 12.581 388 HD2 PHE 47 1HD PHE 47 -5.584 4.353 11.640 389 HE1 PHE 47 2HE PHE 47 -8.293 1.946 14.967 390 HE2 PHE 47 1HE PHE 47 -4.980 4.458 14.023 391 HZ PHE 47 HZ PHE 47 -6.336 3.254 15.689 392 H ILE 48 H ILE 48 -5.377 0.749 11.333 393 HA ILE 48 HA ILE 48 -3.091 2.308 10.619 394 HB ILE 48 HB ILE 48 -3.124 -0.280 12.173 395 HG12 ILE 48 2HG1 ILE 48 -3.007 2.299 13.613 396 HG13 ILE 48 1HG1 ILE 48 -4.558 1.920 12.872 397 HG21 ILE 48 1HG2 ILE 48 -1.103 1.801 11.607 398 HG22 ILE 48 2HG2 ILE 48 -0.906 0.072 11.894 399 HG23 ILE 48 3HG2 ILE 48 -1.149 1.168 13.253 400 HD11 ILE 48 3HD1 ILE 48 -4.079 -0.415 14.070 401 HD12 ILE 48 1HD1 ILE 48 -4.900 0.928 14.866 402 HD13 ILE 48 2HD1 ILE 48 -3.182 0.654 15.150 403 H ILE 49 H ILE 49 -2.358 2.068 8.580 404 HA ILE 49 HA ILE 49 -2.154 -0.583 7.393 405 HB ILE 49 HB ILE 49 -1.328 2.046 6.167 406 HG12 ILE 49 2HG1 ILE 49 -3.963 0.632 5.758 407 HG13 ILE 49 1HG1 ILE 49 -3.754 1.932 6.927 408 HG21 ILE 49 1HG2 ILE 49 -0.999 0.934 4.229 409 HG22 ILE 49 2HG2 ILE 49 -2.306 -0.209 4.537 410 HG23 ILE 49 3HG2 ILE 49 -0.738 -0.431 5.313 411 HD11 ILE 49 3HD1 ILE 49 -4.224 3.359 5.305 412 HD12 ILE 49 1HD1 ILE 49 -4.202 2.072 4.100 413 HD13 ILE 49 2HD1 ILE 49 -2.706 2.904 4.528 414 H ASP 50 H ASP 50 -0.490 -1.624 8.425 415 HA ASP 50 HA ASP 50 2.151 -0.330 8.347 416 HB2 ASP 50 2HB ASP 50 2.823 -1.928 10.084 417 HB3 ASP 50 1HB ASP 50 1.412 -1.004 10.589 418 H ASP 51 H ASP 51 3.861 -2.376 8.457 419 HA ASP 51 HA ASP 51 4.042 -3.280 5.827 420 HB2 ASP 51 2HB ASP 51 5.923 -3.115 7.492 421 HB3 ASP 51 1HB ASP 51 5.324 -4.599 8.224 422 H GLU 52 H GLU 52 2.547 -4.733 8.638 423 HA GLU 52 HA GLU 52 2.277 -7.359 7.718 424 HB2 GLU 52 2HB GLU 52 1.530 -5.971 9.979 425 HB3 GLU 52 1HB GLU 52 -0.016 -6.388 9.257 426 HG2 GLU 52 2HG GLU 52 0.927 -8.767 9.096 427 HG3 GLU 52 1HG GLU 52 2.153 -8.204 10.232 428 H ILE 53 H ILE 53 0.152 -4.551 7.302 429 HA ILE 53 HA ILE 53 -1.812 -6.004 5.805 430 HB ILE 53 HB ILE 53 -1.425 -3.012 5.893 431 HG12 ILE 53 2HG1 ILE 53 -1.584 -3.983 8.168 432 HG13 ILE 53 1HG1 ILE 53 -2.974 -2.979 7.767 433 HG21 ILE 53 1HG2 ILE 53 -3.667 -4.817 5.063 434 HG22 ILE 53 2HG2 ILE 53 -2.938 -3.471 4.186 435 HG23 ILE 53 3HG2 ILE 53 -3.975 -3.159 5.578 436 HD11 ILE 53 3HD1 ILE 53 -3.786 -4.898 8.881 437 HD12 ILE 53 1HD1 ILE 53 -2.835 -5.977 7.861 438 HD13 ILE 53 2HD1 ILE 53 -4.194 -5.086 7.176 439 H ALA 54 H ALA 54 0.906 -3.894 5.010 440 HA ALA 54 HA ALA 54 0.390 -3.692 2.240 441 HB1 ALA 54 1HB ALA 54 2.119 -2.480 3.908 442 HB2 ALA 54 2HB ALA 54 2.277 -2.460 2.151 443 HB3 ALA 54 3HB ALA 54 3.206 -3.615 3.107 444 H ASN 55 H ASN 55 2.203 -6.016 4.171 445 HA ASN 55 HA ASN 55 3.472 -7.385 2.080 446 HB2 ASN 55 2HB ASN 55 3.708 -7.566 4.703 447 HB3 ASN 55 1HB ASN 55 2.538 -8.868 4.501 448 HD21 ASN 55 1HD2 ASN 55 5.467 -7.714 2.855 449 HD22 ASN 55 2HD2 ASN 55 6.211 -9.268 2.731 450 H GLU 56 H GLU 56 0.502 -8.284 3.840 451 HA GLU 56 HA GLU 56 -0.174 -10.406 2.103 452 HB2 GLU 56 2HB GLU 56 -1.289 -9.133 4.438 453 HB3 GLU 56 1HB GLU 56 -2.556 -9.449 3.260 454 HG2 GLU 56 2HG GLU 56 -2.425 -11.679 3.514 455 HG3 GLU 56 1HG GLU 56 -0.677 -11.661 3.744 456 H PHE 57 H PHE 57 -0.930 -6.982 2.100 457 HA PHE 57 HA PHE 57 -3.027 -6.950 0.266 458 HB2 PHE 57 2HB PHE 57 -2.365 -4.981 1.561 459 HB3 PHE 57 1HB PHE 57 -0.847 -4.892 0.674 460 HD1 PHE 57 2HD PHE 57 -4.479 -5.156 -0.165 461 HD2 PHE 57 1HD PHE 57 -0.751 -3.236 -0.894 462 HE1 PHE 57 2HE PHE 57 -5.553 -3.717 -1.848 463 HE2 PHE 57 1HE PHE 57 -1.819 -1.793 -2.577 464 HZ PHE 57 HZ PHE 57 -4.223 -2.033 -3.056 465 H LEU 58 H LEU 58 0.456 -6.512 -0.363 466 HA LEU 58 HA LEU 58 0.225 -6.415 -3.167 467 HB2 LEU 58 2HB LEU 58 2.572 -7.243 -1.457 468 HB3 LEU 58 1HB LEU 58 2.655 -6.883 -3.172 469 HG LEU 58 HG LEU 58 1.835 -4.901 -1.045 470 HD11 LEU 58 1HD1 LEU 58 4.330 -5.852 -1.332 471 HD12 LEU 58 2HD1 LEU 58 3.967 -4.191 -0.864 472 HD13 LEU 58 3HD1 LEU 58 4.353 -4.569 -2.542 473 HD21 LEU 58 3HD2 LEU 58 0.893 -4.533 -3.314 474 HD22 LEU 58 1HD2 LEU 58 2.540 -4.459 -3.941 475 HD23 LEU 58 2HD2 LEU 58 1.983 -3.253 -2.782 476 H LYS 59 H LYS 59 0.421 -9.075 -0.919 477 HA LYS 59 HA LYS 59 0.987 -11.047 -2.941 478 HB2 LYS 59 2HB LYS 59 1.276 -10.978 -0.219 479 HB3 LYS 59 1HB LYS 59 -0.152 -11.988 -0.399 480 HG2 LYS 59 2HG LYS 59 1.052 -13.725 -1.080 481 HG3 LYS 59 1HG LYS 59 1.931 -12.747 -2.258 482 HD2 LYS 59 2HD LYS 59 3.716 -13.095 -0.952 483 HD3 LYS 59 1HD LYS 59 2.993 -11.898 0.123 484 HE2 LYS 59 2HE LYS 59 3.524 -13.785 1.459 485 HE3 LYS 59 1HE LYS 59 1.774 -13.795 1.240 486 HZ1 LYS 59 3HZ LYS 59 1.886 -15.577 -0.212 487 HZ2 LYS 59 1HZ LYS 59 3.061 -15.973 0.939 488 HZ3 LYS 59 2HZ LYS 59 3.524 -15.344 -0.561 489 H SER 60 H SER 60 -1.841 -9.721 -1.378 490 HA SER 60 HA SER 60 -3.655 -11.753 -2.207 491 HB2 SER 60 2HB SER 60 -3.844 -9.793 -0.392 492 HB3 SER 60 1HB SER 60 -4.652 -8.989 -1.738 493 HG SER 60 HG SER 60 -5.921 -11.020 -1.870 494 H ILE 61 H ILE 61 -2.827 -8.543 -3.479 495 HA ILE 61 HA ILE 61 -4.648 -8.652 -5.656 496 HB ILE 61 HB ILE 61 -3.384 -6.744 -6.569 497 HG12 ILE 61 2HG1 ILE 61 -1.549 -7.198 -4.204 498 HG13 ILE 61 1HG1 ILE 61 -1.131 -7.479 -5.891 499 HG21 ILE 61 1HG2 ILE 61 -4.311 -5.295 -5.109 500 HG22 ILE 61 2HG2 ILE 61 -3.549 -6.047 -3.708 501 HG23 ILE 61 3HG2 ILE 61 -4.993 -6.767 -4.419 502 HD11 ILE 61 3HD1 ILE 61 -2.022 -4.784 -4.951 503 HD12 ILE 61 1HD1 ILE 61 -1.080 -5.209 -6.380 504 HD13 ILE 61 2HD1 ILE 61 -0.349 -5.311 -4.777 505 H GLY 62 H GLY 62 -1.363 -9.740 -5.182 506 HA2 GLY 62 2HA GLY 62 -0.287 -11.381 -6.464 507 HA3 GLY 62 1HA GLY 62 -1.489 -11.151 -7.726 508 H ALA 63 H ALA 63 0.745 -8.899 -6.109 509 HA ALA 63 HA ALA 63 1.827 -8.232 -8.770 510 HB1 ALA 63 1HB ALA 63 0.397 -6.532 -7.238 511 HB2 ALA 63 2HB ALA 63 1.640 -6.022 -8.380 512 HB3 ALA 63 3HB ALA 63 2.029 -6.182 -6.668 513 H GLU 64 H GLU 64 4.050 -7.576 -8.848 514 HA GLU 64 HA GLU 64 5.647 -8.837 -6.732 515 HB2 GLU 64 2HB GLU 64 5.901 -8.625 -9.651 516 HB3 GLU 64 1HB GLU 64 7.400 -8.344 -8.778 517 HG2 GLU 64 2HG GLU 64 7.678 -10.523 -8.587 518 HG3 GLU 64 1HG GLU 64 6.204 -10.613 -7.621 519 H VAL 65 H VAL 65 7.059 -7.699 -5.537 520 HA VAL 65 HA VAL 65 7.008 -4.822 -5.736 521 HB VAL 65 HB VAL 65 6.946 -5.915 -3.538 522 HG11 VAL 65 1HG1 VAL 65 8.788 -7.639 -4.510 523 HG12 VAL 65 2HG1 VAL 65 8.448 -7.415 -2.793 524 HG13 VAL 65 3HG1 VAL 65 9.811 -6.579 -3.540 525 HG21 VAL 65 3HG2 VAL 65 7.770 -3.657 -3.626 526 HG22 VAL 65 1HG2 VAL 65 9.387 -4.220 -4.050 527 HG23 VAL 65 2HG2 VAL 65 8.725 -4.564 -2.451 528 H GLU 66 H GLU 66 8.511 -3.534 -6.610 529 HA GLU 66 HA GLU 66 10.988 -4.789 -7.588 530 HB2 GLU 66 2HB GLU 66 9.253 -2.604 -8.682 531 HB3 GLU 66 1HB GLU 66 10.958 -2.662 -9.110 532 HG2 GLU 66 2HG GLU 66 9.670 -5.239 -9.412 533 HG3 GLU 66 1HG GLU 66 8.892 -3.984 -10.375 534 H LEU 67 H LEU 67 12.956 -3.789 -7.255 535 HA LEU 67 HA LEU 67 12.936 -1.451 -5.465 536 HB2 LEU 67 2HB LEU 67 13.944 -4.075 -4.963 537 HB3 LEU 67 1HB LEU 67 15.301 -2.969 -5.031 538 HG LEU 67 HG LEU 67 14.449 -3.280 -2.743 539 HD11 LEU 67 1HD1 LEU 67 15.442 -1.090 -3.686 540 HD12 LEU 67 2HD1 LEU 67 14.641 -1.057 -2.115 541 HD13 LEU 67 3HD1 LEU 67 13.796 -0.474 -3.550 542 HD21 LEU 67 3HD2 LEU 67 11.939 -2.004 -3.826 543 HD22 LEU 67 1HD2 LEU 67 12.276 -2.326 -2.124 544 HD23 LEU 67 2HD2 LEU 67 12.105 -3.667 -3.259 545 HA PRO 68 HA PRO 68 15.488 -0.486 -9.208 546 HB2 PRO 68 2HB PRO 68 14.528 2.012 -9.572 547 HB3 PRO 68 1HB PRO 68 13.702 0.581 -10.198 548 HG2 PRO 68 2HG PRO 68 13.127 2.172 -7.727 549 HG3 PRO 68 1HG PRO 68 11.995 1.513 -8.922 550 HD2 PRO 68 2HD PRO 68 12.489 0.317 -6.530 551 HD3 PRO 68 1HD PRO 68 12.043 -0.590 -7.990 552 H GLN 69 H GLN 69 17.384 0.654 -9.247 553 HA GLN 69 HA GLN 69 18.073 2.095 -6.784 554 HB2 GLN 69 2HB GLN 69 19.396 0.047 -7.830 555 HB3 GLN 69 1HB GLN 69 20.133 1.318 -8.797 556 HG2 GLN 69 2HG GLN 69 20.109 2.137 -6.069 557 HG3 GLN 69 1HG GLN 69 20.780 0.512 -6.174 558 HE21 GLN 69 1HE2 GLN 69 22.901 0.583 -6.228 559 HE22 GLN 69 2HE2 GLN 69 23.865 1.724 -7.096 560 H GLU 70 H GLU 70 19.517 3.974 -6.994 561 HA GLU 70 HA GLU 70 18.445 5.909 -8.729 562 HB2 GLU 70 2HB GLU 70 21.114 6.059 -7.327 563 HB3 GLU 70 1HB GLU 70 20.113 7.404 -7.856 564 HG2 GLU 70 2HG GLU 70 18.390 6.125 -6.222 565 HG3 GLU 70 1HG GLU 70 19.927 5.735 -5.448 566 H ILE 71 H ILE 71 20.299 7.366 -9.915 567 HA ILE 71 HA ILE 71 22.007 5.664 -11.553 568 HB ILE 71 HB ILE 71 21.133 6.786 -13.644 569 HG12 ILE 71 2HG1 ILE 71 18.548 7.198 -12.209 570 HG13 ILE 71 1HG1 ILE 71 19.788 8.440 -12.060 571 HG21 ILE 71 1HG2 ILE 71 19.158 5.246 -13.807 572 HG22 ILE 71 2HG2 ILE 71 19.404 4.864 -12.103 573 HG23 ILE 71 3HG2 ILE 71 20.660 4.484 -13.281 574 HD11 ILE 71 3HD1 ILE 71 18.832 7.411 -14.710 575 HD12 ILE 71 1HD1 ILE 71 19.773 8.865 -14.377 576 HD13 ILE 71 2HD1 ILE 71 18.084 8.774 -13.878 577 H LYS 72 H LYS 72 23.425 6.953 -12.992 578 HA LYS 72 HA LYS 72 24.583 9.115 -11.554 579 HB2 LYS 72 2HB LYS 72 25.158 8.314 -14.408 580 HB3 LYS 72 1HB LYS 72 26.215 9.200 -13.319 581 HG2 LYS 72 2HG LYS 72 26.851 7.331 -12.190 582 HG3 LYS 72 1HG LYS 72 25.322 6.501 -12.476 583 HD2 LYS 72 2HD LYS 72 26.904 7.057 -14.889 584 HD3 LYS 72 1HD LYS 72 27.650 5.930 -13.754 585 HE2 LYS 72 2HE LYS 72 24.823 5.389 -14.158 586 HE3 LYS 72 1HE LYS 72 25.738 5.325 -15.663 587 HZ1 LYS 72 3HZ LYS 72 25.550 3.205 -14.284 588 HZ2 LYS 72 1HZ LYS 72 26.685 3.915 -13.248 589 HZ3 LYS 72 2HZ LYS 72 27.081 3.625 -14.867 Start of MODEL 3 1 H MET 1 H MET 1 2.779 17.810 2.163 2 HA MET 1 HA MET 1 4.370 17.517 0.294 3 HB2 MET 1 2HB MET 1 3.720 15.472 2.400 4 HB3 MET 1 1HB MET 1 5.112 15.259 1.347 5 HG2 MET 1 2HG MET 1 6.193 16.376 2.952 6 HG3 MET 1 1HG MET 1 5.504 17.798 2.168 7 HE1 MET 1 2HE MET 1 5.703 17.383 6.227 8 HE2 MET 1 3HE MET 1 5.759 18.914 5.354 9 HE3 MET 1 1HE MET 1 6.714 17.545 4.790 10 H ASP 2 H ASP 2 2.646 14.457 0.857 11 HA ASP 2 HA ASP 2 2.736 13.980 -2.049 12 HB2 ASP 2 2HB ASP 2 4.016 12.475 -0.288 13 HB3 ASP 2 1HB ASP 2 2.431 11.732 -0.105 14 H GLU 3 H GLU 3 0.959 12.906 -3.026 15 HA GLU 3 HA GLU 3 -1.576 13.693 -1.930 16 HB2 GLU 3 2HB GLU 3 -0.663 12.407 -4.474 17 HB3 GLU 3 1HB GLU 3 -2.368 12.352 -4.046 18 HG2 GLU 3 2HG GLU 3 -1.242 15.011 -3.766 19 HG3 GLU 3 1HG GLU 3 -1.082 14.373 -5.402 20 H PHE 4 H PHE 4 0.271 10.745 -2.157 21 HA PHE 4 HA PHE 4 -1.768 8.873 -1.730 22 HB2 PHE 4 2HB PHE 4 0.529 8.275 -2.415 23 HB3 PHE 4 1HB PHE 4 1.114 8.732 -0.818 24 HD1 PHE 4 1HD PHE 4 -1.942 6.824 -1.728 25 HD2 PHE 4 2HD PHE 4 1.907 6.749 0.087 26 HE1 PHE 4 1HE PHE 4 -2.372 4.540 -0.921 27 HE2 PHE 4 2HE PHE 4 1.484 4.465 0.897 28 HZ PHE 4 HZ PHE 4 -0.657 3.357 0.393 29 H VAL 5 H VAL 5 0.482 10.266 0.665 30 HA VAL 5 HA VAL 5 -0.747 9.172 2.926 31 HB VAL 5 HB VAL 5 0.717 11.809 2.844 32 HG11 VAL 5 1HG1 VAL 5 -0.059 11.668 4.989 33 HG12 VAL 5 2HG1 VAL 5 1.445 10.761 5.153 34 HG13 VAL 5 3HG1 VAL 5 -0.087 9.905 4.981 35 HG21 VAL 5 3HG2 VAL 5 2.708 10.310 3.456 36 HG22 VAL 5 1HG2 VAL 5 2.197 10.356 1.768 37 HG23 VAL 5 2HG2 VAL 5 1.745 8.992 2.790 38 H LYS 6 H LYS 6 -1.254 12.283 1.307 39 HA LYS 6 HA LYS 6 -3.046 13.389 3.152 40 HB2 LYS 6 2HB LYS 6 -1.882 14.299 0.902 41 HB3 LYS 6 1HB LYS 6 -3.491 13.969 0.276 42 HG2 LYS 6 2HG LYS 6 -3.896 16.070 0.950 43 HG3 LYS 6 1HG LYS 6 -4.127 15.306 2.524 44 HD2 LYS 6 2HD LYS 6 -1.781 15.763 3.080 45 HD3 LYS 6 1HD LYS 6 -1.567 16.544 1.512 46 HE2 LYS 6 2HE LYS 6 -2.019 18.404 2.720 47 HE3 LYS 6 1HE LYS 6 -3.684 17.920 2.394 48 HZ1 LYS 6 3HZ LYS 6 -3.821 18.140 4.624 49 HZ2 LYS 6 1HZ LYS 6 -2.178 17.834 4.887 50 HZ3 LYS 6 2HZ LYS 6 -3.244 16.551 4.607 51 H GLY 7 H GLY 7 -3.629 11.369 0.294 52 HA2 GLY 7 2HA GLY 7 -6.428 11.444 0.326 53 HA3 GLY 7 1HA GLY 7 -5.460 10.140 -0.344 54 H LEU 8 H LEU 8 -4.191 9.629 2.291 55 HA LEU 8 HA LEU 8 -6.149 7.767 3.255 56 HB2 LEU 8 2HB LEU 8 -3.427 8.480 4.352 57 HB3 LEU 8 1HB LEU 8 -4.404 7.120 4.868 58 HG LEU 8 HG LEU 8 -3.226 7.492 2.113 59 HD11 LEU 8 1HD1 LEU 8 -1.522 6.975 3.747 60 HD12 LEU 8 2HD1 LEU 8 -1.829 5.562 2.736 61 HD13 LEU 8 3HD1 LEU 8 -2.488 5.636 4.371 62 HD21 LEU 8 3HD2 LEU 8 -5.237 6.294 1.839 63 HD22 LEU 8 1HD2 LEU 8 -4.968 5.352 3.306 64 HD23 LEU 8 2HD2 LEU 8 -3.961 5.077 1.885 65 H MET 9 H MET 9 -4.758 10.799 4.388 66 HA MET 9 HA MET 9 -5.853 10.768 6.980 67 HB2 MET 9 2HB MET 9 -5.211 13.176 5.270 68 HB3 MET 9 1HB MET 9 -5.388 13.159 7.020 69 HG2 MET 9 2HG MET 9 -3.315 11.519 5.602 70 HG3 MET 9 1HG MET 9 -3.031 13.188 6.094 71 HE1 MET 9 3HE MET 9 -1.488 10.089 8.431 72 HE2 MET 9 1HE MET 9 -1.511 10.533 6.724 73 HE3 MET 9 2HE MET 9 -2.749 9.457 7.371 74 H LYS 10 H LYS 10 -7.158 11.715 3.877 75 HA LYS 10 HA LYS 10 -9.389 13.169 4.773 76 HB2 LYS 10 2HB LYS 10 -9.213 11.477 2.277 77 HB3 LYS 10 1HB LYS 10 -10.309 12.824 2.561 78 HG2 LYS 10 2HG LYS 10 -7.875 13.987 2.967 79 HG3 LYS 10 1HG LYS 10 -7.519 12.816 1.695 80 HD2 LYS 10 2HD LYS 10 -9.751 13.803 0.667 81 HD3 LYS 10 1HD LYS 10 -9.299 15.199 1.650 82 HE2 LYS 10 2HE LYS 10 -6.929 14.585 0.467 83 HE3 LYS 10 1HE LYS 10 -8.074 14.129 -0.794 84 HZ1 LYS 10 3HZ LYS 10 -7.909 16.298 -1.307 85 HZ2 LYS 10 1HZ LYS 10 -7.408 16.757 0.243 86 HZ3 LYS 10 2HZ LYS 10 -9.049 16.494 -0.074 87 H ASN 11 H ASN 11 -8.794 9.740 4.486 88 HA ASN 11 HA ASN 11 -11.562 9.199 5.331 89 HB2 ASN 11 2HB ASN 11 -9.558 7.594 3.779 90 HB3 ASN 11 1HB ASN 11 -10.849 6.778 4.654 91 HD21 ASN 11 1HD2 ASN 11 -13.054 7.969 4.283 92 HD22 ASN 11 2HD2 ASN 11 -13.432 8.257 2.621 93 H GLY 12 H GLY 12 -9.135 9.992 6.983 94 HA2 GLY 12 2HA GLY 12 -8.176 9.427 8.991 95 HA3 GLY 12 1HA GLY 12 -9.687 8.585 9.293 96 H TYR 13 H TYR 13 -6.533 8.211 7.710 97 HA TYR 13 HA TYR 13 -6.430 5.465 8.692 98 HB2 TYR 13 2HB TYR 13 -6.379 6.270 5.806 99 HB3 TYR 13 1HB TYR 13 -5.452 4.870 6.334 100 HD1 TYR 13 2HD TYR 13 -6.625 2.907 7.301 101 HD2 TYR 13 1HD TYR 13 -8.757 6.184 5.620 102 HE1 TYR 13 2HE TYR 13 -8.647 1.515 7.165 103 HE2 TYR 13 1HE TYR 13 -10.784 4.799 5.479 104 HH TYR 13 HH TYR 13 -11.199 1.972 7.110 105 H LEU 14 H LEU 14 -4.597 5.309 9.781 106 HA LEU 14 HA LEU 14 -2.382 7.091 9.206 107 HB2 LEU 14 2HB LEU 14 -2.392 4.922 11.284 108 HB3 LEU 14 1HB LEU 14 -1.470 6.414 11.269 109 HG LEU 14 HG LEU 14 -4.457 6.522 11.429 110 HD11 LEU 14 1HD1 LEU 14 -3.869 4.962 13.166 111 HD12 LEU 14 2HD1 LEU 14 -4.257 6.523 13.892 112 HD13 LEU 14 3HD1 LEU 14 -2.575 6.021 13.728 113 HD21 LEU 14 3HD2 LEU 14 -2.205 8.280 12.392 114 HD22 LEU 14 1HD2 LEU 14 -3.914 8.574 12.719 115 HD23 LEU 14 2HD2 LEU 14 -3.316 8.603 11.060 116 H ILE 15 H ILE 15 -0.369 6.488 8.492 117 HA ILE 15 HA ILE 15 -0.019 3.675 7.702 118 HB ILE 15 HB ILE 15 -0.631 4.990 5.719 119 HG12 ILE 15 2HG1 ILE 15 2.304 4.313 5.555 120 HG13 ILE 15 1HG1 ILE 15 1.063 3.071 5.691 121 HG21 ILE 15 1HG2 ILE 15 0.778 6.758 4.880 122 HG22 ILE 15 2HG2 ILE 15 1.891 6.559 6.234 123 HG23 ILE 15 3HG2 ILE 15 0.254 7.154 6.518 124 HD11 ILE 15 3HD1 ILE 15 0.642 3.178 3.523 125 HD12 ILE 15 1HD1 ILE 15 2.025 4.260 3.367 126 HD13 ILE 15 2HD1 ILE 15 0.408 4.925 3.597 127 H THR 16 H THR 16 1.896 2.800 8.213 128 HA THR 16 HA THR 16 3.812 4.437 9.650 129 HB THR 16 HB THR 16 4.998 2.166 9.913 130 HG1 THR 16 1HG THR 16 3.523 0.383 9.590 131 HG21 THR 16 3HG2 THR 16 2.213 2.315 11.049 132 HG22 THR 16 1HG2 THR 16 3.535 3.338 11.611 133 HG23 THR 16 2HG2 THR 16 3.645 1.584 11.776 134 HA PRO 17 HA PRO 17 6.825 5.146 6.525 135 HB2 PRO 17 2HB PRO 17 8.807 3.910 8.376 136 HB3 PRO 17 1HB PRO 17 8.850 5.480 7.567 137 HG2 PRO 17 2HG PRO 17 8.279 5.307 10.161 138 HG3 PRO 17 1HG PRO 17 7.434 6.467 9.117 139 HD2 PRO 17 2HD PRO 17 6.478 3.870 10.230 140 HD3 PRO 17 1HD PRO 17 5.582 5.374 9.944 141 H SER 18 H SER 18 7.217 2.035 8.214 142 HA SER 18 HA SER 18 8.657 0.694 6.243 143 HB2 SER 18 2HB SER 18 8.274 -0.140 8.561 144 HB3 SER 18 1HB SER 18 6.613 -0.524 8.112 145 HG SER 18 HG SER 18 8.942 -1.588 6.884 146 H ALA 19 H ALA 19 5.259 1.430 6.448 147 HA ALA 19 HA ALA 19 4.546 -0.385 4.304 148 HB1 ALA 19 1HB ALA 19 3.085 0.288 6.325 149 HB2 ALA 19 2HB ALA 19 2.330 0.156 4.737 150 HB3 ALA 19 3HB ALA 19 2.740 1.742 5.390 151 H TYR 20 H TYR 20 4.871 3.109 4.795 152 HA TYR 20 HA TYR 20 4.026 3.850 2.196 153 HB2 TYR 20 2HB TYR 20 4.066 5.407 4.121 154 HB3 TYR 20 1HB TYR 20 5.826 5.364 4.097 155 HD1 TYR 20 1HD TYR 20 2.822 6.607 2.411 156 HD2 TYR 20 2HD TYR 20 7.075 6.516 2.361 157 HE1 TYR 20 1HE TYR 20 2.836 8.465 0.799 158 HE2 TYR 20 2HE TYR 20 7.101 8.374 0.748 159 HH TYR 20 HH TYR 20 5.421 10.329 0.164 160 H TYR 21 H TYR 21 7.202 3.201 3.608 161 HA TYR 21 HA TYR 21 8.808 4.025 1.491 162 HB2 TYR 21 2HB TYR 21 9.103 2.260 3.820 163 HB3 TYR 21 1HB TYR 21 10.171 1.858 2.479 164 HD1 TYR 21 2HD TYR 21 11.849 3.479 1.701 165 HD2 TYR 21 1HD TYR 21 9.404 4.278 5.089 166 HE1 TYR 21 2HE TYR 21 13.381 5.280 2.374 167 HE2 TYR 21 1HE TYR 21 10.929 6.083 5.771 168 HH TYR 21 HH TYR 21 12.595 7.539 4.833 169 H LEU 22 H LEU 22 6.829 1.185 1.829 170 HA LEU 22 HA LEU 22 8.006 0.001 -0.580 171 HB2 LEU 22 2HB LEU 22 5.985 -1.132 1.356 172 HB3 LEU 22 1HB LEU 22 6.674 -1.987 -0.011 173 HG LEU 22 HG LEU 22 8.392 -0.909 2.211 174 HD11 LEU 22 1HD1 LEU 22 7.141 -2.333 3.486 175 HD12 LEU 22 2HD1 LEU 22 8.332 -3.464 2.844 176 HD13 LEU 22 3HD1 LEU 22 6.726 -3.370 2.121 177 HD21 LEU 22 3HD2 LEU 22 9.102 -1.828 -0.213 178 HD22 LEU 22 1HD2 LEU 22 9.063 -3.345 0.687 179 HD23 LEU 22 2HD2 LEU 22 10.096 -2.023 1.233 180 H LEU 23 H LEU 23 4.911 1.110 0.732 181 HA LEU 23 HA LEU 23 3.392 0.521 -1.591 182 HB2 LEU 23 2HB LEU 23 2.929 2.333 0.765 183 HB3 LEU 23 1HB LEU 23 1.773 2.206 -0.547 184 HG LEU 23 HG LEU 23 2.686 -0.152 1.099 185 HD11 LEU 23 1HD1 LEU 23 1.000 0.163 2.584 186 HD12 LEU 23 2HD1 LEU 23 -0.024 1.002 1.417 187 HD13 LEU 23 3HD1 LEU 23 1.318 1.852 2.187 188 HD21 LEU 23 3HD2 LEU 23 1.272 -1.421 -0.115 189 HD22 LEU 23 1HD2 LEU 23 1.537 -0.178 -1.336 190 HD23 LEU 23 2HD2 LEU 23 0.101 -0.118 -0.316 191 H VAL 24 H VAL 24 5.360 3.230 -0.626 192 HA VAL 24 HA VAL 24 4.352 5.211 -2.318 193 HB VAL 24 HB VAL 24 5.994 5.669 -0.548 194 HG11 VAL 24 1HG1 VAL 24 8.115 4.553 -2.362 195 HG12 VAL 24 2HG1 VAL 24 7.371 3.601 -1.077 196 HG13 VAL 24 3HG1 VAL 24 8.267 5.069 -0.683 197 HG21 VAL 24 3HG2 VAL 24 7.209 7.366 -1.689 198 HG22 VAL 24 1HG2 VAL 24 5.661 7.196 -2.517 199 HG23 VAL 24 2HG2 VAL 24 7.118 6.492 -3.218 200 H GLY 25 H GLY 25 6.406 2.467 -2.984 201 HA2 GLY 25 2HA GLY 25 7.161 3.439 -5.610 202 HA3 GLY 25 1HA GLY 25 7.580 1.882 -4.911 203 H HIS 26 H HIS 26 4.847 1.173 -4.247 204 HA HIS 26 HA HIS 26 4.060 0.202 -6.861 205 HB2 HIS 26 2HB HIS 26 4.029 -0.951 -4.408 206 HB3 HIS 26 1HB HIS 26 2.359 -0.407 -4.522 207 HD1 HIS 26 1HD HIS 26 4.558 -1.905 -7.238 208 HD2 HIS 26 2HD HIS 26 1.022 -2.668 -5.193 209 HE1 HIS 26 1HE HIS 26 3.572 -3.942 -8.335 210 HE2 HIS 26 2HE HIS 26 1.389 -4.331 -7.140 211 H PHE 27 H PHE 27 3.198 2.770 -4.775 212 HA PHE 27 HA PHE 27 0.505 3.028 -5.829 213 HB2 PHE 27 2HB PHE 27 1.033 3.541 -3.442 214 HB3 PHE 27 1HB PHE 27 2.015 4.895 -3.991 215 HD1 PHE 27 2HD PHE 27 -1.438 3.534 -4.342 216 HD2 PHE 27 1HD PHE 27 1.049 6.977 -4.101 217 HE1 PHE 27 2HE PHE 27 -3.435 4.971 -4.344 218 HE2 PHE 27 1HE PHE 27 -0.943 8.421 -4.103 219 HZ PHE 27 HZ PHE 27 -3.189 7.418 -4.224 220 H ASN 28 H ASN 28 3.592 4.765 -5.975 221 HA ASN 28 HA ASN 28 2.636 6.846 -7.657 222 HB2 ASN 28 2HB ASN 28 4.942 6.401 -6.213 223 HB3 ASN 28 1HB ASN 28 5.498 6.260 -7.877 224 HD21 ASN 28 1HD2 ASN 28 5.687 8.328 -5.615 225 HD22 ASN 28 2HD2 ASN 28 5.339 9.819 -6.415 226 H GLU 29 H GLU 29 4.305 3.786 -8.265 227 HA GLU 29 HA GLU 29 4.812 4.099 -10.984 228 HB2 GLU 29 2HB GLU 29 5.494 2.204 -9.341 229 HB3 GLU 29 1HB GLU 29 3.985 1.451 -9.838 230 HG2 GLU 29 2HG GLU 29 4.700 1.262 -12.075 231 HG3 GLU 29 1HG GLU 29 6.067 2.343 -11.807 232 H GLY 30 H GLY 30 1.839 3.402 -9.313 233 HA2 GLY 30 2HA GLY 30 -0.290 3.790 -10.258 234 HA3 GLY 30 1HA GLY 30 0.414 3.615 -11.858 235 H LYS 31 H LYS 31 1.062 1.305 -9.329 236 HA LYS 31 HA LYS 31 -0.040 -0.809 -10.947 237 HB2 LYS 31 2HB LYS 31 1.740 -0.591 -8.635 238 HB3 LYS 31 1HB LYS 31 0.638 -1.956 -8.531 239 HG2 LYS 31 2HG LYS 31 2.116 -1.518 -11.072 240 HG3 LYS 31 1HG LYS 31 2.986 -2.174 -9.685 241 HD2 LYS 31 2HD LYS 31 1.016 -3.835 -9.526 242 HD3 LYS 31 1HD LYS 31 0.661 -3.337 -11.180 243 HE2 LYS 31 2HE LYS 31 3.271 -3.815 -11.444 244 HE3 LYS 31 1HE LYS 31 2.929 -4.916 -10.108 245 HZ1 LYS 31 3HZ LYS 31 2.649 -5.610 -12.636 246 HZ2 LYS 31 1HZ LYS 31 1.097 -4.989 -12.374 247 HZ3 LYS 31 2HZ LYS 31 1.677 -6.252 -11.411 248 H PHE 32 H PHE 32 -0.620 0.315 -7.606 249 HA PHE 32 HA PHE 32 -3.324 -0.836 -7.804 250 HB2 PHE 32 2HB PHE 32 -3.306 -1.252 -5.478 251 HB3 PHE 32 1HB PHE 32 -1.720 -1.759 -6.047 252 HD1 PHE 32 2HD PHE 32 0.255 -0.291 -5.633 253 HD2 PHE 32 1HD PHE 32 -3.552 0.462 -3.883 254 HE1 PHE 32 2HE PHE 32 1.314 1.175 -3.965 255 HE2 PHE 32 1HE PHE 32 -2.497 1.930 -2.213 256 HZ PHE 32 HZ PHE 32 -0.061 2.288 -2.253 257 H SER 33 H SER 33 -5.081 0.337 -6.911 258 HA SER 33 HA SER 33 -4.637 3.238 -6.942 259 HB2 SER 33 2HB SER 33 -6.265 2.361 -8.574 260 HB3 SER 33 1HB SER 33 -7.216 1.682 -7.252 261 HG SER 33 HG SER 33 -6.584 4.435 -7.416 262 H LEU 34 H LEU 34 -6.040 4.538 -5.471 263 HA LEU 34 HA LEU 34 -5.586 3.859 -2.800 264 HB2 LEU 34 2HB LEU 34 -7.139 5.946 -4.222 265 HB3 LEU 34 1HB LEU 34 -7.546 5.674 -2.539 266 HG LEU 34 HG LEU 34 -4.841 6.459 -3.623 267 HD11 LEU 34 1HD1 LEU 34 -6.933 7.925 -2.031 268 HD12 LEU 34 2HD1 LEU 34 -6.298 8.336 -3.625 269 HD13 LEU 34 3HD1 LEU 34 -5.269 8.482 -2.200 270 HD21 LEU 34 3HD2 LEU 34 -4.610 6.769 -0.974 271 HD22 LEU 34 1HD2 LEU 34 -4.140 5.291 -1.815 272 HD23 LEU 34 2HD2 LEU 34 -5.704 5.387 -1.007 273 H ILE 35 H ILE 35 -8.420 3.415 -4.841 274 HA ILE 35 HA ILE 35 -10.258 2.686 -2.854 275 HB ILE 35 HB ILE 35 -10.924 3.202 -5.161 276 HG12 ILE 35 2HG1 ILE 35 -12.578 1.371 -5.436 277 HG13 ILE 35 1HG1 ILE 35 -11.698 0.425 -4.239 278 HG21 ILE 35 1HG2 ILE 35 -8.976 1.956 -6.181 279 HG22 ILE 35 2HG2 ILE 35 -10.532 1.759 -6.989 280 HG23 ILE 35 3HG2 ILE 35 -9.914 0.480 -5.944 281 HD11 ILE 35 3HD1 ILE 35 -13.682 1.518 -3.309 282 HD12 ILE 35 1HD1 ILE 35 -12.998 3.090 -3.728 283 HD13 ILE 35 2HD1 ILE 35 -12.194 2.068 -2.537 284 H GLU 36 H GLU 36 -7.767 0.854 -4.506 285 HA GLU 36 HA GLU 36 -8.642 -1.716 -3.648 286 HB2 GLU 36 2HB GLU 36 -5.917 -0.782 -4.564 287 HB3 GLU 36 1HB GLU 36 -6.387 -2.463 -4.348 288 HG2 GLU 36 2HG GLU 36 -8.344 -1.556 -6.006 289 HG3 GLU 36 1HG GLU 36 -6.953 -0.611 -6.538 290 H LEU 37 H LEU 37 -6.358 0.659 -2.383 291 HA LEU 37 HA LEU 37 -5.309 -0.964 -0.318 292 HB2 LEU 37 2HB LEU 37 -4.286 1.147 -1.198 293 HB3 LEU 37 1HB LEU 37 -5.529 2.044 -0.348 294 HG LEU 37 HG LEU 37 -4.695 1.287 1.789 295 HD11 LEU 37 1HD1 LEU 37 -3.118 -0.568 0.096 296 HD12 LEU 37 2HD1 LEU 37 -3.905 -0.840 1.651 297 HD13 LEU 37 3HD1 LEU 37 -2.372 0.029 1.579 298 HD21 LEU 37 3HD2 LEU 37 -2.221 2.105 1.473 299 HD22 LEU 37 1HD2 LEU 37 -3.574 3.218 1.265 300 HD23 LEU 37 2HD2 LEU 37 -2.790 2.511 -0.147 301 H ILE 38 H ILE 38 -7.941 1.414 -0.386 302 HA ILE 38 HA ILE 38 -8.578 1.183 2.373 303 HB ILE 38 HB ILE 38 -10.403 2.083 0.141 304 HG12 ILE 38 2HG1 ILE 38 -8.616 3.798 1.875 305 HG13 ILE 38 1HG1 ILE 38 -8.183 3.280 0.248 306 HG21 ILE 38 1HG2 ILE 38 -10.536 2.153 3.104 307 HG22 ILE 38 2HG2 ILE 38 -11.821 1.936 1.916 308 HG23 ILE 38 3HG2 ILE 38 -11.163 3.544 2.219 309 HD11 ILE 38 3HD1 ILE 38 -10.351 5.154 1.105 310 HD12 ILE 38 1HD1 ILE 38 -10.371 4.380 -0.479 311 HD13 ILE 38 2HD1 ILE 38 -9.028 5.427 -0.028 312 H LYS 39 H LYS 39 -9.539 -0.559 -0.499 313 HA LYS 39 HA LYS 39 -11.824 -1.840 0.560 314 HB2 LYS 39 2HB LYS 39 -10.078 -2.169 -1.801 315 HB3 LYS 39 1HB LYS 39 -10.942 -3.614 -1.292 316 HG2 LYS 39 2HG LYS 39 -13.040 -2.179 -1.315 317 HG3 LYS 39 1HG LYS 39 -12.075 -0.983 -2.181 318 HD2 LYS 39 2HD LYS 39 -12.451 -3.843 -3.063 319 HD3 LYS 39 1HD LYS 39 -13.385 -2.476 -3.674 320 HE2 LYS 39 2HE LYS 39 -11.798 -2.384 -5.259 321 HE3 LYS 39 1HE LYS 39 -10.845 -1.577 -4.014 322 HZ1 LYS 39 3HZ LYS 39 -10.810 -4.516 -4.275 323 HZ2 LYS 39 1HZ LYS 39 -9.660 -3.499 -3.560 324 HZ3 LYS 39 2HZ LYS 39 -9.815 -3.550 -5.244 325 H PHE 40 H PHE 40 -8.395 -2.658 0.555 326 HA PHE 40 HA PHE 40 -8.738 -5.264 1.662 327 HB2 PHE 40 2HB PHE 40 -6.736 -4.547 0.355 328 HB3 PHE 40 1HB PHE 40 -6.268 -3.520 1.708 329 HD1 PHE 40 1HD PHE 40 -6.040 -4.733 4.010 330 HD2 PHE 40 2HD PHE 40 -5.914 -6.693 0.234 331 HE1 PHE 40 1HE PHE 40 -4.848 -6.626 5.036 332 HE2 PHE 40 2HE PHE 40 -4.723 -8.589 1.255 333 HZ PHE 40 HZ PHE 40 -4.189 -8.557 3.658 334 H ALA 41 H ALA 41 -7.891 -2.096 3.010 335 HA ALA 41 HA ALA 41 -7.454 -2.939 5.653 336 HB1 ALA 41 1HB ALA 41 -7.949 -0.359 4.301 337 HB2 ALA 41 2HB ALA 41 -6.669 -0.829 5.420 338 HB3 ALA 41 3HB ALA 41 -8.271 -0.416 6.033 339 H LYS 42 H LYS 42 -10.382 -2.015 3.933 340 HA LYS 42 HA LYS 42 -12.109 -1.795 6.128 341 HB2 LYS 42 2HB LYS 42 -12.518 -1.175 3.666 342 HB3 LYS 42 1HB LYS 42 -12.957 -2.863 3.445 343 HG2 LYS 42 2HG LYS 42 -14.954 -2.592 4.403 344 HG3 LYS 42 1HG LYS 42 -14.300 -1.600 5.707 345 HD2 LYS 42 2HD LYS 42 -14.060 0.100 3.616 346 HD3 LYS 42 1HD LYS 42 -15.495 -0.805 3.134 347 HE2 LYS 42 2HE LYS 42 -15.477 0.017 5.945 348 HE3 LYS 42 1HE LYS 42 -15.486 1.357 4.800 349 HZ1 LYS 42 3HZ LYS 42 -17.684 0.113 5.622 350 HZ2 LYS 42 1HZ LYS 42 -17.346 -0.801 4.240 351 HZ3 LYS 42 2HZ LYS 42 -17.559 0.872 4.116 352 H SER 43 H SER 43 -11.286 -4.590 4.104 353 HA SER 43 HA SER 43 -13.030 -6.434 5.286 354 HB2 SER 43 2HB SER 43 -10.643 -6.553 3.560 355 HB3 SER 43 1HB SER 43 -10.912 -7.995 4.540 356 HG SER 43 HG SER 43 -12.961 -6.803 2.996 357 H ARG 44 H ARG 44 -9.890 -5.254 6.273 358 HA ARG 44 HA ARG 44 -9.550 -7.250 8.327 359 HB2 ARG 44 2HB ARG 44 -8.036 -4.706 7.721 360 HB3 ARG 44 1HB ARG 44 -7.586 -5.847 8.980 361 HG2 ARG 44 2HG ARG 44 -7.937 -7.189 6.453 362 HG3 ARG 44 1HG ARG 44 -6.779 -5.865 6.318 363 HD2 ARG 44 2HD ARG 44 -5.647 -7.932 6.914 364 HD3 ARG 44 1HD ARG 44 -5.538 -6.765 8.230 365 HE ARG 44 HE ARG 44 -7.714 -8.228 8.887 366 HH11 ARG 44 1HH1 ARG 44 -4.439 -9.079 8.027 367 HH12 ARG 44 2HH1 ARG 44 -4.428 -10.517 8.990 368 HH21 ARG 44 1HH2 ARG 44 -7.700 -10.120 10.154 369 HH22 ARG 44 2HH2 ARG 44 -6.280 -11.109 10.198 370 H GLU 45 H GLU 45 -11.247 -4.318 8.046 371 HA GLU 45 HA GLU 45 -12.431 -3.056 9.516 372 HB2 GLU 45 2HB GLU 45 -11.958 -5.464 11.275 373 HB3 GLU 45 1HB GLU 45 -12.982 -4.113 11.737 374 HG2 GLU 45 2HG GLU 45 -14.658 -4.735 10.369 375 HG3 GLU 45 1HG GLU 45 -13.564 -5.329 9.120 376 H THR 46 H THR 46 -9.758 -2.420 9.236 377 HA THR 46 HA THR 46 -9.207 -1.249 11.863 378 HB THR 46 HB THR 46 -7.763 -3.208 11.780 379 HG1 THR 46 1HG THR 46 -6.278 -0.827 11.269 380 HG21 THR 46 3HG2 THR 46 -6.457 -3.821 10.014 381 HG22 THR 46 1HG2 THR 46 -6.199 -2.158 9.486 382 HG23 THR 46 2HG2 THR 46 -7.720 -2.974 9.121 383 H PHE 47 H PHE 47 -7.904 0.656 11.790 384 HA PHE 47 HA PHE 47 -7.809 1.902 9.119 385 HB2 PHE 47 2HB PHE 47 -8.222 4.053 10.197 386 HB3 PHE 47 1HB PHE 47 -9.507 2.916 10.592 387 HD1 PHE 47 2HD PHE 47 -9.346 1.698 12.837 388 HD2 PHE 47 1HD PHE 47 -7.077 5.168 11.879 389 HE1 PHE 47 2HE PHE 47 -8.979 2.115 15.235 390 HE2 PHE 47 1HE PHE 47 -6.705 5.590 14.275 391 HZ PHE 47 HZ PHE 47 -7.657 4.063 15.955 392 H ILE 48 H ILE 48 -5.657 0.428 9.842 393 HA ILE 48 HA ILE 48 -3.617 2.490 10.175 394 HB ILE 48 HB ILE 48 -3.474 -0.076 11.752 395 HG12 ILE 48 2HG1 ILE 48 -4.154 2.697 12.756 396 HG13 ILE 48 1HG1 ILE 48 -5.313 1.385 12.562 397 HG21 ILE 48 1HG2 ILE 48 -1.883 2.290 12.488 398 HG22 ILE 48 2HG2 ILE 48 -1.451 1.519 10.961 399 HG23 ILE 48 3HG2 ILE 48 -1.437 0.584 12.458 400 HD11 ILE 48 3HD1 ILE 48 -2.906 0.954 14.258 401 HD12 ILE 48 1HD1 ILE 48 -4.512 0.231 14.368 402 HD13 ILE 48 2HD1 ILE 48 -4.257 1.897 14.886 403 H ILE 49 H ILE 49 -3.005 2.239 8.045 404 HA ILE 49 HA ILE 49 -2.455 -0.347 6.917 405 HB ILE 49 HB ILE 49 -1.618 2.332 5.814 406 HG12 ILE 49 2HG1 ILE 49 -4.207 0.834 5.357 407 HG13 ILE 49 1HG1 ILE 49 -4.041 2.306 6.309 408 HG21 ILE 49 1HG2 ILE 49 -0.691 0.124 4.899 409 HG22 ILE 49 2HG2 ILE 49 -1.384 1.269 3.751 410 HG23 ILE 49 3HG2 ILE 49 -2.317 -0.137 4.265 411 HD11 ILE 49 3HD1 ILE 49 -4.916 2.819 4.127 412 HD12 ILE 49 1HD1 ILE 49 -3.544 2.023 3.357 413 HD13 ILE 49 2HD1 ILE 49 -3.295 3.495 4.295 414 H ASP 50 H ASP 50 -0.827 -1.389 7.972 415 HA ASP 50 HA ASP 50 1.781 -0.019 8.082 416 HB2 ASP 50 2HB ASP 50 0.843 -2.317 9.814 417 HB3 ASP 50 1HB ASP 50 2.366 -1.443 9.963 418 H ASP 51 H ASP 51 3.487 -2.056 8.440 419 HA ASP 51 HA ASP 51 3.858 -3.097 5.879 420 HB2 ASP 51 2HB ASP 51 5.522 -2.843 7.871 421 HB3 ASP 51 1HB ASP 51 4.991 -4.466 8.298 422 H GLU 52 H GLU 52 2.187 -4.407 8.662 423 HA GLU 52 HA GLU 52 1.977 -7.078 7.863 424 HB2 GLU 52 2HB GLU 52 1.328 -5.990 10.100 425 HB3 GLU 52 1HB GLU 52 -0.206 -5.614 9.329 426 HG2 GLU 52 2HG GLU 52 -0.522 -8.023 8.877 427 HG3 GLU 52 1HG GLU 52 0.964 -8.351 9.767 428 H ILE 53 H ILE 53 -0.186 -4.328 7.247 429 HA ILE 53 HA ILE 53 -1.955 -5.897 5.605 430 HB ILE 53 HB ILE 53 -1.823 -2.890 5.845 431 HG12 ILE 53 2HG1 ILE 53 -3.426 -4.890 7.455 432 HG13 ILE 53 1HG1 ILE 53 -2.092 -3.911 8.055 433 HG21 ILE 53 1HG2 ILE 53 -4.440 -3.653 5.430 434 HG22 ILE 53 2HG2 ILE 53 -3.525 -4.741 4.386 435 HG23 ILE 53 3HG2 ILE 53 -3.343 -2.995 4.217 436 HD11 ILE 53 3HD1 ILE 53 -3.718 -1.987 7.101 437 HD12 ILE 53 1HD1 ILE 53 -3.743 -2.576 8.763 438 HD13 ILE 53 2HD1 ILE 53 -4.898 -3.202 7.588 439 H ALA 54 H ALA 54 0.620 -3.540 5.074 440 HA ALA 54 HA ALA 54 0.283 -3.258 2.289 441 HB1 ALA 54 1HB ALA 54 1.815 -2.019 4.126 442 HB2 ALA 54 2HB ALA 54 2.075 -1.894 2.386 443 HB3 ALA 54 3HB ALA 54 3.027 -3.031 3.340 444 H ASN 55 H ASN 55 1.942 -5.635 4.247 445 HA ASN 55 HA ASN 55 3.470 -6.799 2.154 446 HB2 ASN 55 2HB ASN 55 3.943 -7.065 4.602 447 HB3 ASN 55 1HB ASN 55 2.540 -8.125 4.707 448 HD21 ASN 55 1HD2 ASN 55 5.254 -7.767 2.444 449 HD22 ASN 55 2HD2 ASN 55 5.723 -9.428 2.480 450 H GLU 56 H GLU 56 0.589 -8.051 3.851 451 HA GLU 56 HA GLU 56 0.093 -10.151 2.068 452 HB2 GLU 56 2HB GLU 56 -1.402 -8.776 4.213 453 HB3 GLU 56 1HB GLU 56 -2.390 -9.615 3.025 454 HG2 GLU 56 2HG GLU 56 -2.028 -11.499 4.117 455 HG3 GLU 56 1HG GLU 56 -0.321 -11.383 3.695 456 H PHE 57 H PHE 57 -0.829 -6.777 1.989 457 HA PHE 57 HA PHE 57 -2.852 -6.873 0.069 458 HB2 PHE 57 2HB PHE 57 -2.346 -4.862 1.377 459 HB3 PHE 57 1HB PHE 57 -0.804 -4.698 0.546 460 HD1 PHE 57 1HD PHE 57 -4.449 -4.931 -0.199 461 HD2 PHE 57 2HD PHE 57 -0.672 -3.284 -1.260 462 HE1 PHE 57 1HE PHE 57 -5.536 -3.565 -1.934 463 HE2 PHE 57 2HE PHE 57 -1.750 -1.915 -2.997 464 HZ PHE 57 HZ PHE 57 -4.186 -2.055 -3.335 465 H LEU 58 H LEU 58 0.644 -6.353 -0.380 466 HA LEU 58 HA LEU 58 0.495 -6.312 -3.219 467 HB2 LEU 58 2HB LEU 58 2.892 -6.902 -1.482 468 HB3 LEU 58 1HB LEU 58 2.920 -6.409 -3.164 469 HG LEU 58 HG LEU 58 1.747 -4.657 -1.018 470 HD11 LEU 58 1HD1 LEU 58 3.756 -3.826 -0.420 471 HD12 LEU 58 2HD1 LEU 58 4.456 -4.072 -2.020 472 HD13 LEU 58 3HD1 LEU 58 4.320 -5.428 -0.899 473 HD21 LEU 58 3HD2 LEU 58 1.140 -4.128 -3.317 474 HD22 LEU 58 1HD2 LEU 58 2.843 -4.095 -3.771 475 HD23 LEU 58 2HD2 LEU 58 2.206 -2.893 -2.650 476 H LYS 59 H LYS 59 0.911 -8.830 -0.835 477 HA LYS 59 HA LYS 59 1.803 -10.832 -2.671 478 HB2 LYS 59 2HB LYS 59 0.667 -10.991 0.121 479 HB3 LYS 59 1HB LYS 59 1.205 -12.401 -0.781 480 HG2 LYS 59 2HG LYS 59 3.382 -10.821 -0.998 481 HG3 LYS 59 1HG LYS 59 2.762 -10.311 0.574 482 HD2 LYS 59 2HD LYS 59 2.555 -12.927 0.929 483 HD3 LYS 59 1HD LYS 59 3.830 -12.949 -0.291 484 HE2 LYS 59 2HE LYS 59 4.745 -11.015 1.365 485 HE3 LYS 59 1HE LYS 59 3.898 -12.052 2.512 486 HZ1 LYS 59 3HZ LYS 59 5.627 -13.395 0.597 487 HZ2 LYS 59 1HZ LYS 59 5.378 -13.712 2.241 488 HZ3 LYS 59 2HZ LYS 59 6.408 -12.457 1.767 489 H SER 60 H SER 60 -1.301 -9.721 -1.508 490 HA SER 60 HA SER 60 -2.810 -11.938 -2.471 491 HB2 SER 60 2HB SER 60 -3.383 -9.956 -0.752 492 HB3 SER 60 1HB SER 60 -4.121 -9.285 -2.208 493 HG SER 60 HG SER 60 -5.543 -10.900 -2.258 494 H ILE 61 H ILE 61 -1.643 -8.973 -3.875 495 HA ILE 61 HA ILE 61 -3.299 -9.322 -6.256 496 HB ILE 61 HB ILE 61 -2.298 -7.191 -7.012 497 HG12 ILE 61 2HG1 ILE 61 -0.987 -7.131 -4.287 498 HG13 ILE 61 1HG1 ILE 61 -0.134 -7.496 -5.784 499 HG21 ILE 61 1HG2 ILE 61 -4.275 -7.559 -5.231 500 HG22 ILE 61 2HG2 ILE 61 -3.794 -5.974 -5.838 501 HG23 ILE 61 3HG2 ILE 61 -3.196 -6.540 -4.278 502 HD11 ILE 61 3HD1 ILE 61 -1.066 -5.207 -6.565 503 HD12 ILE 61 1HD1 ILE 61 0.323 -5.264 -5.481 504 HD13 ILE 61 2HD1 ILE 61 -1.282 -4.912 -4.840 505 H GLY 62 H GLY 62 -0.893 -11.045 -5.394 506 HA2 GLY 62 2HA GLY 62 0.860 -12.120 -6.410 507 HA3 GLY 62 1HA GLY 62 0.014 -11.767 -7.909 508 H ALA 63 H ALA 63 1.273 -9.312 -5.740 509 HA ALA 63 HA ALA 63 3.193 -8.554 -7.842 510 HB1 ALA 63 1HB ALA 63 2.864 -6.317 -7.348 511 HB2 ALA 63 2HB ALA 63 2.254 -6.658 -5.729 512 HB3 ALA 63 3HB ALA 63 1.248 -6.990 -7.139 513 H GLU 64 H GLU 64 4.738 -10.062 -6.939 514 HA GLU 64 HA GLU 64 5.902 -9.194 -4.381 515 HB2 GLU 64 2HB GLU 64 6.303 -11.794 -5.875 516 HB3 GLU 64 1HB GLU 64 6.990 -11.391 -4.308 517 HG2 GLU 64 2HG GLU 64 4.544 -11.070 -3.565 518 HG3 GLU 64 1HG GLU 64 4.150 -11.984 -5.021 519 H VAL 65 H VAL 65 7.114 -7.463 -5.166 520 HA VAL 65 HA VAL 65 8.771 -7.484 -7.412 521 HB VAL 65 HB VAL 65 9.991 -5.617 -6.336 522 HG11 VAL 65 1HG1 VAL 65 8.153 -4.856 -7.506 523 HG12 VAL 65 2HG1 VAL 65 7.841 -4.216 -5.894 524 HG13 VAL 65 3HG1 VAL 65 7.006 -5.670 -6.441 525 HG21 VAL 65 3HG2 VAL 65 8.329 -6.423 -3.962 526 HG22 VAL 65 1HG2 VAL 65 9.032 -4.813 -4.126 527 HG23 VAL 65 2HG2 VAL 65 10.079 -6.230 -4.061 528 H GLU 66 H GLU 66 11.202 -7.300 -7.330 529 HA GLU 66 HA GLU 66 12.532 -8.817 -5.259 530 HB2 GLU 66 2HB GLU 66 11.547 -10.218 -7.446 531 HB3 GLU 66 1HB GLU 66 13.239 -9.961 -7.844 532 HG2 GLU 66 2HG GLU 66 13.952 -11.060 -5.860 533 HG3 GLU 66 1HG GLU 66 12.306 -11.117 -5.230 534 H LEU 67 H LEU 67 12.705 -6.133 -6.241 535 HA LEU 67 HA LEU 67 15.509 -5.883 -6.463 536 HB2 LEU 67 2HB LEU 67 14.648 -6.613 -8.829 537 HB3 LEU 67 1HB LEU 67 14.155 -4.936 -8.956 538 HG LEU 67 HG LEU 67 16.296 -5.165 -10.000 539 HD11 LEU 67 1HD1 LEU 67 16.648 -3.902 -7.286 540 HD12 LEU 67 2HD1 LEU 67 15.927 -3.126 -8.697 541 HD13 LEU 67 3HD1 LEU 67 17.629 -3.590 -8.718 542 HD21 LEU 67 3HD2 LEU 67 18.208 -5.809 -8.245 543 HD22 LEU 67 1HD2 LEU 67 17.411 -6.997 -9.276 544 HD23 LEU 67 2HD2 LEU 67 16.890 -6.790 -7.603 545 HA PRO 68 HA PRO 68 13.280 -2.175 -4.879 546 HB2 PRO 68 2HB PRO 68 15.045 -1.669 -2.882 547 HB3 PRO 68 1HB PRO 68 13.716 -2.825 -2.717 548 HG2 PRO 68 2HG PRO 68 16.605 -3.333 -3.321 549 HG3 PRO 68 1HG PRO 68 15.522 -4.204 -2.219 550 HD2 PRO 68 2HD PRO 68 16.126 -5.119 -4.695 551 HD3 PRO 68 1HD PRO 68 14.553 -5.413 -3.927 552 H GLN 69 H GLN 69 13.604 -0.425 -6.094 553 HA GLN 69 HA GLN 69 16.361 0.559 -6.422 554 HB2 GLN 69 2HB GLN 69 14.958 -0.461 -8.468 555 HB3 GLN 69 1HB GLN 69 14.362 1.192 -8.524 556 HG2 GLN 69 2HG GLN 69 16.370 2.047 -9.163 557 HG3 GLN 69 1HG GLN 69 17.292 0.790 -8.343 558 HE21 GLN 69 1HE2 GLN 69 18.528 -0.022 -9.909 559 HE22 GLN 69 2HE2 GLN 69 17.949 -0.669 -11.402 560 H GLU 70 H GLU 70 16.173 2.029 -4.730 561 HA GLU 70 HA GLU 70 14.483 4.352 -5.336 562 HB2 GLU 70 2HB GLU 70 14.416 2.662 -2.926 563 HB3 GLU 70 1HB GLU 70 14.499 4.390 -2.608 564 HG2 GLU 70 2HG GLU 70 12.289 4.372 -2.812 565 HG3 GLU 70 1HG GLU 70 12.571 4.233 -4.547 566 H ILE 71 H ILE 71 17.431 3.565 -5.499 567 HA ILE 71 HA ILE 71 19.440 4.609 -5.282 568 HB ILE 71 HB ILE 71 17.924 7.012 -4.269 569 HG12 ILE 71 2HG1 ILE 71 16.881 6.286 -6.343 570 HG13 ILE 71 1HG1 ILE 71 17.833 7.737 -6.640 571 HG21 ILE 71 1HG2 ILE 71 20.585 6.642 -4.386 572 HG22 ILE 71 2HG2 ILE 71 19.807 8.211 -4.598 573 HG23 ILE 71 3HG2 ILE 71 20.291 7.267 -6.008 574 HD11 ILE 71 3HD1 ILE 71 19.569 5.617 -7.125 575 HD12 ILE 71 1HD1 ILE 71 18.788 6.657 -8.316 576 HD13 ILE 71 2HD1 ILE 71 18.030 5.137 -7.841 577 H LYS 72 H LYS 72 21.033 4.746 -3.759 578 HA LYS 72 HA LYS 72 20.487 5.383 -1.017 579 HB2 LYS 72 2HB LYS 72 20.140 2.696 -1.808 580 HB3 LYS 72 1HB LYS 72 21.662 2.757 -0.928 581 HG2 LYS 72 2HG LYS 72 20.663 3.318 1.043 582 HG3 LYS 72 1HG LYS 72 19.305 4.122 0.255 583 HD2 LYS 72 2HD LYS 72 18.960 1.557 -0.577 584 HD3 LYS 72 1HD LYS 72 19.650 1.308 1.029 585 HE2 LYS 72 2HE LYS 72 17.921 2.929 1.891 586 HE3 LYS 72 1HE LYS 72 17.166 2.845 0.300 587 HZ1 LYS 72 3HZ LYS 72 16.129 1.314 1.847 588 HZ2 LYS 72 1HZ LYS 72 17.609 0.545 2.125 589 HZ3 LYS 72 2HZ LYS 72 16.887 0.463 0.598 Start of MODEL 4 1 H MET 1 H MET 1 4.682 17.310 -1.222 2 HA MET 1 HA MET 1 2.344 16.943 0.513 3 HB2 MET 1 2HB MET 1 2.765 18.658 -1.858 4 HB3 MET 1 1HB MET 1 1.329 17.645 -1.909 5 HG2 MET 1 2HG MET 1 0.285 19.167 -0.699 6 HG3 MET 1 1HG MET 1 1.351 18.769 0.646 7 HE1 MET 1 2HE MET 1 0.222 21.417 -1.867 8 HE2 MET 1 3HE MET 1 1.558 20.724 -2.786 9 HE3 MET 1 1HE MET 1 1.670 22.374 -2.176 10 H ASP 2 H ASP 2 1.232 15.104 0.056 11 HA ASP 2 HA ASP 2 1.924 13.575 -2.335 12 HB2 ASP 2 2HB ASP 2 2.518 12.787 0.463 13 HB3 ASP 2 1HB ASP 2 1.859 11.533 -0.585 14 H GLU 3 H GLU 3 0.264 12.381 -3.149 15 HA GLU 3 HA GLU 3 -2.359 12.897 -2.076 16 HB2 GLU 3 2HB GLU 3 -1.434 11.322 -4.482 17 HB3 GLU 3 1HB GLU 3 -3.123 11.578 -4.066 18 HG2 GLU 3 2HG GLU 3 -3.011 13.375 -5.363 19 HG3 GLU 3 1HG GLU 3 -2.107 14.124 -4.048 20 H PHE 4 H PHE 4 -0.094 10.254 -2.117 21 HA PHE 4 HA PHE 4 -1.850 8.141 -1.522 22 HB2 PHE 4 2HB PHE 4 0.592 7.988 -2.226 23 HB3 PHE 4 1HB PHE 4 1.001 8.346 -0.552 24 HD1 PHE 4 1HD PHE 4 -1.636 6.167 -2.031 25 HD2 PHE 4 2HD PHE 4 1.860 6.425 0.382 26 HE1 PHE 4 1HE PHE 4 -1.849 3.782 -1.474 27 HE2 PHE 4 2HE PHE 4 1.653 4.039 0.943 28 HZ PHE 4 HZ PHE 4 -0.203 2.713 0.015 29 H VAL 5 H VAL 5 0.327 9.864 0.724 30 HA VAL 5 HA VAL 5 -0.788 8.804 3.067 31 HB VAL 5 HB VAL 5 0.544 11.503 2.827 32 HG11 VAL 5 1HG1 VAL 5 0.991 9.763 5.160 33 HG12 VAL 5 2HG1 VAL 5 -0.640 10.413 4.994 34 HG13 VAL 5 3HG1 VAL 5 0.742 11.506 5.072 35 HG21 VAL 5 3HG2 VAL 5 2.149 10.190 1.841 36 HG22 VAL 5 1HG2 VAL 5 1.664 8.743 2.725 37 HG23 VAL 5 2HG2 VAL 5 2.582 10.008 3.540 38 H LYS 6 H LYS 6 -1.270 12.038 1.633 39 HA LYS 6 HA LYS 6 -3.240 12.893 3.422 40 HB2 LYS 6 2HB LYS 6 -1.912 14.213 1.626 41 HB3 LYS 6 1HB LYS 6 -3.213 13.743 0.541 42 HG2 LYS 6 2HG LYS 6 -4.656 15.204 1.433 43 HG3 LYS 6 1HG LYS 6 -4.111 14.892 3.082 44 HD2 LYS 6 2HD LYS 6 -2.354 16.404 1.192 45 HD3 LYS 6 1HD LYS 6 -3.697 17.226 1.991 46 HE2 LYS 6 2HE LYS 6 -1.825 15.577 3.624 47 HE3 LYS 6 1HE LYS 6 -1.304 17.170 3.076 48 HZ1 LYS 6 3HZ LYS 6 -2.528 16.898 5.335 49 HZ2 LYS 6 1HZ LYS 6 -3.924 16.888 4.379 50 HZ3 LYS 6 2HZ LYS 6 -2.881 18.220 4.341 51 H GLY 7 H GLY 7 -3.506 11.144 0.360 52 HA2 GLY 7 2HA GLY 7 -6.287 11.238 0.066 53 HA3 GLY 7 1HA GLY 7 -5.248 9.974 -0.572 54 H LEU 8 H LEU 8 -4.306 9.288 2.167 55 HA LEU 8 HA LEU 8 -6.486 7.483 2.807 56 HB2 LEU 8 2HB LEU 8 -3.688 7.736 3.910 57 HB3 LEU 8 1HB LEU 8 -4.841 6.519 4.422 58 HG LEU 8 HG LEU 8 -4.038 6.760 1.540 59 HD11 LEU 8 1HD1 LEU 8 -2.534 5.500 3.797 60 HD12 LEU 8 2HD1 LEU 8 -1.932 6.472 2.454 61 HD13 LEU 8 3HD1 LEU 8 -2.459 4.813 2.175 62 HD21 LEU 8 3HD2 LEU 8 -6.005 5.341 2.595 63 HD22 LEU 8 1HD2 LEU 8 -4.687 4.219 2.934 64 HD23 LEU 8 2HD2 LEU 8 -5.017 4.717 1.274 65 H MET 9 H MET 9 -4.586 9.996 4.447 66 HA MET 9 HA MET 9 -5.802 9.877 6.944 67 HB2 MET 9 2HB MET 9 -3.860 11.428 5.786 68 HB3 MET 9 1HB MET 9 -5.152 12.594 6.041 69 HG2 MET 9 2HG MET 9 -3.791 12.683 7.955 70 HG3 MET 9 1HG MET 9 -5.244 11.804 8.426 71 HE1 MET 9 3HE MET 9 -1.441 11.777 7.977 72 HE2 MET 9 1HE MET 9 -1.862 10.817 6.558 73 HE3 MET 9 2HE MET 9 -1.019 10.066 7.913 74 H LYS 10 H LYS 10 -6.941 11.260 3.958 75 HA LYS 10 HA LYS 10 -8.906 12.990 4.948 76 HB2 LYS 10 2HB LYS 10 -8.706 11.435 2.374 77 HB3 LYS 10 1HB LYS 10 -10.026 12.548 2.700 78 HG2 LYS 10 2HG LYS 10 -7.208 13.488 2.971 79 HG3 LYS 10 1HG LYS 10 -7.939 13.342 1.370 80 HD2 LYS 10 2HD LYS 10 -9.862 14.728 2.288 81 HD3 LYS 10 1HD LYS 10 -8.822 15.064 3.674 82 HE2 LYS 10 2HE LYS 10 -7.679 15.495 0.974 83 HE3 LYS 10 1HE LYS 10 -8.906 16.635 1.523 84 HZ1 LYS 10 3HZ LYS 10 -6.249 16.083 2.677 85 HZ2 LYS 10 1HZ LYS 10 -7.475 16.755 3.632 86 HZ3 LYS 10 2HZ LYS 10 -6.936 17.568 2.251 87 H ASN 11 H ASN 11 -8.961 9.524 4.325 88 HA ASN 11 HA ASN 11 -11.745 9.387 5.229 89 HB2 ASN 11 2HB ASN 11 -9.962 7.318 3.929 90 HB3 ASN 11 1HB ASN 11 -11.610 7.007 4.465 91 HD21 ASN 11 1HD2 ASN 11 -9.655 8.968 2.297 92 HD22 ASN 11 2HD2 ASN 11 -10.894 9.232 1.121 93 H GLY 12 H GLY 12 -9.476 9.930 7.034 94 HA2 GLY 12 2HA GLY 12 -8.765 9.314 9.126 95 HA3 GLY 12 1HA GLY 12 -10.243 8.370 9.218 96 H TYR 13 H TYR 13 -7.176 8.155 7.407 97 HA TYR 13 HA TYR 13 -6.860 5.425 8.452 98 HB2 TYR 13 2HB TYR 13 -6.921 6.333 5.615 99 HB3 TYR 13 1HB TYR 13 -5.762 5.079 6.043 100 HD1 TYR 13 1HD TYR 13 -6.516 2.871 6.738 101 HD2 TYR 13 2HD TYR 13 -9.309 5.902 5.679 102 HE1 TYR 13 1HE TYR 13 -8.289 1.174 6.576 103 HE2 TYR 13 2HE TYR 13 -11.089 4.214 5.515 104 HH TYR 13 HH TYR 13 -11.099 1.590 5.037 105 H LEU 14 H LEU 14 -4.777 4.780 8.889 106 HA LEU 14 HA LEU 14 -2.711 6.862 8.596 107 HB2 LEU 14 2HB LEU 14 -3.055 4.788 10.763 108 HB3 LEU 14 1HB LEU 14 -1.660 5.841 10.616 109 HG LEU 14 HG LEU 14 -4.475 6.855 10.994 110 HD11 LEU 14 1HD1 LEU 14 -3.530 7.369 13.338 111 HD12 LEU 14 2HD1 LEU 14 -2.364 6.096 12.975 112 HD13 LEU 14 3HD1 LEU 14 -4.090 5.733 12.988 113 HD21 LEU 14 3HD2 LEU 14 -3.615 8.942 11.026 114 HD22 LEU 14 1HD2 LEU 14 -2.355 8.202 10.038 115 HD23 LEU 14 2HD2 LEU 14 -2.101 8.425 11.769 116 H ILE 15 H ILE 15 -0.429 5.762 8.912 117 HA ILE 15 HA ILE 15 -0.141 3.132 7.818 118 HB ILE 15 HB ILE 15 -0.663 4.340 5.753 119 HG12 ILE 15 2HG1 ILE 15 2.290 3.716 5.778 120 HG13 ILE 15 1HG1 ILE 15 1.058 2.461 5.871 121 HG21 ILE 15 1HG2 ILE 15 -0.074 6.501 5.737 122 HG22 ILE 15 2HG2 ILE 15 1.475 5.908 5.136 123 HG23 ILE 15 3HG2 ILE 15 1.266 6.248 6.854 124 HD11 ILE 15 3HD1 ILE 15 0.627 4.324 3.678 125 HD12 ILE 15 1HD1 ILE 15 0.650 2.561 3.687 126 HD13 ILE 15 2HD1 ILE 15 2.163 3.462 3.578 127 H THR 16 H THR 16 1.959 2.343 8.000 128 HA THR 16 HA THR 16 3.663 3.859 9.787 129 HB THR 16 HB THR 16 5.079 1.739 9.708 130 HG1 THR 16 1HG THR 16 3.941 -0.102 8.879 131 HG21 THR 16 3HG2 THR 16 2.209 1.566 10.633 132 HG22 THR 16 1HG2 THR 16 3.573 2.194 11.557 133 HG23 THR 16 2HG2 THR 16 3.504 0.482 11.140 134 HA PRO 17 HA PRO 17 6.483 5.551 6.840 135 HB2 PRO 17 2HB PRO 17 8.606 4.583 8.694 136 HB3 PRO 17 1HB PRO 17 8.348 6.198 8.023 137 HG2 PRO 17 2HG PRO 17 7.724 5.665 10.556 138 HG3 PRO 17 1HG PRO 17 6.698 6.720 9.566 139 HD2 PRO 17 2HD PRO 17 6.264 3.888 10.400 140 HD3 PRO 17 1HD PRO 17 5.084 5.198 10.188 141 H SER 18 H SER 18 7.541 2.475 8.303 142 HA SER 18 HA SER 18 9.242 1.673 6.233 143 HB2 SER 18 2HB SER 18 8.874 0.677 8.621 144 HB3 SER 18 1HB SER 18 7.667 -0.331 7.821 145 HG SER 18 HG SER 18 9.306 -1.068 6.425 146 H ALA 19 H ALA 19 5.773 1.462 6.572 147 HA ALA 19 HA ALA 19 5.437 -0.360 4.366 148 HB1 ALA 19 1HB ALA 19 3.257 1.328 5.547 149 HB2 ALA 19 2HB ALA 19 3.891 -0.082 6.394 150 HB3 ALA 19 3HB ALA 19 3.146 -0.269 4.807 151 H TYR 20 H TYR 20 5.137 3.117 4.904 152 HA TYR 20 HA TYR 20 3.979 3.820 2.459 153 HB2 TYR 20 2HB TYR 20 4.136 5.390 4.318 154 HB3 TYR 20 1HB TYR 20 5.892 5.393 4.198 155 HD1 TYR 20 1HD TYR 20 2.779 6.388 2.461 156 HD2 TYR 20 2HD TYR 20 7.008 6.805 2.659 157 HE1 TYR 20 1HE TYR 20 2.660 8.271 0.885 158 HE2 TYR 20 2HE TYR 20 6.901 8.690 1.085 159 HH TYR 20 HH TYR 20 4.157 10.342 0.375 160 H TYR 21 H TYR 21 7.358 3.341 3.362 161 HA TYR 21 HA TYR 21 8.489 4.274 0.950 162 HB2 TYR 21 2HB TYR 21 9.440 2.604 3.233 163 HB3 TYR 21 1HB TYR 21 10.398 2.622 1.755 164 HD1 TYR 21 1HD TYR 21 8.663 5.089 3.973 165 HD2 TYR 21 2HD TYR 21 12.122 4.144 1.685 166 HE1 TYR 21 1HE TYR 21 9.702 7.202 4.682 167 HE2 TYR 21 2HE TYR 21 13.173 6.252 2.389 168 HH TYR 21 HH TYR 21 11.424 8.731 3.990 169 H LEU 22 H LEU 22 6.914 1.318 1.783 170 HA LEU 22 HA LEU 22 8.017 -0.103 -0.509 171 HB2 LEU 22 2HB LEU 22 6.023 -0.958 1.590 172 HB3 LEU 22 1HB LEU 22 6.637 -1.992 0.313 173 HG LEU 22 HG LEU 22 8.406 -0.710 2.390 174 HD11 LEU 22 1HD1 LEU 22 6.746 -3.149 2.494 175 HD12 LEU 22 2HD1 LEU 22 7.318 -2.105 3.794 176 HD13 LEU 22 3HD1 LEU 22 8.403 -3.294 3.077 177 HD21 LEU 22 3HD2 LEU 22 9.827 -2.741 1.631 178 HD22 LEU 22 1HD2 LEU 22 9.767 -1.302 0.612 179 HD23 LEU 22 2HD2 LEU 22 8.793 -2.714 0.203 180 H LEU 23 H LEU 23 5.102 1.539 0.476 181 HA LEU 23 HA LEU 23 3.638 0.582 -1.855 182 HB2 LEU 23 2HB LEU 23 2.764 2.504 0.300 183 HB3 LEU 23 1HB LEU 23 1.736 1.776 -0.920 184 HG LEU 23 HG LEU 23 3.140 0.317 1.319 185 HD11 LEU 23 1HD1 LEU 23 0.909 1.809 1.527 186 HD12 LEU 23 2HD1 LEU 23 1.214 0.359 2.484 187 HD13 LEU 23 3HD1 LEU 23 0.211 0.266 1.037 188 HD21 LEU 23 3HD2 LEU 23 3.089 -1.290 -0.321 189 HD22 LEU 23 1HD2 LEU 23 1.650 -0.618 -1.088 190 HD23 LEU 23 2HD2 LEU 23 1.505 -1.521 0.420 191 H VAL 24 H VAL 24 5.434 3.342 -0.805 192 HA VAL 24 HA VAL 24 4.348 5.377 -2.345 193 HB VAL 24 HB VAL 24 6.100 5.751 -0.667 194 HG11 VAL 24 1HG1 VAL 24 8.418 5.258 -1.112 195 HG12 VAL 24 2HG1 VAL 24 8.010 4.600 -2.697 196 HG13 VAL 24 3HG1 VAL 24 7.475 3.772 -1.236 197 HG21 VAL 24 3HG2 VAL 24 7.095 7.568 -1.723 198 HG22 VAL 24 1HG2 VAL 24 5.634 7.301 -2.674 199 HG23 VAL 24 2HG2 VAL 24 7.194 6.739 -3.275 200 H GLY 25 H GLY 25 6.630 2.840 -3.259 201 HA2 GLY 25 2HA GLY 25 7.040 3.922 -5.903 202 HA3 GLY 25 1HA GLY 25 7.633 2.382 -5.300 203 H HIS 26 H HIS 26 5.097 1.346 -4.477 204 HA HIS 26 HA HIS 26 4.220 0.287 -6.976 205 HB2 HIS 26 2HB HIS 26 4.180 -0.636 -4.422 206 HB3 HIS 26 1HB HIS 26 2.503 -0.132 -4.610 207 HD1 HIS 26 1HD HIS 26 4.979 -2.129 -6.716 208 HD2 HIS 26 2HD HIS 26 1.000 -2.173 -5.523 209 HE1 HIS 26 1HE HIS 26 3.992 -4.201 -7.744 210 HE2 HIS 26 2HE HIS 26 1.563 -4.164 -7.075 211 H PHE 27 H PHE 27 3.312 3.010 -5.116 212 HA PHE 27 HA PHE 27 0.652 3.163 -6.301 213 HB2 PHE 27 2HB PHE 27 0.992 3.730 -3.899 214 HB3 PHE 27 1HB PHE 27 2.008 5.081 -4.395 215 HD1 PHE 27 1HD PHE 27 -1.414 3.698 -4.879 216 HD2 PHE 27 2HD PHE 27 1.058 7.157 -4.715 217 HE1 PHE 27 1HE PHE 27 -3.410 5.126 -5.054 218 HE2 PHE 27 2HE PHE 27 -0.932 8.593 -4.888 219 HZ PHE 27 HZ PHE 27 -3.170 7.577 -5.058 220 H ASN 28 H ASN 28 3.718 4.938 -6.290 221 HA ASN 28 HA ASN 28 2.903 7.036 -7.982 222 HB2 ASN 28 2HB ASN 28 5.173 6.464 -6.564 223 HB3 ASN 28 1HB ASN 28 5.720 6.220 -8.221 224 HD21 ASN 28 1HD2 ASN 28 6.078 8.342 -6.033 225 HD22 ASN 28 2HD2 ASN 28 5.853 9.828 -6.882 226 H GLU 29 H GLU 29 4.531 3.958 -8.686 227 HA GLU 29 HA GLU 29 4.866 4.315 -11.434 228 HB2 GLU 29 2HB GLU 29 5.684 2.425 -9.807 229 HB3 GLU 29 1HB GLU 29 4.209 1.616 -10.318 230 HG2 GLU 29 2HG GLU 29 5.838 0.795 -11.754 231 HG3 GLU 29 1HG GLU 29 5.013 2.032 -12.702 232 H GLY 30 H GLY 30 2.044 3.458 -9.576 233 HA2 GLY 30 2HA GLY 30 -0.158 3.786 -10.390 234 HA3 GLY 30 1HA GLY 30 0.449 3.615 -12.030 235 H LYS 31 H LYS 31 1.116 1.431 -9.345 236 HA LYS 31 HA LYS 31 0.161 -0.795 -10.922 237 HB2 LYS 31 2HB LYS 31 2.113 -0.466 -8.951 238 HB3 LYS 31 1HB LYS 31 0.875 -1.456 -8.189 239 HG2 LYS 31 2HG LYS 31 2.049 -2.099 -10.878 240 HG3 LYS 31 1HG LYS 31 2.726 -2.694 -9.361 241 HD2 LYS 31 2HD LYS 31 0.683 -3.850 -8.839 242 HD3 LYS 31 1HD LYS 31 -0.128 -3.133 -10.231 243 HE2 LYS 31 2HE LYS 31 2.355 -4.655 -10.759 244 HE3 LYS 31 1HE LYS 31 0.938 -5.584 -10.271 245 HZ1 LYS 31 3HZ LYS 31 -0.108 -3.967 -12.120 246 HZ2 LYS 31 1HZ LYS 31 0.488 -5.514 -12.454 247 HZ3 LYS 31 2HZ LYS 31 1.455 -4.156 -12.738 248 H PHE 32 H PHE 32 -0.519 0.384 -7.618 249 HA PHE 32 HA PHE 32 -3.192 -0.830 -7.852 250 HB2 PHE 32 2HB PHE 32 -3.226 -1.126 -5.491 251 HB3 PHE 32 1HB PHE 32 -1.649 -1.686 -6.036 252 HD1 PHE 32 2HD PHE 32 0.308 -0.040 -5.839 253 HD2 PHE 32 1HD PHE 32 -3.397 0.453 -3.806 254 HE1 PHE 32 2HE PHE 32 1.397 1.469 -4.228 255 HE2 PHE 32 1HE PHE 32 -2.315 1.964 -2.193 256 HZ PHE 32 HZ PHE 32 0.085 2.474 -2.404 257 H SER 33 H SER 33 -4.883 0.314 -6.487 258 HA SER 33 HA SER 33 -4.592 3.223 -6.848 259 HB2 SER 33 2HB SER 33 -6.282 2.158 -8.327 260 HB3 SER 33 1HB SER 33 -7.146 1.596 -6.895 261 HG SER 33 HG SER 33 -6.570 4.325 -7.403 262 H LEU 34 H LEU 34 -5.727 4.592 -5.325 263 HA LEU 34 HA LEU 34 -5.217 3.929 -2.656 264 HB2 LEU 34 2HB LEU 34 -6.562 6.135 -4.086 265 HB3 LEU 34 1HB LEU 34 -7.028 5.926 -2.410 266 HG LEU 34 HG LEU 34 -4.190 6.301 -3.366 267 HD11 LEU 34 1HD1 LEU 34 -5.972 8.275 -1.953 268 HD12 LEU 34 2HD1 LEU 34 -5.657 8.288 -3.688 269 HD13 LEU 34 3HD1 LEU 34 -4.335 8.544 -2.550 270 HD21 LEU 34 3HD2 LEU 34 -3.798 6.739 -0.930 271 HD22 LEU 34 1HD2 LEU 34 -4.201 5.069 -1.328 272 HD23 LEU 34 2HD2 LEU 34 -5.423 6.127 -0.625 273 H ILE 35 H ILE 35 -8.279 3.998 -4.455 274 HA ILE 35 HA ILE 35 -9.977 3.316 -2.344 275 HB ILE 35 HB ILE 35 -10.794 4.123 -4.515 276 HG12 ILE 35 2HG1 ILE 35 -12.738 2.640 -4.698 277 HG13 ILE 35 1HG1 ILE 35 -11.882 1.390 -3.801 278 HG21 ILE 35 1HG2 ILE 35 -9.113 2.454 -5.699 279 HG22 ILE 35 2HG2 ILE 35 -10.582 3.020 -6.495 280 HG23 ILE 35 3HG2 ILE 35 -10.548 1.430 -5.734 281 HD11 ILE 35 3HD1 ILE 35 -13.508 2.599 -2.426 282 HD12 ILE 35 1HD1 ILE 35 -12.623 4.096 -2.716 283 HD13 ILE 35 2HD1 ILE 35 -11.860 2.778 -1.826 284 H GLU 36 H GLU 36 -7.879 1.350 -4.322 285 HA GLU 36 HA GLU 36 -9.043 -1.157 -3.576 286 HB2 GLU 36 2HB GLU 36 -6.368 -0.477 -4.805 287 HB3 GLU 36 1HB GLU 36 -6.963 -2.115 -4.576 288 HG2 GLU 36 2HG GLU 36 -8.926 -0.534 -5.946 289 HG3 GLU 36 1HG GLU 36 -7.372 -0.434 -6.771 290 H LEU 37 H LEU 37 -6.366 0.817 -2.422 291 HA LEU 37 HA LEU 37 -5.298 -1.106 -0.633 292 HB2 LEU 37 2HB LEU 37 -3.971 0.776 -1.394 293 HB3 LEU 37 1HB LEU 37 -5.094 1.905 -0.658 294 HG LEU 37 HG LEU 37 -4.478 0.996 1.577 295 HD11 LEU 37 1HD1 LEU 37 -3.039 -0.706 1.890 296 HD12 LEU 37 2HD1 LEU 37 -2.030 -0.247 0.520 297 HD13 LEU 37 3HD1 LEU 37 -3.521 -1.151 0.252 298 HD21 LEU 37 3HD2 LEU 37 -3.329 2.925 1.278 299 HD22 LEU 37 1HD2 LEU 37 -2.621 2.398 -0.249 300 HD23 LEU 37 2HD2 LEU 37 -1.955 1.820 1.279 301 H ILE 38 H ILE 38 -7.674 1.482 -0.281 302 HA ILE 38 HA ILE 38 -7.967 1.242 2.532 303 HB ILE 38 HB ILE 38 -10.005 2.289 0.564 304 HG12 ILE 38 2HG1 ILE 38 -8.028 3.966 2.090 305 HG13 ILE 38 1HG1 ILE 38 -7.620 3.294 0.515 306 HG21 ILE 38 1HG2 ILE 38 -10.965 3.460 2.389 307 HG22 ILE 38 2HG2 ILE 38 -9.620 3.041 3.452 308 HG23 ILE 38 3HG2 ILE 38 -10.745 1.792 2.919 309 HD11 ILE 38 3HD1 ILE 38 -8.400 5.571 0.306 310 HD12 ILE 38 1HD1 ILE 38 -9.910 5.149 1.112 311 HD13 ILE 38 2HD1 ILE 38 -9.530 4.460 -0.466 312 H LYS 39 H LYS 39 -9.575 -0.258 -0.220 313 HA LYS 39 HA LYS 39 -11.717 -1.446 1.138 314 HB2 LYS 39 2HB LYS 39 -10.396 -1.760 -1.461 315 HB3 LYS 39 1HB LYS 39 -11.127 -3.242 -0.863 316 HG2 LYS 39 2HG LYS 39 -13.233 -2.463 -1.096 317 HG3 LYS 39 1HG LYS 39 -12.782 -0.804 -0.699 318 HD2 LYS 39 2HD LYS 39 -12.489 -0.257 -2.853 319 HD3 LYS 39 1HD LYS 39 -11.609 -1.747 -3.198 320 HE2 LYS 39 2HE LYS 39 -13.482 -2.019 -4.504 321 HE3 LYS 39 1HE LYS 39 -13.972 -2.843 -3.025 322 HZ1 LYS 39 3HZ LYS 39 -14.736 -0.117 -3.904 323 HZ2 LYS 39 1HZ LYS 39 -15.037 -0.707 -2.348 324 HZ3 LYS 39 2HZ LYS 39 -15.751 -1.452 -3.688 325 H PHE 40 H PHE 40 -8.401 -2.532 0.626 326 HA PHE 40 HA PHE 40 -8.701 -5.143 1.626 327 HB2 PHE 40 2HB PHE 40 -6.733 -4.262 0.324 328 HB3 PHE 40 1HB PHE 40 -6.207 -3.444 1.793 329 HD1 PHE 40 2HD PHE 40 -5.483 -4.756 3.746 330 HD2 PHE 40 1HD PHE 40 -6.428 -6.598 0.028 331 HE1 PHE 40 2HE PHE 40 -4.308 -6.796 4.463 332 HE2 PHE 40 1HE PHE 40 -5.257 -8.643 0.739 333 HZ PHE 40 HZ PHE 40 -4.194 -8.743 2.959 334 H ALA 41 H ALA 41 -7.793 -2.108 3.218 335 HA ALA 41 HA ALA 41 -7.455 -3.316 5.789 336 HB1 ALA 41 1HB ALA 41 -6.284 -1.254 5.124 337 HB2 ALA 41 2HB ALA 41 -7.203 -1.054 6.615 338 HB3 ALA 41 3HB ALA 41 -7.830 -0.404 5.100 339 H LYS 42 H LYS 42 -10.092 -1.780 4.078 340 HA LYS 42 HA LYS 42 -11.806 -1.276 6.232 341 HB2 LYS 42 2HB LYS 42 -11.925 -1.050 3.448 342 HB3 LYS 42 1HB LYS 42 -13.246 -2.132 3.864 343 HG2 LYS 42 2HG LYS 42 -14.423 -0.515 4.914 344 HG3 LYS 42 1HG LYS 42 -12.978 0.305 5.508 345 HD2 LYS 42 2HD LYS 42 -12.825 1.629 3.686 346 HD3 LYS 42 1HD LYS 42 -13.348 0.351 2.588 347 HE2 LYS 42 2HE LYS 42 -15.622 0.829 4.015 348 HE3 LYS 42 1HE LYS 42 -14.904 2.436 3.941 349 HZ1 LYS 42 3HZ LYS 42 -16.464 1.622 2.055 350 HZ2 LYS 42 1HZ LYS 42 -15.082 0.824 1.489 351 HZ3 LYS 42 2HZ LYS 42 -15.076 2.507 1.668 352 H SER 43 H SER 43 -11.586 -4.131 4.119 353 HA SER 43 HA SER 43 -13.622 -5.621 5.325 354 HB2 SER 43 2HB SER 43 -12.164 -7.611 4.419 355 HB3 SER 43 1HB SER 43 -12.938 -6.499 3.288 356 HG SER 43 HG SER 43 -10.485 -7.066 3.225 357 H ARG 44 H ARG 44 -10.285 -5.121 6.225 358 HA ARG 44 HA ARG 44 -10.308 -7.216 8.217 359 HB2 ARG 44 2HB ARG 44 -8.255 -6.582 6.951 360 HB3 ARG 44 1HB ARG 44 -8.265 -5.032 7.782 361 HG2 ARG 44 2HG ARG 44 -7.173 -5.903 9.495 362 HG3 ARG 44 1HG ARG 44 -8.430 -7.122 9.718 363 HD2 ARG 44 2HD ARG 44 -6.261 -7.390 7.652 364 HD3 ARG 44 1HD ARG 44 -6.070 -7.969 9.305 365 HE ARG 44 HE ARG 44 -8.416 -9.079 8.443 366 HH11 ARG 44 1HH1 ARG 44 -5.112 -9.099 7.322 367 HH12 ARG 44 2HH1 ARG 44 -5.231 -10.674 6.611 368 HH21 ARG 44 1HH2 ARG 44 -8.575 -11.150 7.509 369 HH22 ARG 44 2HH2 ARG 44 -7.198 -11.839 6.718 370 H GLU 45 H GLU 45 -11.528 -4.107 8.083 371 HA GLU 45 HA GLU 45 -12.363 -2.674 9.635 372 HB2 GLU 45 2HB GLU 45 -12.113 -5.189 11.266 373 HB3 GLU 45 1HB GLU 45 -12.687 -3.693 11.989 374 HG2 GLU 45 2HG GLU 45 -14.697 -3.865 11.038 375 HG3 GLU 45 1HG GLU 45 -14.030 -4.382 9.491 376 H THR 46 H THR 46 -9.939 -1.969 9.106 377 HA THR 46 HA THR 46 -8.878 -1.060 11.646 378 HB THR 46 HB THR 46 -7.624 -3.116 11.390 379 HG1 THR 46 1HG THR 46 -5.903 -2.054 11.999 380 HG21 THR 46 3HG2 THR 46 -6.709 -2.065 8.712 381 HG22 THR 46 1HG2 THR 46 -7.925 -3.323 8.927 382 HG23 THR 46 2HG2 THR 46 -6.265 -3.600 9.459 383 H PHE 47 H PHE 47 -8.165 0.977 11.492 384 HA PHE 47 HA PHE 47 -8.000 2.165 8.821 385 HB2 PHE 47 2HB PHE 47 -8.099 4.336 10.069 386 HB3 PHE 47 1HB PHE 47 -9.508 3.307 10.304 387 HD1 PHE 47 1HD PHE 47 -6.526 4.729 11.868 388 HD2 PHE 47 2HD PHE 47 -9.959 2.281 12.440 389 HE1 PHE 47 1HE PHE 47 -6.214 4.869 14.304 390 HE2 PHE 47 2HE PHE 47 -9.655 2.416 14.877 391 HZ PHE 47 HZ PHE 47 -7.780 3.711 15.813 392 H ILE 48 H ILE 48 -5.848 0.518 9.992 393 HA ILE 48 HA ILE 48 -3.698 2.510 9.773 394 HB ILE 48 HB ILE 48 -3.615 0.195 11.708 395 HG12 ILE 48 2HG1 ILE 48 -3.513 2.615 13.123 396 HG13 ILE 48 1HG1 ILE 48 -4.827 2.814 11.969 397 HG21 ILE 48 1HG2 ILE 48 -1.801 2.506 11.964 398 HG22 ILE 48 2HG2 ILE 48 -1.531 1.454 10.573 399 HG23 ILE 48 3HG2 ILE 48 -1.494 0.785 12.204 400 HD11 ILE 48 3HD1 ILE 48 -5.409 1.886 14.254 401 HD12 ILE 48 1HD1 ILE 48 -4.616 0.401 13.731 402 HD13 ILE 48 2HD1 ILE 48 -6.019 1.006 12.852 403 H ILE 49 H ILE 49 -2.546 2.029 8.030 404 HA ILE 49 HA ILE 49 -2.446 -0.725 7.064 405 HB ILE 49 HB ILE 49 -1.301 1.727 5.731 406 HG12 ILE 49 2HG1 ILE 49 -4.007 0.456 5.266 407 HG13 ILE 49 1HG1 ILE 49 -3.749 1.947 6.167 408 HG21 ILE 49 1HG2 ILE 49 -0.782 0.414 3.988 409 HG22 ILE 49 2HG2 ILE 49 -2.263 -0.531 4.127 410 HG23 ILE 49 3HG2 ILE 49 -0.882 -0.899 5.161 411 HD11 ILE 49 3HD1 ILE 49 -4.268 1.739 3.481 412 HD12 ILE 49 1HD1 ILE 49 -2.527 2.008 3.536 413 HD13 ILE 49 2HD1 ILE 49 -3.621 3.156 4.308 414 H ASP 50 H ASP 50 -1.035 -1.565 8.674 415 HA ASP 50 HA ASP 50 1.631 -0.468 8.919 416 HB2 ASP 50 2HB ASP 50 0.470 -3.009 10.083 417 HB3 ASP 50 1HB ASP 50 2.002 -2.268 10.534 418 H ASP 51 H ASP 51 3.338 -2.487 9.048 419 HA ASP 51 HA ASP 51 3.915 -3.097 6.376 420 HB2 ASP 51 2HB ASP 51 5.559 -3.021 8.281 421 HB3 ASP 51 1HB ASP 51 4.945 -4.589 8.795 422 H GLU 52 H GLU 52 2.395 -5.027 8.921 423 HA GLU 52 HA GLU 52 2.273 -7.467 7.559 424 HB2 GLU 52 2HB GLU 52 0.481 -6.276 9.675 425 HB3 GLU 52 1HB GLU 52 0.297 -7.920 9.081 426 HG2 GLU 52 2HG GLU 52 1.853 -8.637 10.472 427 HG3 GLU 52 1HG GLU 52 3.023 -7.504 9.797 428 H ILE 53 H ILE 53 0.163 -4.655 7.464 429 HA ILE 53 HA ILE 53 -1.859 -5.928 5.876 430 HB ILE 53 HB ILE 53 -1.418 -2.963 6.220 431 HG12 ILE 53 2HG1 ILE 53 -1.526 -4.105 8.414 432 HG13 ILE 53 1HG1 ILE 53 -2.924 -3.072 8.133 433 HG21 ILE 53 1HG2 ILE 53 -3.612 -2.673 5.518 434 HG22 ILE 53 2HG2 ILE 53 -4.041 -4.353 5.836 435 HG23 ILE 53 3HG2 ILE 53 -3.019 -3.949 4.456 436 HD11 ILE 53 3HD1 ILE 53 -3.400 -5.304 9.168 437 HD12 ILE 53 1HD1 ILE 53 -2.946 -6.031 7.625 438 HD13 ILE 53 2HD1 ILE 53 -4.322 -4.930 7.710 439 H ALA 54 H ALA 54 0.871 -3.774 5.247 440 HA ALA 54 HA ALA 54 0.314 -3.390 2.489 441 HB1 ALA 54 1HB ALA 54 1.741 -1.889 3.858 442 HB2 ALA 54 2HB ALA 54 2.498 -2.401 2.350 443 HB3 ALA 54 3HB ALA 54 2.979 -3.145 3.876 444 H ASN 55 H ASN 55 2.197 -5.747 4.293 445 HA ASN 55 HA ASN 55 3.540 -6.906 2.099 446 HB2 ASN 55 2HB ASN 55 3.723 -7.205 4.777 447 HB3 ASN 55 1HB ASN 55 2.829 -8.668 4.372 448 HD21 ASN 55 1HD2 ASN 55 5.847 -7.091 4.344 449 HD22 ASN 55 2HD2 ASN 55 6.759 -8.349 3.589 450 H GLU 56 H GLU 56 0.724 -8.145 3.916 451 HA GLU 56 HA GLU 56 0.125 -10.229 2.147 452 HB2 GLU 56 2HB GLU 56 -1.335 -8.792 4.302 453 HB3 GLU 56 1HB GLU 56 -2.297 -9.751 3.184 454 HG2 GLU 56 2HG GLU 56 -1.783 -11.584 4.299 455 HG3 GLU 56 1HG GLU 56 -0.072 -11.316 3.973 456 H PHE 57 H PHE 57 -0.741 -6.839 2.105 457 HA PHE 57 HA PHE 57 -2.832 -6.925 0.244 458 HB2 PHE 57 2HB PHE 57 -2.309 -4.926 1.566 459 HB3 PHE 57 1HB PHE 57 -0.788 -4.741 0.699 460 HD1 PHE 57 1HD PHE 57 -4.300 -5.391 -0.382 461 HD2 PHE 57 2HD PHE 57 -0.855 -2.910 -0.674 462 HE1 PHE 57 1HE PHE 57 -5.438 -4.018 -2.078 463 HE2 PHE 57 2HE PHE 57 -1.987 -1.532 -2.369 464 HZ PHE 57 HZ PHE 57 -4.281 -2.085 -3.073 465 H LEU 58 H LEU 58 0.614 -6.191 -0.326 466 HA LEU 58 HA LEU 58 0.401 -6.188 -3.141 467 HB2 LEU 58 2HB LEU 58 2.837 -6.702 -1.433 468 HB3 LEU 58 1HB LEU 58 2.848 -6.278 -3.134 469 HG LEU 58 HG LEU 58 1.755 -4.485 -0.969 470 HD11 LEU 58 1HD1 LEU 58 3.940 -4.327 -0.412 471 HD12 LEU 58 2HD1 LEU 58 3.966 -3.226 -1.790 472 HD13 LEU 58 3HD1 LEU 58 4.497 -4.897 -1.985 473 HD21 LEU 58 3HD2 LEU 58 2.671 -3.437 -3.565 474 HD22 LEU 58 1HD2 LEU 58 1.286 -2.976 -2.576 475 HD23 LEU 58 2HD2 LEU 58 1.198 -4.408 -3.602 476 H LYS 59 H LYS 59 1.008 -8.718 -0.798 477 HA LYS 59 HA LYS 59 1.855 -10.672 -2.705 478 HB2 LYS 59 2HB LYS 59 2.035 -10.503 -0.014 479 HB3 LYS 59 1HB LYS 59 0.657 -11.585 -0.158 480 HG2 LYS 59 2HG LYS 59 1.986 -13.104 -1.531 481 HG3 LYS 59 1HG LYS 59 3.369 -12.017 -1.391 482 HD2 LYS 59 2HD LYS 59 2.143 -12.812 1.162 483 HD3 LYS 59 1HD LYS 59 2.898 -14.124 0.254 484 HE2 LYS 59 2HE LYS 59 4.908 -12.547 0.028 485 HE3 LYS 59 1HE LYS 59 4.147 -11.608 1.312 486 HZ1 LYS 59 3HZ LYS 59 5.716 -13.132 2.258 487 HZ2 LYS 59 1HZ LYS 59 5.002 -14.448 1.469 488 HZ3 LYS 59 2HZ LYS 59 4.159 -13.633 2.688 489 H SER 60 H SER 60 -1.212 -9.609 -1.446 490 HA SER 60 HA SER 60 -2.675 -11.902 -2.380 491 HB2 SER 60 2HB SER 60 -3.469 -9.237 -1.223 492 HB3 SER 60 1HB SER 60 -4.673 -10.345 -1.880 493 HG SER 60 HG SER 60 -4.458 -11.567 -0.182 494 H ILE 61 H ILE 61 -2.331 -8.521 -3.425 495 HA ILE 61 HA ILE 61 -4.032 -8.681 -5.653 496 HB ILE 61 HB ILE 61 -2.858 -6.679 -6.487 497 HG12 ILE 61 2HG1 ILE 61 -1.031 -7.153 -4.121 498 HG13 ILE 61 1HG1 ILE 61 -0.579 -7.282 -5.817 499 HG21 ILE 61 1HG2 ILE 61 -4.580 -6.758 -4.536 500 HG22 ILE 61 2HG2 ILE 61 -3.721 -5.257 -4.889 501 HG23 ILE 61 3HG2 ILE 61 -3.199 -6.278 -3.548 502 HD11 ILE 61 3HD1 ILE 61 -1.303 -4.821 -5.973 503 HD12 ILE 61 1HD1 ILE 61 0.230 -5.207 -5.190 504 HD13 ILE 61 2HD1 ILE 61 -1.191 -4.837 -4.212 505 H GLY 62 H GLY 62 -0.647 -9.509 -5.228 506 HA2 GLY 62 2HA GLY 62 0.189 -11.307 -6.682 507 HA3 GLY 62 1HA GLY 62 -0.629 -10.502 -8.013 508 H ALA 63 H ALA 63 1.209 -8.831 -5.535 509 HA ALA 63 HA ALA 63 3.048 -7.900 -7.623 510 HB1 ALA 63 1HB ALA 63 2.266 -5.988 -6.665 511 HB2 ALA 63 2HB ALA 63 3.651 -6.280 -5.613 512 HB3 ALA 63 3HB ALA 63 2.030 -6.739 -5.088 513 H GLU 64 H GLU 64 5.116 -8.503 -7.652 514 HA GLU 64 HA GLU 64 6.259 -9.717 -5.224 515 HB2 GLU 64 2HB GLU 64 5.636 -11.178 -7.394 516 HB3 GLU 64 1HB GLU 64 7.247 -10.648 -7.862 517 HG2 GLU 64 2HG GLU 64 7.764 -12.586 -6.797 518 HG3 GLU 64 1HG GLU 64 7.861 -11.465 -5.441 519 H VAL 65 H VAL 65 7.668 -8.245 -4.505 520 HA VAL 65 HA VAL 65 9.194 -6.611 -6.352 521 HB VAL 65 HB VAL 65 10.170 -5.644 -4.228 522 HG11 VAL 65 1HG1 VAL 65 8.507 -4.123 -4.184 523 HG12 VAL 65 2HG1 VAL 65 7.257 -5.341 -3.923 524 HG13 VAL 65 3HG1 VAL 65 7.888 -5.057 -5.546 525 HG21 VAL 65 3HG2 VAL 65 7.971 -6.719 -2.618 526 HG22 VAL 65 1HG2 VAL 65 9.657 -6.430 -2.190 527 HG23 VAL 65 2HG2 VAL 65 9.205 -7.902 -3.048 528 H GLU 66 H GLU 66 10.689 -7.893 -7.359 529 HA GLU 66 HA GLU 66 12.730 -9.109 -5.618 530 HB2 GLU 66 2HB GLU 66 11.515 -10.171 -8.160 531 HB3 GLU 66 1HB GLU 66 13.083 -10.720 -7.586 532 HG2 GLU 66 2HG GLU 66 11.550 -10.991 -5.351 533 HG3 GLU 66 1HG GLU 66 10.398 -11.361 -6.634 534 H LEU 67 H LEU 67 14.724 -8.361 -5.908 535 HA LEU 67 HA LEU 67 15.296 -6.854 -8.377 536 HB2 LEU 67 2HB LEU 67 16.069 -6.426 -5.526 537 HB3 LEU 67 1HB LEU 67 17.168 -5.892 -6.783 538 HG LEU 67 HG LEU 67 15.752 -4.058 -6.052 539 HD11 LEU 67 1HD1 LEU 67 15.073 -3.271 -8.168 540 HD12 LEU 67 2HD1 LEU 67 14.813 -4.906 -8.778 541 HD13 LEU 67 3HD1 LEU 67 16.452 -4.331 -8.466 542 HD21 LEU 67 3HD2 LEU 67 13.845 -5.484 -5.327 543 HD22 LEU 67 1HD2 LEU 67 13.410 -5.685 -7.024 544 HD23 LEU 67 2HD2 LEU 67 13.367 -4.083 -6.287 545 HA PRO 68 HA PRO 68 18.106 -10.585 -8.257 546 HB2 PRO 68 2HB PRO 68 17.680 -11.341 -10.826 547 HB3 PRO 68 1HB PRO 68 16.649 -11.866 -9.491 548 HG2 PRO 68 2HG PRO 68 16.203 -9.672 -11.478 549 HG3 PRO 68 1HG PRO 68 15.059 -10.884 -10.874 550 HD2 PRO 68 2HD PRO 68 15.118 -8.341 -9.942 551 HD3 PRO 68 1HD PRO 68 14.662 -9.721 -8.923 552 H GLN 69 H GLN 69 20.011 -9.461 -8.189 553 HA GLN 69 HA GLN 69 21.420 -9.059 -10.605 554 HB2 GLN 69 2HB GLN 69 19.789 -6.927 -10.042 555 HB3 GLN 69 1HB GLN 69 21.300 -6.432 -9.295 556 HG2 GLN 69 2HG GLN 69 22.407 -6.302 -11.289 557 HG3 GLN 69 1HG GLN 69 21.372 -7.496 -12.068 558 HE21 GLN 69 1HE2 GLN 69 20.793 -6.338 -13.830 559 HE22 GLN 69 2HE2 GLN 69 19.869 -4.880 -13.770 560 H GLU 70 H GLU 70 23.371 -7.294 -9.850 561 HA GLU 70 HA GLU 70 24.274 -7.803 -7.174 562 HB2 GLU 70 2HB GLU 70 24.866 -9.762 -9.077 563 HB3 GLU 70 1HB GLU 70 26.343 -8.819 -8.939 564 HG2 GLU 70 2HG GLU 70 26.693 -10.383 -7.321 565 HG3 GLU 70 1HG GLU 70 25.927 -9.110 -6.373 566 H ILE 71 H ILE 71 25.215 -6.852 -10.459 567 HA ILE 71 HA ILE 71 27.414 -5.267 -9.831 568 HB ILE 71 HB ILE 71 26.820 -5.897 -12.128 569 HG12 ILE 71 2HG1 ILE 71 26.740 -2.951 -12.334 570 HG13 ILE 71 1HG1 ILE 71 28.021 -3.598 -11.315 571 HG21 ILE 71 1HG2 ILE 71 24.860 -3.722 -12.437 572 HG22 ILE 71 2HG2 ILE 71 24.305 -5.136 -11.541 573 HG23 ILE 71 3HG2 ILE 71 24.917 -5.318 -13.186 574 HD11 ILE 71 3HD1 ILE 71 28.492 -3.186 -13.807 575 HD12 ILE 71 1HD1 ILE 71 27.580 -4.673 -14.067 576 HD13 ILE 71 2HD1 ILE 71 29.040 -4.695 -13.078 577 H LYS 72 H LYS 72 27.696 -3.197 -9.161 578 HA LYS 72 HA LYS 72 25.301 -1.553 -8.712 579 HB2 LYS 72 2HB LYS 72 26.915 -2.752 -6.702 580 HB3 LYS 72 1HB LYS 72 27.219 -1.021 -6.658 581 HG2 LYS 72 2HG LYS 72 24.688 -0.742 -6.629 582 HG3 LYS 72 1HG LYS 72 24.623 -2.469 -6.273 583 HD2 LYS 72 2HD LYS 72 26.538 -1.071 -4.592 584 HD3 LYS 72 1HD LYS 72 24.907 -0.415 -4.434 585 HE2 LYS 72 2HE LYS 72 25.045 -3.344 -4.451 586 HE3 LYS 72 1HE LYS 72 25.864 -2.584 -3.086 587 HZ1 LYS 72 3HZ LYS 72 23.804 -2.644 -2.216 588 HZ2 LYS 72 1HZ LYS 72 23.031 -2.700 -3.720 589 HZ3 LYS 72 2HZ LYS 72 23.583 -1.224 -3.105 Start of MODEL 5 1 H MET 1 H MET 1 2.235 14.066 2.884 2 HA MET 1 HA MET 1 2.191 16.669 1.549 3 HB2 MET 1 2HB MET 1 4.114 15.005 2.819 4 HB3 MET 1 1HB MET 1 4.486 15.014 1.102 5 HG2 MET 1 2HG MET 1 5.651 16.851 1.643 6 HG3 MET 1 1HG MET 1 4.082 17.637 1.492 7 HE1 MET 1 2HE MET 1 6.724 18.529 4.549 8 HE2 MET 1 3HE MET 1 5.696 19.624 3.624 9 HE3 MET 1 1HE MET 1 6.688 18.429 2.789 10 H ASP 2 H ASP 2 2.204 13.173 1.044 11 HA ASP 2 HA ASP 2 2.069 13.585 -1.856 12 HB2 ASP 2 2HB ASP 2 3.585 11.834 -0.523 13 HB3 ASP 2 1HB ASP 2 2.134 10.849 -0.682 14 H GLU 3 H GLU 3 0.443 12.547 -3.114 15 HA GLU 3 HA GLU 3 -2.158 12.839 -2.147 16 HB2 GLU 3 2HB GLU 3 -0.929 11.644 -4.574 17 HB3 GLU 3 1HB GLU 3 -2.597 11.211 -4.227 18 HG2 GLU 3 2HG GLU 3 -1.563 14.025 -4.485 19 HG3 GLU 3 1HG GLU 3 -2.390 13.125 -5.757 20 H PHE 4 H PHE 4 -0.018 10.080 -2.148 21 HA PHE 4 HA PHE 4 -1.925 8.069 -1.643 22 HB2 PHE 4 2HB PHE 4 0.416 7.642 -2.362 23 HB3 PHE 4 1HB PHE 4 0.970 8.143 -0.768 24 HD1 PHE 4 1HD PHE 4 -1.953 6.035 -1.672 25 HD2 PHE 4 2HD PHE 4 1.887 6.222 0.151 26 HE1 PHE 4 1HE PHE 4 -2.233 3.731 -0.856 27 HE2 PHE 4 2HE PHE 4 1.615 3.919 0.970 28 HZ PHE 4 HZ PHE 4 -0.446 2.669 0.468 29 H VAL 5 H VAL 5 0.179 9.878 0.593 30 HA VAL 5 HA VAL 5 -0.990 8.751 2.932 31 HB VAL 5 HB VAL 5 0.580 11.323 2.732 32 HG11 VAL 5 1HG1 VAL 5 -0.773 10.377 4.870 33 HG12 VAL 5 2HG1 VAL 5 0.701 11.341 4.982 34 HG13 VAL 5 3HG1 VAL 5 0.785 9.584 5.098 35 HG21 VAL 5 3HG2 VAL 5 1.962 8.884 3.599 36 HG22 VAL 5 1HG2 VAL 5 2.513 10.190 2.550 37 HG23 VAL 5 2HG2 VAL 5 1.496 8.904 1.899 38 H LYS 6 H LYS 6 -1.444 11.780 1.162 39 HA LYS 6 HA LYS 6 -3.182 13.015 2.994 40 HB2 LYS 6 2HB LYS 6 -2.026 13.710 0.587 41 HB3 LYS 6 1HB LYS 6 -3.736 13.627 0.185 42 HG2 LYS 6 2HG LYS 6 -3.057 15.078 2.660 43 HG3 LYS 6 1HG LYS 6 -2.537 15.821 1.146 44 HD2 LYS 6 2HD LYS 6 -5.346 14.834 1.553 45 HD3 LYS 6 1HD LYS 6 -4.848 16.456 2.037 46 HE2 LYS 6 2HE LYS 6 -3.873 16.375 -0.479 47 HE3 LYS 6 1HE LYS 6 -5.276 15.322 -0.650 48 HZ1 LYS 6 3HZ LYS 6 -5.666 17.856 0.745 49 HZ2 LYS 6 1HZ LYS 6 -6.712 17.018 -0.288 50 HZ3 LYS 6 2HZ LYS 6 -5.438 17.926 -0.929 51 H GLY 7 H GLY 7 -3.796 10.862 0.253 52 HA2 GLY 7 2HA GLY 7 -6.590 11.042 0.215 53 HA3 GLY 7 1HA GLY 7 -5.658 9.662 -0.345 54 H LEU 8 H LEU 8 -4.473 8.876 2.056 55 HA LEU 8 HA LEU 8 -6.589 7.377 3.211 56 HB2 LEU 8 2HB LEU 8 -3.738 7.764 4.124 57 HB3 LEU 8 1HB LEU 8 -4.848 6.584 4.793 58 HG LEU 8 HG LEU 8 -4.384 6.490 1.861 59 HD11 LEU 8 1HD1 LEU 8 -2.164 6.769 3.327 60 HD12 LEU 8 2HD1 LEU 8 -2.255 5.737 1.899 61 HD13 LEU 8 3HD1 LEU 8 -2.414 5.033 3.509 62 HD21 LEU 8 3HD2 LEU 8 -4.217 3.972 2.773 63 HD22 LEU 8 1HD2 LEU 8 -5.745 4.768 2.399 64 HD23 LEU 8 2HD2 LEU 8 -5.176 4.693 4.066 65 H MET 9 H MET 9 -4.590 10.056 4.414 66 HA MET 9 HA MET 9 -5.626 10.255 6.979 67 HB2 MET 9 2HB MET 9 -3.769 11.630 5.563 68 HB3 MET 9 1HB MET 9 -5.064 12.817 5.620 69 HG2 MET 9 2HG MET 9 -4.484 13.373 7.674 70 HG3 MET 9 1HG MET 9 -4.780 11.722 8.217 71 HE1 MET 9 3HE MET 9 -1.256 10.083 7.546 72 HE2 MET 9 1HE MET 9 -2.340 10.377 6.186 73 HE3 MET 9 2HE MET 9 -2.987 9.794 7.718 74 H LYS 10 H LYS 10 -7.011 11.228 3.938 75 HA LYS 10 HA LYS 10 -8.955 13.025 4.918 76 HB2 LYS 10 2HB LYS 10 -8.536 11.493 2.404 77 HB3 LYS 10 1HB LYS 10 -10.156 12.104 2.711 78 HG2 LYS 10 2HG LYS 10 -9.341 14.358 2.845 79 HG3 LYS 10 1HG LYS 10 -7.671 13.802 2.722 80 HD2 LYS 10 2HD LYS 10 -8.750 12.686 0.499 81 HD3 LYS 10 1HD LYS 10 -9.709 14.163 0.630 82 HE2 LYS 10 2HE LYS 10 -7.532 15.413 0.864 83 HE3 LYS 10 1HE LYS 10 -6.715 13.913 0.426 84 HZ1 LYS 10 3HZ LYS 10 -8.475 14.092 -1.549 85 HZ2 LYS 10 1HZ LYS 10 -6.929 14.770 -1.631 86 HZ3 LYS 10 2HZ LYS 10 -8.256 15.738 -1.230 87 H ASN 11 H ASN 11 -8.896 9.529 4.558 88 HA ASN 11 HA ASN 11 -11.659 9.346 5.507 89 HB2 ASN 11 2HB ASN 11 -9.770 7.280 4.368 90 HB3 ASN 11 1HB ASN 11 -11.366 6.891 5.005 91 HD21 ASN 11 1HD2 ASN 11 -11.792 6.083 2.868 92 HD22 ASN 11 2HD2 ASN 11 -12.266 7.175 1.617 93 H GLY 12 H GLY 12 -9.238 10.085 7.169 94 HA2 GLY 12 2HA GLY 12 -8.574 9.742 9.339 95 HA3 GLY 12 1HA GLY 12 -9.997 8.728 9.524 96 H TYR 13 H TYR 13 -7.555 8.039 7.127 97 HA TYR 13 HA TYR 13 -6.978 5.529 8.505 98 HB2 TYR 13 2HB TYR 13 -6.638 6.506 5.692 99 HB3 TYR 13 1HB TYR 13 -5.683 5.141 6.258 100 HD1 TYR 13 1HD TYR 13 -9.209 6.333 6.028 101 HD2 TYR 13 2HD TYR 13 -6.573 2.996 6.149 102 HE1 TYR 13 1HE TYR 13 -11.100 4.831 5.567 103 HE2 TYR 13 2HE TYR 13 -8.456 1.484 5.686 104 HH TYR 13 HH TYR 13 -10.855 1.423 5.862 105 H LEU 14 H LEU 14 -4.654 4.736 8.299 106 HA LEU 14 HA LEU 14 -2.679 6.876 8.492 107 HB2 LEU 14 2HB LEU 14 -3.081 4.825 10.670 108 HB3 LEU 14 1HB LEU 14 -1.796 6.018 10.609 109 HG LEU 14 HG LEU 14 -4.722 6.738 10.755 110 HD11 LEU 14 1HD1 LEU 14 -4.414 5.691 12.792 111 HD12 LEU 14 2HD1 LEU 14 -3.996 7.364 13.162 112 HD13 LEU 14 3HD1 LEU 14 -2.720 6.173 12.902 113 HD21 LEU 14 3HD2 LEU 14 -3.989 8.933 11.213 114 HD22 LEU 14 1HD2 LEU 14 -3.039 8.390 9.830 115 HD23 LEU 14 2HD2 LEU 14 -2.320 8.411 11.441 116 H ILE 15 H ILE 15 -0.475 6.113 8.386 117 HA ILE 15 HA ILE 15 -0.006 3.331 7.745 118 HB ILE 15 HB ILE 15 -0.779 4.214 5.586 119 HG12 ILE 15 2HG1 ILE 15 2.207 3.755 5.507 120 HG13 ILE 15 1HG1 ILE 15 1.037 2.465 5.772 121 HG21 ILE 15 1HG2 ILE 15 -0.040 6.112 4.614 122 HG22 ILE 15 2HG2 ILE 15 1.608 5.906 5.210 123 HG23 ILE 15 3HG2 ILE 15 0.358 6.548 6.276 124 HD11 ILE 15 3HD1 ILE 15 0.264 2.545 3.615 125 HD12 ILE 15 1HD1 ILE 15 1.971 2.926 3.394 126 HD13 ILE 15 2HD1 ILE 15 0.769 4.218 3.379 127 H THR 16 H THR 16 1.977 2.746 8.383 128 HA THR 16 HA THR 16 3.713 4.664 9.592 129 HB THR 16 HB THR 16 5.262 2.662 9.844 130 HG1 THR 16 1HG THR 16 4.182 1.536 8.012 131 HG21 THR 16 3HG2 THR 16 3.253 1.459 11.244 132 HG22 THR 16 1HG2 THR 16 2.613 3.087 11.031 133 HG23 THR 16 2HG2 THR 16 4.178 2.851 11.807 134 HA PRO 17 HA PRO 17 6.419 5.670 6.263 135 HB2 PRO 17 2HB PRO 17 8.836 5.790 7.515 136 HB3 PRO 17 1HB PRO 17 7.589 7.031 7.692 137 HG2 PRO 17 2HG PRO 17 8.273 4.760 9.517 138 HG3 PRO 17 1HG PRO 17 7.893 6.446 9.920 139 HD2 PRO 17 2HD PRO 17 6.077 4.463 10.163 140 HD3 PRO 17 1HD PRO 17 5.617 6.116 9.707 141 H SER 18 H SER 18 7.197 2.882 8.239 142 HA SER 18 HA SER 18 9.264 1.808 6.663 143 HB2 SER 18 2HB SER 18 8.281 -0.422 7.722 144 HB3 SER 18 1HB SER 18 9.153 0.753 8.706 145 HG SER 18 HG SER 18 6.341 0.806 8.384 146 H ALA 19 H ALA 19 5.773 1.630 6.412 147 HA ALA 19 HA ALA 19 5.906 -0.309 4.248 148 HB1 ALA 19 1HB ALA 19 3.367 1.050 4.995 149 HB2 ALA 19 2HB ALA 19 4.090 -0.077 6.145 150 HB3 ALA 19 3HB ALA 19 3.658 -0.626 4.525 151 H TYR 20 H TYR 20 5.328 3.113 4.744 152 HA TYR 20 HA TYR 20 4.276 3.764 2.235 153 HB2 TYR 20 2HB TYR 20 4.245 5.332 4.105 154 HB3 TYR 20 1HB TYR 20 6.003 5.429 4.080 155 HD1 TYR 20 1HD TYR 20 3.027 6.049 1.917 156 HD2 TYR 20 2HD TYR 20 7.036 7.117 2.863 157 HE1 TYR 20 1HE TYR 20 2.892 7.929 0.338 158 HE2 TYR 20 2HE TYR 20 6.912 9.001 1.287 159 HH TYR 20 HH TYR 20 5.283 10.390 0.200 160 H TYR 21 H TYR 21 7.600 3.376 3.328 161 HA TYR 21 HA TYR 21 8.897 4.434 1.079 162 HB2 TYR 21 2HB TYR 21 9.720 2.378 3.120 163 HB3 TYR 21 1HB TYR 21 10.794 2.879 1.818 164 HD1 TYR 21 1HD TYR 21 10.404 5.736 1.638 165 HD2 TYR 21 2HD TYR 21 10.531 3.262 5.096 166 HE1 TYR 21 1HE TYR 21 11.134 7.663 2.980 167 HE2 TYR 21 2HE TYR 21 11.263 5.181 6.449 168 HH TYR 21 HH TYR 21 12.271 8.145 5.043 169 H LEU 22 H LEU 22 7.320 1.386 1.602 170 HA LEU 22 HA LEU 22 8.445 0.279 -0.862 171 HB2 LEU 22 2HB LEU 22 6.511 -1.102 0.978 172 HB3 LEU 22 1HB LEU 22 7.618 -1.824 -0.174 173 HG LEU 22 HG LEU 22 8.828 -0.259 2.037 174 HD11 LEU 22 1HD1 LEU 22 7.534 -1.340 3.544 175 HD12 LEU 22 2HD1 LEU 22 8.700 -2.633 3.256 176 HD13 LEU 22 3HD1 LEU 22 7.140 -2.651 2.432 177 HD21 LEU 22 3HD2 LEU 22 9.478 -2.809 0.576 178 HD22 LEU 22 1HD2 LEU 22 10.420 -2.187 1.931 179 HD23 LEU 22 2HD2 LEU 22 10.292 -1.251 0.442 180 H LEU 23 H LEU 23 5.448 1.460 0.505 181 HA LEU 23 HA LEU 23 3.851 0.594 -1.736 182 HB2 LEU 23 2HB LEU 23 3.319 2.220 0.725 183 HB3 LEU 23 1HB LEU 23 2.140 2.150 -0.571 184 HG LEU 23 HG LEU 23 3.205 -0.296 0.834 185 HD11 LEU 23 1HD1 LEU 23 0.674 1.255 1.358 186 HD12 LEU 23 2HD1 LEU 23 2.049 1.093 2.450 187 HD13 LEU 23 3HD1 LEU 23 1.072 -0.320 2.047 188 HD21 LEU 23 3HD2 LEU 23 2.272 -0.589 -1.449 189 HD22 LEU 23 1HD2 LEU 23 0.749 0.086 -0.871 190 HD23 LEU 23 2HD2 LEU 23 1.355 -1.426 -0.197 191 H VAL 24 H VAL 24 5.650 3.416 -0.834 192 HA VAL 24 HA VAL 24 4.390 5.398 -2.317 193 HB VAL 24 HB VAL 24 6.223 5.860 -0.754 194 HG11 VAL 24 1HG1 VAL 24 8.451 5.296 -1.121 195 HG12 VAL 24 2HG1 VAL 24 8.186 4.964 -2.833 196 HG13 VAL 24 3HG1 VAL 24 7.576 3.846 -1.613 197 HG21 VAL 24 3HG2 VAL 24 6.847 7.758 -1.816 198 HG22 VAL 24 1HG2 VAL 24 5.631 7.234 -2.981 199 HG23 VAL 24 2HG2 VAL 24 7.338 6.908 -3.281 200 H GLY 25 H GLY 25 6.904 3.100 -3.341 201 HA2 GLY 25 2HA GLY 25 7.062 4.113 -6.004 202 HA3 GLY 25 1HA GLY 25 7.717 2.586 -5.434 203 H HIS 26 H HIS 26 5.553 1.193 -4.636 204 HA HIS 26 HA HIS 26 4.481 0.221 -7.029 205 HB2 HIS 26 2HB HIS 26 4.604 -0.735 -4.518 206 HB3 HIS 26 1HB HIS 26 2.922 -0.223 -4.545 207 HD1 HIS 26 1HD HIS 26 5.285 -2.446 -6.512 208 HD2 HIS 26 2HD HIS 26 1.230 -2.000 -5.723 209 HE1 HIS 26 1HE HIS 26 4.172 -4.437 -7.568 210 HE2 HIS 26 2HE HIS 26 1.710 -4.091 -7.167 211 H PHE 27 H PHE 27 3.521 2.886 -5.083 212 HA PHE 27 HA PHE 27 0.814 2.947 -6.139 213 HB2 PHE 27 2HB PHE 27 1.302 3.594 -3.780 214 HB3 PHE 27 1HB PHE 27 2.222 4.969 -4.382 215 HD1 PHE 27 1HD PHE 27 -1.147 3.481 -4.183 216 HD2 PHE 27 2HD PHE 27 1.147 6.946 -5.096 217 HE1 PHE 27 1HE PHE 27 -3.208 4.822 -4.257 218 HE2 PHE 27 2HE PHE 27 -0.910 8.294 -5.170 219 HZ PHE 27 HZ PHE 27 -3.092 7.233 -4.749 220 H ASN 28 H ASN 28 3.653 5.113 -6.166 221 HA ASN 28 HA ASN 28 2.571 6.880 -8.094 222 HB2 ASN 28 2HB ASN 28 4.898 7.741 -8.281 223 HB3 ASN 28 1HB ASN 28 4.333 7.630 -6.618 224 HD21 ASN 28 1HD2 ASN 28 6.346 7.497 -5.719 225 HD22 ASN 28 2HD2 ASN 28 7.379 6.126 -5.907 226 H GLU 29 H GLU 29 4.228 3.849 -8.342 227 HA GLU 29 HA GLU 29 5.188 4.111 -10.991 228 HB2 GLU 29 2HB GLU 29 5.960 2.380 -9.382 229 HB3 GLU 29 1HB GLU 29 4.400 1.585 -9.529 230 HG2 GLU 29 2HG GLU 29 5.784 2.091 -12.068 231 HG3 GLU 29 1HG GLU 29 6.587 0.956 -10.983 232 H GLY 30 H GLY 30 2.081 3.293 -9.639 233 HA2 GLY 30 2HA GLY 30 0.076 3.597 -10.898 234 HA3 GLY 30 1HA GLY 30 0.982 3.241 -12.363 235 H LYS 31 H LYS 31 1.229 1.318 -9.448 236 HA LYS 31 HA LYS 31 0.273 -0.993 -10.937 237 HB2 LYS 31 2HB LYS 31 2.221 -0.580 -8.930 238 HB3 LYS 31 1HB LYS 31 0.986 -1.615 -8.225 239 HG2 LYS 31 2HG LYS 31 2.549 -2.124 -10.746 240 HG3 LYS 31 1HG LYS 31 2.696 -2.977 -9.208 241 HD2 LYS 31 2HD LYS 31 -0.004 -3.162 -9.866 242 HD3 LYS 31 1HD LYS 31 0.847 -3.409 -11.392 243 HE2 LYS 31 2HE LYS 31 1.074 -4.977 -8.841 244 HE3 LYS 31 1HE LYS 31 0.631 -5.551 -10.448 245 HZ1 LYS 31 3HZ LYS 31 2.767 -6.206 -10.474 246 HZ2 LYS 31 1HZ LYS 31 3.258 -5.082 -9.308 247 HZ3 LYS 31 2HZ LYS 31 3.069 -4.602 -10.918 248 H PHE 32 H PHE 32 -0.281 0.274 -7.643 249 HA PHE 32 HA PHE 32 -3.034 -0.756 -7.833 250 HB2 PHE 32 2HB PHE 32 -3.031 -1.173 -5.503 251 HB3 PHE 32 1HB PHE 32 -1.479 -1.767 -6.082 252 HD1 PHE 32 1HD PHE 32 0.523 -0.135 -5.871 253 HD2 PHE 32 2HD PHE 32 -3.118 0.271 -3.707 254 HE1 PHE 32 1HE PHE 32 1.673 1.262 -4.205 255 HE2 PHE 32 2HE PHE 32 -1.973 1.670 -2.038 256 HZ PHE 32 HZ PHE 32 0.426 2.167 -2.285 257 H SER 33 H SER 33 -4.562 0.462 -6.293 258 HA SER 33 HA SER 33 -3.998 3.350 -6.394 259 HB2 SER 33 2HB SER 33 -5.517 2.724 -8.243 260 HB3 SER 33 1HB SER 33 -6.644 2.040 -7.071 261 HG SER 33 HG SER 33 -7.320 3.978 -6.609 262 H LEU 34 H LEU 34 -5.650 4.589 -5.023 263 HA LEU 34 HA LEU 34 -5.452 3.669 -2.360 264 HB2 LEU 34 2HB LEU 34 -7.060 5.899 -3.598 265 HB3 LEU 34 1HB LEU 34 -6.991 5.610 -1.870 266 HG LEU 34 HG LEU 34 -4.530 6.137 -3.527 267 HD11 LEU 34 1HD1 LEU 34 -6.545 8.004 -2.430 268 HD12 LEU 34 2HD1 LEU 34 -5.477 8.172 -3.824 269 HD13 LEU 34 3HD1 LEU 34 -4.849 8.426 -2.195 270 HD21 LEU 34 3HD2 LEU 34 -5.144 6.011 -0.594 271 HD22 LEU 34 1HD2 LEU 34 -3.740 6.884 -1.208 272 HD23 LEU 34 2HD2 LEU 34 -3.902 5.153 -1.503 273 H ILE 35 H ILE 35 -8.045 3.598 -4.732 274 HA ILE 35 HA ILE 35 -10.179 2.912 -3.074 275 HB ILE 35 HB ILE 35 -10.455 3.532 -5.435 276 HG12 ILE 35 2HG1 ILE 35 -11.562 0.752 -5.105 277 HG13 ILE 35 1HG1 ILE 35 -12.122 2.080 -4.096 278 HG21 ILE 35 1HG2 ILE 35 -9.198 0.846 -5.953 279 HG22 ILE 35 2HG2 ILE 35 -8.611 2.429 -6.464 280 HG23 ILE 35 3HG2 ILE 35 -10.084 1.764 -7.169 281 HD11 ILE 35 3HD1 ILE 35 -12.734 1.444 -6.867 282 HD12 ILE 35 1HD1 ILE 35 -12.305 3.135 -6.613 283 HD13 ILE 35 2HD1 ILE 35 -13.629 2.415 -5.697 284 H GLU 36 H GLU 36 -7.574 0.963 -4.358 285 HA GLU 36 HA GLU 36 -8.787 -1.542 -3.613 286 HB2 GLU 36 2HB GLU 36 -5.984 -0.858 -4.514 287 HB3 GLU 36 1HB GLU 36 -6.564 -2.494 -4.233 288 HG2 GLU 36 2HG GLU 36 -8.353 -1.110 -5.992 289 HG3 GLU 36 1HG GLU 36 -6.701 -1.004 -6.596 290 H LEU 37 H LEU 37 -6.210 0.538 -2.357 291 HA LEU 37 HA LEU 37 -5.369 -1.131 -0.268 292 HB2 LEU 37 2HB LEU 37 -4.099 0.817 -1.029 293 HB3 LEU 37 1HB LEU 37 -5.351 1.882 -0.418 294 HG LEU 37 HG LEU 37 -4.872 1.039 1.883 295 HD11 LEU 37 1HD1 LEU 37 -2.244 0.003 1.080 296 HD12 LEU 37 2HD1 LEU 37 -3.615 -1.022 0.656 297 HD13 LEU 37 3HD1 LEU 37 -3.353 -0.550 2.335 298 HD21 LEU 37 3HD2 LEU 37 -3.894 3.129 0.951 299 HD22 LEU 37 1HD2 LEU 37 -2.464 2.202 0.492 300 HD23 LEU 37 2HD2 LEU 37 -2.901 2.367 2.193 301 H ILE 38 H ILE 38 -7.747 1.515 -0.273 302 HA ILE 38 HA ILE 38 -8.448 1.310 2.445 303 HB ILE 38 HB ILE 38 -10.190 2.277 0.173 304 HG12 ILE 38 2HG1 ILE 38 -8.390 3.905 1.975 305 HG13 ILE 38 1HG1 ILE 38 -7.928 3.381 0.360 306 HG21 ILE 38 1HG2 ILE 38 -11.279 3.627 1.939 307 HG22 ILE 38 2HG2 ILE 38 -10.304 2.784 3.143 308 HG23 ILE 38 3HG2 ILE 38 -11.477 1.890 2.173 309 HD11 ILE 38 3HD1 ILE 38 -9.210 5.727 1.030 310 HD12 ILE 38 1HD1 ILE 38 -10.494 4.715 0.369 311 HD13 ILE 38 2HD1 ILE 38 -9.049 5.043 -0.587 312 H LYS 39 H LYS 39 -9.649 -0.319 -0.437 313 HA LYS 39 HA LYS 39 -11.930 -1.502 0.700 314 HB2 LYS 39 2HB LYS 39 -10.524 -1.615 -1.780 315 HB3 LYS 39 1HB LYS 39 -10.829 -3.264 -1.249 316 HG2 LYS 39 2HG LYS 39 -13.141 -2.970 -1.270 317 HG3 LYS 39 1HG LYS 39 -13.009 -1.210 -1.281 318 HD2 LYS 39 2HD LYS 39 -11.709 -1.763 -3.559 319 HD3 LYS 39 1HD LYS 39 -12.800 -3.149 -3.507 320 HE2 LYS 39 2HE LYS 39 -14.030 -0.540 -2.915 321 HE3 LYS 39 1HE LYS 39 -13.440 -0.742 -4.564 322 HZ1 LYS 39 3HZ LYS 39 -15.468 -1.650 -4.839 323 HZ2 LYS 39 1HZ LYS 39 -15.646 -2.063 -3.208 324 HZ3 LYS 39 2HZ LYS 39 -14.719 -3.039 -4.232 325 H PHE 40 H PHE 40 -8.548 -2.368 0.790 326 HA PHE 40 HA PHE 40 -8.888 -5.035 1.699 327 HB2 PHE 40 2HB PHE 40 -6.794 -4.033 0.667 328 HB3 PHE 40 1HB PHE 40 -6.496 -3.271 2.225 329 HD1 PHE 40 1HD PHE 40 -7.386 -6.659 0.930 330 HD2 PHE 40 2HD PHE 40 -5.012 -4.340 3.595 331 HE1 PHE 40 1HE PHE 40 -6.270 -8.708 1.713 332 HE2 PHE 40 2HE PHE 40 -3.893 -6.385 4.383 333 HZ PHE 40 HZ PHE 40 -4.522 -8.572 3.442 334 H ALA 41 H ALA 41 -8.071 -2.019 3.409 335 HA ALA 41 HA ALA 41 -8.004 -3.095 5.991 336 HB1 ALA 41 1HB ALA 41 -7.784 -0.532 4.810 337 HB2 ALA 41 2HB ALA 41 -7.345 -1.026 6.446 338 HB3 ALA 41 3HB ALA 41 -8.966 -0.416 6.115 339 H LYS 42 H LYS 42 -10.686 -1.879 4.060 340 HA LYS 42 HA LYS 42 -12.645 -1.717 6.033 341 HB2 LYS 42 2HB LYS 42 -12.782 -2.309 3.087 342 HB3 LYS 42 1HB LYS 42 -14.233 -2.240 4.077 343 HG2 LYS 42 2HG LYS 42 -12.504 0.066 4.459 344 HG3 LYS 42 1HG LYS 42 -13.041 -0.125 2.789 345 HD2 LYS 42 2HD LYS 42 -14.704 1.190 3.780 346 HD3 LYS 42 1HD LYS 42 -15.385 -0.438 3.778 347 HE2 LYS 42 2HE LYS 42 -13.961 -0.223 6.177 348 HE3 LYS 42 1HE LYS 42 -14.813 1.310 5.997 349 HZ1 LYS 42 3HZ LYS 42 -16.448 0.119 6.968 350 HZ2 LYS 42 1HZ LYS 42 -15.880 -1.370 6.402 351 HZ3 LYS 42 2HZ LYS 42 -16.761 -0.355 5.375 352 H SER 43 H SER 43 -11.768 -4.470 3.959 353 HA SER 43 HA SER 43 -13.659 -6.243 5.141 354 HB2 SER 43 2HB SER 43 -11.351 -6.546 3.257 355 HB3 SER 43 1HB SER 43 -12.049 -7.984 4.001 356 HG SER 43 HG SER 43 -13.556 -6.033 2.600 357 H ARG 44 H ARG 44 -10.395 -5.310 5.886 358 HA ARG 44 HA ARG 44 -9.974 -7.531 7.699 359 HB2 ARG 44 2HB ARG 44 -8.207 -6.251 6.251 360 HB3 ARG 44 1HB ARG 44 -8.206 -5.118 7.595 361 HG2 ARG 44 2HG ARG 44 -6.962 -6.464 8.852 362 HG3 ARG 44 1HG ARG 44 -7.976 -7.863 8.492 363 HD2 ARG 44 2HD ARG 44 -6.633 -8.570 6.819 364 HD3 ARG 44 1HD ARG 44 -6.250 -6.933 6.293 365 HE ARG 44 HE ARG 44 -4.384 -6.984 7.617 366 HH11 ARG 44 1HH1 ARG 44 -6.514 -9.577 8.574 367 HH12 ARG 44 2HH1 ARG 44 -5.362 -10.292 9.653 368 HH21 ARG 44 1HH2 ARG 44 -2.869 -7.922 9.036 369 HH22 ARG 44 2HH2 ARG 44 -3.294 -9.351 9.916 370 H GLU 45 H GLU 45 -11.386 -4.437 7.843 371 HA GLU 45 HA GLU 45 -12.272 -3.215 9.540 372 HB2 GLU 45 2HB GLU 45 -12.036 -5.932 10.698 373 HB3 GLU 45 1HB GLU 45 -12.241 -4.618 11.847 374 HG2 GLU 45 2HG GLU 45 -14.105 -4.247 9.739 375 HG3 GLU 45 1HG GLU 45 -14.202 -5.922 10.280 376 H THR 46 H THR 46 -9.922 -2.322 9.031 377 HA THR 46 HA THR 46 -8.890 -1.435 11.546 378 HB THR 46 HB THR 46 -7.684 -3.534 11.489 379 HG1 THR 46 1HG THR 46 -6.150 -2.293 12.256 380 HG21 THR 46 3HG2 THR 46 -7.438 -4.399 9.417 381 HG22 THR 46 1HG2 THR 46 -5.910 -3.520 9.446 382 HG23 THR 46 2HG2 THR 46 -7.318 -2.812 8.655 383 H PHE 47 H PHE 47 -7.617 0.406 11.356 384 HA PHE 47 HA PHE 47 -7.501 1.534 8.643 385 HB2 PHE 47 2HB PHE 47 -7.348 3.743 9.844 386 HB3 PHE 47 1HB PHE 47 -8.866 2.881 10.070 387 HD1 PHE 47 2HD PHE 47 -5.656 3.750 11.665 388 HD2 PHE 47 1HD PHE 47 -9.579 2.193 12.212 389 HE1 PHE 47 2HE PHE 47 -5.370 3.901 14.103 390 HE2 PHE 47 1HE PHE 47 -9.300 2.342 14.651 391 HZ PHE 47 HZ PHE 47 -7.195 3.196 15.601 392 H ILE 48 H ILE 48 -5.590 0.573 11.353 393 HA ILE 48 HA ILE 48 -3.276 2.123 10.786 394 HB ILE 48 HB ILE 48 -3.375 -0.528 12.226 395 HG12 ILE 48 2HG1 ILE 48 -3.337 2.000 13.764 396 HG13 ILE 48 1HG1 ILE 48 -4.853 1.626 12.948 397 HG21 ILE 48 1HG2 ILE 48 -1.134 0.173 11.643 398 HG22 ILE 48 2HG2 ILE 48 -1.380 0.339 13.381 399 HG23 ILE 48 3HG2 ILE 48 -1.422 1.765 12.344 400 HD11 ILE 48 3HD1 ILE 48 -5.226 0.603 14.936 401 HD12 ILE 48 1HD1 ILE 48 -3.518 0.250 15.205 402 HD13 ILE 48 2HD1 ILE 48 -4.454 -0.730 14.075 403 H ILE 49 H ILE 49 -2.675 1.954 8.654 404 HA ILE 49 HA ILE 49 -2.299 -0.642 7.427 405 HB ILE 49 HB ILE 49 -1.521 2.051 6.310 406 HG12 ILE 49 2HG1 ILE 49 -4.119 0.542 5.942 407 HG13 ILE 49 1HG1 ILE 49 -3.922 1.978 6.941 408 HG21 ILE 49 1HG2 ILE 49 -1.082 1.014 4.357 409 HG22 ILE 49 2HG2 ILE 49 -2.382 -0.160 4.564 410 HG23 ILE 49 3HG2 ILE 49 -0.841 -0.392 5.393 411 HD11 ILE 49 3HD1 ILE 49 -4.263 3.275 5.187 412 HD12 ILE 49 1HD1 ILE 49 -4.549 1.835 4.208 413 HD13 ILE 49 2HD1 ILE 49 -2.925 2.517 4.323 414 H ASP 50 H ASP 50 -0.662 -1.557 8.719 415 HA ASP 50 HA ASP 50 1.952 -0.231 8.654 416 HB2 ASP 50 2HB ASP 50 0.684 -1.427 10.738 417 HB3 ASP 50 1HB ASP 50 1.662 -2.766 10.145 418 H ASP 51 H ASP 51 3.643 -2.365 8.888 419 HA ASP 51 HA ASP 51 4.028 -3.159 6.237 420 HB2 ASP 51 2HB ASP 51 5.630 -3.156 8.344 421 HB3 ASP 51 1HB ASP 51 5.121 -4.838 8.455 422 H GLU 52 H GLU 52 2.473 -4.818 8.937 423 HA GLU 52 HA GLU 52 2.154 -7.332 7.754 424 HB2 GLU 52 2HB GLU 52 0.884 -5.852 9.984 425 HB3 GLU 52 1HB GLU 52 -0.042 -7.191 9.318 426 HG2 GLU 52 2HG GLU 52 1.430 -8.763 10.050 427 HG3 GLU 52 1HG GLU 52 2.811 -7.668 9.969 428 H ILE 53 H ILE 53 0.314 -4.370 7.421 429 HA ILE 53 HA ILE 53 -1.828 -5.639 5.954 430 HB ILE 53 HB ILE 53 -1.289 -2.679 6.148 431 HG12 ILE 53 2HG1 ILE 53 -1.326 -3.658 8.410 432 HG13 ILE 53 1HG1 ILE 53 -2.736 -2.645 8.120 433 HG21 ILE 53 1HG2 ILE 53 -3.907 -4.132 5.860 434 HG22 ILE 53 2HG2 ILE 53 -2.955 -3.570 4.485 435 HG23 ILE 53 3HG2 ILE 53 -3.591 -2.410 5.652 436 HD11 ILE 53 3HD1 ILE 53 -2.896 -5.041 9.242 437 HD12 ILE 53 1HD1 ILE 53 -3.014 -5.532 7.552 438 HD13 ILE 53 2HD1 ILE 53 -4.176 -4.386 8.221 439 H ALA 54 H ALA 54 0.921 -3.522 5.221 440 HA ALA 54 HA ALA 54 0.381 -3.214 2.473 441 HB1 ALA 54 1HB ALA 54 2.280 -1.996 2.412 442 HB2 ALA 54 2HB ALA 54 3.209 -3.198 3.307 443 HB3 ALA 54 3HB ALA 54 2.144 -2.088 4.169 444 H ASN 55 H ASN 55 1.972 -5.729 4.299 445 HA ASN 55 HA ASN 55 3.222 -6.997 2.072 446 HB2 ASN 55 2HB ASN 55 3.603 -7.218 4.705 447 HB3 ASN 55 1HB ASN 55 2.502 -8.576 4.492 448 HD21 ASN 55 1HD2 ASN 55 5.409 -7.159 3.040 449 HD22 ASN 55 2HD2 ASN 55 6.185 -8.665 2.707 450 H GLU 56 H GLU 56 0.405 -7.937 4.052 451 HA GLU 56 HA GLU 56 -0.411 -10.064 2.424 452 HB2 GLU 56 2HB GLU 56 -1.215 -9.070 4.824 453 HB3 GLU 56 1HB GLU 56 -2.556 -8.574 3.799 454 HG2 GLU 56 2HG GLU 56 -2.339 -11.116 3.010 455 HG3 GLU 56 1HG GLU 56 -1.708 -11.271 4.649 456 H PHE 57 H PHE 57 -1.216 -6.632 2.339 457 HA PHE 57 HA PHE 57 -3.289 -6.735 0.461 458 HB2 PHE 57 2HB PHE 57 -2.783 -4.727 1.774 459 HB3 PHE 57 1HB PHE 57 -1.255 -4.542 0.920 460 HD1 PHE 57 1HD PHE 57 -4.899 -4.854 0.186 461 HD2 PHE 57 2HD PHE 57 -1.173 -3.070 -0.838 462 HE1 PHE 57 1HE PHE 57 -6.027 -3.493 -1.525 463 HE2 PHE 57 2HE PHE 57 -2.294 -1.704 -2.550 464 HZ PHE 57 HZ PHE 57 -4.724 -1.913 -2.895 465 H LEU 58 H LEU 58 0.148 -5.951 -0.102 466 HA LEU 58 HA LEU 58 -0.017 -5.945 -2.904 467 HB2 LEU 58 2HB LEU 58 2.355 -6.516 -1.126 468 HB3 LEU 58 1HB LEU 58 2.447 -6.178 -2.845 469 HG LEU 58 HG LEU 58 1.367 -4.243 -0.796 470 HD11 LEU 58 1HD1 LEU 58 3.974 -3.886 -2.192 471 HD12 LEU 58 2HD1 LEU 58 3.895 -4.923 -0.767 472 HD13 LEU 58 3HD1 LEU 58 3.418 -3.227 -0.652 473 HD21 LEU 58 3HD2 LEU 58 1.682 -4.219 -3.743 474 HD22 LEU 58 1HD2 LEU 58 2.039 -2.728 -2.871 475 HD23 LEU 58 2HD2 LEU 58 0.448 -3.474 -2.728 476 H LYS 59 H LYS 59 0.323 -8.537 -0.607 477 HA LYS 59 HA LYS 59 1.231 -10.494 -2.484 478 HB2 LYS 59 2HB LYS 59 1.382 -10.450 0.136 479 HB3 LYS 59 1HB LYS 59 -0.197 -11.217 0.044 480 HG2 LYS 59 2HG LYS 59 0.655 -13.179 -0.612 481 HG3 LYS 59 1HG LYS 59 1.828 -12.422 -1.692 482 HD2 LYS 59 2HD LYS 59 3.314 -13.168 -0.166 483 HD3 LYS 59 1HD LYS 59 2.845 -11.705 0.701 484 HE2 LYS 59 2HE LYS 59 2.268 -13.015 2.404 485 HE3 LYS 59 1HE LYS 59 0.926 -13.587 1.413 486 HZ1 LYS 59 3HZ LYS 59 2.593 -15.247 0.494 487 HZ2 LYS 59 1HZ LYS 59 2.047 -15.505 2.075 488 HZ3 LYS 59 2HZ LYS 59 3.577 -14.834 1.807 489 H SER 60 H SER 60 -1.877 -9.335 -1.409 490 HA SER 60 HA SER 60 -3.372 -11.533 -2.484 491 HB2 SER 60 2HB SER 60 -3.947 -9.565 -0.684 492 HB3 SER 60 1HB SER 60 -4.784 -8.973 -2.117 493 HG SER 60 HG SER 60 -6.262 -10.379 -1.662 494 H ILE 61 H ILE 61 -2.769 -8.182 -3.511 495 HA ILE 61 HA ILE 61 -4.283 -8.290 -5.879 496 HB ILE 61 HB ILE 61 -2.891 -6.357 -6.622 497 HG12 ILE 61 2HG1 ILE 61 -1.518 -6.706 -3.951 498 HG13 ILE 61 1HG1 ILE 61 -0.793 -7.121 -5.499 499 HG21 ILE 61 1HG2 ILE 61 -3.958 -6.206 -3.807 500 HG22 ILE 61 2HG2 ILE 61 -4.898 -6.023 -5.288 501 HG23 ILE 61 3HG2 ILE 61 -3.667 -4.833 -4.873 502 HD11 ILE 61 3HD1 ILE 61 -1.204 -4.694 -6.146 503 HD12 ILE 61 1HD1 ILE 61 0.070 -5.024 -4.971 504 HD13 ILE 61 2HD1 ILE 61 -1.496 -4.416 -4.429 505 H GLY 62 H GLY 62 -1.025 -9.316 -5.131 506 HA2 GLY 62 2HA GLY 62 -0.097 -11.115 -6.489 507 HA3 GLY 62 1HA GLY 62 -0.792 -10.324 -7.896 508 H ALA 63 H ALA 63 0.936 -8.711 -5.288 509 HA ALA 63 HA ALA 63 2.942 -7.850 -7.256 510 HB1 ALA 63 1HB ALA 63 1.687 -6.574 -4.907 511 HB2 ALA 63 2HB ALA 63 2.213 -5.874 -6.439 512 HB3 ALA 63 3HB ALA 63 3.394 -6.217 -5.175 513 H GLU 64 H GLU 64 3.884 -10.068 -6.902 514 HA GLU 64 HA GLU 64 5.760 -9.972 -4.634 515 HB2 GLU 64 2HB GLU 64 4.544 -12.488 -5.784 516 HB3 GLU 64 1HB GLU 64 5.629 -12.379 -4.406 517 HG2 GLU 64 2HG GLU 64 2.876 -11.169 -4.512 518 HG3 GLU 64 1HG GLU 64 3.264 -12.729 -3.787 519 H VAL 65 H VAL 65 6.364 -8.877 -7.091 520 HA VAL 65 HA VAL 65 8.023 -8.841 -8.649 521 HB VAL 65 HB VAL 65 9.113 -11.319 -7.313 522 HG11 VAL 65 1HG1 VAL 65 10.097 -9.425 -9.352 523 HG12 VAL 65 2HG1 VAL 65 10.465 -11.133 -9.115 524 HG13 VAL 65 3HG1 VAL 65 11.255 -9.913 -8.117 525 HG21 VAL 65 3HG2 VAL 65 9.543 -8.417 -6.612 526 HG22 VAL 65 1HG2 VAL 65 10.497 -9.758 -5.978 527 HG23 VAL 65 2HG2 VAL 65 8.777 -9.647 -5.608 528 H GLU 66 H GLU 66 6.641 -9.309 -10.371 529 HA GLU 66 HA GLU 66 6.371 -12.111 -11.167 530 HB2 GLU 66 2HB GLU 66 4.695 -9.812 -11.369 531 HB3 GLU 66 1HB GLU 66 5.067 -10.356 -12.998 532 HG2 GLU 66 2HG GLU 66 3.299 -11.691 -12.679 533 HG3 GLU 66 1HG GLU 66 4.468 -12.709 -11.840 534 H LEU 67 H LEU 67 6.420 -12.388 -13.666 535 HA LEU 67 HA LEU 67 8.594 -10.834 -14.863 536 HB2 LEU 67 2HB LEU 67 9.109 -13.255 -13.732 537 HB3 LEU 67 1HB LEU 67 8.733 -13.731 -15.377 538 HG LEU 67 HG LEU 67 11.112 -13.447 -15.169 539 HD11 LEU 67 1HD1 LEU 67 11.523 -11.823 -16.919 540 HD12 LEU 67 2HD1 LEU 67 9.937 -11.099 -16.650 541 HD13 LEU 67 3HD1 LEU 67 10.061 -12.743 -17.274 542 HD21 LEU 67 3HD2 LEU 67 10.320 -10.946 -13.792 543 HD22 LEU 67 1HD2 LEU 67 11.788 -10.903 -14.768 544 HD23 LEU 67 2HD2 LEU 67 11.641 -12.064 -13.448 545 HA PRO 68 HA PRO 68 5.080 -11.551 -17.803 546 HB2 PRO 68 2HB PRO 68 5.041 -9.022 -18.780 547 HB3 PRO 68 1HB PRO 68 4.177 -9.493 -17.312 548 HG2 PRO 68 2HG PRO 68 6.824 -8.124 -17.594 549 HG3 PRO 68 1HG PRO 68 5.495 -7.771 -16.474 550 HD2 PRO 68 2HD PRO 68 7.696 -9.167 -15.736 551 HD3 PRO 68 1HD PRO 68 6.095 -9.463 -15.030 552 H GLN 69 H GLN 69 5.044 -11.169 -20.190 553 HA GLN 69 HA GLN 69 7.615 -11.837 -21.302 554 HB2 GLN 69 2HB GLN 69 5.225 -12.714 -21.951 555 HB3 GLN 69 1HB GLN 69 5.199 -11.289 -22.983 556 HG2 GLN 69 2HG GLN 69 6.384 -12.350 -24.514 557 HG3 GLN 69 1HG GLN 69 7.682 -12.620 -23.354 558 HE21 GLN 69 1HE2 GLN 69 4.426 -13.877 -24.013 559 HE22 GLN 69 2HE2 GLN 69 4.850 -15.543 -23.845 560 H GLU 70 H GLU 70 9.048 -10.408 -21.994 561 HA GLU 70 HA GLU 70 8.081 -7.834 -23.052 562 HB2 GLU 70 2HB GLU 70 10.049 -8.395 -20.937 563 HB3 GLU 70 1HB GLU 70 10.583 -7.230 -22.140 564 HG2 GLU 70 2HG GLU 70 7.978 -7.017 -20.657 565 HG3 GLU 70 1HG GLU 70 9.475 -6.255 -20.124 566 H ILE 71 H ILE 71 8.960 -7.141 -24.933 567 HA ILE 71 HA ILE 71 10.442 -9.025 -26.496 568 HB ILE 71 HB ILE 71 9.861 -6.150 -27.197 569 HG12 ILE 71 2HG1 ILE 71 8.156 -8.601 -27.692 570 HG13 ILE 71 1HG1 ILE 71 7.788 -7.317 -26.544 571 HG21 ILE 71 1HG2 ILE 71 11.207 -6.766 -28.896 572 HG22 ILE 71 2HG2 ILE 71 9.739 -7.528 -29.507 573 HG23 ILE 71 3HG2 ILE 71 10.933 -8.488 -28.631 574 HD11 ILE 71 3HD1 ILE 71 8.165 -5.983 -28.931 575 HD12 ILE 71 1HD1 ILE 71 6.621 -6.378 -28.178 576 HD13 ILE 71 2HD1 ILE 71 7.310 -7.455 -29.391 577 H LYS 72 H LYS 72 11.148 -5.809 -25.154 578 HA LYS 72 HA LYS 72 13.941 -6.483 -24.915 579 HB2 LYS 72 2HB LYS 72 14.730 -4.545 -26.237 580 HB3 LYS 72 1HB LYS 72 13.918 -5.753 -27.223 581 HG2 LYS 72 2HG LYS 72 11.853 -4.106 -26.598 582 HG3 LYS 72 1HG LYS 72 13.198 -2.968 -26.677 583 HD2 LYS 72 2HD LYS 72 13.436 -4.735 -28.882 584 HD3 LYS 72 1HD LYS 72 11.760 -4.190 -28.815 585 HE2 LYS 72 2HE LYS 72 12.526 -2.408 -29.946 586 HE3 LYS 72 1HE LYS 72 13.089 -1.866 -28.366 587 HZ1 LYS 72 3HZ LYS 72 14.619 -3.004 -30.593 588 HZ2 LYS 72 1HZ LYS 72 15.167 -3.282 -29.016 589 HZ3 LYS 72 2HZ LYS 72 14.995 -1.699 -29.584 Start of MODEL 6 1 H MET 1 H MET 1 1.872 18.246 -1.811 2 HA MET 1 HA MET 1 2.090 17.017 -3.706 3 HB2 MET 1 2HB MET 1 4.251 17.613 -2.071 4 HB3 MET 1 1HB MET 1 4.567 15.960 -2.577 5 HG2 MET 1 2HG MET 1 3.785 17.962 -4.631 6 HG3 MET 1 1HG MET 1 5.422 18.004 -3.976 7 HE1 MET 1 2HE MET 1 4.311 15.790 -7.522 8 HE2 MET 1 3HE MET 1 4.840 17.439 -7.188 9 HE3 MET 1 1HE MET 1 3.265 16.885 -6.617 10 H ASP 2 H ASP 2 2.258 15.047 -0.828 11 HA ASP 2 HA ASP 2 2.299 12.584 -2.395 12 HB2 ASP 2 2HB ASP 2 2.356 11.500 -0.102 13 HB3 ASP 2 1HB ASP 2 3.744 12.506 -0.505 14 H GLU 3 H GLU 3 0.261 12.598 -3.347 15 HA GLU 3 HA GLU 3 -2.153 13.079 -1.989 16 HB2 GLU 3 2HB GLU 3 -1.621 11.435 -4.469 17 HB3 GLU 3 1HB GLU 3 -3.216 11.923 -3.916 18 HG2 GLU 3 2HG GLU 3 -2.875 14.138 -4.455 19 HG3 GLU 3 1HG GLU 3 -1.119 13.986 -4.406 20 H PHE 4 H PHE 4 -0.126 10.267 -2.207 21 HA PHE 4 HA PHE 4 -1.976 8.272 -1.546 22 HB2 PHE 4 2HB PHE 4 0.425 7.971 -2.323 23 HB3 PHE 4 1HB PHE 4 0.910 8.302 -0.663 24 HD1 PHE 4 2HD PHE 4 -1.679 6.190 -2.334 25 HD2 PHE 4 1HD PHE 4 1.463 6.431 0.525 26 HE1 PHE 4 2HE PHE 4 -2.016 3.818 -1.771 27 HE2 PHE 4 1HE PHE 4 1.132 4.061 1.094 28 HZ PHE 4 HZ PHE 4 -0.608 2.750 -0.054 29 H VAL 5 H VAL 5 0.184 10.148 0.576 30 HA VAL 5 HA VAL 5 -0.910 9.045 2.973 31 HB VAL 5 HB VAL 5 0.694 11.588 2.693 32 HG11 VAL 5 1HG1 VAL 5 -0.595 10.680 4.885 33 HG12 VAL 5 2HG1 VAL 5 0.897 11.619 4.938 34 HG13 VAL 5 3HG1 VAL 5 0.957 9.862 5.063 35 HG21 VAL 5 3HG2 VAL 5 1.674 9.424 1.681 36 HG22 VAL 5 1HG2 VAL 5 1.862 8.911 3.358 37 HG23 VAL 5 2HG2 VAL 5 2.672 10.369 2.786 38 H LYS 6 H LYS 6 -1.042 12.348 1.617 39 HA LYS 6 HA LYS 6 -2.929 13.357 3.408 40 HB2 LYS 6 2HB LYS 6 -1.490 14.656 1.776 41 HB3 LYS 6 1HB LYS 6 -2.650 14.218 0.529 42 HG2 LYS 6 2HG LYS 6 -3.562 15.572 3.033 43 HG3 LYS 6 1HG LYS 6 -2.863 16.504 1.705 44 HD2 LYS 6 2HD LYS 6 -4.649 14.914 0.391 45 HD3 LYS 6 1HD LYS 6 -5.477 15.192 1.925 46 HE2 LYS 6 2HE LYS 6 -6.193 17.075 0.924 47 HE3 LYS 6 1HE LYS 6 -4.599 17.690 1.360 48 HZ1 LYS 6 3HZ LYS 6 -3.926 16.687 -0.911 49 HZ2 LYS 6 1HZ LYS 6 -4.721 18.180 -0.866 50 HZ3 LYS 6 2HZ LYS 6 -5.579 16.775 -1.257 51 H GLY 7 H GLY 7 -3.322 11.431 0.523 52 HA2 GLY 7 2HA GLY 7 -6.122 11.916 0.207 53 HA3 GLY 7 1HA GLY 7 -5.197 10.629 -0.553 54 H LEU 8 H LEU 8 -4.228 9.640 2.060 55 HA LEU 8 HA LEU 8 -6.511 7.962 2.648 56 HB2 LEU 8 2HB LEU 8 -3.646 7.954 3.572 57 HB3 LEU 8 1HB LEU 8 -4.845 6.854 4.224 58 HG LEU 8 HG LEU 8 -4.284 6.995 1.274 59 HD11 LEU 8 1HD1 LEU 8 -2.711 5.695 3.429 60 HD12 LEU 8 2HD1 LEU 8 -2.179 6.387 1.897 61 HD13 LEU 8 3HD1 LEU 8 -2.958 4.804 1.928 62 HD21 LEU 8 3HD2 LEU 8 -5.836 5.273 3.107 63 HD22 LEU 8 1HD2 LEU 8 -4.980 4.466 1.793 64 HD23 LEU 8 2HD2 LEU 8 -6.155 5.731 1.434 65 H MET 9 H MET 9 -4.551 10.398 4.280 66 HA MET 9 HA MET 9 -5.599 10.134 6.857 67 HB2 MET 9 2HB MET 9 -3.679 11.673 5.770 68 HB3 MET 9 1HB MET 9 -4.959 12.870 5.909 69 HG2 MET 9 2HG MET 9 -4.446 13.152 8.036 70 HG3 MET 9 1HG MET 9 -4.877 11.473 8.354 71 HE1 MET 9 3HE MET 9 -2.403 9.383 8.281 72 HE2 MET 9 1HE MET 9 -1.442 10.009 6.941 73 HE3 MET 9 2HE MET 9 -3.197 9.911 6.798 74 H LYS 10 H LYS 10 -6.880 11.687 4.008 75 HA LYS 10 HA LYS 10 -8.832 13.300 5.240 76 HB2 LYS 10 2HB LYS 10 -8.475 12.149 2.500 77 HB3 LYS 10 1HB LYS 10 -10.003 12.913 2.918 78 HG2 LYS 10 2HG LYS 10 -7.556 14.435 3.554 79 HG3 LYS 10 1HG LYS 10 -7.948 14.236 1.846 80 HD2 LYS 10 2HD LYS 10 -10.298 15.016 2.477 81 HD3 LYS 10 1HD LYS 10 -9.584 15.537 4.004 82 HE2 LYS 10 2HE LYS 10 -9.603 17.419 2.545 83 HE3 LYS 10 1HE LYS 10 -7.932 16.869 2.678 84 HZ1 LYS 10 3HZ LYS 10 -8.981 17.419 0.367 85 HZ2 LYS 10 1HZ LYS 10 -9.576 15.838 0.479 86 HZ3 LYS 10 2HZ LYS 10 -7.909 16.122 0.538 87 H ASN 11 H ASN 11 -8.768 9.908 4.383 88 HA ASN 11 HA ASN 11 -11.578 9.609 5.152 89 HB2 ASN 11 2HB ASN 11 -9.635 7.715 3.823 90 HB3 ASN 11 1HB ASN 11 -11.259 7.248 4.322 91 HD21 ASN 11 1HD2 ASN 11 -12.791 7.434 2.861 92 HD22 ASN 11 2HD2 ASN 11 -12.739 8.432 1.452 93 H GLY 12 H GLY 12 -9.376 10.155 7.069 94 HA2 GLY 12 2HA GLY 12 -8.708 9.468 9.154 95 HA3 GLY 12 1HA GLY 12 -10.193 8.529 9.176 96 H TYR 13 H TYR 13 -7.304 8.222 7.131 97 HA TYR 13 HA TYR 13 -6.959 5.499 8.206 98 HB2 TYR 13 2HB TYR 13 -6.840 6.535 5.400 99 HB3 TYR 13 1HB TYR 13 -5.847 5.152 5.847 100 HD1 TYR 13 1HD TYR 13 -6.886 3.026 6.477 101 HD2 TYR 13 2HD TYR 13 -9.240 6.348 5.248 102 HE1 TYR 13 1HE TYR 13 -8.812 1.532 6.149 103 HE2 TYR 13 2HE TYR 13 -11.173 4.864 4.917 104 HH TYR 13 HH TYR 13 -11.678 2.549 4.549 105 H LEU 14 H LEU 14 -4.916 4.819 8.713 106 HA LEU 14 HA LEU 14 -2.815 6.881 8.595 107 HB2 LEU 14 2HB LEU 14 -3.228 4.621 10.551 108 HB3 LEU 14 1HB LEU 14 -1.805 5.644 10.521 109 HG LEU 14 HG LEU 14 -3.280 6.402 12.264 110 HD11 LEU 14 1HD1 LEU 14 -3.047 8.602 11.828 111 HD12 LEU 14 2HD1 LEU 14 -3.855 8.491 10.265 112 HD13 LEU 14 3HD1 LEU 14 -2.166 8.008 10.420 113 HD21 LEU 14 3HD2 LEU 14 -5.434 7.115 10.338 114 HD22 LEU 14 1HD2 LEU 14 -5.529 6.764 12.062 115 HD23 LEU 14 2HD2 LEU 14 -5.327 5.450 10.906 116 H ILE 15 H ILE 15 -0.545 5.722 8.862 117 HA ILE 15 HA ILE 15 -0.142 3.197 7.690 118 HB ILE 15 HB ILE 15 -0.967 4.294 5.654 119 HG12 ILE 15 2HG1 ILE 15 2.007 3.739 5.555 120 HG13 ILE 15 1HG1 ILE 15 0.744 2.512 5.511 121 HG21 ILE 15 1HG2 ILE 15 1.418 5.999 5.365 122 HG22 ILE 15 2HG2 ILE 15 0.223 6.537 6.546 123 HG23 ILE 15 3HG2 ILE 15 -0.250 6.281 4.867 124 HD11 ILE 15 3HD1 ILE 15 0.607 2.716 3.318 125 HD12 ILE 15 1HD1 ILE 15 1.901 3.913 3.360 126 HD13 ILE 15 2HD1 ILE 15 0.221 4.430 3.478 127 H THR 16 H THR 16 1.684 2.612 8.645 128 HA THR 16 HA THR 16 3.511 4.387 9.824 129 HB THR 16 HB THR 16 5.037 2.349 9.921 130 HG1 THR 16 1HG THR 16 4.440 0.597 8.881 131 HG21 THR 16 3HG2 THR 16 2.232 2.305 11.016 132 HG22 THR 16 1HG2 THR 16 3.712 2.819 11.826 133 HG23 THR 16 2HG2 THR 16 3.448 1.111 11.470 134 HA PRO 17 HA PRO 17 6.230 5.602 6.577 135 HB2 PRO 17 2HB PRO 17 8.655 5.558 7.822 136 HB3 PRO 17 1HB PRO 17 7.444 6.816 8.096 137 HG2 PRO 17 2HG PRO 17 8.069 4.397 9.744 138 HG3 PRO 17 1HG PRO 17 7.733 6.056 10.273 139 HD2 PRO 17 2HD PRO 17 5.865 4.111 10.375 140 HD3 PRO 17 1HD PRO 17 5.448 5.803 10.037 141 H SER 18 H SER 18 6.955 2.646 8.317 142 HA SER 18 HA SER 18 8.963 1.672 6.577 143 HB2 SER 18 2HB SER 18 8.041 0.875 8.986 144 HB3 SER 18 1HB SER 18 7.230 -0.301 7.952 145 HG SER 18 HG SER 18 9.866 -0.099 8.630 146 H ALA 19 H ALA 19 5.463 1.510 6.547 147 HA ALA 19 HA ALA 19 5.411 -0.366 4.338 148 HB1 ALA 19 1HB ALA 19 3.658 -0.655 5.890 149 HB2 ALA 19 2HB ALA 19 2.917 0.068 4.462 150 HB3 ALA 19 3HB ALA 19 3.258 1.062 5.877 151 H TYR 20 H TYR 20 5.012 3.076 4.885 152 HA TYR 20 HA TYR 20 3.897 3.794 2.418 153 HB2 TYR 20 2HB TYR 20 3.995 5.346 4.299 154 HB3 TYR 20 1HB TYR 20 5.754 5.367 4.219 155 HD1 TYR 20 2HD TYR 20 2.743 6.135 2.155 156 HD2 TYR 20 1HD TYR 20 6.819 7.021 2.985 157 HE1 TYR 20 2HE TYR 20 2.642 8.034 0.594 158 HE2 TYR 20 1HE TYR 20 6.731 8.922 1.427 159 HH TYR 20 HH TYR 20 3.795 10.119 0.156 160 H TYR 21 H TYR 21 7.231 3.225 3.387 161 HA TYR 21 HA TYR 21 8.467 4.242 1.063 162 HB2 TYR 21 2HB TYR 21 9.264 2.574 3.363 163 HB3 TYR 21 1HB TYR 21 10.206 2.320 1.899 164 HD1 TYR 21 1HD TYR 21 8.919 5.109 4.027 165 HD2 TYR 21 2HD TYR 21 12.047 3.668 1.528 166 HE1 TYR 21 1HE TYR 21 10.247 7.114 4.541 167 HE2 TYR 21 2HE TYR 21 13.383 5.669 2.037 168 HH TYR 21 HH TYR 21 13.553 7.379 3.769 169 H LEU 22 H LEU 22 6.928 1.199 1.785 170 HA LEU 22 HA LEU 22 7.927 -0.020 -0.667 171 HB2 LEU 22 2HB LEU 22 6.142 -1.086 1.521 172 HB3 LEU 22 1HB LEU 22 6.636 -2.008 0.113 173 HG LEU 22 HG LEU 22 8.734 -0.813 1.875 174 HD11 LEU 22 1HD1 LEU 22 6.889 -3.029 2.569 175 HD12 LEU 22 2HD1 LEU 22 7.710 -1.865 3.610 176 HD13 LEU 22 3HD1 LEU 22 8.600 -3.234 2.946 177 HD21 LEU 22 3HD2 LEU 22 8.767 -3.499 0.565 178 HD22 LEU 22 1HD2 LEU 22 10.112 -2.431 0.969 179 HD23 LEU 22 2HD2 LEU 22 9.054 -2.044 -0.388 180 H LEU 23 H LEU 23 5.025 1.409 0.641 181 HA LEU 23 HA LEU 23 3.366 0.511 -1.550 182 HB2 LEU 23 2HB LEU 23 2.891 2.338 0.795 183 HB3 LEU 23 1HB LEU 23 1.691 2.097 -0.462 184 HG LEU 23 HG LEU 23 2.801 -0.030 1.372 185 HD11 LEU 23 1HD1 LEU 23 0.406 1.689 1.407 186 HD12 LEU 23 2HD1 LEU 23 1.284 0.930 2.736 187 HD13 LEU 23 3HD1 LEU 23 0.146 -0.016 1.775 188 HD21 LEU 23 3HD2 LEU 23 0.690 -1.190 0.214 189 HD22 LEU 23 1HD2 LEU 23 2.329 -1.329 -0.422 190 HD23 LEU 23 2HD2 LEU 23 1.210 -0.158 -1.117 191 H VAL 24 H VAL 24 5.189 3.352 -0.664 192 HA VAL 24 HA VAL 24 4.015 5.236 -2.362 193 HB VAL 24 HB VAL 24 5.645 5.840 -0.631 194 HG11 VAL 24 1HG1 VAL 24 7.759 4.722 -2.464 195 HG12 VAL 24 2HG1 VAL 24 7.160 3.898 -1.025 196 HG13 VAL 24 3HG1 VAL 24 7.993 5.445 -0.872 197 HG21 VAL 24 3HG2 VAL 24 6.565 6.662 -3.385 198 HG22 VAL 24 1HG2 VAL 24 6.843 7.538 -1.880 199 HG23 VAL 24 2HG2 VAL 24 5.206 7.370 -2.512 200 H GLY 25 H GLY 25 6.548 2.843 -2.976 201 HA2 GLY 25 2HA GLY 25 7.082 3.752 -5.637 202 HA3 GLY 25 1HA GLY 25 7.626 2.241 -4.926 203 H HIS 26 H HIS 26 4.836 1.492 -4.224 204 HA HIS 26 HA HIS 26 4.186 0.269 -6.765 205 HB2 HIS 26 2HB HIS 26 4.022 -0.624 -4.206 206 HB3 HIS 26 1HB HIS 26 2.358 -0.126 -4.479 207 HD1 HIS 26 1HD HIS 26 4.911 -2.098 -6.515 208 HD2 HIS 26 2HD HIS 26 0.922 -2.226 -5.361 209 HE1 HIS 26 1HE HIS 26 3.981 -4.195 -7.545 210 HE2 HIS 26 2HE HIS 26 1.590 -4.298 -6.757 211 H PHE 27 H PHE 27 3.176 3.004 -4.966 212 HA PHE 27 HA PHE 27 0.578 3.143 -6.277 213 HB2 PHE 27 2HB PHE 27 0.798 3.764 -3.882 214 HB3 PHE 27 1HB PHE 27 1.865 5.085 -4.346 215 HD1 PHE 27 1HD PHE 27 -1.555 3.759 -4.983 216 HD2 PHE 27 2HD PHE 27 0.974 7.174 -4.755 217 HE1 PHE 27 1HE PHE 27 -3.509 5.222 -5.289 218 HE2 PHE 27 2HE PHE 27 -0.975 8.643 -5.060 219 HZ PHE 27 HZ PHE 27 -3.220 7.668 -5.327 220 H ASN 28 H ASN 28 3.615 4.973 -6.135 221 HA ASN 28 HA ASN 28 2.845 6.971 -7.977 222 HB2 ASN 28 2HB ASN 28 5.195 6.271 -6.479 223 HB3 ASN 28 1HB ASN 28 5.651 6.628 -8.142 224 HD21 ASN 28 1HD2 ASN 28 3.167 7.947 -5.983 225 HD22 ASN 28 2HD2 ASN 28 3.683 9.592 -6.115 226 H GLU 29 H GLU 29 4.562 3.898 -8.362 227 HA GLU 29 HA GLU 29 5.215 4.146 -11.070 228 HB2 GLU 29 2HB GLU 29 5.938 2.362 -9.346 229 HB3 GLU 29 1HB GLU 29 4.469 1.519 -9.813 230 HG2 GLU 29 2HG GLU 29 5.747 0.551 -11.357 231 HG3 GLU 29 1HG GLU 29 5.577 2.070 -12.235 232 H GLY 30 H GLY 30 2.241 3.167 -9.488 233 HA2 GLY 30 2HA GLY 30 0.123 3.479 -10.543 234 HA3 GLY 30 1HA GLY 30 0.905 3.264 -12.103 235 H LYS 31 H LYS 31 1.152 1.234 -9.208 236 HA LYS 31 HA LYS 31 0.393 -1.069 -10.831 237 HB2 LYS 31 2HB LYS 31 1.847 -0.668 -8.268 238 HB3 LYS 31 1HB LYS 31 0.964 -2.176 -8.461 239 HG2 LYS 31 2HG LYS 31 2.998 -1.156 -10.431 240 HG3 LYS 31 1HG LYS 31 3.360 -2.283 -9.121 241 HD2 LYS 31 2HD LYS 31 1.361 -2.747 -11.335 242 HD3 LYS 31 1HD LYS 31 2.982 -3.443 -11.253 243 HE2 LYS 31 2HE LYS 31 2.280 -4.425 -9.017 244 HE3 LYS 31 1HE LYS 31 0.634 -3.964 -9.446 245 HZ1 LYS 31 3HZ LYS 31 2.375 -5.749 -11.059 246 HZ2 LYS 31 1HZ LYS 31 0.765 -5.353 -11.395 247 HZ3 LYS 31 2HZ LYS 31 1.143 -6.271 -10.027 248 H PHE 32 H PHE 32 -0.507 0.383 -7.700 249 HA PHE 32 HA PHE 32 -3.145 -0.898 -7.991 250 HB2 PHE 32 2HB PHE 32 -3.292 -1.188 -5.642 251 HB3 PHE 32 1HB PHE 32 -1.685 -1.745 -6.094 252 HD1 PHE 32 1HD PHE 32 0.243 -0.051 -5.830 253 HD2 PHE 32 2HD PHE 32 -3.552 0.364 -3.949 254 HE1 PHE 32 1HE PHE 32 1.235 1.472 -4.171 255 HE2 PHE 32 2HE PHE 32 -2.567 1.889 -2.289 256 HZ PHE 32 HZ PHE 32 -0.170 2.445 -2.399 257 H SER 33 H SER 33 -4.810 0.300 -6.513 258 HA SER 33 HA SER 33 -4.491 3.196 -6.970 259 HB2 SER 33 2HB SER 33 -7.156 1.791 -6.945 260 HB3 SER 33 1HB SER 33 -6.755 3.376 -7.605 261 HG SER 33 HG SER 33 -6.818 2.103 -9.357 262 H LEU 34 H LEU 34 -5.707 4.588 -5.506 263 HA LEU 34 HA LEU 34 -5.256 3.971 -2.813 264 HB2 LEU 34 2HB LEU 34 -6.568 6.143 -4.317 265 HB3 LEU 34 1HB LEU 34 -7.111 5.952 -2.660 266 HG LEU 34 HG LEU 34 -4.256 6.404 -3.535 267 HD11 LEU 34 1HD1 LEU 34 -6.426 8.194 -2.566 268 HD12 LEU 34 2HD1 LEU 34 -5.189 8.477 -3.791 269 HD13 LEU 34 3HD1 LEU 34 -4.763 8.529 -2.082 270 HD21 LEU 34 3HD2 LEU 34 -3.979 5.232 -1.585 271 HD22 LEU 34 1HD2 LEU 34 -5.518 5.770 -0.912 272 HD23 LEU 34 2HD2 LEU 34 -4.140 6.871 -0.954 273 H ILE 35 H ILE 35 -8.280 4.001 -4.682 274 HA ILE 35 HA ILE 35 -10.019 3.321 -2.607 275 HB ILE 35 HB ILE 35 -10.791 4.098 -4.806 276 HG12 ILE 35 2HG1 ILE 35 -12.660 2.424 -5.084 277 HG13 ILE 35 1HG1 ILE 35 -11.840 1.410 -3.900 278 HG21 ILE 35 1HG2 ILE 35 -9.253 2.925 -6.243 279 HG22 ILE 35 2HG2 ILE 35 -10.906 2.498 -6.687 280 HG23 ILE 35 3HG2 ILE 35 -9.924 1.371 -5.752 281 HD11 ILE 35 3HD1 ILE 35 -13.012 4.142 -3.468 282 HD12 ILE 35 1HD1 ILE 35 -12.009 3.302 -2.285 283 HD13 ILE 35 2HD1 ILE 35 -13.555 2.610 -2.782 284 H GLU 36 H GLU 36 -7.855 1.352 -4.506 285 HA GLU 36 HA GLU 36 -9.011 -1.162 -3.821 286 HB2 GLU 36 2HB GLU 36 -6.341 -0.343 -4.947 287 HB3 GLU 36 1HB GLU 36 -6.708 -2.020 -4.563 288 HG2 GLU 36 2HG GLU 36 -8.816 -1.579 -6.047 289 HG3 GLU 36 1HG GLU 36 -7.829 -0.269 -6.694 290 H LEU 37 H LEU 37 -6.422 0.822 -2.476 291 HA LEU 37 HA LEU 37 -5.525 -1.096 -0.587 292 HB2 LEU 37 2HB LEU 37 -4.161 0.811 -1.334 293 HB3 LEU 37 1HB LEU 37 -5.270 1.911 -0.538 294 HG LEU 37 HG LEU 37 -4.649 1.047 1.636 295 HD11 LEU 37 1HD1 LEU 37 -3.368 -1.058 0.006 296 HD12 LEU 37 2HD1 LEU 37 -4.159 -1.160 1.579 297 HD13 LEU 37 3HD1 LEU 37 -2.510 -0.545 1.460 298 HD21 LEU 37 3HD2 LEU 37 -2.670 2.157 1.790 299 HD22 LEU 37 1HD2 LEU 37 -3.154 2.684 0.179 300 HD23 LEU 37 2HD2 LEU 37 -1.990 1.372 0.365 301 H ILE 38 H ILE 38 -7.865 1.546 -0.456 302 HA ILE 38 HA ILE 38 -8.373 1.384 2.324 303 HB ILE 38 HB ILE 38 -10.249 2.378 0.175 304 HG12 ILE 38 2HG1 ILE 38 -8.343 4.048 1.813 305 HG13 ILE 38 1HG1 ILE 38 -7.898 3.395 0.239 306 HG21 ILE 38 1HG2 ILE 38 -10.727 3.913 2.337 307 HG22 ILE 38 2HG2 ILE 38 -10.287 2.397 3.121 308 HG23 ILE 38 3HG2 ILE 38 -11.619 2.438 1.965 309 HD11 ILE 38 3HD1 ILE 38 -10.434 4.722 0.075 310 HD12 ILE 38 1HD1 ILE 38 -8.934 5.050 -0.794 311 HD13 ILE 38 2HD1 ILE 38 -9.220 5.789 0.781 312 H LYS 39 H LYS 39 -9.610 -0.340 -0.450 313 HA LYS 39 HA LYS 39 -11.886 -1.461 0.840 314 HB2 LYS 39 2HB LYS 39 -10.783 -1.459 -1.762 315 HB3 LYS 39 1HB LYS 39 -10.906 -3.145 -1.275 316 HG2 LYS 39 2HG LYS 39 -12.977 -2.917 -2.134 317 HG3 LYS 39 1HG LYS 39 -13.327 -2.308 -0.515 318 HD2 LYS 39 2HD LYS 39 -14.159 -0.533 -1.621 319 HD3 LYS 39 1HD LYS 39 -12.467 -0.048 -1.746 320 HE2 LYS 39 2HE LYS 39 -13.564 0.100 -3.912 321 HE3 LYS 39 1HE LYS 39 -12.318 -1.149 -3.929 322 HZ1 LYS 39 3HZ LYS 39 -15.062 -1.943 -3.283 323 HZ2 LYS 39 1HZ LYS 39 -13.850 -2.808 -4.086 324 HZ3 LYS 39 2HZ LYS 39 -14.698 -1.588 -4.896 325 H PHE 40 H PHE 40 -8.522 -2.360 0.586 326 HA PHE 40 HA PHE 40 -8.834 -5.043 1.491 327 HB2 PHE 40 2HB PHE 40 -6.863 -4.232 0.202 328 HB3 PHE 40 1HB PHE 40 -6.369 -3.292 1.608 329 HD1 PHE 40 2HD PHE 40 -6.954 -6.732 0.382 330 HD2 PHE 40 1HD PHE 40 -5.156 -4.278 3.357 331 HE1 PHE 40 2HE PHE 40 -5.730 -8.684 1.245 332 HE2 PHE 40 1HE PHE 40 -3.927 -6.225 4.227 333 HZ PHE 40 HZ PHE 40 -4.214 -8.432 3.171 334 H ALA 41 H ALA 41 -7.879 -2.013 3.081 335 HA ALA 41 HA ALA 41 -7.421 -3.083 5.633 336 HB1 ALA 41 1HB ALA 41 -7.886 -0.388 4.514 337 HB2 ALA 41 2HB ALA 41 -6.594 -0.977 5.559 338 HB3 ALA 41 3HB ALA 41 -8.171 -0.585 6.244 339 H LYS 42 H LYS 42 -10.364 -1.964 4.061 340 HA LYS 42 HA LYS 42 -12.045 -1.872 6.292 341 HB2 LYS 42 2HB LYS 42 -12.336 -1.848 3.409 342 HB3 LYS 42 1HB LYS 42 -13.635 -2.759 4.167 343 HG2 LYS 42 2HG LYS 42 -14.014 -0.788 5.668 344 HG3 LYS 42 1HG LYS 42 -12.871 0.106 4.663 345 HD2 LYS 42 2HD LYS 42 -14.973 -1.290 3.166 346 HD3 LYS 42 1HD LYS 42 -15.563 -0.019 4.238 347 HE2 LYS 42 2HE LYS 42 -13.335 1.089 2.993 348 HE3 LYS 42 1HE LYS 42 -14.152 0.188 1.717 349 HZ1 LYS 42 3HZ LYS 42 -15.912 1.568 1.746 350 HZ2 LYS 42 1HZ LYS 42 -14.804 2.667 2.399 351 HZ3 LYS 42 2HZ LYS 42 -15.855 1.817 3.418 352 H SER 43 H SER 43 -11.487 -4.540 4.000 353 HA SER 43 HA SER 43 -13.162 -6.409 5.240 354 HB2 SER 43 2HB SER 43 -11.376 -8.049 4.128 355 HB3 SER 43 1HB SER 43 -12.534 -7.143 3.154 356 HG SER 43 HG SER 43 -10.967 -5.943 2.392 357 H ARG 44 H ARG 44 -9.902 -5.395 5.955 358 HA ARG 44 HA ARG 44 -9.363 -7.572 7.758 359 HB2 ARG 44 2HB ARG 44 -7.904 -4.951 7.386 360 HB3 ARG 44 1HB ARG 44 -7.312 -6.336 8.292 361 HG2 ARG 44 2HG ARG 44 -8.006 -6.525 5.380 362 HG3 ARG 44 1HG ARG 44 -6.414 -6.003 5.938 363 HD2 ARG 44 2HD ARG 44 -5.883 -8.072 6.784 364 HD3 ARG 44 1HD ARG 44 -7.570 -8.518 7.039 365 HE ARG 44 HE ARG 44 -6.008 -8.920 4.660 366 HH11 ARG 44 1HH1 ARG 44 -9.239 -8.556 5.929 367 HH12 ARG 44 2HH1 ARG 44 -9.985 -9.398 4.613 368 HH21 ARG 44 1HH2 ARG 44 -6.988 -10.026 2.929 369 HH22 ARG 44 2HH2 ARG 44 -8.707 -10.234 2.910 370 H GLU 45 H GLU 45 -11.077 -4.644 7.967 371 HA GLU 45 HA GLU 45 -12.120 -3.575 9.679 372 HB2 GLU 45 2HB GLU 45 -11.350 -6.011 11.296 373 HB3 GLU 45 1HB GLU 45 -12.558 -4.814 11.741 374 HG2 GLU 45 2HG GLU 45 -14.036 -5.513 10.074 375 HG3 GLU 45 1HG GLU 45 -12.779 -6.392 9.204 376 H THR 46 H THR 46 -9.585 -2.735 9.163 377 HA THR 46 HA THR 46 -8.810 -1.656 11.728 378 HB THR 46 HB THR 46 -7.467 -3.646 11.806 379 HG1 THR 46 1HG THR 46 -5.364 -2.650 11.755 380 HG21 THR 46 3HG2 THR 46 -7.039 -4.647 9.844 381 HG22 THR 46 1HG2 THR 46 -5.657 -3.557 9.738 382 HG23 THR 46 2HG2 THR 46 -7.174 -3.136 8.945 383 H PHE 47 H PHE 47 -8.128 0.388 11.506 384 HA PHE 47 HA PHE 47 -7.687 1.384 8.788 385 HB2 PHE 47 2HB PHE 47 -7.923 3.650 9.956 386 HB3 PHE 47 1HB PHE 47 -9.365 2.645 9.864 387 HD1 PHE 47 2HD PHE 47 -6.489 3.321 12.140 388 HD2 PHE 47 1HD PHE 47 -10.615 2.348 11.767 389 HE1 PHE 47 2HE PHE 47 -6.740 3.470 14.583 390 HE2 PHE 47 1HE PHE 47 -10.874 2.497 14.210 391 HZ PHE 47 HZ PHE 47 -8.936 3.058 15.621 392 H ILE 48 H ILE 48 -5.633 -0.095 10.208 393 HA ILE 48 HA ILE 48 -3.582 2.016 10.395 394 HB ILE 48 HB ILE 48 -3.518 -0.614 11.874 395 HG12 ILE 48 2HG1 ILE 48 -3.904 2.033 13.223 396 HG13 ILE 48 1HG1 ILE 48 -5.297 1.211 12.527 397 HG21 ILE 48 1HG2 ILE 48 -1.331 0.381 11.340 398 HG22 ILE 48 2HG2 ILE 48 -1.651 0.355 13.074 399 HG23 ILE 48 3HG2 ILE 48 -1.819 1.859 12.169 400 HD11 ILE 48 3HD1 ILE 48 -5.333 -0.357 14.131 401 HD12 ILE 48 1HD1 ILE 48 -4.448 0.862 15.048 402 HD13 ILE 48 2HD1 ILE 48 -3.575 -0.441 14.241 403 H ILE 49 H ILE 49 -2.785 1.889 8.338 404 HA ILE 49 HA ILE 49 -2.207 -0.646 7.094 405 HB ILE 49 HB ILE 49 -1.335 2.086 6.163 406 HG12 ILE 49 2HG1 ILE 49 -3.878 0.595 5.480 407 HG13 ILE 49 1HG1 ILE 49 -3.785 1.995 6.543 408 HG21 ILE 49 1HG2 ILE 49 -1.299 1.028 3.955 409 HG22 ILE 49 2HG2 ILE 49 -1.759 -0.509 4.687 410 HG23 ILE 49 3HG2 ILE 49 -0.204 0.224 5.080 411 HD11 ILE 49 3HD1 ILE 49 -2.605 2.389 3.891 412 HD12 ILE 49 1HD1 ILE 49 -3.666 3.433 4.834 413 HD13 ILE 49 2HD1 ILE 49 -4.345 2.099 3.902 414 H ASP 50 H ASP 50 -0.713 -1.591 8.538 415 HA ASP 50 HA ASP 50 1.873 -0.251 8.834 416 HB2 ASP 50 2HB ASP 50 0.728 -2.716 10.160 417 HB3 ASP 50 1HB ASP 50 2.359 -2.112 10.440 418 H ASP 51 H ASP 51 3.699 -2.132 8.960 419 HA ASP 51 HA ASP 51 4.205 -2.844 6.302 420 HB2 ASP 51 2HB ASP 51 5.757 -2.675 8.463 421 HB3 ASP 51 1HB ASP 51 5.494 -4.417 8.480 422 H GLU 52 H GLU 52 2.619 -4.569 8.893 423 HA GLU 52 HA GLU 52 2.697 -7.150 7.743 424 HB2 GLU 52 2HB GLU 52 0.908 -7.701 9.325 425 HB3 GLU 52 1HB GLU 52 2.196 -6.796 10.109 426 HG2 GLU 52 2HG GLU 52 0.858 -4.761 9.970 427 HG3 GLU 52 1HG GLU 52 -0.432 -5.663 9.174 428 H ILE 53 H ILE 53 0.364 -4.503 7.541 429 HA ILE 53 HA ILE 53 -1.523 -5.967 5.974 430 HB ILE 53 HB ILE 53 -1.288 -2.967 6.181 431 HG12 ILE 53 2HG1 ILE 53 -1.343 -3.945 8.428 432 HG13 ILE 53 1HG1 ILE 53 -2.859 -3.124 8.069 433 HG21 ILE 53 1HG2 ILE 53 -3.591 -2.916 5.592 434 HG22 ILE 53 2HG2 ILE 53 -3.729 -4.668 5.731 435 HG23 ILE 53 3HG2 ILE 53 -2.778 -3.960 4.426 436 HD11 ILE 53 3HD1 ILE 53 -2.385 -5.862 8.790 437 HD12 ILE 53 1HD1 ILE 53 -3.254 -5.756 7.259 438 HD13 ILE 53 2HD1 ILE 53 -3.901 -4.968 8.698 439 H ALA 54 H ALA 54 1.105 -3.726 5.269 440 HA ALA 54 HA ALA 54 0.571 -3.331 2.541 441 HB1 ALA 54 1HB ALA 54 2.882 -2.934 4.332 442 HB2 ALA 54 2HB ALA 54 2.123 -1.824 3.190 443 HB3 ALA 54 3HB ALA 54 3.242 -3.059 2.610 444 H ASN 55 H ASN 55 2.518 -5.772 4.213 445 HA ASN 55 HA ASN 55 3.564 -7.010 1.909 446 HB2 ASN 55 2HB ASN 55 4.066 -7.280 4.530 447 HB3 ASN 55 1HB ASN 55 3.024 -8.682 4.307 448 HD21 ASN 55 1HD2 ASN 55 5.994 -7.133 3.291 449 HD22 ASN 55 2HD2 ASN 55 6.754 -8.560 2.682 450 H GLU 56 H GLU 56 0.777 -7.886 3.949 451 HA GLU 56 HA GLU 56 -0.052 -10.081 2.396 452 HB2 GLU 56 2HB GLU 56 -1.201 -8.433 4.560 453 HB3 GLU 56 1HB GLU 56 -2.373 -9.243 3.530 454 HG2 GLU 56 2HG GLU 56 -2.106 -11.001 4.856 455 HG3 GLU 56 1HG GLU 56 -0.551 -11.226 4.058 456 H PHE 57 H PHE 57 -0.657 -6.647 2.132 457 HA PHE 57 HA PHE 57 -2.856 -6.699 0.400 458 HB2 PHE 57 2HB PHE 57 -2.082 -4.659 1.538 459 HB3 PHE 57 1HB PHE 57 -0.625 -4.661 0.549 460 HD1 PHE 57 1HD PHE 57 -4.333 -4.559 0.269 461 HD2 PHE 57 2HD PHE 57 -0.587 -3.480 -1.436 462 HE1 PHE 57 1HE PHE 57 -5.500 -3.224 -1.437 463 HE2 PHE 57 2HE PHE 57 -1.747 -2.143 -3.147 464 HZ PHE 57 HZ PHE 57 -4.206 -2.014 -3.148 465 H LEU 58 H LEU 58 0.588 -6.262 -0.422 466 HA LEU 58 HA LEU 58 0.276 -6.386 -3.195 467 HB2 LEU 58 2HB LEU 58 2.675 -7.284 -1.597 468 HB3 LEU 58 1HB LEU 58 2.664 -6.827 -3.291 469 HG LEU 58 HG LEU 58 2.144 -4.992 -0.950 470 HD11 LEU 58 1HD1 LEU 58 4.401 -5.096 -0.915 471 HD12 LEU 58 2HD1 LEU 58 4.240 -3.936 -2.234 472 HD13 LEU 58 3HD1 LEU 58 4.513 -5.642 -2.589 473 HD21 LEU 58 3HD2 LEU 58 1.953 -3.211 -2.535 474 HD22 LEU 58 1HD2 LEU 58 0.801 -4.467 -2.982 475 HD23 LEU 58 2HD2 LEU 58 2.310 -4.299 -3.877 476 H LYS 59 H LYS 59 0.506 -8.915 -0.798 477 HA LYS 59 HA LYS 59 0.946 -11.029 -2.686 478 HB2 LYS 59 2HB LYS 59 0.690 -10.761 0.213 479 HB3 LYS 59 1HB LYS 59 -0.069 -12.221 -0.408 480 HG2 LYS 59 2HG LYS 59 2.057 -12.960 0.015 481 HG3 LYS 59 1HG LYS 59 2.186 -12.509 -1.687 482 HD2 LYS 59 2HD LYS 59 3.450 -10.642 -1.236 483 HD3 LYS 59 1HD LYS 59 2.797 -10.465 0.394 484 HE2 LYS 59 2HE LYS 59 4.091 -12.357 1.159 485 HE3 LYS 59 1HE LYS 59 4.669 -12.662 -0.479 486 HZ1 LYS 59 3HZ LYS 59 5.426 -10.137 -0.159 487 HZ2 LYS 59 1HZ LYS 59 6.408 -11.454 0.242 488 HZ3 LYS 59 2HZ LYS 59 5.523 -10.662 1.446 489 H SER 60 H SER 60 -1.823 -9.478 -1.243 490 HA SER 60 HA SER 60 -3.708 -11.497 -1.988 491 HB2 SER 60 2HB SER 60 -3.799 -9.433 -0.235 492 HB3 SER 60 1HB SER 60 -4.682 -8.730 -1.589 493 HG SER 60 HG SER 60 -5.270 -11.298 -0.556 494 H ILE 61 H ILE 61 -2.810 -8.321 -3.304 495 HA ILE 61 HA ILE 61 -4.638 -8.388 -5.464 496 HB ILE 61 HB ILE 61 -3.245 -6.588 -6.446 497 HG12 ILE 61 2HG1 ILE 61 -1.531 -6.716 -3.979 498 HG13 ILE 61 1HG1 ILE 61 -1.099 -7.631 -5.418 499 HG21 ILE 61 1HG2 ILE 61 -4.969 -6.347 -4.511 500 HG22 ILE 61 2HG2 ILE 61 -3.949 -4.977 -4.953 501 HG23 ILE 61 3HG2 ILE 61 -3.547 -5.959 -3.543 502 HD11 ILE 61 3HD1 ILE 61 -0.228 -5.160 -4.939 503 HD12 ILE 61 1HD1 ILE 61 -1.710 -4.775 -5.815 504 HD13 ILE 61 2HD1 ILE 61 -0.482 -5.793 -6.565 505 H GLY 62 H GLY 62 -1.446 -9.705 -4.999 506 HA2 GLY 62 2HA GLY 62 -0.598 -11.496 -6.293 507 HA3 GLY 62 1HA GLY 62 -1.661 -11.018 -7.606 508 H ALA 63 H ALA 63 0.669 -9.098 -5.740 509 HA ALA 63 HA ALA 63 2.012 -8.449 -8.281 510 HB1 ALA 63 1HB ALA 63 2.846 -6.472 -6.688 511 HB2 ALA 63 2HB ALA 63 1.303 -6.827 -5.912 512 HB3 ALA 63 3HB ALA 63 1.352 -6.385 -7.619 513 H GLU 64 H GLU 64 4.222 -8.574 -8.437 514 HA GLU 64 HA GLU 64 5.853 -9.134 -6.124 515 HB2 GLU 64 2HB GLU 64 6.668 -11.297 -6.892 516 HB3 GLU 64 1HB GLU 64 4.931 -11.359 -6.629 517 HG2 GLU 64 2HG GLU 64 4.944 -12.381 -8.625 518 HG3 GLU 64 1HG GLU 64 4.973 -10.728 -9.236 519 H VAL 65 H VAL 65 7.881 -8.417 -6.420 520 HA VAL 65 HA VAL 65 8.904 -8.089 -9.145 521 HB VAL 65 HB VAL 65 9.808 -5.808 -8.424 522 HG11 VAL 65 1HG1 VAL 65 7.325 -4.847 -8.746 523 HG12 VAL 65 2HG1 VAL 65 7.065 -6.514 -9.259 524 HG13 VAL 65 3HG1 VAL 65 8.281 -5.522 -10.066 525 HG21 VAL 65 3HG2 VAL 65 7.688 -6.226 -6.326 526 HG22 VAL 65 1HG2 VAL 65 8.307 -4.636 -6.777 527 HG23 VAL 65 2HG2 VAL 65 9.392 -5.842 -6.085 528 H GLU 66 H GLU 66 10.512 -9.575 -8.911 529 HA GLU 66 HA GLU 66 12.399 -9.193 -6.684 530 HB2 GLU 66 2HB GLU 66 11.263 -11.434 -6.941 531 HB3 GLU 66 1HB GLU 66 12.142 -11.629 -8.449 532 HG2 GLU 66 2HG GLU 66 14.248 -11.564 -7.290 533 HG3 GLU 66 1HG GLU 66 13.436 -11.206 -5.766 534 H LEU 67 H LEU 67 13.686 -7.595 -7.565 535 HA LEU 67 HA LEU 67 15.387 -6.701 -8.781 536 HB2 LEU 67 2HB LEU 67 16.346 -8.983 -8.145 537 HB3 LEU 67 1HB LEU 67 15.948 -9.485 -9.777 538 HG LEU 67 HG LEU 67 18.325 -8.814 -9.474 539 HD11 LEU 67 1HD1 LEU 67 18.501 -7.796 -11.552 540 HD12 LEU 67 2HD1 LEU 67 17.006 -6.886 -11.343 541 HD13 LEU 67 3HD1 LEU 67 16.946 -8.623 -11.638 542 HD21 LEU 67 3HD2 LEU 67 17.574 -6.887 -7.887 543 HD22 LEU 67 1HD2 LEU 67 17.431 -5.967 -9.384 544 HD23 LEU 67 2HD2 LEU 67 18.980 -6.673 -8.929 545 HA PRO 68 HA PRO 68 12.848 -6.691 -12.627 546 HB2 PRO 68 2HB PRO 68 12.805 -3.996 -12.896 547 HB3 PRO 68 1HB PRO 68 11.673 -4.869 -11.855 548 HG2 PRO 68 2HG PRO 68 14.181 -3.408 -11.122 549 HG3 PRO 68 1HG PRO 68 12.605 -3.402 -10.309 550 HD2 PRO 68 2HD PRO 68 14.697 -4.894 -9.440 551 HD3 PRO 68 1HD PRO 68 13.009 -5.402 -9.239 552 H GLN 69 H GLN 69 15.747 -4.828 -11.816 553 HA GLN 69 HA GLN 69 17.041 -5.664 -14.238 554 HB2 GLN 69 2HB GLN 69 15.579 -3.278 -14.350 555 HB3 GLN 69 1HB GLN 69 17.255 -2.777 -14.177 556 HG2 GLN 69 2HG GLN 69 17.891 -3.770 -16.173 557 HG3 GLN 69 1HG GLN 69 16.484 -4.833 -16.205 558 HE21 GLN 69 1HE2 GLN 69 14.622 -4.139 -17.127 559 HE22 GLN 69 2HE2 GLN 69 14.447 -2.617 -17.924 560 H GLU 70 H GLU 70 19.290 -4.713 -14.379 561 HA GLU 70 HA GLU 70 20.499 -3.406 -12.215 562 HB2 GLU 70 2HB GLU 70 21.688 -5.251 -11.138 563 HB3 GLU 70 1HB GLU 70 19.949 -5.444 -10.971 564 HG2 GLU 70 2HG GLU 70 19.934 -7.088 -12.753 565 HG3 GLU 70 1HG GLU 70 21.668 -6.865 -12.991 566 H ILE 71 H ILE 71 20.895 -5.827 -14.752 567 HA ILE 71 HA ILE 71 23.476 -4.580 -15.444 568 HB ILE 71 HB ILE 71 24.126 -6.699 -16.493 569 HG12 ILE 71 2HG1 ILE 71 22.652 -8.719 -15.685 570 HG13 ILE 71 1HG1 ILE 71 21.379 -7.506 -15.606 571 HG21 ILE 71 1HG2 ILE 71 23.522 -6.455 -13.612 572 HG22 ILE 71 2HG2 ILE 71 25.062 -6.707 -14.435 573 HG23 ILE 71 3HG2 ILE 71 23.958 -8.062 -14.195 574 HD11 ILE 71 3HD1 ILE 71 22.239 -8.956 -17.838 575 HD12 ILE 71 1HD1 ILE 71 22.759 -7.292 -18.101 576 HD13 ILE 71 2HD1 ILE 71 21.060 -7.646 -17.787 577 H LYS 72 H LYS 72 23.888 -4.068 -17.574 578 HA LYS 72 HA LYS 72 21.545 -3.705 -19.236 579 HB2 LYS 72 2HB LYS 72 24.390 -2.767 -19.349 580 HB3 LYS 72 1HB LYS 72 23.375 -2.657 -20.781 581 HG2 LYS 72 2HG LYS 72 22.070 -1.612 -18.403 582 HG3 LYS 72 1HG LYS 72 23.581 -0.782 -18.779 583 HD2 LYS 72 2HD LYS 72 22.726 0.188 -20.616 584 HD3 LYS 72 1HD LYS 72 21.880 -1.281 -21.110 585 HE2 LYS 72 2HE LYS 72 20.070 -0.822 -19.613 586 HE3 LYS 72 1HE LYS 72 20.951 0.521 -18.882 587 HZ1 LYS 72 3HZ LYS 72 19.961 0.401 -21.680 588 HZ2 LYS 72 1HZ LYS 72 20.843 1.681 -21.013 589 HZ3 LYS 72 2HZ LYS 72 19.297 1.325 -20.429 Start of MODEL 7 1 H MET 1 H MET 1 5.594 15.806 0.890 2 HA MET 1 HA MET 1 3.687 13.913 2.056 3 HB2 MET 1 2HB MET 1 4.054 16.825 1.806 4 HB3 MET 1 1HB MET 1 2.421 16.267 1.469 5 HG2 MET 1 2HG MET 1 2.675 14.966 3.694 6 HG3 MET 1 1HG MET 1 3.991 16.098 4.001 7 HE1 MET 1 2HE MET 1 3.114 18.465 5.593 8 HE2 MET 1 3HE MET 1 3.118 16.748 5.996 9 HE3 MET 1 1HE MET 1 1.689 17.726 6.327 10 H ASP 2 H ASP 2 3.301 12.485 0.390 11 HA ASP 2 HA ASP 2 2.645 13.561 -2.248 12 HB2 ASP 2 2HB ASP 2 2.983 10.705 -1.304 13 HB3 ASP 2 1HB ASP 2 2.643 11.188 -2.964 14 H GLU 3 H GLU 3 0.748 12.525 -3.376 15 HA GLU 3 HA GLU 3 -1.619 13.110 -2.005 16 HB2 GLU 3 2HB GLU 3 -1.258 11.395 -4.469 17 HB3 GLU 3 1HB GLU 3 -2.774 12.103 -3.929 18 HG2 GLU 3 2HG GLU 3 -0.764 14.136 -4.156 19 HG3 GLU 3 1HG GLU 3 -0.876 13.217 -5.656 20 H PHE 4 H PHE 4 0.189 10.147 -2.313 21 HA PHE 4 HA PHE 4 -1.802 8.309 -1.584 22 HB2 PHE 4 2HB PHE 4 0.478 7.765 -2.508 23 HB3 PHE 4 1HB PHE 4 1.136 8.099 -0.909 24 HD1 PHE 4 1HD PHE 4 -1.888 6.250 -2.073 25 HD2 PHE 4 2HD PHE 4 1.777 6.134 0.084 26 HE1 PHE 4 1HE PHE 4 -2.362 3.931 -1.402 27 HE2 PHE 4 2HE PHE 4 1.311 3.814 0.759 28 HZ PHE 4 HZ PHE 4 -0.760 2.710 0.016 29 H VAL 5 H VAL 5 0.660 9.906 0.441 30 HA VAL 5 HA VAL 5 -0.199 8.859 2.892 31 HB VAL 5 HB VAL 5 1.079 11.565 2.499 32 HG11 VAL 5 1HG1 VAL 5 1.596 11.548 4.711 33 HG12 VAL 5 2HG1 VAL 5 1.704 9.789 4.786 34 HG13 VAL 5 3HG1 VAL 5 0.126 10.576 4.779 35 HG21 VAL 5 3HG2 VAL 5 2.468 10.100 1.294 36 HG22 VAL 5 1HG2 VAL 5 2.285 8.813 2.486 37 HG23 VAL 5 2HG2 VAL 5 3.226 10.253 2.879 38 H LYS 6 H LYS 6 -0.751 12.163 1.652 39 HA LYS 6 HA LYS 6 -2.619 12.902 3.595 40 HB2 LYS 6 2HB LYS 6 -2.360 13.897 0.752 41 HB3 LYS 6 1HB LYS 6 -3.262 14.700 2.030 42 HG2 LYS 6 2HG LYS 6 -0.387 14.099 2.482 43 HG3 LYS 6 1HG LYS 6 -0.820 15.432 1.410 44 HD2 LYS 6 2HD LYS 6 -2.178 15.256 4.050 45 HD3 LYS 6 1HD LYS 6 -0.495 15.785 4.016 46 HE2 LYS 6 2HE LYS 6 -1.532 17.276 2.012 47 HE3 LYS 6 1HE LYS 6 -2.932 17.144 3.074 48 HZ1 LYS 6 3HZ LYS 6 -0.424 18.551 3.480 49 HZ2 LYS 6 1HZ LYS 6 -1.039 17.747 4.836 50 HZ3 LYS 6 2HZ LYS 6 -1.974 18.915 4.049 51 H GLY 7 H GLY 7 -2.999 11.155 0.583 52 HA2 GLY 7 2HA GLY 7 -5.775 11.387 0.263 53 HA3 GLY 7 1HA GLY 7 -4.794 10.056 -0.330 54 H LEU 8 H LEU 8 -3.870 9.150 2.219 55 HA LEU 8 HA LEU 8 -6.147 7.568 2.966 56 HB2 LEU 8 2HB LEU 8 -3.374 7.696 4.159 57 HB3 LEU 8 1HB LEU 8 -4.588 6.487 4.539 58 HG LEU 8 HG LEU 8 -3.699 6.827 1.704 59 HD11 LEU 8 1HD1 LEU 8 -1.654 6.678 3.111 60 HD12 LEU 8 2HD1 LEU 8 -1.871 5.313 2.015 61 HD13 LEU 8 3HD1 LEU 8 -2.247 5.137 3.731 62 HD21 LEU 8 3HD2 LEU 8 -5.618 5.321 2.654 63 HD22 LEU 8 1HD2 LEU 8 -4.285 4.254 3.092 64 HD23 LEU 8 2HD2 LEU 8 -4.533 4.707 1.406 65 H MET 9 H MET 9 -4.061 9.893 4.678 66 HA MET 9 HA MET 9 -5.371 9.893 7.123 67 HB2 MET 9 2HB MET 9 -3.591 11.757 5.678 68 HB3 MET 9 1HB MET 9 -4.561 12.476 6.956 69 HG2 MET 9 2HG MET 9 -3.553 11.221 8.611 70 HG3 MET 9 1HG MET 9 -3.001 9.987 7.481 71 HE1 MET 9 3HE MET 9 -0.324 10.002 6.676 72 HE2 MET 9 1HE MET 9 -0.841 9.746 8.343 73 HE3 MET 9 2HE MET 9 0.532 10.798 7.998 74 H LYS 10 H LYS 10 -6.325 11.309 4.106 75 HA LYS 10 HA LYS 10 -8.203 13.174 5.161 76 HB2 LYS 10 2HB LYS 10 -7.656 12.016 2.453 77 HB3 LYS 10 1HB LYS 10 -9.136 12.925 2.723 78 HG2 LYS 10 2HG LYS 10 -6.458 14.057 3.442 79 HG3 LYS 10 1HG LYS 10 -7.105 14.173 1.805 80 HD2 LYS 10 2HD LYS 10 -8.638 15.722 2.386 81 HD3 LYS 10 1HD LYS 10 -8.967 14.958 3.943 82 HE2 LYS 10 2HE LYS 10 -6.360 16.342 3.508 83 HE3 LYS 10 1HE LYS 10 -7.804 17.301 3.828 84 HZ1 LYS 10 3HZ LYS 10 -7.977 16.508 5.943 85 HZ2 LYS 10 1HZ LYS 10 -6.295 16.439 5.767 86 HZ3 LYS 10 2HZ LYS 10 -7.222 15.036 5.593 87 H ASN 11 H ASN 11 -8.306 9.788 4.329 88 HA ASN 11 HA ASN 11 -11.208 9.718 4.721 89 HB2 ASN 11 2HB ASN 11 -9.235 7.977 3.356 90 HB3 ASN 11 1HB ASN 11 -10.582 7.156 4.138 91 HD21 ASN 11 1HD2 ASN 11 -10.298 6.985 1.454 92 HD22 ASN 11 2HD2 ASN 11 -11.537 7.892 0.661 93 H GLY 12 H GLY 12 -9.341 10.182 6.927 94 HA2 GLY 12 2HA GLY 12 -9.086 9.530 9.112 95 HA3 GLY 12 1HA GLY 12 -10.509 8.529 8.867 96 H TYR 13 H TYR 13 -7.477 8.213 7.106 97 HA TYR 13 HA TYR 13 -7.106 5.585 8.388 98 HB2 TYR 13 2HB TYR 13 -6.825 6.493 5.563 99 HB3 TYR 13 1HB TYR 13 -5.717 5.253 6.140 100 HD1 TYR 13 2HD TYR 13 -6.542 3.043 6.772 101 HD2 TYR 13 1HD TYR 13 -9.184 6.031 5.290 102 HE1 TYR 13 2HE TYR 13 -8.260 1.326 6.389 103 HE2 TYR 13 1HE TYR 13 -10.909 4.322 4.905 104 HH TYR 13 HH TYR 13 -10.641 1.128 6.130 105 H LEU 14 H LEU 14 -4.865 4.826 8.537 106 HA LEU 14 HA LEU 14 -2.879 6.986 8.633 107 HB2 LEU 14 2HB LEU 14 -3.208 4.943 10.827 108 HB3 LEU 14 1HB LEU 14 -2.098 6.301 10.801 109 HG LEU 14 HG LEU 14 -5.060 6.763 10.703 110 HD11 LEU 14 1HD1 LEU 14 -3.443 5.820 12.987 111 HD12 LEU 14 2HD1 LEU 14 -5.168 5.647 12.665 112 HD13 LEU 14 3HD1 LEU 14 -4.538 7.168 13.297 113 HD21 LEU 14 3HD2 LEU 14 -3.000 8.463 10.415 114 HD22 LEU 14 1HD2 LEU 14 -3.191 8.513 12.167 115 HD23 LEU 14 2HD2 LEU 14 -4.550 8.923 11.120 116 H ILE 15 H ILE 15 -0.749 6.358 8.287 117 HA ILE 15 HA ILE 15 -0.231 3.524 7.761 118 HB ILE 15 HB ILE 15 -0.849 4.480 5.592 119 HG12 ILE 15 2HG1 ILE 15 2.136 4.012 5.717 120 HG13 ILE 15 1HG1 ILE 15 0.938 2.723 5.807 121 HG21 ILE 15 1HG2 ILE 15 -0.406 6.661 5.340 122 HG22 ILE 15 2HG2 ILE 15 1.183 6.117 4.801 123 HG23 ILE 15 3HG2 ILE 15 0.944 6.618 6.474 124 HD11 ILE 15 3HD1 ILE 15 2.121 3.559 3.533 125 HD12 ILE 15 1HD1 ILE 15 0.647 4.526 3.514 126 HD13 ILE 15 2HD1 ILE 15 0.547 2.767 3.603 127 H THR 16 H THR 16 1.907 2.896 8.017 128 HA THR 16 HA THR 16 3.538 4.742 9.562 129 HB THR 16 HB THR 16 4.980 2.782 9.992 130 HG1 THR 16 1HG THR 16 4.131 0.719 9.236 131 HG21 THR 16 3HG2 THR 16 2.831 1.335 10.863 132 HG22 THR 16 1HG2 THR 16 2.133 2.944 10.667 133 HG23 THR 16 2HG2 THR 16 3.534 2.711 11.713 134 HA PRO 17 HA PRO 17 6.379 5.812 6.368 135 HB2 PRO 17 2HB PRO 17 8.747 5.835 7.733 136 HB3 PRO 17 1HB PRO 17 7.534 7.114 7.858 137 HG2 PRO 17 2HG PRO 17 8.050 4.809 9.695 138 HG3 PRO 17 1HG PRO 17 7.698 6.500 10.093 139 HD2 PRO 17 2HD PRO 17 5.813 4.582 10.231 140 HD3 PRO 17 1HD PRO 17 5.426 6.242 9.737 141 H SER 18 H SER 18 7.018 2.960 8.301 142 HA SER 18 HA SER 18 9.103 1.895 6.706 143 HB2 SER 18 2HB SER 18 7.146 0.446 8.506 144 HB3 SER 18 1HB SER 18 8.659 -0.213 7.888 145 HG SER 18 HG SER 18 8.523 2.143 9.453 146 H ALA 19 H ALA 19 5.618 1.779 6.510 147 HA ALA 19 HA ALA 19 5.688 -0.207 4.378 148 HB1 ALA 19 1HB ALA 19 3.137 1.106 5.077 149 HB2 ALA 19 2HB ALA 19 3.903 0.155 6.350 150 HB3 ALA 19 3HB ALA 19 3.503 -0.598 4.807 151 H TYR 20 H TYR 20 5.145 3.218 4.863 152 HA TYR 20 HA TYR 20 4.006 3.856 2.386 153 HB2 TYR 20 2HB TYR 20 4.032 5.450 4.220 154 HB3 TYR 20 1HB TYR 20 5.789 5.511 4.184 155 HD1 TYR 20 2HD TYR 20 3.078 5.845 1.621 156 HD2 TYR 20 1HD TYR 20 6.585 7.506 3.363 157 HE1 TYR 20 2HE TYR 20 2.974 7.716 0.030 158 HE2 TYR 20 1HE TYR 20 6.491 9.382 1.777 159 HH TYR 20 HH TYR 20 4.179 10.437 0.307 160 H TYR 21 H TYR 21 7.374 3.503 3.374 161 HA TYR 21 HA TYR 21 8.573 4.508 1.044 162 HB2 TYR 21 2HB TYR 21 9.466 2.639 3.210 163 HB3 TYR 21 1HB TYR 21 10.480 2.882 1.792 164 HD1 TYR 21 2HD TYR 21 8.391 5.292 3.730 165 HD2 TYR 21 1HD TYR 21 12.295 4.152 2.481 166 HE1 TYR 21 2HE TYR 21 9.306 7.337 4.743 167 HE2 TYR 21 1HE TYR 21 13.221 6.193 3.492 168 HH TYR 21 HH TYR 21 12.577 7.805 5.309 169 H LEU 22 H LEU 22 7.061 1.456 1.725 170 HA LEU 22 HA LEU 22 8.133 0.263 -0.716 171 HB2 LEU 22 2HB LEU 22 6.247 -0.989 1.273 172 HB3 LEU 22 1HB LEU 22 7.195 -1.806 0.045 173 HG LEU 22 HG LEU 22 8.430 -0.324 2.362 174 HD11 LEU 22 1HD1 LEU 22 7.846 -3.271 2.108 175 HD12 LEU 22 2HD1 LEU 22 7.044 -2.147 3.205 176 HD13 LEU 22 3HD1 LEU 22 8.759 -2.503 3.405 177 HD21 LEU 22 3HD2 LEU 22 9.498 -2.283 0.336 178 HD22 LEU 22 1HD2 LEU 22 10.381 -1.752 1.768 179 HD23 LEU 22 2HD2 LEU 22 9.940 -0.584 0.522 180 H LEU 23 H LEU 23 5.114 1.414 0.671 181 HA LEU 23 HA LEU 23 3.515 0.510 -1.542 182 HB2 LEU 23 2HB LEU 23 2.950 2.327 0.795 183 HB3 LEU 23 1HB LEU 23 1.759 1.973 -0.441 184 HG LEU 23 HG LEU 23 3.026 -0.007 1.451 185 HD11 LEU 23 1HD1 LEU 23 1.142 0.078 2.683 186 HD12 LEU 23 2HD1 LEU 23 0.107 0.348 1.280 187 HD13 LEU 23 3HD1 LEU 23 1.008 1.691 1.983 188 HD21 LEU 23 3HD2 LEU 23 2.712 -1.402 -0.306 189 HD22 LEU 23 1HD2 LEU 23 1.506 -0.358 -1.061 190 HD23 LEU 23 2HD2 LEU 23 1.053 -1.391 0.296 191 H VAL 24 H VAL 24 5.239 3.412 -0.686 192 HA VAL 24 HA VAL 24 3.959 5.275 -2.318 193 HB VAL 24 HB VAL 24 5.655 5.902 -0.660 194 HG11 VAL 24 1HG1 VAL 24 7.982 5.539 -0.977 195 HG12 VAL 24 2HG1 VAL 24 7.724 4.887 -2.596 196 HG13 VAL 24 3HG1 VAL 24 7.183 3.980 -1.183 197 HG21 VAL 24 3HG2 VAL 24 6.948 7.510 -2.132 198 HG22 VAL 24 1HG2 VAL 24 5.191 7.574 -2.263 199 HG23 VAL 24 2HG2 VAL 24 6.138 6.754 -3.504 200 H GLY 25 H GLY 25 6.579 3.007 -3.070 201 HA2 GLY 25 2HA GLY 25 6.975 3.929 -5.732 202 HA3 GLY 25 1HA GLY 25 7.532 2.398 -5.074 203 H HIS 26 H HIS 26 5.058 1.291 -4.352 204 HA HIS 26 HA HIS 26 4.225 0.247 -6.860 205 HB2 HIS 26 2HB HIS 26 4.132 -0.677 -4.313 206 HB3 HIS 26 1HB HIS 26 2.458 -0.178 -4.531 207 HD1 HIS 26 1HD HIS 26 4.848 -1.958 -6.904 208 HD2 HIS 26 2HD HIS 26 1.107 -2.431 -5.159 209 HE1 HIS 26 1HE HIS 26 3.917 -4.084 -7.874 210 HE2 HIS 26 2HE HIS 26 1.616 -4.301 -6.871 211 H PHE 27 H PHE 27 3.229 2.952 -5.004 212 HA PHE 27 HA PHE 27 0.609 3.084 -6.276 213 HB2 PHE 27 2HB PHE 27 0.893 3.647 -3.855 214 HB3 PHE 27 1HB PHE 27 1.867 5.031 -4.334 215 HD1 PHE 27 1HD PHE 27 -1.505 3.529 -4.711 216 HD2 PHE 27 2HD PHE 27 0.861 7.064 -4.851 217 HE1 PHE 27 1HE PHE 27 -3.547 4.883 -4.933 218 HE2 PHE 27 2HE PHE 27 -1.176 8.424 -5.072 219 HZ PHE 27 HZ PHE 27 -3.384 7.333 -5.113 220 H ASN 28 H ASN 28 3.604 4.985 -6.091 221 HA ASN 28 HA ASN 28 2.838 7.052 -7.809 222 HB2 ASN 28 2HB ASN 28 5.021 6.609 -6.315 223 HB3 ASN 28 1HB ASN 28 5.671 6.151 -7.886 224 HD21 ASN 28 1HD2 ASN 28 5.678 8.574 -5.850 225 HD22 ASN 28 2HD2 ASN 28 5.674 9.927 -6.923 226 H GLU 29 H GLU 29 4.472 3.979 -8.507 227 HA GLU 29 HA GLU 29 4.864 4.384 -11.249 228 HB2 GLU 29 2HB GLU 29 5.628 2.463 -9.567 229 HB3 GLU 29 1HB GLU 29 4.238 1.643 -10.267 230 HG2 GLU 29 2HG GLU 29 5.356 1.164 -12.117 231 HG3 GLU 29 1HG GLU 29 5.860 2.840 -12.321 232 H GLY 30 H GLY 30 2.048 3.402 -9.435 233 HA2 GLY 30 2HA GLY 30 -0.156 3.709 -10.272 234 HA3 GLY 30 1HA GLY 30 0.475 3.564 -11.906 235 H LYS 31 H LYS 31 1.112 1.388 -9.200 236 HA LYS 31 HA LYS 31 0.239 -0.853 -10.814 237 HB2 LYS 31 2HB LYS 31 2.057 -0.455 -8.642 238 HB3 LYS 31 1HB LYS 31 0.897 -1.694 -8.182 239 HG2 LYS 31 2HG LYS 31 2.254 -1.825 -10.838 240 HG3 LYS 31 1HG LYS 31 3.090 -2.366 -9.382 241 HD2 LYS 31 2HD LYS 31 1.022 -3.786 -8.924 242 HD3 LYS 31 1HD LYS 31 0.548 -3.431 -10.586 243 HE2 LYS 31 2HE LYS 31 3.012 -4.232 -11.087 244 HE3 LYS 31 1HE LYS 31 2.803 -5.080 -9.555 245 HZ1 LYS 31 3HZ LYS 31 2.050 -6.616 -11.067 246 HZ2 LYS 31 1HZ LYS 31 1.367 -5.457 -12.093 247 HZ3 LYS 31 2HZ LYS 31 0.601 -5.856 -10.640 248 H PHE 32 H PHE 32 -0.509 0.314 -7.522 249 HA PHE 32 HA PHE 32 -3.151 -0.963 -7.786 250 HB2 PHE 32 2HB PHE 32 -3.203 -1.268 -5.426 251 HB3 PHE 32 1HB PHE 32 -1.612 -1.798 -5.960 252 HD1 PHE 32 2HD PHE 32 0.311 -0.102 -5.753 253 HD2 PHE 32 1HD PHE 32 -3.410 0.283 -3.721 254 HE1 PHE 32 2HE PHE 32 1.359 1.420 -4.128 255 HE2 PHE 32 1HE PHE 32 -2.368 1.805 -2.093 256 HZ PHE 32 HZ PHE 32 0.019 2.375 -2.297 257 H SER 33 H SER 33 -4.933 0.133 -6.616 258 HA SER 33 HA SER 33 -4.663 3.056 -6.867 259 HB2 SER 33 2HB SER 33 -6.281 1.866 -8.410 260 HB3 SER 33 1HB SER 33 -7.237 1.474 -6.982 261 HG SER 33 HG SER 33 -7.540 3.666 -6.621 262 H LEU 34 H LEU 34 -5.911 4.377 -5.380 263 HA LEU 34 HA LEU 34 -5.521 3.644 -2.694 264 HB2 LEU 34 2HB LEU 34 -6.795 5.901 -4.130 265 HB3 LEU 34 1HB LEU 34 -7.281 5.666 -2.462 266 HG LEU 34 HG LEU 34 -4.420 6.001 -3.364 267 HD11 LEU 34 1HD1 LEU 34 -5.921 8.003 -3.707 268 HD12 LEU 34 2HD1 LEU 34 -4.526 8.252 -2.655 269 HD13 LEU 34 3HD1 LEU 34 -6.129 8.034 -1.955 270 HD21 LEU 34 3HD2 LEU 34 -5.275 4.825 -1.100 271 HD22 LEU 34 1HD2 LEU 34 -5.258 6.511 -0.585 272 HD23 LEU 34 2HD2 LEU 34 -3.788 5.767 -1.212 273 H ILE 35 H ILE 35 -8.361 3.548 -4.776 274 HA ILE 35 HA ILE 35 -10.305 3.026 -2.834 275 HB ILE 35 HB ILE 35 -10.853 3.596 -5.159 276 HG12 ILE 35 2HG1 ILE 35 -12.137 0.950 -4.962 277 HG13 ILE 35 1HG1 ILE 35 -12.231 1.923 -3.498 278 HG21 ILE 35 1HG2 ILE 35 -10.095 0.774 -5.879 279 HG22 ILE 35 2HG2 ILE 35 -9.054 2.170 -6.162 280 HG23 ILE 35 3HG2 ILE 35 -10.622 2.062 -6.962 281 HD11 ILE 35 3HD1 ILE 35 -13.251 3.736 -4.762 282 HD12 ILE 35 1HD1 ILE 35 -14.179 2.245 -4.911 283 HD13 ILE 35 2HD1 ILE 35 -13.142 2.775 -6.236 284 H GLU 36 H GLU 36 -8.041 0.891 -4.469 285 HA GLU 36 HA GLU 36 -9.221 -1.536 -3.542 286 HB2 GLU 36 2HB GLU 36 -6.451 -0.949 -4.600 287 HB3 GLU 36 1HB GLU 36 -7.068 -2.562 -4.273 288 HG2 GLU 36 2HG GLU 36 -8.579 -2.481 -6.032 289 HG3 GLU 36 1HG GLU 36 -8.518 -0.722 -6.130 290 H LEU 37 H LEU 37 -6.512 0.471 -2.459 291 HA LEU 37 HA LEU 37 -5.603 -1.195 -0.398 292 HB2 LEU 37 2HB LEU 37 -4.291 0.674 -1.202 293 HB3 LEU 37 1HB LEU 37 -5.513 1.809 -0.659 294 HG LEU 37 HG LEU 37 -5.054 1.129 1.686 295 HD11 LEU 37 1HD1 LEU 37 -2.709 -0.357 0.517 296 HD12 LEU 37 2HD1 LEU 37 -4.177 -1.125 1.124 297 HD13 LEU 37 3HD1 LEU 37 -3.141 -0.210 2.221 298 HD21 LEU 37 3HD2 LEU 37 -3.652 2.856 0.075 299 HD22 LEU 37 1HD2 LEU 37 -2.376 1.895 0.825 300 HD23 LEU 37 2HD2 LEU 37 -3.537 2.762 1.832 301 H ILE 38 H ILE 38 -8.021 1.397 -0.383 302 HA ILE 38 HA ILE 38 -8.551 1.259 2.403 303 HB ILE 38 HB ILE 38 -10.404 2.266 0.242 304 HG12 ILE 38 2HG1 ILE 38 -8.556 4.001 1.852 305 HG13 ILE 38 1HG1 ILE 38 -7.980 3.219 0.384 306 HG21 ILE 38 1HG2 ILE 38 -10.305 2.561 3.217 307 HG22 ILE 38 2HG2 ILE 38 -11.671 2.150 2.180 308 HG23 ILE 38 3HG2 ILE 38 -11.058 3.804 2.217 309 HD11 ILE 38 3HD1 ILE 38 -8.934 5.634 0.303 310 HD12 ILE 38 1HD1 ILE 38 -10.494 4.812 0.300 311 HD13 ILE 38 2HD1 ILE 38 -9.323 4.485 -0.976 312 H LYS 39 H LYS 39 -9.754 -0.467 -0.380 313 HA LYS 39 HA LYS 39 -12.058 -1.564 0.904 314 HB2 LYS 39 2HB LYS 39 -10.956 -1.548 -1.709 315 HB3 LYS 39 1HB LYS 39 -11.136 -3.233 -1.241 316 HG2 LYS 39 2HG LYS 39 -13.425 -3.089 -1.087 317 HG3 LYS 39 1HG LYS 39 -13.403 -1.347 -0.810 318 HD2 LYS 39 2HD LYS 39 -14.163 -1.452 -2.983 319 HD3 LYS 39 1HD LYS 39 -12.428 -1.262 -3.231 320 HE2 LYS 39 2HE LYS 39 -12.297 -3.221 -4.277 321 HE3 LYS 39 1HE LYS 39 -13.112 -4.045 -2.948 322 HZ1 LYS 39 3HZ LYS 39 -14.133 -3.840 -5.388 323 HZ2 LYS 39 1HZ LYS 39 -14.804 -2.450 -4.693 324 HZ3 LYS 39 2HZ LYS 39 -15.088 -3.965 -3.996 325 H PHE 40 H PHE 40 -8.702 -2.480 0.636 326 HA PHE 40 HA PHE 40 -9.028 -5.182 1.473 327 HB2 PHE 40 2HB PHE 40 -7.049 -4.349 0.216 328 HB3 PHE 40 1HB PHE 40 -6.562 -3.441 1.643 329 HD1 PHE 40 2HD PHE 40 -7.351 -6.903 0.532 330 HD2 PHE 40 1HD PHE 40 -5.149 -4.413 3.189 331 HE1 PHE 40 2HE PHE 40 -6.133 -8.873 1.362 332 HE2 PHE 40 1HE PHE 40 -3.926 -6.378 4.024 333 HZ PHE 40 HZ PHE 40 -4.418 -8.611 3.110 334 H ALA 41 H ALA 41 -8.144 -2.182 3.143 335 HA ALA 41 HA ALA 41 -7.752 -3.387 5.681 336 HB1 ALA 41 1HB ALA 41 -8.586 -0.560 5.612 337 HB2 ALA 41 2HB ALA 41 -7.157 -0.969 4.662 338 HB3 ALA 41 3HB ALA 41 -7.197 -1.318 6.391 339 H LYS 42 H LYS 42 -10.523 -1.851 4.121 340 HA LYS 42 HA LYS 42 -12.236 -1.732 6.328 341 HB2 LYS 42 2HB LYS 42 -12.408 -1.062 3.664 342 HB3 LYS 42 1HB LYS 42 -13.563 -2.382 3.794 343 HG2 LYS 42 2HG LYS 42 -14.723 -0.329 4.140 344 HG3 LYS 42 1HG LYS 42 -14.637 -1.177 5.684 345 HD2 LYS 42 2HD LYS 42 -12.629 0.221 6.234 346 HD3 LYS 42 1HD LYS 42 -12.960 1.157 4.776 347 HE2 LYS 42 2HE LYS 42 -14.010 2.403 6.422 348 HE3 LYS 42 1HE LYS 42 -15.330 1.428 5.777 349 HZ1 LYS 42 3HZ LYS 42 -15.519 0.267 7.680 350 HZ2 LYS 42 1HZ LYS 42 -14.790 1.628 8.367 351 HZ3 LYS 42 2HZ LYS 42 -13.857 0.267 7.997 352 H SER 43 H SER 43 -11.512 -4.363 4.107 353 HA SER 43 HA SER 43 -13.563 -6.095 5.091 354 HB2 SER 43 2HB SER 43 -12.038 -7.848 3.871 355 HB3 SER 43 1HB SER 43 -12.930 -6.656 2.928 356 HG SER 43 HG SER 43 -10.687 -6.857 2.342 357 H ARG 44 H ARG 44 -10.295 -5.373 6.007 358 HA ARG 44 HA ARG 44 -10.071 -7.732 7.688 359 HB2 ARG 44 2HB ARG 44 -8.181 -6.531 6.323 360 HB3 ARG 44 1HB ARG 44 -8.102 -5.481 7.731 361 HG2 ARG 44 2HG ARG 44 -6.579 -7.007 8.391 362 HG3 ARG 44 1HG ARG 44 -8.021 -7.842 8.971 363 HD2 ARG 44 2HD ARG 44 -7.817 -8.631 6.327 364 HD3 ARG 44 1HD ARG 44 -6.144 -8.591 6.882 365 HE ARG 44 HE ARG 44 -7.412 -9.933 8.855 366 HH11 ARG 44 1HH1 ARG 44 -7.321 -10.324 5.388 367 HH12 ARG 44 2HH1 ARG 44 -7.552 -12.039 5.450 368 HH21 ARG 44 1HH2 ARG 44 -7.716 -12.188 8.937 369 HH22 ARG 44 2HH2 ARG 44 -7.778 -13.098 7.465 370 H GLU 45 H GLU 45 -11.408 -4.666 7.974 371 HA GLU 45 HA GLU 45 -12.242 -3.483 9.725 372 HB2 GLU 45 2HB GLU 45 -11.938 -6.218 10.823 373 HB3 GLU 45 1HB GLU 45 -12.122 -4.927 12.001 374 HG2 GLU 45 2HG GLU 45 -14.189 -4.221 10.847 375 HG3 GLU 45 1HG GLU 45 -14.017 -5.603 9.765 376 H THR 46 H THR 46 -9.942 -2.528 9.170 377 HA THR 46 HA THR 46 -8.832 -1.682 11.655 378 HB THR 46 HB THR 46 -7.564 -3.684 11.656 379 HG1 THR 46 1HG THR 46 -5.398 -2.818 11.135 380 HG21 THR 46 3HG2 THR 46 -6.034 -3.841 9.387 381 HG22 THR 46 1HG2 THR 46 -7.591 -3.309 8.750 382 HG23 THR 46 2HG2 THR 46 -7.487 -4.791 9.701 383 H PHE 47 H PHE 47 -8.324 0.383 11.377 384 HA PHE 47 HA PHE 47 -7.814 1.360 8.664 385 HB2 PHE 47 2HB PHE 47 -8.166 3.625 9.753 386 HB3 PHE 47 1HB PHE 47 -9.569 2.563 9.721 387 HD1 PHE 47 1HD PHE 47 -6.932 3.990 11.851 388 HD2 PHE 47 2HD PHE 47 -10.548 1.748 11.728 389 HE1 PHE 47 1HE PHE 47 -7.159 4.229 14.290 390 HE2 PHE 47 2HE PHE 47 -10.782 1.985 14.166 391 HZ PHE 47 HZ PHE 47 -9.086 3.227 15.450 392 H ILE 48 H ILE 48 -5.780 -0.057 10.200 393 HA ILE 48 HA ILE 48 -3.776 2.097 10.391 394 HB ILE 48 HB ILE 48 -3.723 -0.471 11.977 395 HG12 ILE 48 2HG1 ILE 48 -4.233 2.235 13.171 396 HG13 ILE 48 1HG1 ILE 48 -5.569 1.306 12.500 397 HG21 ILE 48 1HG2 ILE 48 -2.022 2.010 11.998 398 HG22 ILE 48 2HG2 ILE 48 -1.523 0.356 11.648 399 HG23 ILE 48 3HG2 ILE 48 -1.997 0.805 13.286 400 HD11 ILE 48 3HD1 ILE 48 -4.971 -0.555 14.016 401 HD12 ILE 48 1HD1 ILE 48 -5.446 0.922 14.857 402 HD13 ILE 48 2HD1 ILE 48 -3.741 0.483 14.740 403 H ILE 49 H ILE 49 -3.162 1.809 8.222 404 HA ILE 49 HA ILE 49 -2.396 -0.738 7.181 405 HB ILE 49 HB ILE 49 -1.622 1.975 6.111 406 HG12 ILE 49 2HG1 ILE 49 -4.030 0.330 5.321 407 HG13 ILE 49 1HG1 ILE 49 -4.109 1.645 6.488 408 HG21 ILE 49 1HG2 ILE 49 -2.132 -0.310 4.323 409 HG22 ILE 49 2HG2 ILE 49 -0.692 -0.427 5.334 410 HG23 ILE 49 3HG2 ILE 49 -0.895 0.944 4.242 411 HD11 ILE 49 3HD1 ILE 49 -4.020 3.223 4.903 412 HD12 ILE 49 1HD1 ILE 49 -4.559 1.917 3.845 413 HD13 ILE 49 2HD1 ILE 49 -2.846 2.332 3.933 414 H ASP 50 H ASP 50 -0.808 -1.702 8.368 415 HA ASP 50 HA ASP 50 1.695 -0.211 8.767 416 HB2 ASP 50 2HB ASP 50 0.376 -2.458 10.221 417 HB3 ASP 50 1HB ASP 50 2.135 -2.379 10.236 418 H ASP 51 H ASP 51 3.588 -2.030 8.920 419 HA ASP 51 HA ASP 51 4.170 -2.717 6.280 420 HB2 ASP 51 2HB ASP 51 5.827 -2.446 8.151 421 HB3 ASP 51 1HB ASP 51 5.336 -4.032 8.739 422 H GLU 52 H GLU 52 2.519 -4.495 8.789 423 HA GLU 52 HA GLU 52 2.669 -7.054 7.564 424 HB2 GLU 52 2HB GLU 52 2.040 -6.369 10.012 425 HB3 GLU 52 1HB GLU 52 0.409 -6.257 9.363 426 HG2 GLU 52 2HG GLU 52 0.963 -8.655 8.442 427 HG3 GLU 52 1HG GLU 52 2.140 -8.641 9.755 428 H ILE 53 H ILE 53 0.233 -4.480 7.539 429 HA ILE 53 HA ILE 53 -1.618 -5.916 5.913 430 HB ILE 53 HB ILE 53 -1.465 -2.923 6.260 431 HG12 ILE 53 2HG1 ILE 53 -1.471 -3.997 8.458 432 HG13 ILE 53 1HG1 ILE 53 -3.023 -3.223 8.148 433 HG21 ILE 53 1HG2 ILE 53 -2.979 -3.425 4.539 434 HG22 ILE 53 2HG2 ILE 53 -3.979 -3.198 5.974 435 HG23 ILE 53 3HG2 ILE 53 -3.621 -4.825 5.397 436 HD11 ILE 53 3HD1 ILE 53 -2.528 -6.151 7.700 437 HD12 ILE 53 1HD1 ILE 53 -4.074 -5.303 7.741 438 HD13 ILE 53 2HD1 ILE 53 -3.127 -5.483 9.218 439 H ALA 54 H ALA 54 1.004 -3.667 5.280 440 HA ALA 54 HA ALA 54 0.389 -3.181 2.555 441 HB1 ALA 54 1HB ALA 54 3.202 -3.069 3.524 442 HB2 ALA 54 2HB ALA 54 2.021 -1.960 4.219 443 HB3 ALA 54 3HB ALA 54 2.321 -1.953 2.482 444 H ASN 55 H ASN 55 2.485 -5.523 4.184 445 HA ASN 55 HA ASN 55 3.589 -6.646 1.837 446 HB2 ASN 55 2HB ASN 55 4.204 -6.885 4.427 447 HB3 ASN 55 1HB ASN 55 3.239 -8.349 4.255 448 HD21 ASN 55 1HD2 ASN 55 6.134 -7.912 4.709 449 HD22 ASN 55 2HD2 ASN 55 6.927 -8.806 3.462 450 H GLU 56 H GLU 56 0.887 -7.673 3.909 451 HA GLU 56 HA GLU 56 0.202 -9.950 2.389 452 HB2 GLU 56 2HB GLU 56 -0.844 -8.521 4.676 453 HB3 GLU 56 1HB GLU 56 -2.149 -9.030 3.614 454 HG2 GLU 56 2HG GLU 56 -1.425 -11.320 3.743 455 HG3 GLU 56 1HG GLU 56 -0.009 -10.854 4.686 456 H PHE 57 H PHE 57 -0.738 -6.573 2.186 457 HA PHE 57 HA PHE 57 -2.917 -6.826 0.448 458 HB2 PHE 57 2HB PHE 57 -2.377 -4.739 1.624 459 HB3 PHE 57 1HB PHE 57 -0.919 -4.562 0.654 460 HD1 PHE 57 1HD PHE 57 -4.557 -5.169 0.057 461 HD2 PHE 57 2HD PHE 57 -1.046 -3.028 -1.035 462 HE1 PHE 57 1HE PHE 57 -5.842 -3.934 -1.641 463 HE2 PHE 57 2HE PHE 57 -2.323 -1.788 -2.732 464 HZ PHE 57 HZ PHE 57 -4.725 -2.241 -3.038 465 H LEU 58 H LEU 58 0.543 -6.469 -0.223 466 HA LEU 58 HA LEU 58 0.277 -6.355 -3.041 467 HB2 LEU 58 2HB LEU 58 2.631 -7.176 -1.338 468 HB3 LEU 58 1HB LEU 58 2.702 -6.858 -3.062 469 HG LEU 58 HG LEU 58 1.996 -4.836 -0.935 470 HD11 LEU 58 1HD1 LEU 58 4.424 -5.706 -1.208 471 HD12 LEU 58 2HD1 LEU 58 4.128 -3.970 -1.127 472 HD13 LEU 58 3HD1 LEU 58 4.416 -4.744 -2.686 473 HD21 LEU 58 3HD2 LEU 58 1.865 -4.814 -3.889 474 HD22 LEU 58 1HD2 LEU 58 2.526 -3.377 -3.110 475 HD23 LEU 58 2HD2 LEU 58 0.903 -3.934 -2.702 476 H LYS 59 H LYS 59 0.613 -8.983 -0.746 477 HA LYS 59 HA LYS 59 1.153 -11.014 -2.663 478 HB2 LYS 59 2HB LYS 59 0.170 -11.072 0.185 479 HB3 LYS 59 1HB LYS 59 0.374 -12.542 -0.761 480 HG2 LYS 59 2HG LYS 59 2.780 -11.512 -1.159 481 HG3 LYS 59 1HG LYS 59 2.412 -10.708 0.368 482 HD2 LYS 59 2HD LYS 59 1.705 -13.114 1.119 483 HD3 LYS 59 1HD LYS 59 2.741 -13.618 -0.220 484 HE2 LYS 59 2HE LYS 59 4.242 -11.708 1.111 485 HE3 LYS 59 1HE LYS 59 3.452 -12.607 2.407 486 HZ1 LYS 59 3HZ LYS 59 4.689 -14.135 0.242 487 HZ2 LYS 59 1HZ LYS 59 4.554 -14.507 1.887 488 HZ3 LYS 59 2HZ LYS 59 5.715 -13.396 1.364 489 H SER 60 H SER 60 -1.776 -9.671 -1.265 490 HA SER 60 HA SER 60 -3.556 -11.652 -2.233 491 HB2 SER 60 2HB SER 60 -5.324 -10.000 -1.746 492 HB3 SER 60 1HB SER 60 -4.177 -10.130 -0.413 493 HG SER 60 HG SER 60 -4.554 -7.964 -0.835 494 H ILE 61 H ILE 61 -2.558 -8.491 -3.501 495 HA ILE 61 HA ILE 61 -4.197 -8.667 -5.834 496 HB ILE 61 HB ILE 61 -2.901 -6.727 -6.646 497 HG12 ILE 61 2HG1 ILE 61 -1.369 -6.981 -4.048 498 HG13 ILE 61 1HG1 ILE 61 -0.729 -7.429 -5.626 499 HG21 ILE 61 1HG2 ILE 61 -3.693 -5.165 -5.014 500 HG22 ILE 61 2HG2 ILE 61 -3.701 -6.404 -3.759 501 HG23 ILE 61 3HG2 ILE 61 -4.842 -6.500 -5.100 502 HD11 ILE 61 3HD1 ILE 61 -0.089 -5.345 -5.979 503 HD12 ILE 61 1HD1 ILE 61 -0.667 -4.917 -4.369 504 HD13 ILE 61 2HD1 ILE 61 -1.742 -4.770 -5.759 505 H GLY 62 H GLY 62 -0.928 -9.603 -5.020 506 HA2 GLY 62 2HA GLY 62 0.178 -11.351 -6.218 507 HA3 GLY 62 1HA GLY 62 -0.712 -10.880 -7.659 508 H ALA 63 H ALA 63 1.118 -8.825 -5.429 509 HA ALA 63 HA ALA 63 2.567 -7.704 -7.679 510 HB1 ALA 63 1HB ALA 63 1.573 -6.582 -5.421 511 HB2 ALA 63 2HB ALA 63 2.844 -5.868 -6.413 512 HB3 ALA 63 3HB ALA 63 3.267 -6.796 -4.975 513 H GLU 64 H GLU 64 4.576 -8.225 -8.248 514 HA GLU 64 HA GLU 64 6.237 -9.711 -6.322 515 HB2 GLU 64 2HB GLU 64 5.180 -10.892 -8.474 516 HB3 GLU 64 1HB GLU 64 6.604 -10.196 -9.234 517 HG2 GLU 64 2HG GLU 64 7.083 -11.626 -6.710 518 HG3 GLU 64 1HG GLU 64 6.540 -12.618 -8.063 519 H VAL 65 H VAL 65 8.252 -8.973 -6.018 520 HA VAL 65 HA VAL 65 9.250 -6.905 -7.867 521 HB VAL 65 HB VAL 65 10.503 -6.003 -5.857 522 HG11 VAL 65 1HG1 VAL 65 8.192 -5.109 -4.863 523 HG12 VAL 65 2HG1 VAL 65 7.594 -5.816 -6.364 524 HG13 VAL 65 3HG1 VAL 65 8.838 -4.567 -6.411 525 HG21 VAL 65 3HG2 VAL 65 9.734 -8.266 -4.613 526 HG22 VAL 65 1HG2 VAL 65 8.474 -7.162 -4.060 527 HG23 VAL 65 2HG2 VAL 65 10.172 -6.783 -3.765 528 H GLU 66 H GLU 66 11.568 -6.744 -8.068 529 HA GLU 66 HA GLU 66 12.847 -9.367 -7.846 530 HB2 GLU 66 2HB GLU 66 12.734 -7.729 -9.962 531 HB3 GLU 66 1HB GLU 66 14.201 -7.107 -9.220 532 HG2 GLU 66 2HG GLU 66 15.400 -8.943 -9.725 533 HG3 GLU 66 1HG GLU 66 14.036 -10.035 -9.476 534 H LEU 67 H LEU 67 13.128 -6.067 -6.730 535 HA LEU 67 HA LEU 67 15.301 -6.920 -4.943 536 HB2 LEU 67 2HB LEU 67 15.541 -5.061 -7.017 537 HB3 LEU 67 1HB LEU 67 15.421 -4.092 -5.561 538 HG LEU 67 HG LEU 67 17.755 -4.600 -6.217 539 HD11 LEU 67 1HD1 LEU 67 18.316 -5.704 -3.899 540 HD12 LEU 67 2HD1 LEU 67 16.603 -5.409 -3.595 541 HD13 LEU 67 3HD1 LEU 67 17.672 -4.064 -3.995 542 HD21 LEU 67 3HD2 LEU 67 18.569 -6.686 -6.497 543 HD22 LEU 67 1HD2 LEU 67 16.883 -7.059 -6.856 544 HD23 LEU 67 2HD2 LEU 67 17.535 -7.376 -5.247 545 HA PRO 68 HA PRO 68 11.695 -5.442 -2.430 546 HB2 PRO 68 2HB PRO 68 13.217 -7.078 -0.468 547 HB3 PRO 68 1HB PRO 68 11.484 -7.057 -0.813 548 HG2 PRO 68 2HG PRO 68 13.012 -9.069 -1.656 549 HG3 PRO 68 1HG PRO 68 11.699 -8.434 -2.666 550 HD2 PRO 68 2HD PRO 68 14.649 -7.997 -2.889 551 HD3 PRO 68 1HD PRO 68 13.437 -8.198 -4.171 552 H GLN 69 H GLN 69 15.156 -5.507 -1.830 553 HA GLN 69 HA GLN 69 15.262 -3.857 0.424 554 HB2 GLN 69 2HB GLN 69 17.207 -4.397 -1.806 555 HB3 GLN 69 1HB GLN 69 17.592 -3.268 -0.515 556 HG2 GLN 69 2HG GLN 69 16.800 -5.384 0.940 557 HG3 GLN 69 1HG GLN 69 17.439 -6.205 -0.483 558 HE21 GLN 69 1HE2 GLN 69 18.390 -3.325 1.363 559 HE22 GLN 69 2HE2 GLN 69 20.026 -3.816 1.616 560 H GLU 70 H GLU 70 16.436 -1.623 0.279 561 HA GLU 70 HA GLU 70 15.152 -0.001 -1.815 562 HB2 GLU 70 2HB GLU 70 14.806 1.771 -0.083 563 HB3 GLU 70 1HB GLU 70 13.836 0.326 0.161 564 HG2 GLU 70 2HG GLU 70 14.808 -0.150 2.116 565 HG3 GLU 70 1HG GLU 70 16.416 0.285 1.537 566 H ILE 71 H ILE 71 17.777 -0.945 -1.941 567 HA ILE 71 HA ILE 71 19.738 0.759 -0.915 568 HB ILE 71 HB ILE 71 20.251 -1.402 -1.970 569 HG12 ILE 71 2HG1 ILE 71 22.207 -0.576 -3.381 570 HG13 ILE 71 1HG1 ILE 71 21.598 1.051 -3.100 571 HG21 ILE 71 1HG2 ILE 71 18.785 -1.489 -3.816 572 HG22 ILE 71 2HG2 ILE 71 20.412 -1.431 -4.495 573 HG23 ILE 71 3HG2 ILE 71 19.408 0.021 -4.481 574 HD11 ILE 71 3HD1 ILE 71 23.429 0.351 -1.577 575 HD12 ILE 71 1HD1 ILE 71 22.341 -0.862 -0.905 576 HD13 ILE 71 2HD1 ILE 71 21.954 0.852 -0.753 577 H LYS 72 H LYS 72 20.705 2.618 -1.643 578 HA LYS 72 HA LYS 72 20.877 4.644 -2.662 579 HB2 LYS 72 2HB LYS 72 21.045 2.849 -4.654 580 HB3 LYS 72 1HB LYS 72 19.594 3.698 -5.165 581 HG2 LYS 72 2HG LYS 72 21.343 4.791 -6.257 582 HG3 LYS 72 1HG LYS 72 20.945 5.838 -4.894 583 HD2 LYS 72 2HD LYS 72 23.197 5.794 -4.617 584 HD3 LYS 72 1HD LYS 72 22.808 4.320 -3.725 585 HE2 LYS 72 2HE LYS 72 24.612 3.801 -5.184 586 HE3 LYS 72 1HE LYS 72 23.164 3.049 -5.857 587 HZ1 LYS 72 3HZ LYS 72 24.842 4.517 -7.288 588 HZ2 LYS 72 1HZ LYS 72 23.772 5.733 -6.797 589 HZ3 LYS 72 2HZ LYS 72 23.195 4.392 -7.650 Start of MODEL 8 1 H MET 1 H MET 1 5.549 17.449 -1.267 2 HA MET 1 HA MET 1 3.529 17.699 -0.233 3 HB2 MET 1 2HB MET 1 1.952 17.350 -2.095 4 HB3 MET 1 1HB MET 1 3.483 18.013 -2.648 5 HG2 MET 1 2HG MET 1 3.357 15.093 -2.704 6 HG3 MET 1 1HG MET 1 2.189 15.891 -3.755 7 HE1 MET 1 2HE MET 1 4.842 13.981 -4.822 8 HE2 MET 1 3HE MET 1 5.496 14.525 -3.278 9 HE3 MET 1 1HE MET 1 6.339 14.913 -4.776 10 H ASP 2 H ASP 2 4.197 14.368 -1.049 11 HA ASP 2 HA ASP 2 3.329 12.389 -0.334 12 HB2 ASP 2 2HB ASP 2 2.371 13.952 2.067 13 HB3 ASP 2 1HB ASP 2 2.757 12.235 1.990 14 H GLU 3 H GLU 3 1.762 12.627 -2.120 15 HA GLU 3 HA GLU 3 -0.912 13.485 -1.493 16 HB2 GLU 3 2HB GLU 3 0.502 12.424 -3.880 17 HB3 GLU 3 1HB GLU 3 -1.238 12.176 -3.813 18 HG2 GLU 3 2HG GLU 3 -1.149 14.771 -3.179 19 HG3 GLU 3 1HG GLU 3 0.317 14.661 -4.154 20 H PHE 4 H PHE 4 0.843 10.468 -1.579 21 HA PHE 4 HA PHE 4 -1.317 8.682 -1.635 22 HB2 PHE 4 2HB PHE 4 1.039 8.012 -1.974 23 HB3 PHE 4 1HB PHE 4 1.360 8.324 -0.271 24 HD1 PHE 4 2HD PHE 4 -1.391 6.553 -2.064 25 HD2 PHE 4 1HD PHE 4 1.714 6.351 0.837 26 HE1 PHE 4 2HE PHE 4 -2.053 4.246 -1.522 27 HE2 PHE 4 1HE PHE 4 1.060 4.042 1.385 28 HZ PHE 4 HZ PHE 4 -0.827 2.988 0.205 29 H VAL 5 H VAL 5 0.611 9.631 1.216 30 HA VAL 5 HA VAL 5 -1.118 8.531 3.118 31 HB VAL 5 HB VAL 5 1.191 9.189 3.635 32 HG11 VAL 5 1HG1 VAL 5 0.297 12.045 3.802 33 HG12 VAL 5 2HG1 VAL 5 0.960 11.380 2.310 34 HG13 VAL 5 3HG1 VAL 5 1.935 11.392 3.779 35 HG21 VAL 5 3HG2 VAL 5 0.738 9.480 5.824 36 HG22 VAL 5 1HG2 VAL 5 -0.932 9.256 5.303 37 HG23 VAL 5 2HG2 VAL 5 -0.291 10.884 5.533 38 H LYS 6 H LYS 6 -1.036 11.738 1.649 39 HA LYS 6 HA LYS 6 -2.894 13.009 3.308 40 HB2 LYS 6 2HB LYS 6 -1.433 14.131 1.618 41 HB3 LYS 6 1HB LYS 6 -2.483 13.500 0.355 42 HG2 LYS 6 2HG LYS 6 -4.230 14.895 0.920 43 HG3 LYS 6 1HG LYS 6 -3.642 15.131 2.568 44 HD2 LYS 6 2HD LYS 6 -1.626 16.286 1.435 45 HD3 LYS 6 1HD LYS 6 -2.676 16.380 0.020 46 HE2 LYS 6 2HE LYS 6 -3.383 17.434 2.756 47 HE3 LYS 6 1HE LYS 6 -2.729 18.414 1.446 48 HZ1 LYS 6 3HZ LYS 6 -5.080 16.829 0.805 49 HZ2 LYS 6 1HZ LYS 6 -4.679 18.408 0.347 50 HZ3 LYS 6 2HZ LYS 6 -5.326 18.111 1.881 51 H GLY 7 H GLY 7 -3.394 11.300 0.223 52 HA2 GLY 7 2HA GLY 7 -6.173 11.649 0.087 53 HA3 GLY 7 1HA GLY 7 -5.276 10.359 -0.695 54 H LEU 8 H LEU 8 -4.242 9.282 1.811 55 HA LEU 8 HA LEU 8 -6.446 7.566 2.434 56 HB2 LEU 8 2HB LEU 8 -3.691 7.788 3.647 57 HB3 LEU 8 1HB LEU 8 -4.849 6.531 4.040 58 HG LEU 8 HG LEU 8 -3.775 6.982 1.258 59 HD11 LEU 8 1HD1 LEU 8 -2.520 4.795 1.874 60 HD12 LEU 8 2HD1 LEU 8 -2.730 5.353 3.535 61 HD13 LEU 8 3HD1 LEU 8 -1.855 6.350 2.372 62 HD21 LEU 8 3HD2 LEU 8 -4.803 4.370 2.166 63 HD22 LEU 8 1HD2 LEU 8 -4.980 5.185 0.612 64 HD23 LEU 8 2HD2 LEU 8 -5.998 5.654 1.974 65 H MET 9 H MET 9 -4.824 10.250 4.017 66 HA MET 9 HA MET 9 -6.070 9.949 6.546 67 HB2 MET 9 2HB MET 9 -3.985 11.330 5.919 68 HB3 MET 9 1HB MET 9 -5.122 12.576 5.427 69 HG2 MET 9 2HG MET 9 -4.401 13.051 7.644 70 HG3 MET 9 1HG MET 9 -6.084 12.527 7.712 71 HE1 MET 9 3HE MET 9 -3.199 9.594 7.350 72 HE2 MET 9 1HE MET 9 -2.417 10.052 8.864 73 HE3 MET 9 2HE MET 9 -2.562 11.225 7.555 74 H LYS 10 H LYS 10 -7.027 11.462 3.554 75 HA LYS 10 HA LYS 10 -9.033 13.169 4.492 76 HB2 LYS 10 2HB LYS 10 -8.761 11.675 1.883 77 HB3 LYS 10 1HB LYS 10 -10.024 12.860 2.186 78 HG2 LYS 10 2HG LYS 10 -7.918 14.344 2.852 79 HG3 LYS 10 1HG LYS 10 -7.129 13.246 1.719 80 HD2 LYS 10 2HD LYS 10 -8.125 14.185 -0.055 81 HD3 LYS 10 1HD LYS 10 -9.692 14.260 0.755 82 HE2 LYS 10 2HE LYS 10 -7.468 16.151 1.454 83 HE3 LYS 10 1HE LYS 10 -8.557 16.469 0.103 84 HZ1 LYS 10 3HZ LYS 10 -9.743 17.484 1.707 85 HZ2 LYS 10 1HZ LYS 10 -9.067 16.574 2.962 86 HZ3 LYS 10 2HZ LYS 10 -10.311 15.923 2.018 87 H ASN 11 H ASN 11 -9.029 9.716 3.892 88 HA ASN 11 HA ASN 11 -11.892 9.516 4.384 89 HB2 ASN 11 2HB ASN 11 -9.779 7.490 3.646 90 HB3 ASN 11 1HB ASN 11 -11.434 7.035 4.044 91 HD21 ASN 11 1HD2 ASN 11 -9.464 7.476 1.554 92 HD22 ASN 11 2HD2 ASN 11 -10.579 8.008 0.346 93 H GLY 12 H GLY 12 -8.848 8.954 5.998 94 HA2 GLY 12 2HA GLY 12 -8.913 9.124 8.448 95 HA3 GLY 12 1HA GLY 12 -10.357 8.121 8.400 96 H TYR 13 H TYR 13 -7.039 7.943 7.095 97 HA TYR 13 HA TYR 13 -6.720 5.357 8.430 98 HB2 TYR 13 2HB TYR 13 -6.377 5.868 5.477 99 HB3 TYR 13 1HB TYR 13 -5.616 4.505 6.290 100 HD1 TYR 13 2HD TYR 13 -8.909 6.050 5.552 101 HD2 TYR 13 1HD TYR 13 -6.817 2.527 6.695 102 HE1 TYR 13 2HE TYR 13 -10.973 4.743 5.274 103 HE2 TYR 13 1HE TYR 13 -8.874 1.209 6.420 104 HH TYR 13 HH TYR 13 -11.268 1.517 6.385 105 H LEU 14 H LEU 14 -4.658 4.904 9.090 106 HA LEU 14 HA LEU 14 -2.650 7.000 8.584 107 HB2 LEU 14 2HB LEU 14 -2.647 5.179 10.972 108 HB3 LEU 14 1HB LEU 14 -1.797 6.698 10.759 109 HG LEU 14 HG LEU 14 -4.799 6.521 10.926 110 HD11 LEU 14 1HD1 LEU 14 -4.233 5.749 13.024 111 HD12 LEU 14 2HD1 LEU 14 -4.289 7.493 13.281 112 HD13 LEU 14 3HD1 LEU 14 -2.736 6.680 13.079 113 HD21 LEU 14 3HD2 LEU 14 -2.935 8.841 11.396 114 HD22 LEU 14 1HD2 LEU 14 -4.696 8.877 11.328 115 HD23 LEU 14 2HD2 LEU 14 -3.765 8.529 9.872 116 H ILE 15 H ILE 15 -0.562 6.410 8.078 117 HA ILE 15 HA ILE 15 -0.088 3.533 7.653 118 HB ILE 15 HB ILE 15 -0.494 4.654 5.506 119 HG12 ILE 15 2HG1 ILE 15 2.451 4.049 5.664 120 HG13 ILE 15 1HG1 ILE 15 1.248 2.783 5.875 121 HG21 ILE 15 1HG2 ILE 15 0.702 6.821 6.568 122 HG22 ILE 15 2HG2 ILE 15 0.483 6.571 4.835 123 HG23 ILE 15 3HG2 ILE 15 2.025 6.177 5.595 124 HD11 ILE 15 3HD1 ILE 15 2.026 2.809 3.601 125 HD12 ILE 15 1HD1 ILE 15 1.615 4.517 3.446 126 HD13 ILE 15 2HD1 ILE 15 0.339 3.319 3.652 127 H THR 16 H THR 16 2.089 2.823 7.816 128 HA THR 16 HA THR 16 3.672 4.458 9.648 129 HB THR 16 HB THR 16 5.068 2.169 9.549 130 HG1 THR 16 1HG THR 16 2.384 1.326 9.108 131 HG21 THR 16 3HG2 THR 16 4.447 2.543 11.678 132 HG22 THR 16 1HG2 THR 16 3.114 1.443 11.321 133 HG23 THR 16 2HG2 THR 16 2.874 3.187 11.204 134 HA PRO 17 HA PRO 17 6.872 5.517 6.819 135 HB2 PRO 17 2HB PRO 17 9.160 4.884 8.186 136 HB3 PRO 17 1HB PRO 17 8.177 6.316 8.520 137 HG2 PRO 17 2HG PRO 17 8.222 3.675 9.928 138 HG3 PRO 17 1HG PRO 17 8.138 5.309 10.613 139 HD2 PRO 17 2HD PRO 17 5.957 3.747 10.393 140 HD3 PRO 17 1HD PRO 17 5.871 5.508 10.184 141 H SER 18 H SER 18 7.340 2.350 8.349 142 HA SER 18 HA SER 18 9.104 1.313 6.405 143 HB2 SER 18 2HB SER 18 7.383 0.127 8.549 144 HB3 SER 18 1HB SER 18 8.102 -0.943 7.345 145 HG SER 18 HG SER 18 10.143 0.143 7.916 146 H ALA 19 H ALA 19 5.630 1.580 6.548 147 HA ALA 19 HA ALA 19 5.228 -0.214 4.304 148 HB1 ALA 19 1HB ALA 19 3.494 1.201 6.233 149 HB2 ALA 19 2HB ALA 19 3.397 -0.446 5.615 150 HB3 ALA 19 3HB ALA 19 2.814 0.899 4.634 151 H TYR 20 H TYR 20 5.170 3.249 4.968 152 HA TYR 20 HA TYR 20 4.134 4.098 2.497 153 HB2 TYR 20 2HB TYR 20 4.270 5.574 4.448 154 HB3 TYR 20 1HB TYR 20 6.029 5.533 4.370 155 HD1 TYR 20 2HD TYR 20 7.162 6.513 2.320 156 HD2 TYR 20 1HD TYR 20 3.045 7.138 3.194 157 HE1 TYR 20 2HE TYR 20 7.144 8.459 0.817 158 HE2 TYR 20 1HE TYR 20 3.017 9.086 1.693 159 HH TYR 20 HH TYR 20 5.598 9.791 -0.454 160 H TYR 21 H TYR 21 7.476 3.628 3.593 161 HA TYR 21 HA TYR 21 8.821 4.567 1.360 162 HB2 TYR 21 2HB TYR 21 9.429 2.728 3.578 163 HB3 TYR 21 1HB TYR 21 10.406 2.483 2.134 164 HD1 TYR 21 1HD TYR 21 11.487 4.647 1.126 165 HD2 TYR 21 2HD TYR 21 10.085 4.319 5.129 166 HE1 TYR 21 1HE TYR 21 12.929 6.528 1.780 167 HE2 TYR 21 2HE TYR 21 11.523 6.200 5.794 168 HH TYR 21 HH TYR 21 14.039 7.293 4.059 169 H LEU 22 H LEU 22 6.981 1.658 1.747 170 HA LEU 22 HA LEU 22 8.039 0.557 -0.754 171 HB2 LEU 22 2HB LEU 22 6.046 -0.727 1.103 172 HB3 LEU 22 1HB LEU 22 6.989 -1.501 -0.158 173 HG LEU 22 HG LEU 22 8.090 -0.348 2.407 174 HD11 LEU 22 1HD1 LEU 22 8.701 -2.950 2.490 175 HD12 LEU 22 2HD1 LEU 22 7.189 -3.039 1.586 176 HD13 LEU 22 3HD1 LEU 22 7.220 -2.286 3.181 177 HD21 LEU 22 3HD2 LEU 22 10.216 -1.137 1.736 178 HD22 LEU 22 1HD2 LEU 22 9.575 -0.224 0.368 179 HD23 LEU 22 2HD2 LEU 22 9.542 -1.987 0.346 180 H LEU 23 H LEU 23 4.880 1.191 0.774 181 HA LEU 23 HA LEU 23 3.315 0.745 -1.496 182 HB2 LEU 23 2HB LEU 23 2.809 2.583 0.845 183 HB3 LEU 23 1HB LEU 23 1.600 2.118 -0.337 184 HG LEU 23 HG LEU 23 2.992 0.295 1.623 185 HD11 LEU 23 1HD1 LEU 23 0.912 1.938 2.104 186 HD12 LEU 23 2HD1 LEU 23 1.139 0.380 2.899 187 HD13 LEU 23 3HD1 LEU 23 0.060 0.514 1.510 188 HD21 LEU 23 3HD2 LEU 23 1.051 -1.227 0.593 189 HD22 LEU 23 1HD2 LEU 23 2.696 -1.207 -0.044 190 HD23 LEU 23 2HD2 LEU 23 1.435 -0.256 -0.829 191 H VAL 24 H VAL 24 5.204 3.510 -0.544 192 HA VAL 24 HA VAL 24 4.009 5.512 -2.068 193 HB VAL 24 HB VAL 24 5.769 5.972 -0.428 194 HG11 VAL 24 1HG1 VAL 24 7.800 5.003 -2.414 195 HG12 VAL 24 2HG1 VAL 24 7.146 3.947 -1.162 196 HG13 VAL 24 3HG1 VAL 24 8.023 5.410 -0.712 197 HG21 VAL 24 3HG2 VAL 24 6.308 6.896 -3.243 198 HG22 VAL 24 1HG2 VAL 24 7.114 7.573 -1.828 199 HG23 VAL 24 2HG2 VAL 24 5.364 7.711 -1.997 200 H GLY 25 H GLY 25 6.531 3.179 -2.975 201 HA2 GLY 25 2HA GLY 25 6.808 4.192 -5.635 202 HA3 GLY 25 1HA GLY 25 7.447 2.672 -5.029 203 H HIS 26 H HIS 26 5.145 1.373 -4.255 204 HA HIS 26 HA HIS 26 4.222 0.328 -6.697 205 HB2 HIS 26 2HB HIS 26 4.177 -0.529 -4.121 206 HB3 HIS 26 1HB HIS 26 2.490 -0.075 -4.338 207 HD1 HIS 26 1HD HIS 26 5.049 -2.079 -6.335 208 HD2 HIS 26 2HD HIS 26 1.040 -2.156 -5.244 209 HE1 HIS 26 1HE HIS 26 4.123 -4.196 -7.328 210 HE2 HIS 26 2HE HIS 26 1.718 -4.265 -6.579 211 H PHE 27 H PHE 27 3.194 3.044 -4.864 212 HA PHE 27 HA PHE 27 0.582 3.124 -6.170 213 HB2 PHE 27 2HB PHE 27 0.739 3.619 -3.743 214 HB3 PHE 27 1HB PHE 27 1.761 5.004 -4.115 215 HD1 PHE 27 2HD PHE 27 -1.606 3.584 -4.793 216 HD2 PHE 27 1HD PHE 27 0.807 7.078 -4.514 217 HE1 PHE 27 2HE PHE 27 -3.612 4.984 -5.052 218 HE2 PHE 27 1HE PHE 27 -1.195 8.486 -4.772 219 HZ PHE 27 HZ PHE 27 -3.407 7.439 -5.041 220 H ASN 28 H ASN 28 3.544 5.053 -5.882 221 HA ASN 28 HA ASN 28 2.797 7.193 -7.503 222 HB2 ASN 28 2HB ASN 28 4.914 6.854 -6.041 223 HB3 ASN 28 1HB ASN 28 5.606 6.127 -7.489 224 HD21 ASN 28 1HD2 ASN 28 6.237 8.616 -6.004 225 HD22 ASN 28 2HD2 ASN 28 6.181 9.873 -7.186 226 H GLU 29 H GLU 29 4.430 4.160 -8.380 227 HA GLU 29 HA GLU 29 4.755 4.704 -11.107 228 HB2 GLU 29 2HB GLU 29 5.725 2.784 -9.687 229 HB3 GLU 29 1HB GLU 29 4.220 1.945 -10.035 230 HG2 GLU 29 2HG GLU 29 5.560 1.145 -11.700 231 HG3 GLU 29 1HG GLU 29 4.810 2.520 -12.510 232 H GLY 30 H GLY 30 1.980 3.648 -9.283 233 HA2 GLY 30 2HA GLY 30 -0.239 3.956 -10.060 234 HA3 GLY 30 1HA GLY 30 0.358 3.892 -11.712 235 H LYS 31 H LYS 31 1.196 1.574 -9.212 236 HA LYS 31 HA LYS 31 0.307 -0.595 -10.877 237 HB2 LYS 31 2HB LYS 31 2.355 -0.545 -9.309 238 HB3 LYS 31 1HB LYS 31 1.203 -0.864 -8.019 239 HG2 LYS 31 2HG LYS 31 2.148 -2.939 -8.703 240 HG3 LYS 31 1HG LYS 31 0.474 -2.895 -9.259 241 HD2 LYS 31 2HD LYS 31 1.797 -1.816 -11.389 242 HD3 LYS 31 1HD LYS 31 2.972 -2.990 -10.795 243 HE2 LYS 31 2HE LYS 31 1.764 -4.717 -11.532 244 HE3 LYS 31 1HE LYS 31 0.270 -4.060 -10.863 245 HZ1 LYS 31 3HZ LYS 31 1.506 -3.226 -13.433 246 HZ2 LYS 31 1HZ LYS 31 0.045 -2.655 -12.799 247 HZ3 LYS 31 2HZ LYS 31 0.186 -4.271 -13.279 248 H PHE 32 H PHE 32 -0.491 0.369 -7.531 249 HA PHE 32 HA PHE 32 -3.107 -0.932 -7.891 250 HB2 PHE 32 2HB PHE 32 -3.186 -1.328 -5.549 251 HB3 PHE 32 1HB PHE 32 -1.568 -1.785 -6.067 252 HD1 PHE 32 1HD PHE 32 0.295 -0.046 -5.751 253 HD2 PHE 32 2HD PHE 32 -3.484 0.167 -3.805 254 HE1 PHE 32 1HE PHE 32 1.258 1.452 -4.052 255 HE2 PHE 32 2HE PHE 32 -2.528 1.665 -2.104 256 HZ PHE 32 HZ PHE 32 -0.154 2.310 -2.227 257 H SER 33 H SER 33 -4.985 0.100 -7.050 258 HA SER 33 HA SER 33 -4.805 3.012 -7.196 259 HB2 SER 33 2HB SER 33 -7.322 1.344 -7.079 260 HB3 SER 33 1HB SER 33 -7.155 3.009 -7.633 261 HG SER 33 HG SER 33 -5.825 2.165 -9.347 262 H LEU 34 H LEU 34 -6.117 4.315 -5.698 263 HA LEU 34 HA LEU 34 -5.459 3.805 -3.025 264 HB2 LEU 34 2HB LEU 34 -7.299 5.734 -4.385 265 HB3 LEU 34 1HB LEU 34 -7.301 5.622 -2.636 266 HG LEU 34 HG LEU 34 -4.925 6.327 -4.359 267 HD11 LEU 34 1HD1 LEU 34 -5.288 8.438 -2.762 268 HD12 LEU 34 2HD1 LEU 34 -6.960 7.899 -2.906 269 HD13 LEU 34 3HD1 LEU 34 -6.034 8.297 -4.352 270 HD21 LEU 34 3HD2 LEU 34 -5.203 5.595 -1.509 271 HD22 LEU 34 1HD2 LEU 34 -4.179 6.984 -1.876 272 HD23 LEU 34 2HD2 LEU 34 -3.830 5.415 -2.602 273 H ILE 35 H ILE 35 -8.523 3.401 -4.766 274 HA ILE 35 HA ILE 35 -10.123 2.654 -2.607 275 HB ILE 35 HB ILE 35 -11.011 3.184 -4.844 276 HG12 ILE 35 2HG1 ILE 35 -12.417 0.840 -4.907 277 HG13 ILE 35 1HG1 ILE 35 -11.769 0.811 -3.271 278 HG21 ILE 35 1HG2 ILE 35 -9.151 1.680 -5.918 279 HG22 ILE 35 2HG2 ILE 35 -10.709 1.896 -6.717 280 HG23 ILE 35 3HG2 ILE 35 -10.388 0.428 -5.792 281 HD11 ILE 35 3HD1 ILE 35 -13.015 3.334 -4.174 282 HD12 ILE 35 1HD1 ILE 35 -13.038 2.553 -2.593 283 HD13 ILE 35 2HD1 ILE 35 -14.081 1.957 -3.885 284 H GLU 36 H GLU 36 -7.828 0.806 -4.496 285 HA GLU 36 HA GLU 36 -8.625 -1.774 -3.684 286 HB2 GLU 36 2HB GLU 36 -5.872 -0.817 -4.491 287 HB3 GLU 36 1HB GLU 36 -6.405 -2.491 -4.436 288 HG2 GLU 36 2HG GLU 36 -7.726 -0.431 -6.172 289 HG3 GLU 36 1HG GLU 36 -6.346 -1.388 -6.706 290 H LEU 37 H LEU 37 -6.142 0.428 -2.408 291 HA LEU 37 HA LEU 37 -5.288 -1.283 -0.329 292 HB2 LEU 37 2HB LEU 37 -3.997 0.651 -1.203 293 HB3 LEU 37 1HB LEU 37 -5.149 1.731 -0.441 294 HG LEU 37 HG LEU 37 -4.514 0.734 1.770 295 HD11 LEU 37 1HD1 LEU 37 -3.414 -1.271 0.342 296 HD12 LEU 37 2HD1 LEU 37 -2.968 -0.882 2.002 297 HD13 LEU 37 3HD1 LEU 37 -1.988 -0.285 0.663 298 HD21 LEU 37 3HD2 LEU 37 -3.491 2.744 1.589 299 HD22 LEU 37 1HD2 LEU 37 -2.769 2.358 0.028 300 HD23 LEU 37 2HD2 LEU 37 -2.045 1.737 1.511 301 H ILE 38 H ILE 38 -7.568 1.443 -0.367 302 HA ILE 38 HA ILE 38 -8.223 1.349 2.370 303 HB ILE 38 HB ILE 38 -9.985 2.293 0.106 304 HG12 ILE 38 2HG1 ILE 38 -8.053 3.903 1.788 305 HG13 ILE 38 1HG1 ILE 38 -7.703 3.336 0.159 306 HG21 ILE 38 1HG2 ILE 38 -10.170 2.414 3.049 307 HG22 ILE 38 2HG2 ILE 38 -11.444 2.387 1.829 308 HG23 ILE 38 3HG2 ILE 38 -10.588 3.888 2.177 309 HD11 ILE 38 3HD1 ILE 38 -9.550 4.658 -0.709 310 HD12 ILE 38 1HD1 ILE 38 -8.403 5.665 0.176 311 HD13 ILE 38 2HD1 ILE 38 -9.932 5.206 0.924 312 H LYS 39 H LYS 39 -9.355 -0.471 -0.382 313 HA LYS 39 HA LYS 39 -11.699 -1.518 0.855 314 HB2 LYS 39 2HB LYS 39 -10.161 -2.049 -1.629 315 HB3 LYS 39 1HB LYS 39 -11.193 -3.346 -1.042 316 HG2 LYS 39 2HG LYS 39 -13.135 -2.084 -1.303 317 HG3 LYS 39 1HG LYS 39 -12.244 -0.562 -1.382 318 HD2 LYS 39 2HD LYS 39 -12.870 -0.970 -3.597 319 HD3 LYS 39 1HD LYS 39 -11.192 -1.515 -3.519 320 HE2 LYS 39 2HE LYS 39 -12.306 -3.215 -4.679 321 HE3 LYS 39 1HE LYS 39 -12.152 -3.830 -3.034 322 HZ1 LYS 39 3HZ LYS 39 -14.579 -2.546 -4.167 323 HZ2 LYS 39 1HZ LYS 39 -14.428 -3.173 -2.601 324 HZ3 LYS 39 2HZ LYS 39 -14.365 -4.208 -3.938 325 H PHE 40 H PHE 40 -8.341 -2.505 0.693 326 HA PHE 40 HA PHE 40 -8.716 -5.139 1.688 327 HB2 PHE 40 2HB PHE 40 -6.689 -4.389 0.454 328 HB3 PHE 40 1HB PHE 40 -6.237 -3.412 1.847 329 HD1 PHE 40 2HD PHE 40 -5.890 -4.627 4.071 330 HD2 PHE 40 1HD PHE 40 -6.028 -6.608 0.308 331 HE1 PHE 40 2HE PHE 40 -4.723 -6.558 5.050 332 HE2 PHE 40 1HE PHE 40 -4.861 -8.544 1.280 333 HZ PHE 40 HZ PHE 40 -4.205 -8.520 3.655 334 H ALA 41 H ALA 41 -7.616 -2.132 3.251 335 HA ALA 41 HA ALA 41 -7.357 -3.154 5.839 336 HB1 ALA 41 1HB ALA 41 -7.823 -0.677 6.475 337 HB2 ALA 41 2HB ALA 41 -7.785 -0.411 4.733 338 HB3 ALA 41 3HB ALA 41 -6.376 -1.083 5.552 339 H LYS 42 H LYS 42 -10.167 -2.028 4.082 340 HA LYS 42 HA LYS 42 -11.938 -1.700 6.227 341 HB2 LYS 42 2HB LYS 42 -12.073 -1.613 3.409 342 HB3 LYS 42 1HB LYS 42 -13.304 -2.756 3.922 343 HG2 LYS 42 2HG LYS 42 -14.196 -1.040 5.464 344 HG3 LYS 42 1HG LYS 42 -13.017 0.103 4.817 345 HD2 LYS 42 2HD LYS 42 -13.993 -0.069 2.617 346 HD3 LYS 42 1HD LYS 42 -15.091 -1.337 3.164 347 HE2 LYS 42 2HE LYS 42 -16.165 0.889 2.996 348 HE3 LYS 42 1HE LYS 42 -16.227 0.204 4.619 349 HZ1 LYS 42 3HZ LYS 42 -15.640 2.512 4.742 350 HZ2 LYS 42 1HZ LYS 42 -14.356 2.301 3.659 351 HZ3 LYS 42 2HZ LYS 42 -14.296 1.590 5.193 352 H SER 43 H SER 43 -11.221 -4.549 4.235 353 HA SER 43 HA SER 43 -13.094 -6.279 5.406 354 HB2 SER 43 2HB SER 43 -12.026 -6.862 3.314 355 HB3 SER 43 1HB SER 43 -10.439 -6.876 4.081 356 HG SER 43 HG SER 43 -12.555 -8.581 4.880 357 H ARG 44 H ARG 44 -9.868 -5.324 6.375 358 HA ARG 44 HA ARG 44 -9.685 -7.326 8.447 359 HB2 ARG 44 2HB ARG 44 -7.953 -5.096 7.474 360 HB3 ARG 44 1HB ARG 44 -7.670 -5.742 9.086 361 HG2 ARG 44 2HG ARG 44 -6.216 -6.859 7.563 362 HG3 ARG 44 1HG ARG 44 -7.458 -8.003 8.078 363 HD2 ARG 44 2HD ARG 44 -8.051 -6.437 5.646 364 HD3 ARG 44 1HD ARG 44 -6.752 -7.621 5.509 365 HE ARG 44 HE ARG 44 -9.564 -8.152 5.785 366 HH11 ARG 44 1HH1 ARG 44 -6.351 -9.432 6.245 367 HH12 ARG 44 2HH1 ARG 44 -6.864 -11.084 6.176 368 HH21 ARG 44 1HH2 ARG 44 -10.242 -10.324 5.693 369 HH22 ARG 44 2HH2 ARG 44 -9.072 -11.591 5.863 370 H GLU 45 H GLU 45 -11.197 -4.319 8.151 371 HA GLU 45 HA GLU 45 -12.261 -2.952 9.620 372 HB2 GLU 45 2HB GLU 45 -11.856 -5.328 11.440 373 HB3 GLU 45 1HB GLU 45 -12.807 -3.915 11.879 374 HG2 GLU 45 2HG GLU 45 -14.250 -4.351 9.903 375 HG3 GLU 45 1HG GLU 45 -13.354 -5.847 9.640 376 H THR 46 H THR 46 -9.587 -2.439 9.235 377 HA THR 46 HA THR 46 -8.895 -1.221 11.800 378 HB THR 46 HB THR 46 -7.587 -3.289 11.752 379 HG1 THR 46 1HG THR 46 -5.842 -1.125 11.159 380 HG21 THR 46 3HG2 THR 46 -6.037 -2.323 9.390 381 HG22 THR 46 1HG2 THR 46 -7.542 -3.206 9.128 382 HG23 THR 46 2HG2 THR 46 -6.220 -3.959 10.022 383 H PHE 47 H PHE 47 -7.999 0.775 11.618 384 HA PHE 47 HA PHE 47 -7.665 1.809 8.889 385 HB2 PHE 47 2HB PHE 47 -8.076 4.022 9.829 386 HB3 PHE 47 1HB PHE 47 -9.377 2.923 10.271 387 HD1 PHE 47 2HD PHE 47 -9.419 1.959 12.586 388 HD2 PHE 47 1HD PHE 47 -6.798 5.118 11.463 389 HE1 PHE 47 2HE PHE 47 -9.089 2.524 14.957 390 HE2 PHE 47 1HE PHE 47 -6.464 5.689 13.831 391 HZ PHE 47 HZ PHE 47 -7.611 4.392 15.583 392 H ILE 48 H ILE 48 -5.556 0.333 9.854 393 HA ILE 48 HA ILE 48 -3.486 2.392 10.044 394 HB ILE 48 HB ILE 48 -3.447 -0.048 11.820 395 HG12 ILE 48 2HG1 ILE 48 -5.238 1.541 12.480 396 HG13 ILE 48 1HG1 ILE 48 -3.956 1.429 13.681 397 HG21 ILE 48 1HG2 ILE 48 -1.713 1.707 12.905 398 HG22 ILE 48 2HG2 ILE 48 -1.554 2.118 11.196 399 HG23 ILE 48 3HG2 ILE 48 -1.256 0.466 11.737 400 HD11 ILE 48 3HD1 ILE 48 -3.646 3.554 11.671 401 HD12 ILE 48 1HD1 ILE 48 -3.336 3.572 13.407 402 HD13 ILE 48 2HD1 ILE 48 -4.985 3.740 12.803 403 H ILE 49 H ILE 49 -2.790 1.983 7.974 404 HA ILE 49 HA ILE 49 -2.260 -0.697 7.062 405 HB ILE 49 HB ILE 49 -1.416 1.891 5.760 406 HG12 ILE 49 2HG1 ILE 49 -3.819 0.404 4.834 407 HG13 ILE 49 1HG1 ILE 49 -3.982 1.345 6.314 408 HG21 ILE 49 1HG2 ILE 49 -1.004 0.685 3.838 409 HG22 ILE 49 2HG2 ILE 49 -2.044 -0.653 4.329 410 HG23 ILE 49 3HG2 ILE 49 -0.467 -0.437 5.088 411 HD11 ILE 49 3HD1 ILE 49 -3.813 3.325 5.233 412 HD12 ILE 49 1HD1 ILE 49 -4.469 2.355 3.915 413 HD13 ILE 49 2HD1 ILE 49 -2.737 2.684 3.991 414 H ASP 50 H ASP 50 -0.582 -1.763 7.898 415 HA ASP 50 HA ASP 50 1.991 -0.341 8.114 416 HB2 ASP 50 2HB ASP 50 0.699 -1.223 10.265 417 HB3 ASP 50 1HB ASP 50 1.468 -2.740 9.807 418 H ASP 51 H ASP 51 3.830 -2.113 8.295 419 HA ASP 51 HA ASP 51 4.146 -3.270 5.812 420 HB2 ASP 51 2HB ASP 51 5.848 -2.876 7.754 421 HB3 ASP 51 1HB ASP 51 5.431 -4.524 8.213 422 H GLU 52 H GLU 52 2.696 -4.637 8.705 423 HA GLU 52 HA GLU 52 2.586 -7.320 7.886 424 HB2 GLU 52 2HB GLU 52 2.082 -6.287 10.195 425 HB3 GLU 52 1HB GLU 52 0.461 -6.019 9.571 426 HG2 GLU 52 2HG GLU 52 0.374 -8.041 10.760 427 HG3 GLU 52 1HG GLU 52 0.383 -8.484 9.054 428 H ILE 53 H ILE 53 0.117 -4.760 7.645 429 HA ILE 53 HA ILE 53 -1.655 -6.390 6.095 430 HB ILE 53 HB ILE 53 -1.727 -3.386 6.366 431 HG12 ILE 53 2HG1 ILE 53 -2.964 -5.493 8.155 432 HG13 ILE 53 1HG1 ILE 53 -1.635 -4.423 8.591 433 HG21 ILE 53 1HG2 ILE 53 -4.194 -4.985 6.182 434 HG22 ILE 53 2HG2 ILE 53 -3.192 -4.949 4.732 435 HG23 ILE 53 3HG2 ILE 53 -3.778 -3.442 5.434 436 HD11 ILE 53 3HD1 ILE 53 -3.082 -2.916 9.296 437 HD12 ILE 53 1HD1 ILE 53 -4.413 -3.987 8.857 438 HD13 ILE 53 2HD1 ILE 53 -3.793 -2.824 7.684 439 H ALA 54 H ALA 54 0.800 -3.987 5.402 440 HA ALA 54 HA ALA 54 0.175 -3.475 2.718 441 HB1 ALA 54 1HB ALA 54 2.805 -3.097 2.674 442 HB2 ALA 54 2HB ALA 54 2.584 -3.171 4.422 443 HB3 ALA 54 3HB ALA 54 1.706 -1.972 3.472 444 H ASN 55 H ASN 55 2.276 -5.924 4.189 445 HA ASN 55 HA ASN 55 3.250 -7.032 1.798 446 HB2 ASN 55 2HB ASN 55 3.851 -7.417 4.383 447 HB3 ASN 55 1HB ASN 55 2.832 -8.829 4.129 448 HD21 ASN 55 1HD2 ASN 55 5.906 -7.541 3.813 449 HD22 ASN 55 2HD2 ASN 55 6.605 -8.777 2.830 450 H GLU 56 H GLU 56 0.498 -7.967 3.845 451 HA GLU 56 HA GLU 56 -0.328 -10.156 2.276 452 HB2 GLU 56 2HB GLU 56 -1.734 -8.403 4.274 453 HB3 GLU 56 1HB GLU 56 -2.589 -9.683 3.424 454 HG2 GLU 56 2HG GLU 56 -0.075 -10.191 4.980 455 HG3 GLU 56 1HG GLU 56 -1.675 -10.229 5.722 456 H PHE 57 H PHE 57 -0.950 -6.722 2.059 457 HA PHE 57 HA PHE 57 -3.157 -6.764 0.333 458 HB2 PHE 57 2HB PHE 57 -2.423 -4.732 1.486 459 HB3 PHE 57 1HB PHE 57 -0.937 -4.718 0.542 460 HD1 PHE 57 1HD PHE 57 -4.625 -4.837 -0.029 461 HD2 PHE 57 2HD PHE 57 -0.851 -3.292 -1.246 462 HE1 PHE 57 1HE PHE 57 -5.741 -3.481 -1.753 463 HE2 PHE 57 2HE PHE 57 -1.960 -1.933 -2.972 464 HZ PHE 57 HZ PHE 57 -4.407 -2.027 -3.228 465 H LEU 58 H LEU 58 0.284 -6.286 -0.491 466 HA LEU 58 HA LEU 58 -0.069 -6.417 -3.272 467 HB2 LEU 58 2HB LEU 58 2.412 -7.207 -1.749 468 HB3 LEU 58 1HB LEU 58 2.320 -6.666 -3.415 469 HG LEU 58 HG LEU 58 1.687 -4.960 -1.005 470 HD11 LEU 58 1HD1 LEU 58 4.101 -5.641 -1.332 471 HD12 LEU 58 2HD1 LEU 58 3.774 -3.907 -1.308 472 HD13 LEU 58 3HD1 LEU 58 4.055 -4.731 -2.842 473 HD21 LEU 58 3HD2 LEU 58 0.414 -4.266 -2.933 474 HD22 LEU 58 1HD2 LEU 58 1.857 -4.309 -3.945 475 HD23 LEU 58 2HD2 LEU 58 1.721 -3.117 -2.652 476 H LYS 59 H LYS 59 0.325 -8.902 -0.850 477 HA LYS 59 HA LYS 59 0.931 -11.025 -2.644 478 HB2 LYS 59 2HB LYS 59 1.300 -10.913 -0.095 479 HB3 LYS 59 1HB LYS 59 -0.390 -11.380 0.034 480 HG2 LYS 59 2HG LYS 59 0.442 -13.272 -1.659 481 HG3 LYS 59 1HG LYS 59 1.958 -12.958 -0.810 482 HD2 LYS 59 2HD LYS 59 1.151 -13.716 1.196 483 HD3 LYS 59 1HD LYS 59 -0.518 -13.300 0.805 484 HE2 LYS 59 2HE LYS 59 -0.917 -15.375 0.123 485 HE3 LYS 59 1HE LYS 59 0.419 -15.292 -1.024 486 HZ1 LYS 59 3HZ LYS 59 1.919 -16.085 0.600 487 HZ2 LYS 59 1HZ LYS 59 0.569 -17.101 0.676 488 HZ3 LYS 59 2HZ LYS 59 0.795 -15.907 1.850 489 H SER 60 H SER 60 -2.047 -9.739 -1.264 490 HA SER 60 HA SER 60 -3.766 -11.791 -2.163 491 HB2 SER 60 2HB SER 60 -4.429 -10.195 -0.421 492 HB3 SER 60 1HB SER 60 -4.387 -8.882 -1.597 493 HG SER 60 HG SER 60 -6.038 -11.168 -1.865 494 H ILE 61 H ILE 61 -2.827 -8.682 -3.589 495 HA ILE 61 HA ILE 61 -4.462 -9.016 -5.914 496 HB ILE 61 HB ILE 61 -3.166 -7.093 -6.820 497 HG12 ILE 61 2HG1 ILE 61 -1.803 -7.051 -4.124 498 HG13 ILE 61 1HG1 ILE 61 -1.050 -7.715 -5.571 499 HG21 ILE 61 1HG2 ILE 61 -3.779 -5.619 -4.651 500 HG22 ILE 61 2HG2 ILE 61 -4.681 -7.093 -4.295 501 HG23 ILE 61 3HG2 ILE 61 -4.976 -6.220 -5.798 502 HD11 ILE 61 3HD1 ILE 61 -1.412 -5.463 -6.640 503 HD12 ILE 61 1HD1 ILE 61 -0.230 -5.524 -5.332 504 HD13 ILE 61 2HD1 ILE 61 -1.843 -4.873 -5.036 505 H GLY 62 H GLY 62 -1.176 -9.824 -5.041 506 HA2 GLY 62 2HA GLY 62 0.101 -11.489 -6.109 507 HA3 GLY 62 1HA GLY 62 -0.932 -11.345 -7.522 508 H ALA 63 H ALA 63 1.151 -9.126 -5.658 509 HA ALA 63 HA ALA 63 2.429 -8.368 -8.205 510 HB1 ALA 63 1HB ALA 63 0.869 -6.679 -6.936 511 HB2 ALA 63 2HB ALA 63 2.372 -6.139 -7.682 512 HB3 ALA 63 3HB ALA 63 2.306 -6.433 -5.944 513 H GLU 64 H GLU 64 4.206 -9.694 -8.010 514 HA GLU 64 HA GLU 64 6.347 -8.744 -6.414 515 HB2 GLU 64 2HB GLU 64 4.947 -10.074 -4.750 516 HB3 GLU 64 1HB GLU 64 5.406 -11.507 -5.660 517 HG2 GLU 64 2HG GLU 64 7.064 -11.584 -4.148 518 HG3 GLU 64 1HG GLU 64 7.831 -10.448 -5.255 519 H VAL 65 H VAL 65 7.875 -8.865 -7.921 520 HA VAL 65 HA VAL 65 7.900 -11.014 -9.861 521 HB VAL 65 HB VAL 65 8.398 -8.713 -10.572 522 HG11 VAL 65 1HG1 VAL 65 9.980 -7.393 -9.667 523 HG12 VAL 65 2HG1 VAL 65 11.114 -8.726 -9.444 524 HG13 VAL 65 3HG1 VAL 65 9.812 -8.472 -8.281 525 HG21 VAL 65 3HG2 VAL 65 10.863 -9.427 -11.459 526 HG22 VAL 65 1HG2 VAL 65 9.345 -9.975 -12.171 527 HG23 VAL 65 2HG2 VAL 65 10.193 -10.995 -11.007 528 H GLU 66 H GLU 66 9.141 -12.779 -9.797 529 HA GLU 66 HA GLU 66 11.027 -13.054 -7.573 530 HB2 GLU 66 2HB GLU 66 9.194 -14.743 -7.926 531 HB3 GLU 66 1HB GLU 66 9.998 -15.215 -9.416 532 HG2 GLU 66 2HG GLU 66 11.856 -15.218 -7.224 533 HG3 GLU 66 1HG GLU 66 10.446 -16.207 -6.847 534 H LEU 67 H LEU 67 12.663 -11.760 -8.606 535 HA LEU 67 HA LEU 67 14.089 -13.213 -10.735 536 HB2 LEU 67 2HB LEU 67 13.086 -10.995 -11.392 537 HB3 LEU 67 1HB LEU 67 14.190 -10.239 -10.258 538 HG LEU 67 HG LEU 67 16.009 -11.541 -11.663 539 HD11 LEU 67 1HD1 LEU 67 13.580 -11.534 -13.386 540 HD12 LEU 67 2HD1 LEU 67 14.846 -12.752 -13.223 541 HD13 LEU 67 3HD1 LEU 67 15.158 -11.271 -14.127 542 HD21 LEU 67 3HD2 LEU 67 15.765 -9.459 -13.326 543 HD22 LEU 67 1HD2 LEU 67 16.375 -9.308 -11.678 544 HD23 LEU 67 2HD2 LEU 67 14.690 -8.922 -12.034 545 HA PRO 68 HA PRO 68 17.058 -13.419 -7.318 546 HB2 PRO 68 2HB PRO 68 18.729 -15.188 -8.526 547 HB3 PRO 68 1HB PRO 68 17.238 -15.675 -7.710 548 HG2 PRO 68 2HG PRO 68 17.751 -15.258 -10.630 549 HG3 PRO 68 1HG PRO 68 16.851 -16.558 -9.826 550 HD2 PRO 68 2HD PRO 68 15.622 -14.462 -11.012 551 HD3 PRO 68 1HD PRO 68 14.959 -15.263 -9.572 552 H GLN 69 H GLN 69 19.326 -12.896 -7.082 553 HA GLN 69 HA GLN 69 20.164 -10.893 -9.015 554 HB2 GLN 69 2HB GLN 69 21.481 -11.666 -6.406 555 HB3 GLN 69 1HB GLN 69 21.782 -10.215 -7.352 556 HG2 GLN 69 2HG GLN 69 19.751 -9.256 -6.761 557 HG3 GLN 69 1HG GLN 69 19.055 -10.801 -6.273 558 HE21 GLN 69 1HE2 GLN 69 19.646 -8.073 -4.964 559 HE22 GLN 69 2HE2 GLN 69 20.338 -8.510 -3.443 560 H GLU 70 H GLU 70 22.414 -10.793 -9.744 561 HA GLU 70 HA GLU 70 23.452 -13.488 -10.302 562 HB2 GLU 70 2HB GLU 70 23.136 -11.071 -11.916 563 HB3 GLU 70 1HB GLU 70 24.744 -11.772 -12.039 564 HG2 GLU 70 2HG GLU 70 22.272 -13.428 -12.385 565 HG3 GLU 70 1HG GLU 70 22.981 -12.521 -13.718 566 H ILE 71 H ILE 71 25.322 -14.078 -9.431 567 HA ILE 71 HA ILE 71 26.856 -12.170 -7.892 568 HB ILE 71 HB ILE 71 28.287 -14.189 -7.367 569 HG12 ILE 71 2HG1 ILE 71 26.106 -15.954 -8.328 570 HG13 ILE 71 1HG1 ILE 71 27.182 -15.305 -9.561 571 HG21 ILE 71 1HG2 ILE 71 26.900 -13.846 -5.623 572 HG22 ILE 71 2HG2 ILE 71 26.138 -15.324 -6.209 573 HG23 ILE 71 3HG2 ILE 71 25.465 -13.754 -6.645 574 HD11 ILE 71 3HD1 ILE 71 29.100 -16.222 -8.327 575 HD12 ILE 71 1HD1 ILE 71 27.957 -17.464 -8.833 576 HD13 ILE 71 2HD1 ILE 71 27.985 -16.923 -7.154 577 H LYS 72 H LYS 72 27.775 -10.815 -9.451 578 HA LYS 72 HA LYS 72 30.048 -12.007 -10.870 579 HB2 LYS 72 2HB LYS 72 27.939 -11.491 -12.330 580 HB3 LYS 72 1HB LYS 72 28.472 -9.824 -12.182 581 HG2 LYS 72 2HG LYS 72 30.328 -10.154 -13.466 582 HG3 LYS 72 1HG LYS 72 30.458 -11.860 -13.036 583 HD2 LYS 72 2HD LYS 72 28.874 -12.506 -14.592 584 HD3 LYS 72 1HD LYS 72 28.121 -10.911 -14.640 585 HE2 LYS 72 2HE LYS 72 29.363 -11.413 -16.700 586 HE3 LYS 72 1HE LYS 72 30.024 -10.019 -15.846 587 HZ1 LYS 72 3HZ LYS 72 31.684 -11.588 -14.863 588 HZ2 LYS 72 1HZ LYS 72 31.837 -11.350 -16.530 589 HZ3 LYS 72 2HZ LYS 72 31.130 -12.769 -15.940 Start of MODEL 9 1 H MET 1 H MET 1 2.922 14.559 4.229 2 HA MET 1 HA MET 1 1.905 15.960 2.763 3 HB2 MET 1 2HB MET 1 4.453 16.166 3.175 4 HB3 MET 1 1HB MET 1 4.620 15.631 1.509 5 HG2 MET 1 2HG MET 1 2.829 17.608 1.186 6 HG3 MET 1 1HG MET 1 3.705 18.209 2.591 7 HE1 MET 1 2HE MET 1 3.899 16.549 -0.667 8 HE2 MET 1 3HE MET 1 5.603 16.627 -1.116 9 HE3 MET 1 1HE MET 1 4.495 17.896 -1.637 10 H ASP 2 H ASP 2 3.263 13.159 1.174 11 HA ASP 2 HA ASP 2 2.553 13.808 -1.476 12 HB2 ASP 2 2HB ASP 2 4.106 11.929 -0.587 13 HB3 ASP 2 1HB ASP 2 2.626 10.984 -0.445 14 H GLU 3 H GLU 3 0.875 12.748 -2.773 15 HA GLU 3 HA GLU 3 -1.689 13.167 -1.723 16 HB2 GLU 3 2HB GLU 3 -0.670 11.807 -4.200 17 HB3 GLU 3 1HB GLU 3 -2.387 11.808 -3.821 18 HG2 GLU 3 2HG GLU 3 -1.737 14.441 -3.523 19 HG3 GLU 3 1HG GLU 3 -0.682 13.944 -4.846 20 H PHE 4 H PHE 4 0.326 10.322 -1.852 21 HA PHE 4 HA PHE 4 -1.649 8.372 -1.388 22 HB2 PHE 4 2HB PHE 4 0.700 7.915 -2.123 23 HB3 PHE 4 1HB PHE 4 1.239 8.288 -0.489 24 HD1 PHE 4 1HD PHE 4 -1.674 6.323 -1.727 25 HD2 PHE 4 2HD PHE 4 1.974 6.325 0.463 26 HE1 PHE 4 1HE PHE 4 -2.074 3.986 -1.067 27 HE2 PHE 4 2HE PHE 4 1.583 3.988 1.126 28 HZ PHE 4 HZ PHE 4 -0.445 2.816 0.360 29 H VAL 5 H VAL 5 0.631 9.849 0.929 30 HA VAL 5 HA VAL 5 -0.545 8.743 3.227 31 HB VAL 5 HB VAL 5 0.972 11.351 3.081 32 HG11 VAL 5 1HG1 VAL 5 1.254 9.545 5.388 33 HG12 VAL 5 2HG1 VAL 5 -0.324 10.311 5.211 34 HG13 VAL 5 3HG1 VAL 5 1.129 11.303 5.328 35 HG21 VAL 5 3HG2 VAL 5 1.911 8.957 2.173 36 HG22 VAL 5 1HG2 VAL 5 2.431 8.933 3.858 37 HG23 VAL 5 2HG2 VAL 5 2.914 10.262 2.804 38 H LYS 6 H LYS 6 -1.077 11.832 1.580 39 HA LYS 6 HA LYS 6 -2.892 12.862 3.508 40 HB2 LYS 6 2HB LYS 6 -1.802 13.680 0.940 41 HB3 LYS 6 1HB LYS 6 -3.505 14.092 1.082 42 HG2 LYS 6 2HG LYS 6 -2.741 15.945 2.072 43 HG3 LYS 6 1HG LYS 6 -2.572 14.911 3.493 44 HD2 LYS 6 2HD LYS 6 -0.319 14.908 3.377 45 HD3 LYS 6 1HD LYS 6 -0.307 14.844 1.614 46 HE2 LYS 6 2HE LYS 6 0.438 16.960 1.795 47 HE3 LYS 6 1HE LYS 6 -1.272 17.333 2.006 48 HZ1 LYS 6 3HZ LYS 6 -0.737 16.901 4.490 49 HZ2 LYS 6 1HZ LYS 6 -0.324 18.387 3.794 50 HZ3 LYS 6 2HZ LYS 6 0.861 17.203 4.025 51 H GLY 7 H GLY 7 -3.253 10.937 0.589 52 HA2 GLY 7 2HA GLY 7 -6.047 11.174 0.301 53 HA3 GLY 7 1HA GLY 7 -5.064 9.853 -0.315 54 H LEU 8 H LEU 8 -4.070 8.947 2.200 55 HA LEU 8 HA LEU 8 -6.246 7.274 2.969 56 HB2 LEU 8 2HB LEU 8 -3.488 7.655 4.126 57 HB3 LEU 8 1HB LEU 8 -4.626 6.456 4.712 58 HG LEU 8 HG LEU 8 -3.782 6.504 1.830 59 HD11 LEU 8 1HD1 LEU 8 -1.748 6.428 3.212 60 HD12 LEU 8 2HD1 LEU 8 -2.029 4.921 2.342 61 HD13 LEU 8 3HD1 LEU 8 -2.397 5.026 4.063 62 HD21 LEU 8 3HD2 LEU 8 -4.173 3.936 2.479 63 HD22 LEU 8 1HD2 LEU 8 -5.468 4.996 1.917 64 HD23 LEU 8 2HD2 LEU 8 -5.257 4.697 3.644 65 H MET 9 H MET 9 -4.484 9.902 4.583 66 HA MET 9 HA MET 9 -5.863 9.830 7.016 67 HB2 MET 9 2HB MET 9 -3.865 11.414 5.847 68 HB3 MET 9 1HB MET 9 -5.152 12.534 6.273 69 HG2 MET 9 2HG MET 9 -5.005 12.037 8.538 70 HG3 MET 9 1HG MET 9 -4.152 10.523 8.247 71 HE1 MET 9 3HE MET 9 -1.106 11.563 6.580 72 HE2 MET 9 1HE MET 9 -2.083 10.269 7.272 73 HE3 MET 9 2HE MET 9 -0.770 10.979 8.211 74 H LYS 10 H LYS 10 -6.700 11.239 3.933 75 HA LYS 10 HA LYS 10 -8.775 12.937 4.821 76 HB2 LYS 10 2HB LYS 10 -8.080 11.688 2.182 77 HB3 LYS 10 1HB LYS 10 -9.586 12.577 2.374 78 HG2 LYS 10 2HG LYS 10 -6.855 13.706 2.952 79 HG3 LYS 10 1HG LYS 10 -7.738 13.930 1.440 80 HD2 LYS 10 2HD LYS 10 -9.580 14.979 2.715 81 HD3 LYS 10 1HD LYS 10 -8.616 14.825 4.186 82 HE2 LYS 10 2HE LYS 10 -7.981 16.924 3.648 83 HE3 LYS 10 1HE LYS 10 -6.837 16.073 2.612 84 HZ1 LYS 10 3HZ LYS 10 -8.826 16.217 0.933 85 HZ2 LYS 10 1HZ LYS 10 -7.754 17.513 1.126 86 HZ3 LYS 10 2HZ LYS 10 -9.264 17.543 1.886 87 H ASN 11 H ASN 11 -8.700 9.548 3.848 88 HA ASN 11 HA ASN 11 -11.576 9.319 4.357 89 HB2 ASN 11 2HB ASN 11 -9.566 7.617 2.923 90 HB3 ASN 11 1HB ASN 11 -11.062 6.895 3.509 91 HD21 ASN 11 1HD2 ASN 11 -13.065 7.764 2.737 92 HD22 ASN 11 2HD2 ASN 11 -13.137 8.511 1.179 93 H GLY 12 H GLY 12 -9.608 9.697 6.505 94 HA2 GLY 12 2HA GLY 12 -9.203 8.890 8.614 95 HA3 GLY 12 1HA GLY 12 -10.629 7.891 8.382 96 H TYR 13 H TYR 13 -7.237 8.025 7.286 97 HA TYR 13 HA TYR 13 -6.844 5.292 8.169 98 HB2 TYR 13 2HB TYR 13 -6.789 6.103 5.271 99 HB3 TYR 13 1HB TYR 13 -5.837 4.742 5.853 100 HD1 TYR 13 2HD TYR 13 -7.041 2.809 6.955 101 HD2 TYR 13 1HD TYR 13 -9.087 5.867 4.820 102 HE1 TYR 13 2HE TYR 13 -9.003 1.342 6.745 103 HE2 TYR 13 1HE TYR 13 -11.056 4.409 4.605 104 HH TYR 13 HH TYR 13 -11.636 2.076 4.673 105 H LEU 14 H LEU 14 -4.659 4.721 8.402 106 HA LEU 14 HA LEU 14 -2.708 6.864 7.906 107 HB2 LEU 14 2HB LEU 14 -2.786 5.208 10.425 108 HB3 LEU 14 1HB LEU 14 -1.713 6.550 10.071 109 HG LEU 14 HG LEU 14 -4.701 6.873 10.296 110 HD11 LEU 14 1HD1 LEU 14 -4.359 7.651 12.561 111 HD12 LEU 14 2HD1 LEU 14 -2.632 7.318 12.442 112 HD13 LEU 14 3HD1 LEU 14 -3.790 5.988 12.403 113 HD21 LEU 14 3HD2 LEU 14 -3.948 9.244 10.801 114 HD22 LEU 14 1HD2 LEU 14 -3.760 8.693 9.137 115 HD23 LEU 14 2HD2 LEU 14 -2.361 8.755 10.209 116 H ILE 15 H ILE 15 -0.476 6.131 7.851 117 HA ILE 15 HA ILE 15 -0.132 3.253 7.404 118 HB ILE 15 HB ILE 15 -0.510 4.260 5.197 119 HG12 ILE 15 2HG1 ILE 15 2.412 3.553 5.482 120 HG13 ILE 15 1HG1 ILE 15 1.127 2.355 5.599 121 HG21 ILE 15 1HG2 ILE 15 1.785 6.024 5.998 122 HG22 ILE 15 2HG2 ILE 15 0.176 6.496 5.454 123 HG23 ILE 15 3HG2 ILE 15 1.319 5.783 4.315 124 HD11 ILE 15 3HD1 ILE 15 1.486 4.135 3.210 125 HD12 ILE 15 1HD1 ILE 15 0.493 2.685 3.349 126 HD13 ILE 15 2HD1 ILE 15 2.252 2.555 3.364 127 H THR 16 H THR 16 2.020 2.498 7.640 128 HA THR 16 HA THR 16 3.648 4.225 9.349 129 HB THR 16 HB THR 16 4.872 2.185 9.953 130 HG1 THR 16 1HG THR 16 4.698 0.964 8.082 131 HG21 THR 16 3HG2 THR 16 2.513 0.898 10.574 132 HG22 THR 16 1HG2 THR 16 2.011 2.576 10.364 133 HG23 THR 16 2HG2 THR 16 3.275 2.174 11.526 134 HA PRO 17 HA PRO 17 6.777 5.185 6.404 135 HB2 PRO 17 2HB PRO 17 8.718 4.239 8.459 136 HB3 PRO 17 1HB PRO 17 8.660 5.777 7.587 137 HG2 PRO 17 2HG PRO 17 7.896 5.635 10.131 138 HG3 PRO 17 1HG PRO 17 7.022 6.655 8.974 139 HD2 PRO 17 2HD PRO 17 6.261 4.008 10.122 140 HD3 PRO 17 1HD PRO 17 5.236 5.394 9.700 141 H SER 18 H SER 18 7.154 2.147 8.191 142 HA SER 18 HA SER 18 8.979 0.895 6.484 143 HB2 SER 18 2HB SER 18 8.420 0.014 8.706 144 HB3 SER 18 1HB SER 18 6.789 -0.366 8.155 145 HG SER 18 HG SER 18 7.528 -2.129 7.297 146 H ALA 19 H ALA 19 5.525 1.336 6.230 147 HA ALA 19 HA ALA 19 5.399 -0.418 3.890 148 HB1 ALA 19 1HB ALA 19 3.423 0.657 5.806 149 HB2 ALA 19 2HB ALA 19 3.520 -0.930 5.042 150 HB3 ALA 19 3HB ALA 19 2.874 0.443 4.144 151 H TYR 20 H TYR 20 5.267 2.945 4.808 152 HA TYR 20 HA TYR 20 4.165 3.979 2.425 153 HB2 TYR 20 2HB TYR 20 4.280 5.294 4.487 154 HB3 TYR 20 1HB TYR 20 6.039 5.286 4.409 155 HD1 TYR 20 1HD TYR 20 3.394 5.969 1.854 156 HD2 TYR 20 2HD TYR 20 6.796 7.418 3.958 157 HE1 TYR 20 1HE TYR 20 3.338 8.030 0.515 158 HE2 TYR 20 2HE TYR 20 6.750 9.483 2.626 159 HH TYR 20 HH TYR 20 5.905 10.264 0.467 160 H TYR 21 H TYR 21 7.522 3.490 3.466 161 HA TYR 21 HA TYR 21 8.806 4.623 1.272 162 HB2 TYR 21 2HB TYR 21 9.528 2.641 3.356 163 HB3 TYR 21 1HB TYR 21 10.534 2.655 1.910 164 HD1 TYR 21 2HD TYR 21 11.524 4.926 1.198 165 HD2 TYR 21 1HD TYR 21 9.907 4.182 5.062 166 HE1 TYR 21 2HE TYR 21 12.778 6.846 2.085 167 HE2 TYR 21 1HE TYR 21 11.157 6.100 5.961 168 HH TYR 21 HH TYR 21 13.675 7.439 4.638 169 H LEU 22 H LEU 22 7.183 1.561 1.593 170 HA LEU 22 HA LEU 22 8.250 0.600 -0.947 171 HB2 LEU 22 2HB LEU 22 6.352 -0.694 1.011 172 HB3 LEU 22 1HB LEU 22 6.979 -1.456 -0.439 173 HG LEU 22 HG LEU 22 8.762 -0.479 1.785 174 HD11 LEU 22 1HD1 LEU 22 8.218 -3.366 1.475 175 HD12 LEU 22 2HD1 LEU 22 6.945 -2.395 2.214 176 HD13 LEU 22 3HD1 LEU 22 8.560 -2.421 2.924 177 HD21 LEU 22 3HD2 LEU 22 10.482 -1.451 0.665 178 HD22 LEU 22 1HD2 LEU 22 9.457 -1.066 -0.719 179 HD23 LEU 22 2HD2 LEU 22 9.460 -2.698 -0.049 180 H LEU 23 H LEU 23 5.090 1.296 0.534 181 HA LEU 23 HA LEU 23 3.559 0.861 -1.786 182 HB2 LEU 23 2HB LEU 23 3.096 2.387 0.753 183 HB3 LEU 23 1HB LEU 23 1.921 2.449 -0.549 184 HG LEU 23 HG LEU 23 2.848 -0.125 0.720 185 HD11 LEU 23 1HD1 LEU 23 0.333 0.148 1.594 186 HD12 LEU 23 2HD1 LEU 23 0.817 1.843 1.569 187 HD13 LEU 23 3HD1 LEU 23 1.738 0.676 2.517 188 HD21 LEU 23 3HD2 LEU 23 0.244 0.202 -0.660 189 HD22 LEU 23 1HD2 LEU 23 1.320 -1.193 -0.581 190 HD23 LEU 23 2HD2 LEU 23 1.696 0.148 -1.660 191 H VAL 24 H VAL 24 5.365 3.622 -0.651 192 HA VAL 24 HA VAL 24 4.205 5.641 -2.192 193 HB VAL 24 HB VAL 24 5.830 6.095 -0.411 194 HG11 VAL 24 1HG1 VAL 24 7.966 5.369 -0.379 195 HG12 VAL 24 2HG1 VAL 24 8.164 5.540 -2.124 196 HG13 VAL 24 3HG1 VAL 24 7.337 4.129 -1.463 197 HG21 VAL 24 3HG2 VAL 24 7.014 7.180 -2.943 198 HG22 VAL 24 1HG2 VAL 24 6.786 7.981 -1.388 199 HG23 VAL 24 2HG2 VAL 24 5.395 7.648 -2.420 200 H GLY 25 H GLY 25 6.455 3.112 -3.058 201 HA2 GLY 25 2HA GLY 25 7.036 4.309 -5.643 202 HA3 GLY 25 1HA GLY 25 7.673 2.790 -5.029 203 H HIS 26 H HIS 26 5.023 1.767 -4.316 204 HA HIS 26 HA HIS 26 4.341 0.691 -6.903 205 HB2 HIS 26 2HB HIS 26 4.298 -0.351 -4.395 206 HB3 HIS 26 1HB HIS 26 2.600 0.066 -4.601 207 HD1 HIS 26 1HD HIS 26 5.263 -1.763 -6.624 208 HD2 HIS 26 2HD HIS 26 1.205 -1.936 -5.751 209 HE1 HIS 26 1HE HIS 26 4.411 -3.816 -7.798 210 HE2 HIS 26 2HE HIS 26 1.934 -3.846 -7.334 211 H PHE 27 H PHE 27 3.231 3.259 -4.926 212 HA PHE 27 HA PHE 27 0.596 3.326 -6.169 213 HB2 PHE 27 2HB PHE 27 0.914 3.819 -3.726 214 HB3 PHE 27 1HB PHE 27 1.787 5.277 -4.188 215 HD1 PHE 27 1HD PHE 27 -1.488 3.569 -4.602 216 HD2 PHE 27 2HD PHE 27 0.638 7.255 -4.549 217 HE1 PHE 27 1HE PHE 27 -3.617 4.795 -4.739 218 HE2 PHE 27 2HE PHE 27 -1.487 8.488 -4.683 219 HZ PHE 27 HZ PHE 27 -3.618 7.258 -4.779 220 H ASN 28 H ASN 28 3.585 5.209 -6.054 221 HA ASN 28 HA ASN 28 2.669 7.319 -7.714 222 HB2 ASN 28 2HB ASN 28 4.669 7.373 -6.154 223 HB3 ASN 28 1HB ASN 28 5.539 6.448 -7.373 224 HD21 ASN 28 1HD2 ASN 28 6.993 8.260 -7.417 225 HD22 ASN 28 2HD2 ASN 28 6.603 9.648 -8.368 226 H GLU 29 H GLU 29 4.497 4.350 -8.350 227 HA GLU 29 HA GLU 29 5.017 4.794 -11.065 228 HB2 GLU 29 2HB GLU 29 4.724 2.282 -9.432 229 HB3 GLU 29 1HB GLU 29 5.085 2.226 -11.152 230 HG2 GLU 29 2HG GLU 29 7.121 3.488 -10.795 231 HG3 GLU 29 1HG GLU 29 6.749 3.637 -9.078 232 H GLY 30 H GLY 30 2.175 3.570 -9.418 233 HA2 GLY 30 2HA GLY 30 -0.001 3.827 -10.370 234 HA3 GLY 30 1HA GLY 30 0.723 3.729 -11.968 235 H LYS 31 H LYS 31 1.221 1.571 -9.205 236 HA LYS 31 HA LYS 31 0.521 -0.688 -10.903 237 HB2 LYS 31 2HB LYS 31 2.007 -0.328 -8.351 238 HB3 LYS 31 1HB LYS 31 1.209 -1.873 -8.607 239 HG2 LYS 31 2HG LYS 31 3.158 -0.630 -10.535 240 HG3 LYS 31 1HG LYS 31 3.583 -1.830 -9.313 241 HD2 LYS 31 2HD LYS 31 1.330 -2.492 -11.115 242 HD3 LYS 31 1HD LYS 31 2.943 -2.480 -11.827 243 HE2 LYS 31 2HE LYS 31 2.616 -3.878 -9.236 244 HE3 LYS 31 1HE LYS 31 1.895 -4.636 -10.654 245 HZ1 LYS 31 3HZ LYS 31 3.975 -4.784 -11.704 246 HZ2 LYS 31 1HZ LYS 31 4.252 -5.287 -10.110 247 HZ3 LYS 31 2HZ LYS 31 4.714 -3.735 -10.601 248 H PHE 32 H PHE 32 -0.367 0.550 -7.678 249 HA PHE 32 HA PHE 32 -2.936 -0.868 -7.963 250 HB2 PHE 32 2HB PHE 32 -3.010 -1.228 -5.616 251 HB3 PHE 32 1HB PHE 32 -1.388 -1.682 -6.128 252 HD1 PHE 32 2HD PHE 32 0.470 0.051 -5.824 253 HD2 PHE 32 1HD PHE 32 -3.322 0.313 -3.912 254 HE1 PHE 32 2HE PHE 32 1.423 1.581 -4.150 255 HE2 PHE 32 1HE PHE 32 -2.375 1.844 -2.235 256 HZ PHE 32 HZ PHE 32 0.000 2.479 -2.352 257 H SER 33 H SER 33 -4.595 0.189 -6.317 258 HA SER 33 HA SER 33 -4.459 3.111 -6.664 259 HB2 SER 33 2HB SER 33 -7.046 2.902 -6.856 260 HB3 SER 33 1HB SER 33 -6.057 2.519 -8.265 261 HG SER 33 HG SER 33 -6.230 0.305 -7.661 262 H LEU 34 H LEU 34 -5.796 4.337 -5.150 263 HA LEU 34 HA LEU 34 -5.392 3.524 -2.488 264 HB2 LEU 34 2HB LEU 34 -6.693 5.792 -3.860 265 HB3 LEU 34 1HB LEU 34 -7.258 5.470 -2.232 266 HG LEU 34 HG LEU 34 -4.373 5.951 -2.979 267 HD11 LEU 34 1HD1 LEU 34 -5.874 7.924 -3.280 268 HD12 LEU 34 2HD1 LEU 34 -4.609 8.141 -2.069 269 HD13 LEU 34 3HD1 LEU 34 -6.267 7.814 -1.564 270 HD21 LEU 34 3HD2 LEU 34 -5.300 4.616 -0.814 271 HD22 LEU 34 1HD2 LEU 34 -5.303 6.274 -0.210 272 HD23 LEU 34 2HD2 LEU 34 -3.814 5.565 -0.836 273 H ILE 35 H ILE 35 -8.256 3.488 -4.555 274 HA ILE 35 HA ILE 35 -10.171 2.790 -2.658 275 HB ILE 35 HB ILE 35 -10.729 3.443 -4.961 276 HG12 ILE 35 2HG1 ILE 35 -12.481 1.664 -5.361 277 HG13 ILE 35 1HG1 ILE 35 -11.759 0.756 -4.037 278 HG21 ILE 35 1HG2 ILE 35 -10.446 1.996 -6.824 279 HG22 ILE 35 2HG2 ILE 35 -9.896 0.675 -5.794 280 HG23 ILE 35 3HG2 ILE 35 -8.885 2.104 -6.009 281 HD11 ILE 35 3HD1 ILE 35 -13.169 3.399 -3.930 282 HD12 ILE 35 1HD1 ILE 35 -12.166 2.805 -2.608 283 HD13 ILE 35 2HD1 ILE 35 -13.587 1.893 -3.114 284 H GLU 36 H GLU 36 -7.845 0.795 -4.384 285 HA GLU 36 HA GLU 36 -8.952 -1.701 -3.554 286 HB2 GLU 36 2HB GLU 36 -6.274 -0.920 -4.700 287 HB3 GLU 36 1HB GLU 36 -6.674 -2.580 -4.277 288 HG2 GLU 36 2HG GLU 36 -8.677 -2.331 -5.811 289 HG3 GLU 36 1HG GLU 36 -7.920 -0.847 -6.384 290 H LEU 37 H LEU 37 -6.542 0.497 -2.270 291 HA LEU 37 HA LEU 37 -5.540 -1.306 -0.295 292 HB2 LEU 37 2HB LEU 37 -4.316 0.687 -1.218 293 HB3 LEU 37 1HB LEU 37 -5.398 1.707 -0.287 294 HG LEU 37 HG LEU 37 -4.577 0.566 1.789 295 HD11 LEU 37 1HD1 LEU 37 -3.049 -1.077 1.773 296 HD12 LEU 37 2HD1 LEU 37 -2.148 -0.367 0.432 297 HD13 LEU 37 3HD1 LEU 37 -3.595 -1.325 0.113 298 HD21 LEU 37 3HD2 LEU 37 -2.392 1.874 0.178 299 HD22 LEU 37 1HD2 LEU 37 -2.572 1.852 1.933 300 HD23 LEU 37 2HD2 LEU 37 -3.717 2.753 0.941 301 H ILE 38 H ILE 38 -7.946 1.287 -0.311 302 HA ILE 38 HA ILE 38 -8.469 1.295 2.459 303 HB ILE 38 HB ILE 38 -10.400 1.994 0.243 304 HG12 ILE 38 2HG1 ILE 38 -8.796 4.039 1.713 305 HG13 ILE 38 1HG1 ILE 38 -8.010 3.131 0.427 306 HG21 ILE 38 1HG2 ILE 38 -10.352 2.478 3.190 307 HG22 ILE 38 2HG2 ILE 38 -11.681 1.937 2.166 308 HG23 ILE 38 3HG2 ILE 38 -11.161 3.621 2.119 309 HD11 ILE 38 3HD1 ILE 38 -8.783 4.810 -0.844 310 HD12 ILE 38 1HD1 ILE 38 -10.072 5.217 0.287 311 HD13 ILE 38 2HD1 ILE 38 -10.272 3.866 -0.827 312 H LYS 39 H LYS 39 -9.603 -0.726 -0.153 313 HA LYS 39 HA LYS 39 -11.823 -1.862 1.198 314 HB2 LYS 39 2HB LYS 39 -10.165 -2.774 -1.148 315 HB3 LYS 39 1HB LYS 39 -11.518 -3.714 -0.533 316 HG2 LYS 39 2HG LYS 39 -13.080 -2.192 -1.250 317 HG3 LYS 39 1HG LYS 39 -11.939 -0.847 -1.222 318 HD2 LYS 39 2HD LYS 39 -11.554 -1.123 -3.394 319 HD3 LYS 39 1HD LYS 39 -10.986 -2.767 -3.089 320 HE2 LYS 39 2HE LYS 39 -13.900 -2.477 -3.051 321 HE3 LYS 39 1HE LYS 39 -13.160 -2.100 -4.605 322 HZ1 LYS 39 3HZ LYS 39 -13.820 -4.557 -3.870 323 HZ2 LYS 39 1HZ LYS 39 -12.229 -4.523 -3.292 324 HZ3 LYS 39 2HZ LYS 39 -12.544 -4.229 -4.929 325 H PHE 40 H PHE 40 -8.445 -2.860 0.816 326 HA PHE 40 HA PHE 40 -8.663 -5.326 2.156 327 HB2 PHE 40 2HB PHE 40 -6.727 -4.340 0.705 328 HB3 PHE 40 1HB PHE 40 -6.150 -3.690 2.236 329 HD1 PHE 40 2HD PHE 40 -6.977 -6.808 0.438 330 HD2 PHE 40 1HD PHE 40 -5.054 -5.059 3.809 331 HE1 PHE 40 2HE PHE 40 -5.912 -8.967 0.945 332 HE2 PHE 40 1HE PHE 40 -3.985 -7.215 4.321 333 HZ PHE 40 HZ PHE 40 -4.413 -9.172 2.889 334 H ALA 41 H ALA 41 -8.268 -2.050 3.298 335 HA ALA 41 HA ALA 41 -7.592 -2.830 5.989 336 HB1 ALA 41 1HB ALA 41 -8.529 -0.097 5.188 337 HB2 ALA 41 2HB ALA 41 -6.912 -0.668 4.778 338 HB3 ALA 41 3HB ALA 41 -7.404 -0.556 6.468 339 H LYS 42 H LYS 42 -10.463 -1.676 4.278 340 HA LYS 42 HA LYS 42 -12.141 -1.312 6.486 341 HB2 LYS 42 2HB LYS 42 -12.583 -1.857 3.582 342 HB3 LYS 42 1HB LYS 42 -13.953 -1.969 4.678 343 HG2 LYS 42 2HG LYS 42 -12.857 0.412 5.415 344 HG3 LYS 42 1HG LYS 42 -12.522 0.379 3.683 345 HD2 LYS 42 2HD LYS 42 -14.607 1.181 3.462 346 HD3 LYS 42 1HD LYS 42 -15.114 -0.482 3.772 347 HE2 LYS 42 2HE LYS 42 -15.390 -0.008 6.119 348 HE3 LYS 42 1HE LYS 42 -14.730 1.613 5.908 349 HZ1 LYS 42 3HZ LYS 42 -17.322 0.557 4.946 350 HZ2 LYS 42 1HZ LYS 42 -16.651 1.981 4.326 351 HZ3 LYS 42 2HZ LYS 42 -17.041 1.875 5.970 352 H SER 43 H SER 43 -11.703 -4.174 4.416 353 HA SER 43 HA SER 43 -13.531 -5.833 5.748 354 HB2 SER 43 2HB SER 43 -12.255 -7.710 4.698 355 HB3 SER 43 1HB SER 43 -12.694 -6.438 3.558 356 HG SER 43 HG SER 43 -10.174 -6.659 4.847 357 H ARG 44 H ARG 44 -10.208 -5.005 6.438 358 HA ARG 44 HA ARG 44 -9.835 -7.067 8.401 359 HB2 ARG 44 2HB ARG 44 -8.254 -4.629 7.617 360 HB3 ARG 44 1HB ARG 44 -7.790 -5.632 8.983 361 HG2 ARG 44 2HG ARG 44 -8.213 -6.802 6.258 362 HG3 ARG 44 1HG ARG 44 -6.676 -6.075 6.728 363 HD2 ARG 44 2HD ARG 44 -8.006 -8.198 8.386 364 HD3 ARG 44 1HD ARG 44 -6.941 -8.601 7.041 365 HE ARG 44 HE ARG 44 -5.489 -6.855 8.549 366 HH11 ARG 44 1HH1 ARG 44 -7.119 -9.874 9.192 367 HH12 ARG 44 2HH1 ARG 44 -6.019 -10.345 10.442 368 HH21 ARG 44 1HH2 ARG 44 -4.041 -7.474 10.194 369 HH22 ARG 44 2HH2 ARG 44 -4.272 -8.982 11.013 370 H GLU 45 H GLU 45 -11.377 -4.032 8.385 371 HA GLU 45 HA GLU 45 -12.417 -2.822 10.001 372 HB2 GLU 45 2HB GLU 45 -11.740 -5.120 11.847 373 HB3 GLU 45 1HB GLU 45 -12.956 -3.880 12.118 374 HG2 GLU 45 2HG GLU 45 -13.958 -4.768 9.883 375 HG3 GLU 45 1HG GLU 45 -13.004 -6.204 10.255 376 H THR 46 H THR 46 -10.028 -1.890 9.479 377 HA THR 46 HA THR 46 -9.167 -0.770 11.980 378 HB THR 46 HB THR 46 -7.816 -2.750 12.111 379 HG1 THR 46 1HG THR 46 -6.768 -0.732 12.596 380 HG21 THR 46 3HG2 THR 46 -6.666 -3.729 10.392 381 HG22 THR 46 1HG2 THR 46 -6.401 -2.199 9.554 382 HG23 THR 46 2HG2 THR 46 -7.977 -2.988 9.473 383 H PHE 47 H PHE 47 -8.244 1.208 11.716 384 HA PHE 47 HA PHE 47 -8.051 2.184 8.961 385 HB2 PHE 47 2HB PHE 47 -7.994 4.454 10.124 386 HB3 PHE 47 1HB PHE 47 -9.498 3.547 10.245 387 HD1 PHE 47 1HD PHE 47 -6.463 4.574 12.062 388 HD2 PHE 47 2HD PHE 47 -10.327 2.810 12.339 389 HE1 PHE 47 1HE PHE 47 -6.365 4.752 14.514 390 HE2 PHE 47 2HE PHE 47 -10.236 2.986 14.791 391 HZ PHE 47 HZ PHE 47 -8.253 3.959 15.882 392 H ILE 48 H ILE 48 -5.960 0.548 10.108 393 HA ILE 48 HA ILE 48 -3.745 2.477 9.930 394 HB ILE 48 HB ILE 48 -3.703 0.048 11.718 395 HG12 ILE 48 2HG1 ILE 48 -3.906 2.911 12.637 396 HG13 ILE 48 1HG1 ILE 48 -5.332 1.909 12.389 397 HG21 ILE 48 1HG2 ILE 48 -1.790 2.260 11.113 398 HG22 ILE 48 2HG2 ILE 48 -1.501 0.523 11.209 399 HG23 ILE 48 3HG2 ILE 48 -1.748 1.459 12.683 400 HD11 ILE 48 3HD1 ILE 48 -3.321 0.608 14.029 401 HD12 ILE 48 1HD1 ILE 48 -5.042 0.856 14.324 402 HD13 ILE 48 2HD1 ILE 48 -3.888 2.133 14.710 403 H ILE 49 H ILE 49 -2.547 2.054 8.205 404 HA ILE 49 HA ILE 49 -2.536 -0.663 7.102 405 HB ILE 49 HB ILE 49 -1.500 1.854 5.798 406 HG12 ILE 49 2HG1 ILE 49 -4.127 0.534 5.157 407 HG13 ILE 49 1HG1 ILE 49 -4.016 1.766 6.410 408 HG21 ILE 49 1HG2 ILE 49 -1.712 -0.978 5.015 409 HG22 ILE 49 2HG2 ILE 49 -0.575 0.265 4.491 410 HG23 ILE 49 3HG2 ILE 49 -2.192 0.198 3.791 411 HD11 ILE 49 3HD1 ILE 49 -4.374 2.151 3.676 412 HD12 ILE 49 1HD1 ILE 49 -2.720 2.661 4.012 413 HD13 ILE 49 2HD1 ILE 49 -4.061 3.380 4.903 414 H ASP 50 H ASP 50 -1.045 -1.532 8.619 415 HA ASP 50 HA ASP 50 1.624 -0.411 8.763 416 HB2 ASP 50 2HB ASP 50 0.210 -1.697 10.611 417 HB3 ASP 50 1HB ASP 50 0.980 -3.102 9.879 418 H ASP 51 H ASP 51 3.433 -2.226 8.664 419 HA ASP 51 HA ASP 51 3.776 -2.888 5.977 420 HB2 ASP 51 2HB ASP 51 5.562 -2.674 7.777 421 HB3 ASP 51 1HB ASP 51 5.136 -4.313 8.264 422 H GLU 52 H GLU 52 2.437 -4.739 8.641 423 HA GLU 52 HA GLU 52 2.415 -7.266 7.405 424 HB2 GLU 52 2HB GLU 52 1.057 -6.003 9.715 425 HB3 GLU 52 1HB GLU 52 0.273 -7.425 9.039 426 HG2 GLU 52 2HG GLU 52 1.610 -8.385 10.616 427 HG3 GLU 52 1HG GLU 52 2.667 -8.457 9.207 428 H ILE 53 H ILE 53 0.098 -4.603 7.381 429 HA ILE 53 HA ILE 53 -1.880 -6.049 5.888 430 HB ILE 53 HB ILE 53 -1.675 -3.057 6.206 431 HG12 ILE 53 2HG1 ILE 53 -1.585 -4.167 8.407 432 HG13 ILE 53 1HG1 ILE 53 -3.096 -3.292 8.182 433 HG21 ILE 53 1HG2 ILE 53 -4.161 -3.220 5.982 434 HG22 ILE 53 2HG2 ILE 53 -3.951 -4.920 5.562 435 HG23 ILE 53 3HG2 ILE 53 -3.260 -3.665 4.533 436 HD11 ILE 53 3HD1 ILE 53 -3.726 -5.796 7.281 437 HD12 ILE 53 1HD1 ILE 53 -4.067 -5.164 8.891 438 HD13 ILE 53 2HD1 ILE 53 -2.618 -6.130 8.612 439 H ALA 54 H ALA 54 0.635 -3.687 5.130 440 HA ALA 54 HA ALA 54 -0.071 -3.304 2.421 441 HB1 ALA 54 1HB ALA 54 2.730 -3.048 3.467 442 HB2 ALA 54 2HB ALA 54 1.474 -1.885 3.889 443 HB3 ALA 54 3HB ALA 54 1.931 -2.115 2.201 444 H ASN 55 H ASN 55 2.244 -5.482 3.998 445 HA ASN 55 HA ASN 55 3.334 -6.607 1.676 446 HB2 ASN 55 2HB ASN 55 4.009 -6.837 4.208 447 HB3 ASN 55 1HB ASN 55 2.970 -8.257 4.149 448 HD21 ASN 55 1HD2 ASN 55 5.879 -6.778 2.929 449 HD22 ASN 55 2HD2 ASN 55 6.590 -8.225 2.307 450 H GLU 56 H GLU 56 0.753 -7.883 3.781 451 HA GLU 56 HA GLU 56 0.111 -10.094 2.188 452 HB2 GLU 56 2HB GLU 56 -1.194 -8.606 4.391 453 HB3 GLU 56 1HB GLU 56 -2.253 -9.589 3.387 454 HG2 GLU 56 2HG GLU 56 -1.711 -11.246 4.769 455 HG3 GLU 56 1HG GLU 56 -0.194 -11.304 3.875 456 H PHE 57 H PHE 57 -0.862 -6.743 2.002 457 HA PHE 57 HA PHE 57 -3.081 -7.040 0.297 458 HB2 PHE 57 2HB PHE 57 -2.602 -4.961 1.516 459 HB3 PHE 57 1HB PHE 57 -1.162 -4.714 0.534 460 HD1 PHE 57 2HD PHE 57 -4.790 -5.413 -0.014 461 HD2 PHE 57 1HD PHE 57 -1.353 -3.173 -1.144 462 HE1 PHE 57 2HE PHE 57 -6.137 -4.188 -1.670 463 HE2 PHE 57 1HE PHE 57 -2.693 -1.944 -2.800 464 HZ PHE 57 HZ PHE 57 -5.089 -2.451 -3.065 465 H LEU 58 H LEU 58 0.343 -6.409 -0.413 466 HA LEU 58 HA LEU 58 -0.012 -6.400 -3.238 467 HB2 LEU 58 2HB LEU 58 2.535 -6.905 -1.703 468 HB3 LEU 58 1HB LEU 58 2.396 -6.372 -3.367 469 HG LEU 58 HG LEU 58 1.372 -4.723 -1.065 470 HD11 LEU 58 1HD1 LEU 58 3.396 -3.814 -0.667 471 HD12 LEU 58 2HD1 LEU 58 3.926 -3.989 -2.340 472 HD13 LEU 58 3HD1 LEU 58 3.973 -5.376 -1.251 473 HD21 LEU 58 3HD2 LEU 58 1.924 -4.239 -3.974 474 HD22 LEU 58 1HD2 LEU 58 1.829 -2.912 -2.814 475 HD23 LEU 58 2HD2 LEU 58 0.435 -3.964 -3.069 476 H LYS 59 H LYS 59 0.853 -8.847 -0.867 477 HA LYS 59 HA LYS 59 1.632 -10.847 -2.719 478 HB2 LYS 59 2HB LYS 59 0.636 -11.042 0.127 479 HB3 LYS 59 1HB LYS 59 1.256 -12.408 -0.789 480 HG2 LYS 59 2HG LYS 59 2.908 -9.941 -0.433 481 HG3 LYS 59 1HG LYS 59 2.826 -11.168 0.833 482 HD2 LYS 59 2HD LYS 59 3.561 -12.862 -0.797 483 HD3 LYS 59 1HD LYS 59 3.687 -11.605 -2.028 484 HE2 LYS 59 2HE LYS 59 5.238 -11.699 0.558 485 HE3 LYS 59 1HE LYS 59 5.865 -12.139 -1.030 486 HZ1 LYS 59 3HZ LYS 59 6.539 -10.007 -1.017 487 HZ2 LYS 59 1HZ LYS 59 5.372 -9.511 0.105 488 HZ3 LYS 59 2HZ LYS 59 4.957 -9.692 -1.525 489 H SER 60 H SER 60 -1.446 -9.839 -1.406 490 HA SER 60 HA SER 60 -2.907 -12.140 -2.254 491 HB2 SER 60 2HB SER 60 -3.523 -9.536 -1.016 492 HB3 SER 60 1HB SER 60 -4.804 -10.191 -2.033 493 HG SER 60 HG SER 60 -4.699 -10.828 0.300 494 H ILE 61 H ILE 61 -2.697 -8.808 -3.505 495 HA ILE 61 HA ILE 61 -4.277 -9.254 -5.792 496 HB ILE 61 HB ILE 61 -3.281 -7.186 -6.684 497 HG12 ILE 61 2HG1 ILE 61 -1.555 -7.230 -4.197 498 HG13 ILE 61 1HG1 ILE 61 -0.977 -7.609 -5.816 499 HG21 ILE 61 1HG2 ILE 61 -5.118 -6.844 -5.264 500 HG22 ILE 61 2HG2 ILE 61 -3.885 -5.721 -4.689 501 HG23 ILE 61 3HG2 ILE 61 -4.181 -7.225 -3.819 502 HD11 ILE 61 3HD1 ILE 61 -0.430 -5.325 -5.131 503 HD12 ILE 61 1HD1 ILE 61 -2.151 -4.971 -4.967 504 HD13 ILE 61 2HD1 ILE 61 -1.476 -5.361 -6.551 505 H GLY 62 H GLY 62 -0.892 -9.809 -5.133 506 HA2 GLY 62 2HA GLY 62 0.533 -11.223 -6.321 507 HA3 GLY 62 1HA GLY 62 -0.657 -11.300 -7.611 508 H ALA 63 H ALA 63 0.884 -8.474 -6.124 509 HA ALA 63 HA ALA 63 1.371 -7.254 -8.645 510 HB1 ALA 63 1HB ALA 63 2.814 -5.696 -7.151 511 HB2 ALA 63 2HB ALA 63 2.097 -6.601 -5.819 512 HB3 ALA 63 3HB ALA 63 1.064 -5.719 -6.942 513 H GLU 64 H GLU 64 2.980 -7.604 -10.013 514 HA GLU 64 HA GLU 64 5.672 -8.030 -9.155 515 HB2 GLU 64 2HB GLU 64 5.916 -10.253 -10.302 516 HB3 GLU 64 1HB GLU 64 4.991 -10.292 -8.808 517 HG2 GLU 64 2HG GLU 64 3.178 -11.056 -9.836 518 HG3 GLU 64 1HG GLU 64 3.301 -9.850 -11.116 519 H VAL 65 H VAL 65 7.184 -8.010 -10.910 520 HA VAL 65 HA VAL 65 6.492 -6.276 -12.998 521 HB VAL 65 HB VAL 65 8.842 -8.173 -12.977 522 HG11 VAL 65 1HG1 VAL 65 9.033 -7.272 -15.039 523 HG12 VAL 65 2HG1 VAL 65 9.729 -5.921 -14.145 524 HG13 VAL 65 3HG1 VAL 65 8.037 -5.873 -14.639 525 HG21 VAL 65 3HG2 VAL 65 9.297 -5.418 -12.111 526 HG22 VAL 65 1HG2 VAL 65 9.889 -6.933 -11.431 527 HG23 VAL 65 2HG2 VAL 65 8.277 -6.350 -11.016 528 H GLU 66 H GLU 66 5.354 -6.641 -14.777 529 HA GLU 66 HA GLU 66 5.232 -9.385 -15.836 530 HB2 GLU 66 2HB GLU 66 3.111 -8.516 -16.972 531 HB3 GLU 66 1HB GLU 66 3.046 -8.776 -15.234 532 HG2 GLU 66 2HG GLU 66 3.243 -6.438 -14.805 533 HG3 GLU 66 1HG GLU 66 3.567 -6.102 -16.505 534 H LEU 67 H LEU 67 5.736 -6.011 -16.646 535 HA LEU 67 HA LEU 67 6.917 -6.857 -19.189 536 HB2 LEU 67 2HB LEU 67 4.962 -4.576 -18.887 537 HB3 LEU 67 1HB LEU 67 5.872 -4.938 -20.341 538 HG LEU 67 HG LEU 67 3.932 -6.885 -19.106 539 HD11 LEU 67 1HD1 LEU 67 2.584 -6.068 -21.222 540 HD12 LEU 67 2HD1 LEU 67 3.474 -4.576 -20.919 541 HD13 LEU 67 3HD1 LEU 67 2.437 -5.255 -19.664 542 HD21 LEU 67 3HD2 LEU 67 4.318 -8.218 -20.889 543 HD22 LEU 67 1HD2 LEU 67 5.866 -7.374 -20.898 544 HD23 LEU 67 2HD2 LEU 67 4.577 -6.862 -21.986 545 HA PRO 68 HA PRO 68 10.083 -4.123 -17.659 546 HB2 PRO 68 2HB PRO 68 11.736 -4.200 -19.788 547 HB3 PRO 68 1HB PRO 68 11.557 -5.569 -18.684 548 HG2 PRO 68 2HG PRO 68 10.317 -5.127 -21.372 549 HG3 PRO 68 1HG PRO 68 11.030 -6.604 -20.698 550 HD2 PRO 68 2HD PRO 68 8.345 -6.136 -20.774 551 HD3 PRO 68 1HD PRO 68 9.125 -7.142 -19.539 552 H GLN 69 H GLN 69 8.991 -3.692 -21.023 553 HA GLN 69 HA GLN 69 8.665 -0.840 -20.538 554 HB2 GLN 69 2HB GLN 69 10.660 -2.020 -22.425 555 HB3 GLN 69 1HB GLN 69 9.843 -0.531 -22.879 556 HG2 GLN 69 2HG GLN 69 10.802 0.676 -21.156 557 HG3 GLN 69 1HG GLN 69 11.164 -0.767 -20.212 558 HE21 GLN 69 1HE2 GLN 69 11.843 0.113 -23.577 559 HE22 GLN 69 2HE2 GLN 69 13.554 -0.095 -23.468 560 H GLU 70 H GLU 70 8.755 -3.057 -23.334 561 HA GLU 70 HA GLU 70 6.046 -2.128 -24.028 562 HB2 GLU 70 2HB GLU 70 8.436 -2.793 -25.666 563 HB3 GLU 70 1HB GLU 70 6.863 -3.211 -26.333 564 HG2 GLU 70 2HG GLU 70 6.925 -1.133 -27.155 565 HG3 GLU 70 1HG GLU 70 6.404 -0.672 -25.536 566 H ILE 71 H ILE 71 5.112 -3.938 -25.694 567 HA ILE 71 HA ILE 71 5.373 -6.542 -24.348 568 HB ILE 71 HB ILE 71 3.318 -5.454 -23.568 569 HG12 ILE 71 2HG1 ILE 71 2.316 -7.553 -25.436 570 HG13 ILE 71 1HG1 ILE 71 3.569 -8.005 -24.284 571 HG21 ILE 71 1HG2 ILE 71 2.985 -4.937 -26.439 572 HG22 ILE 71 2HG2 ILE 71 2.398 -4.032 -25.042 573 HG23 ILE 71 3HG2 ILE 71 1.524 -5.458 -25.600 574 HD11 ILE 71 3HD1 ILE 71 1.113 -6.588 -23.350 575 HD12 ILE 71 1HD1 ILE 71 2.196 -7.660 -22.462 576 HD13 ILE 71 2HD1 ILE 71 1.085 -8.324 -23.660 577 H LYS 72 H LYS 72 6.851 -6.249 -26.494 578 HA LYS 72 HA LYS 72 5.341 -7.110 -28.843 579 HB2 LYS 72 2HB LYS 72 7.420 -5.386 -28.633 580 HB3 LYS 72 1HB LYS 72 8.283 -6.873 -29.004 581 HG2 LYS 72 2HG LYS 72 6.352 -6.985 -30.868 582 HG3 LYS 72 1HG LYS 72 6.508 -5.237 -30.689 583 HD2 LYS 72 2HD LYS 72 9.076 -5.775 -30.853 584 HD3 LYS 72 1HD LYS 72 8.498 -7.237 -31.654 585 HE2 LYS 72 2HE LYS 72 7.603 -6.071 -33.431 586 HE3 LYS 72 1HE LYS 72 7.433 -4.582 -32.502 587 HZ1 LYS 72 3HZ LYS 72 10.035 -5.731 -33.350 588 HZ2 LYS 72 1HZ LYS 72 9.781 -4.231 -32.609 589 HZ3 LYS 72 2HZ LYS 72 9.221 -4.505 -34.181 Start of MODEL 10 1 H MET 1 H MET 1 5.330 17.643 -1.078 2 HA MET 1 HA MET 1 3.169 16.693 -1.324 3 HB2 MET 1 2HB MET 1 5.061 16.032 -3.591 4 HB3 MET 1 1HB MET 1 3.331 16.311 -3.738 5 HG2 MET 1 2HG MET 1 4.082 18.601 -2.541 6 HG3 MET 1 1HG MET 1 5.543 18.225 -3.452 7 HE1 MET 1 2HE MET 1 5.178 20.531 -4.495 8 HE2 MET 1 3HE MET 1 3.519 20.919 -4.039 9 HE3 MET 1 1HE MET 1 3.987 20.908 -5.739 10 H ASP 2 H ASP 2 1.995 14.964 -0.841 11 HA ASP 2 HA ASP 2 2.770 12.335 -1.764 12 HB2 ASP 2 2HB ASP 2 2.474 11.370 0.572 13 HB3 ASP 2 1HB ASP 2 3.965 12.262 0.285 14 H GLU 3 H GLU 3 0.871 12.382 -2.961 15 HA GLU 3 HA GLU 3 -1.670 12.993 -1.852 16 HB2 GLU 3 2HB GLU 3 -0.846 11.535 -4.364 17 HB3 GLU 3 1HB GLU 3 -2.525 11.856 -3.950 18 HG2 GLU 3 2HG GLU 3 -2.393 14.004 -4.551 19 HG3 GLU 3 1HG GLU 3 -0.792 14.209 -3.844 20 H PHE 4 H PHE 4 0.245 10.092 -2.048 21 HA PHE 4 HA PHE 4 -1.756 8.171 -1.653 22 HB2 PHE 4 2HB PHE 4 0.608 7.685 -2.293 23 HB3 PHE 4 1HB PHE 4 1.092 8.058 -0.642 24 HD1 PHE 4 1HD PHE 4 -1.830 6.139 -1.914 25 HD2 PHE 4 2HD PHE 4 1.819 6.065 0.273 26 HE1 PHE 4 1HE PHE 4 -2.270 3.806 -1.266 27 HE2 PHE 4 2HE PHE 4 1.386 3.733 0.925 28 HZ PHE 4 HZ PHE 4 -0.660 2.600 0.156 29 H VAL 5 H VAL 5 0.378 9.714 0.752 30 HA VAL 5 HA VAL 5 -0.853 8.559 3.004 31 HB VAL 5 HB VAL 5 0.602 11.205 2.919 32 HG11 VAL 5 1HG1 VAL 5 -0.125 11.175 5.058 33 HG12 VAL 5 2HG1 VAL 5 1.249 10.091 5.278 34 HG13 VAL 5 3HG1 VAL 5 -0.372 9.430 5.065 35 HG21 VAL 5 3HG2 VAL 5 2.085 8.816 3.754 36 HG22 VAL 5 1HG2 VAL 5 2.582 10.164 2.731 37 HG23 VAL 5 2HG2 VAL 5 1.639 8.841 2.048 38 H LYS 6 H LYS 6 -1.152 11.876 1.720 39 HA LYS 6 HA LYS 6 -3.173 12.716 3.456 40 HB2 LYS 6 2HB LYS 6 -1.740 13.821 1.330 41 HB3 LYS 6 1HB LYS 6 -3.421 13.911 0.821 42 HG2 LYS 6 2HG LYS 6 -2.823 15.944 1.941 43 HG3 LYS 6 1HG LYS 6 -3.963 15.050 2.947 44 HD2 LYS 6 2HD LYS 6 -2.281 15.841 4.410 45 HD3 LYS 6 1HD LYS 6 -1.949 14.123 4.172 46 HE2 LYS 6 2HE LYS 6 0.152 14.954 3.864 47 HE3 LYS 6 1HE LYS 6 -0.445 15.056 2.207 48 HZ1 LYS 6 3HZ LYS 6 0.667 17.096 3.491 49 HZ2 LYS 6 1HZ LYS 6 -0.955 17.370 3.890 50 HZ3 LYS 6 2HZ LYS 6 -0.483 17.292 2.267 51 H GLY 7 H GLY 7 -3.335 11.002 0.386 52 HA2 GLY 7 2HA GLY 7 -6.077 11.257 -0.118 53 HA3 GLY 7 1HA GLY 7 -5.067 9.928 -0.667 54 H LEU 8 H LEU 8 -4.345 9.098 2.036 55 HA LEU 8 HA LEU 8 -6.666 7.465 2.556 56 HB2 LEU 8 2HB LEU 8 -3.898 7.585 3.730 57 HB3 LEU 8 1HB LEU 8 -5.144 6.544 4.396 58 HG LEU 8 HG LEU 8 -4.623 6.307 1.484 59 HD11 LEU 8 1HD1 LEU 8 -2.622 5.698 3.600 60 HD12 LEU 8 2HD1 LEU 8 -2.385 6.260 1.946 61 HD13 LEU 8 3HD1 LEU 8 -2.800 4.574 2.252 62 HD21 LEU 8 3HD2 LEU 8 -4.938 4.175 3.579 63 HD22 LEU 8 1HD2 LEU 8 -5.210 4.053 1.841 64 HD23 LEU 8 2HD2 LEU 8 -6.315 4.993 2.843 65 H MET 9 H MET 9 -4.901 10.055 4.175 66 HA MET 9 HA MET 9 -6.309 9.964 6.618 67 HB2 MET 9 2HB MET 9 -4.216 11.479 5.514 68 HB3 MET 9 1HB MET 9 -5.458 12.642 5.954 69 HG2 MET 9 2HG MET 9 -5.211 12.283 8.169 70 HG3 MET 9 1HG MET 9 -4.821 10.576 7.961 71 HE1 MET 9 3HE MET 9 -2.935 9.599 7.431 72 HE2 MET 9 1HE MET 9 -1.783 10.034 8.693 73 HE3 MET 9 2HE MET 9 -1.374 10.294 6.997 74 H LYS 10 H LYS 10 -7.100 11.279 3.512 75 HA LYS 10 HA LYS 10 -8.966 13.230 4.214 76 HB2 LYS 10 2HB LYS 10 -8.632 11.463 1.812 77 HB3 LYS 10 1HB LYS 10 -10.027 12.525 1.941 78 HG2 LYS 10 2HG LYS 10 -7.180 13.475 2.147 79 HG3 LYS 10 1HG LYS 10 -8.108 13.455 0.646 80 HD2 LYS 10 2HD LYS 10 -9.428 15.195 1.280 81 HD3 LYS 10 1HD LYS 10 -9.366 14.761 2.989 82 HE2 LYS 10 2HE LYS 10 -6.843 15.674 1.735 83 HE3 LYS 10 1HE LYS 10 -8.099 16.888 1.980 84 HZ1 LYS 10 3HZ LYS 10 -7.033 17.008 3.968 85 HZ2 LYS 10 1HZ LYS 10 -6.553 15.384 3.958 86 HZ3 LYS 10 2HZ LYS 10 -8.147 15.794 4.352 87 H ASN 11 H ASN 11 -9.353 9.741 3.785 88 HA ASN 11 HA ASN 11 -12.175 9.895 4.466 89 HB2 ASN 11 2HB ASN 11 -10.354 7.662 3.595 90 HB3 ASN 11 1HB ASN 11 -11.965 7.335 4.225 91 HD21 ASN 11 1HD2 ASN 11 -10.408 9.531 1.909 92 HD22 ASN 11 2HD2 ASN 11 -11.605 9.350 0.676 93 H GLY 12 H GLY 12 -9.127 9.024 5.918 94 HA2 GLY 12 2HA GLY 12 -9.098 9.300 8.385 95 HA3 GLY 12 1HA GLY 12 -10.573 8.343 8.406 96 H TYR 13 H TYR 13 -7.278 8.074 7.062 97 HA TYR 13 HA TYR 13 -7.049 5.450 8.347 98 HB2 TYR 13 2HB TYR 13 -6.786 6.047 5.421 99 HB3 TYR 13 1HB TYR 13 -5.826 4.758 6.137 100 HD1 TYR 13 2HD TYR 13 -9.229 5.874 5.317 101 HD2 TYR 13 1HD TYR 13 -6.851 2.703 6.864 102 HE1 TYR 13 2HE TYR 13 -11.144 4.344 5.110 103 HE2 TYR 13 1HE TYR 13 -8.758 1.164 6.657 104 HH TYR 13 HH TYR 13 -11.207 1.270 6.551 105 H LEU 14 H LEU 14 -4.846 4.701 8.572 106 HA LEU 14 HA LEU 14 -2.832 6.834 8.339 107 HB2 LEU 14 2HB LEU 14 -3.025 4.933 10.670 108 HB3 LEU 14 1HB LEU 14 -1.939 6.298 10.499 109 HG LEU 14 HG LEU 14 -4.939 6.481 10.788 110 HD11 LEU 14 1HD1 LEU 14 -3.959 7.715 12.952 111 HD12 LEU 14 2HD1 LEU 14 -2.705 6.496 12.719 112 HD13 LEU 14 3HD1 LEU 14 -4.386 6.002 12.925 113 HD21 LEU 14 3HD2 LEU 14 -4.535 8.437 9.725 114 HD22 LEU 14 1HD2 LEU 14 -2.823 8.440 10.146 115 HD23 LEU 14 2HD2 LEU 14 -4.023 8.941 11.335 116 H ILE 15 H ILE 15 -0.692 6.153 8.004 117 HA ILE 15 HA ILE 15 -0.295 3.292 7.488 118 HB ILE 15 HB ILE 15 -0.812 4.344 5.331 119 HG12 ILE 15 2HG1 ILE 15 2.113 3.605 5.580 120 HG13 ILE 15 1HG1 ILE 15 0.786 2.452 5.464 121 HG21 ILE 15 1HG2 ILE 15 1.495 6.134 6.045 122 HG22 ILE 15 2HG2 ILE 15 -0.158 6.591 5.632 123 HG23 ILE 15 3HG2 ILE 15 0.912 5.938 4.391 124 HD11 ILE 15 3HD1 ILE 15 0.224 3.540 3.250 125 HD12 ILE 15 1HD1 ILE 15 1.711 2.593 3.315 126 HD13 ILE 15 2HD1 ILE 15 1.784 4.355 3.373 127 H THR 16 H THR 16 1.734 2.524 7.926 128 HA THR 16 HA THR 16 3.430 4.229 9.524 129 HB THR 16 HB THR 16 4.859 2.001 9.482 130 HG1 THR 16 1HG THR 16 3.353 1.127 7.830 131 HG21 THR 16 3HG2 THR 16 2.284 2.504 10.954 132 HG22 THR 16 1HG2 THR 16 3.936 2.747 11.519 133 HG23 THR 16 2HG2 THR 16 3.308 1.111 11.307 134 HA PRO 17 HA PRO 17 6.495 5.298 6.549 135 HB2 PRO 17 2HB PRO 17 8.832 4.872 7.899 136 HB3 PRO 17 1HB PRO 17 7.769 6.251 8.197 137 HG2 PRO 17 2HG PRO 17 8.002 3.679 9.708 138 HG3 PRO 17 1HG PRO 17 7.838 5.331 10.330 139 HD2 PRO 17 2HD PRO 17 5.748 3.636 10.216 140 HD3 PRO 17 1HD PRO 17 5.557 5.381 9.956 141 H SER 18 H SER 18 7.021 2.213 8.198 142 HA SER 18 HA SER 18 8.862 1.160 6.324 143 HB2 SER 18 2HB SER 18 7.061 -0.130 8.373 144 HB3 SER 18 1HB SER 18 8.140 -1.070 7.343 145 HG SER 18 HG SER 18 9.887 0.043 8.224 146 H ALA 19 H ALA 19 5.384 1.325 6.428 147 HA ALA 19 HA ALA 19 5.073 -0.557 4.235 148 HB1 ALA 19 1HB ALA 19 3.043 1.085 5.745 149 HB2 ALA 19 2HB ALA 19 3.423 -0.618 5.999 150 HB3 ALA 19 3HB ALA 19 2.662 -0.101 4.495 151 H TYR 20 H TYR 20 5.025 2.896 4.810 152 HA TYR 20 HA TYR 20 3.884 3.652 2.326 153 HB2 TYR 20 2HB TYR 20 3.906 5.183 4.222 154 HB3 TYR 20 1HB TYR 20 5.666 5.199 4.220 155 HD1 TYR 20 1HD TYR 20 2.748 6.006 2.040 156 HD2 TYR 20 2HD TYR 20 6.792 6.858 3.048 157 HE1 TYR 20 1HE TYR 20 2.722 7.922 0.497 158 HE2 TYR 20 2HE TYR 20 6.779 8.776 1.509 159 HH TYR 20 HH TYR 20 5.513 9.503 -0.517 160 H TYR 21 H TYR 21 7.181 3.077 3.414 161 HA TYR 21 HA TYR 21 8.500 4.124 1.152 162 HB2 TYR 21 2HB TYR 21 9.215 2.419 3.454 163 HB3 TYR 21 1HB TYR 21 10.219 2.208 2.023 164 HD1 TYR 21 1HD TYR 21 8.812 4.939 4.152 165 HD2 TYR 21 2HD TYR 21 12.060 3.579 1.764 166 HE1 TYR 21 1HE TYR 21 10.094 6.948 4.762 167 HE2 TYR 21 2HE TYR 21 13.351 5.584 2.368 168 HH TYR 21 HH TYR 21 11.985 8.291 3.789 169 H LEU 22 H LEU 22 6.847 1.129 1.715 170 HA LEU 22 HA LEU 22 7.988 -0.080 -0.686 171 HB2 LEU 22 2HB LEU 22 5.944 -1.273 1.179 172 HB3 LEU 22 1HB LEU 22 6.931 -2.115 0.000 173 HG LEU 22 HG LEU 22 8.021 -0.738 2.454 174 HD11 LEU 22 1HD1 LEU 22 7.313 -3.614 1.935 175 HD12 LEU 22 2HD1 LEU 22 6.730 -2.565 3.227 176 HD13 LEU 22 3HD1 LEU 22 8.408 -3.106 3.219 177 HD21 LEU 22 3HD2 LEU 22 9.380 -1.236 0.219 178 HD22 LEU 22 1HD2 LEU 22 9.503 -2.826 0.970 179 HD23 LEU 22 2HD2 LEU 22 10.097 -1.401 1.821 180 H LEU 23 H LEU 23 5.037 1.357 0.499 181 HA LEU 23 HA LEU 23 3.502 0.510 -1.811 182 HB2 LEU 23 2HB LEU 23 2.840 2.284 0.535 183 HB3 LEU 23 1HB LEU 23 1.716 1.941 -0.766 184 HG LEU 23 HG LEU 23 2.936 -0.189 0.988 185 HD11 LEU 23 1HD1 LEU 23 1.623 0.744 2.566 186 HD12 LEU 23 2HD1 LEU 23 0.352 -0.133 1.713 187 HD13 LEU 23 3HD1 LEU 23 0.612 1.582 1.390 188 HD21 LEU 23 3HD2 LEU 23 1.742 -1.700 -0.178 189 HD22 LEU 23 1HD2 LEU 23 1.810 -0.479 -1.449 190 HD23 LEU 23 2HD2 LEU 23 0.385 -0.601 -0.420 191 H VAL 24 H VAL 24 5.253 3.316 -0.713 192 HA VAL 24 HA VAL 24 4.144 5.284 -2.352 193 HB VAL 24 HB VAL 24 5.723 5.792 -0.545 194 HG11 VAL 24 1HG1 VAL 24 7.896 5.128 -0.469 195 HG12 VAL 24 2HG1 VAL 24 8.071 5.118 -2.224 196 HG13 VAL 24 3HG1 VAL 24 7.245 3.788 -1.412 197 HG21 VAL 24 3HG2 VAL 24 7.182 6.877 -2.862 198 HG22 VAL 24 1HG2 VAL 24 6.404 7.710 -1.515 199 HG23 VAL 24 2HG2 VAL 24 5.437 7.128 -2.870 200 H GLY 25 H GLY 25 6.410 2.724 -3.076 201 HA2 GLY 25 2HA GLY 25 7.164 3.824 -5.638 202 HA3 GLY 25 1HA GLY 25 7.610 2.247 -5.005 203 H HIS 26 H HIS 26 4.926 1.373 -4.458 204 HA HIS 26 HA HIS 26 4.242 0.466 -7.102 205 HB2 HIS 26 2HB HIS 26 4.060 -0.684 -4.658 206 HB3 HIS 26 1HB HIS 26 2.405 -0.121 -4.859 207 HD1 HIS 26 1HD HIS 26 4.833 -1.810 -7.266 208 HD2 HIS 26 2HD HIS 26 0.967 -2.199 -5.793 209 HE1 HIS 26 1HE HIS 26 3.856 -3.792 -8.462 210 HE2 HIS 26 2HE HIS 26 1.482 -3.945 -7.632 211 H PHE 27 H PHE 27 3.245 3.026 -5.053 212 HA PHE 27 HA PHE 27 0.643 3.308 -6.322 213 HB2 PHE 27 2HB PHE 27 0.977 3.759 -3.880 214 HB3 PHE 27 1HB PHE 27 1.978 5.140 -4.319 215 HD1 PHE 27 1HD PHE 27 -1.419 3.734 -4.915 216 HD2 PHE 27 2HD PHE 27 0.999 7.213 -4.525 217 HE1 PHE 27 1HE PHE 27 -3.433 5.142 -5.049 218 HE2 PHE 27 2HE PHE 27 -1.011 8.629 -4.658 219 HZ PHE 27 HZ PHE 27 -3.230 7.594 -4.921 220 H ASN 28 H ASN 28 3.717 5.071 -6.124 221 HA ASN 28 HA ASN 28 3.009 7.260 -7.711 222 HB2 ASN 28 2HB ASN 28 5.193 6.679 -6.307 223 HB3 ASN 28 1HB ASN 28 5.785 6.186 -7.891 224 HD21 ASN 28 1HD2 ASN 28 6.210 8.529 -5.926 225 HD22 ASN 28 2HD2 ASN 28 6.190 9.911 -6.963 226 H GLU 29 H GLU 29 4.561 4.195 -8.639 227 HA GLU 29 HA GLU 29 4.811 4.741 -11.370 228 HB2 GLU 29 2HB GLU 29 5.598 2.707 -9.795 229 HB3 GLU 29 1HB GLU 29 4.216 1.947 -10.571 230 HG2 GLU 29 2HG GLU 29 5.941 1.358 -11.968 231 HG3 GLU 29 1HG GLU 29 5.295 2.790 -12.766 232 H GLY 30 H GLY 30 2.076 3.705 -9.473 233 HA2 GLY 30 2HA GLY 30 -0.161 4.044 -10.177 234 HA3 GLY 30 1HA GLY 30 0.386 4.003 -11.846 235 H LYS 31 H LYS 31 1.096 1.671 -9.287 236 HA LYS 31 HA LYS 31 0.156 -0.470 -11.004 237 HB2 LYS 31 2HB LYS 31 2.050 -0.210 -8.862 238 HB3 LYS 31 1HB LYS 31 0.911 -1.490 -8.471 239 HG2 LYS 31 2HG LYS 31 2.055 -1.477 -11.203 240 HG3 LYS 31 1HG LYS 31 3.120 -1.924 -9.869 241 HD2 LYS 31 2HD LYS 31 2.217 -3.954 -9.793 242 HD3 LYS 31 1HD LYS 31 0.618 -3.255 -9.530 243 HE2 LYS 31 2HE LYS 31 0.454 -4.591 -11.477 244 HE3 LYS 31 1HE LYS 31 0.482 -2.914 -12.022 245 HZ1 LYS 31 3HZ LYS 31 2.984 -3.301 -12.278 246 HZ2 LYS 31 1HZ LYS 31 1.955 -3.983 -13.434 247 HZ3 LYS 31 2HZ LYS 31 2.610 -4.949 -12.212 248 H PHE 32 H PHE 32 -0.446 0.505 -7.621 249 HA PHE 32 HA PHE 32 -3.097 -0.760 -7.838 250 HB2 PHE 32 2HB PHE 32 -3.053 -1.168 -5.497 251 HB3 PHE 32 1HB PHE 32 -1.469 -1.640 -6.100 252 HD1 PHE 32 2HD PHE 32 0.447 0.013 -5.828 253 HD2 PHE 32 1HD PHE 32 -3.265 0.386 -3.779 254 HE1 PHE 32 2HE PHE 32 1.511 1.494 -4.175 255 HE2 PHE 32 1HE PHE 32 -2.207 1.867 -2.125 256 HZ PHE 32 HZ PHE 32 0.184 2.422 -2.321 257 H SER 33 H SER 33 -4.880 0.292 -6.735 258 HA SER 33 HA SER 33 -4.629 3.216 -6.861 259 HB2 SER 33 2HB SER 33 -6.369 1.794 -8.234 260 HB3 SER 33 1HB SER 33 -7.274 1.820 -6.722 261 HG SER 33 HG SER 33 -6.321 4.096 -8.126 262 H LEU 34 H LEU 34 -5.735 4.512 -5.271 263 HA LEU 34 HA LEU 34 -5.199 3.741 -2.632 264 HB2 LEU 34 2HB LEU 34 -6.527 6.009 -3.967 265 HB3 LEU 34 1HB LEU 34 -7.022 5.732 -2.309 266 HG LEU 34 HG LEU 34 -4.198 6.222 -3.257 267 HD11 LEU 34 1HD1 LEU 34 -4.367 8.369 -2.440 268 HD12 LEU 34 2HD1 LEU 34 -5.733 7.977 -1.393 269 HD13 LEU 34 3HD1 LEU 34 -5.970 8.124 -3.135 270 HD21 LEU 34 3HD2 LEU 34 -4.006 4.785 -1.409 271 HD22 LEU 34 1HD2 LEU 34 -5.339 5.566 -0.557 272 HD23 LEU 34 2HD2 LEU 34 -3.801 6.408 -0.749 273 H ILE 35 H ILE 35 -8.224 3.768 -4.470 274 HA ILE 35 HA ILE 35 -9.985 3.111 -2.415 275 HB ILE 35 HB ILE 35 -10.727 3.805 -4.650 276 HG12 ILE 35 2HG1 ILE 35 -11.982 1.136 -4.462 277 HG13 ILE 35 1HG1 ILE 35 -11.976 2.069 -2.969 278 HG21 ILE 35 1HG2 ILE 35 -10.694 2.305 -6.530 279 HG22 ILE 35 2HG2 ILE 35 -9.964 1.033 -5.553 280 HG23 ILE 35 3HG2 ILE 35 -9.051 2.496 -5.919 281 HD11 ILE 35 3HD1 ILE 35 -13.656 3.312 -3.687 282 HD12 ILE 35 1HD1 ILE 35 -13.767 2.263 -5.100 283 HD13 ILE 35 2HD1 ILE 35 -12.786 3.727 -5.163 284 H GLU 36 H GLU 36 -7.722 1.129 -4.169 285 HA GLU 36 HA GLU 36 -8.867 -1.383 -3.427 286 HB2 GLU 36 2HB GLU 36 -6.058 -0.748 -4.353 287 HB3 GLU 36 1HB GLU 36 -6.785 -2.349 -4.284 288 HG2 GLU 36 2HG GLU 36 -8.548 -1.421 -5.880 289 HG3 GLU 36 1HG GLU 36 -7.434 -0.076 -6.125 290 H LEU 37 H LEU 37 -6.249 0.638 -2.171 291 HA LEU 37 HA LEU 37 -5.373 -1.191 -0.195 292 HB2 LEU 37 2HB LEU 37 -4.060 0.747 -1.057 293 HB3 LEU 37 1HB LEU 37 -5.131 1.817 -0.173 294 HG LEU 37 HG LEU 37 -4.413 0.707 1.942 295 HD11 LEU 37 1HD1 LEU 37 -2.576 -0.736 0.051 296 HD12 LEU 37 2HD1 LEU 37 -3.693 -1.423 1.229 297 HD13 LEU 37 3HD1 LEU 37 -2.242 -0.581 1.776 298 HD21 LEU 37 3HD2 LEU 37 -2.655 2.282 0.161 299 HD22 LEU 37 1HD2 LEU 37 -1.905 1.564 1.587 300 HD23 LEU 37 2HD2 LEU 37 -3.276 2.658 1.769 301 H ILE 38 H ILE 38 -7.694 1.478 -0.153 302 HA ILE 38 HA ILE 38 -8.210 1.448 2.617 303 HB ILE 38 HB ILE 38 -10.107 2.266 0.413 304 HG12 ILE 38 2HG1 ILE 38 -8.276 4.079 1.978 305 HG13 ILE 38 1HG1 ILE 38 -7.783 3.353 0.451 306 HG21 ILE 38 1HG2 ILE 38 -10.841 3.859 2.328 307 HG22 ILE 38 2HG2 ILE 38 -10.076 2.663 3.375 308 HG23 ILE 38 3HG2 ILE 38 -11.408 2.188 2.322 309 HD11 ILE 38 3HD1 ILE 38 -10.225 5.074 0.786 310 HD12 ILE 38 1HD1 ILE 38 -9.522 4.490 -0.723 311 HD13 ILE 38 2HD1 ILE 38 -8.651 5.668 0.258 312 H LYS 39 H LYS 39 -9.880 -0.127 -0.099 313 HA LYS 39 HA LYS 39 -11.904 -1.351 1.410 314 HB2 LYS 39 2HB LYS 39 -10.659 -1.979 -1.253 315 HB3 LYS 39 1HB LYS 39 -11.909 -3.009 -0.571 316 HG2 LYS 39 2HG LYS 39 -13.547 -1.435 -0.837 317 HG3 LYS 39 1HG LYS 39 -12.416 -0.084 -0.744 318 HD2 LYS 39 2HD LYS 39 -12.688 0.006 -2.975 319 HD3 LYS 39 1HD LYS 39 -11.556 -1.348 -2.994 320 HE2 LYS 39 2HE LYS 39 -13.295 -2.143 -4.294 321 HE3 LYS 39 1HE LYS 39 -13.686 -2.801 -2.706 322 HZ1 LYS 39 3HZ LYS 39 -15.082 -0.688 -2.451 323 HZ2 LYS 39 1HZ LYS 39 -15.679 -1.918 -3.447 324 HZ3 LYS 39 2HZ LYS 39 -14.956 -0.552 -4.133 325 H PHE 40 H PHE 40 -8.585 -2.241 0.813 326 HA PHE 40 HA PHE 40 -8.826 -4.945 1.701 327 HB2 PHE 40 2HB PHE 40 -6.999 -4.011 0.205 328 HB3 PHE 40 1HB PHE 40 -6.301 -3.290 1.651 329 HD1 PHE 40 1HD PHE 40 -7.430 -6.570 0.299 330 HD2 PHE 40 2HD PHE 40 -4.775 -4.492 2.896 331 HE1 PHE 40 1HE PHE 40 -6.249 -8.677 0.771 332 HE2 PHE 40 2HE PHE 40 -3.589 -6.594 3.372 333 HZ PHE 40 HZ PHE 40 -4.325 -8.690 2.309 334 H ALA 41 H ALA 41 -7.825 -1.908 3.212 335 HA ALA 41 HA ALA 41 -7.186 -3.138 5.724 336 HB1 ALA 41 1HB ALA 41 -6.139 -1.031 4.871 337 HB2 ALA 41 2HB ALA 41 -6.754 -0.932 6.520 338 HB3 ALA 41 3HB ALA 41 -7.668 -0.214 5.194 339 H LYS 42 H LYS 42 -9.940 -1.387 4.385 340 HA LYS 42 HA LYS 42 -11.403 -1.085 6.763 341 HB2 LYS 42 2HB LYS 42 -11.792 -0.067 4.405 342 HB3 LYS 42 1HB LYS 42 -12.724 -1.526 4.105 343 HG2 LYS 42 2HG LYS 42 -14.184 -0.999 5.978 344 HG3 LYS 42 1HG LYS 42 -13.234 0.448 6.321 345 HD2 LYS 42 2HD LYS 42 -14.147 0.277 3.550 346 HD3 LYS 42 1HD LYS 42 -15.464 0.339 4.724 347 HE2 LYS 42 2HE LYS 42 -13.167 2.252 4.903 348 HE3 LYS 42 1HE LYS 42 -14.497 2.552 3.786 349 HZ1 LYS 42 3HZ LYS 42 -14.537 3.450 6.237 350 HZ2 LYS 42 1HZ LYS 42 -15.158 1.909 6.563 351 HZ3 LYS 42 2HZ LYS 42 -15.953 2.930 5.473 352 H SER 43 H SER 43 -11.146 -3.749 4.486 353 HA SER 43 HA SER 43 -13.307 -5.277 5.485 354 HB2 SER 43 2HB SER 43 -10.810 -6.178 4.027 355 HB3 SER 43 1HB SER 43 -12.252 -7.163 4.282 356 HG SER 43 HG SER 43 -13.386 -5.395 3.153 357 H ARG 44 H ARG 44 -9.956 -4.950 6.430 358 HA ARG 44 HA ARG 44 -10.040 -7.205 8.233 359 HB2 ARG 44 2HB ARG 44 -7.992 -5.112 7.573 360 HB3 ARG 44 1HB ARG 44 -7.778 -6.170 8.960 361 HG2 ARG 44 2HG ARG 44 -8.296 -8.026 7.128 362 HG3 ARG 44 1HG ARG 44 -7.637 -6.778 6.069 363 HD2 ARG 44 2HD ARG 44 -5.563 -7.218 6.737 364 HD3 ARG 44 1HD ARG 44 -6.018 -7.044 8.432 365 HE ARG 44 HE ARG 44 -5.698 -9.495 6.961 366 HH11 ARG 44 1HH1 ARG 44 -7.225 -7.988 9.715 367 HH12 ARG 44 2HH1 ARG 44 -7.401 -9.472 10.588 368 HH21 ARG 44 1HH2 ARG 44 -5.930 -11.449 8.109 369 HH22 ARG 44 2HH2 ARG 44 -6.665 -11.437 9.677 370 H GLU 45 H GLU 45 -11.236 -4.099 8.378 371 HA GLU 45 HA GLU 45 -12.064 -2.808 10.053 372 HB2 GLU 45 2HB GLU 45 -11.881 -5.500 11.314 373 HB3 GLU 45 1HB GLU 45 -12.173 -4.122 12.367 374 HG2 GLU 45 2HG GLU 45 -14.285 -3.895 11.683 375 HG3 GLU 45 1HG GLU 45 -13.870 -4.171 9.991 376 H THR 46 H THR 46 -9.579 -2.151 9.512 377 HA THR 46 HA THR 46 -8.539 -1.299 12.072 378 HB THR 46 HB THR 46 -7.347 -3.378 11.916 379 HG1 THR 46 1HG THR 46 -5.161 -2.505 11.656 380 HG21 THR 46 3HG2 THR 46 -7.692 -3.580 9.406 381 HG22 THR 46 1HG2 THR 46 -6.130 -4.113 10.025 382 HG23 THR 46 2HG2 THR 46 -6.274 -2.546 9.229 383 H PHE 47 H PHE 47 -7.779 0.716 11.920 384 HA PHE 47 HA PHE 47 -7.431 1.855 9.244 385 HB2 PHE 47 2HB PHE 47 -7.499 4.051 10.500 386 HB3 PHE 47 1HB PHE 47 -8.978 3.098 10.558 387 HD1 PHE 47 1HD PHE 47 -5.920 3.926 12.480 388 HD2 PHE 47 2HD PHE 47 -9.921 2.484 12.599 389 HE1 PHE 47 1HE PHE 47 -5.876 4.020 14.939 390 HE2 PHE 47 2HE PHE 47 -9.885 2.575 15.058 391 HZ PHE 47 HZ PHE 47 -7.860 3.344 16.230 392 H ILE 48 H ILE 48 -5.400 0.170 10.544 393 HA ILE 48 HA ILE 48 -3.201 2.130 10.566 394 HB ILE 48 HB ILE 48 -3.261 -0.397 12.217 395 HG12 ILE 48 2HG1 ILE 48 -3.263 2.228 13.570 396 HG13 ILE 48 1HG1 ILE 48 -4.764 1.814 12.747 397 HG21 ILE 48 1HG2 ILE 48 -1.394 1.931 12.521 398 HG22 ILE 48 2HG2 ILE 48 -1.053 0.610 11.403 399 HG23 ILE 48 3HG2 ILE 48 -1.220 0.285 13.129 400 HD11 ILE 48 3HD1 ILE 48 -3.586 -0.287 14.445 401 HD12 ILE 48 1HD1 ILE 48 -5.271 0.183 14.212 402 HD13 ILE 48 2HD1 ILE 48 -4.230 1.134 15.271 403 H ILE 49 H ILE 49 -2.638 1.786 8.432 404 HA ILE 49 HA ILE 49 -2.295 -0.831 7.330 405 HB ILE 49 HB ILE 49 -1.189 1.761 6.252 406 HG12 ILE 49 2HG1 ILE 49 -3.843 0.491 5.568 407 HG13 ILE 49 1HG1 ILE 49 -3.673 1.798 6.736 408 HG21 ILE 49 1HG2 ILE 49 -1.384 -1.003 5.260 409 HG22 ILE 49 2HG2 ILE 49 -0.235 0.273 4.856 410 HG23 ILE 49 3HG2 ILE 49 -1.832 0.257 4.108 411 HD11 ILE 49 3HD1 ILE 49 -2.599 2.126 3.973 412 HD12 ILE 49 1HD1 ILE 49 -3.154 3.348 5.118 413 HD13 ILE 49 2HD1 ILE 49 -4.323 2.324 4.285 414 H ASP 50 H ASP 50 -0.845 -1.923 8.670 415 HA ASP 50 HA ASP 50 1.865 -0.832 8.888 416 HB2 ASP 50 2HB ASP 50 2.192 -2.799 10.463 417 HB3 ASP 50 1HB ASP 50 1.042 -1.574 10.993 418 H ASP 51 H ASP 51 3.485 -2.920 8.994 419 HA ASP 51 HA ASP 51 3.956 -3.632 6.360 420 HB2 ASP 51 2HB ASP 51 5.349 -3.886 8.665 421 HB3 ASP 51 1HB ASP 51 4.882 -5.564 8.402 422 H GLU 52 H GLU 52 2.074 -5.295 8.818 423 HA GLU 52 HA GLU 52 1.763 -7.749 7.472 424 HB2 GLU 52 2HB GLU 52 0.159 -6.341 9.591 425 HB3 GLU 52 1HB GLU 52 -0.371 -7.876 8.918 426 HG2 GLU 52 2HG GLU 52 2.421 -7.842 9.789 427 HG3 GLU 52 1HG GLU 52 1.248 -7.588 11.079 428 H ILE 53 H ILE 53 -0.228 -4.812 7.504 429 HA ILE 53 HA ILE 53 -2.184 -5.878 5.706 430 HB ILE 53 HB ILE 53 -1.697 -2.968 6.331 431 HG12 ILE 53 2HG1 ILE 53 -1.934 -4.303 8.406 432 HG13 ILE 53 1HG1 ILE 53 -3.288 -3.203 8.158 433 HG21 ILE 53 1HG2 ILE 53 -3.250 -2.854 4.692 434 HG22 ILE 53 2HG2 ILE 53 -4.347 -3.208 6.027 435 HG23 ILE 53 3HG2 ILE 53 -3.812 -4.504 4.958 436 HD11 ILE 53 3HD1 ILE 53 -4.759 -4.913 7.702 437 HD12 ILE 53 1HD1 ILE 53 -3.720 -5.635 8.930 438 HD13 ILE 53 2HD1 ILE 53 -3.478 -6.030 7.227 439 H ALA 54 H ALA 54 0.623 -3.755 5.391 440 HA ALA 54 HA ALA 54 0.199 -3.123 2.653 441 HB1 ALA 54 1HB ALA 54 1.568 -1.740 4.160 442 HB2 ALA 54 2HB ALA 54 2.442 -2.209 2.701 443 HB3 ALA 54 3HB ALA 54 2.770 -3.030 4.227 444 H ASN 55 H ASN 55 2.324 -5.454 4.297 445 HA ASN 55 HA ASN 55 3.483 -6.511 1.953 446 HB2 ASN 55 2HB ASN 55 4.292 -6.774 4.360 447 HB3 ASN 55 1HB ASN 55 3.083 -8.044 4.521 448 HD21 ASN 55 1HD2 ASN 55 6.108 -7.960 4.492 449 HD22 ASN 55 2HD2 ASN 55 6.549 -9.196 3.370 450 H GLU 56 H GLU 56 0.667 -7.494 3.861 451 HA GLU 56 HA GLU 56 0.100 -9.836 2.376 452 HB2 GLU 56 2HB GLU 56 -1.535 -8.107 4.217 453 HB3 GLU 56 1HB GLU 56 -2.240 -9.491 3.392 454 HG2 GLU 56 2HG GLU 56 0.190 -9.669 5.151 455 HG3 GLU 56 1HG GLU 56 -1.458 -9.913 5.729 456 H PHE 57 H PHE 57 -0.781 -6.468 1.991 457 HA PHE 57 HA PHE 57 -2.866 -6.781 0.135 458 HB2 PHE 57 2HB PHE 57 -2.367 -4.663 1.316 459 HB3 PHE 57 1HB PHE 57 -0.899 -4.493 0.358 460 HD1 PHE 57 1HD PHE 57 -4.503 -5.215 -0.310 461 HD2 PHE 57 2HD PHE 57 -1.042 -2.957 -1.326 462 HE1 PHE 57 1HE PHE 57 -5.785 -4.043 -2.054 463 HE2 PHE 57 2HE PHE 57 -2.317 -1.780 -3.072 464 HZ PHE 57 HZ PHE 57 -4.692 -2.323 -3.437 465 H LEU 58 H LEU 58 0.565 -6.000 -0.455 466 HA LEU 58 HA LEU 58 0.424 -6.185 -3.253 467 HB2 LEU 58 2HB LEU 58 2.809 -6.657 -1.465 468 HB3 LEU 58 1HB LEU 58 2.868 -6.326 -3.186 469 HG LEU 58 HG LEU 58 1.869 -4.418 -1.069 470 HD11 LEU 58 1HD1 LEU 58 4.239 -4.636 -0.888 471 HD12 LEU 58 2HD1 LEU 58 3.897 -3.120 -1.724 472 HD13 LEU 58 3HD1 LEU 58 4.437 -4.530 -2.637 473 HD21 LEU 58 3HD2 LEU 58 0.752 -4.211 -3.279 474 HD22 LEU 58 1HD2 LEU 58 2.335 -3.941 -4.008 475 HD23 LEU 58 2HD2 LEU 58 1.702 -2.794 -2.829 476 H LYS 59 H LYS 59 0.852 -8.601 -0.771 477 HA LYS 59 HA LYS 59 1.792 -10.678 -2.469 478 HB2 LYS 59 2HB LYS 59 1.312 -10.332 0.293 479 HB3 LYS 59 1HB LYS 59 0.338 -11.707 -0.209 480 HG2 LYS 59 2HG LYS 59 2.139 -12.981 -0.094 481 HG3 LYS 59 1HG LYS 59 2.853 -12.048 -1.409 482 HD2 LYS 59 2HD LYS 59 3.378 -10.381 0.604 483 HD3 LYS 59 1HD LYS 59 3.327 -11.892 1.515 484 HE2 LYS 59 2HE LYS 59 4.861 -12.715 -0.481 485 HE3 LYS 59 1HE LYS 59 5.230 -10.994 -0.586 486 HZ1 LYS 59 3HZ LYS 59 5.324 -12.167 2.073 487 HZ2 LYS 59 1HZ LYS 59 6.345 -11.023 1.355 488 HZ3 LYS 59 2HZ LYS 59 6.534 -12.666 1.002 489 H SER 60 H SER 60 -1.376 -9.504 -1.576 490 HA SER 60 HA SER 60 -2.831 -11.755 -2.553 491 HB2 SER 60 2HB SER 60 -3.709 -8.909 -2.011 492 HB3 SER 60 1HB SER 60 -4.804 -10.240 -2.389 493 HG SER 60 HG SER 60 -2.977 -10.338 -0.231 494 H ILE 61 H ILE 61 -2.019 -8.572 -3.891 495 HA ILE 61 HA ILE 61 -3.357 -9.070 -6.378 496 HB ILE 61 HB ILE 61 -2.261 -6.991 -7.144 497 HG12 ILE 61 2HG1 ILE 61 -1.071 -6.883 -4.366 498 HG13 ILE 61 1HG1 ILE 61 -0.164 -7.330 -5.808 499 HG21 ILE 61 1HG2 ILE 61 -4.396 -7.053 -5.801 500 HG22 ILE 61 2HG2 ILE 61 -3.522 -5.521 -5.785 501 HG23 ILE 61 3HG2 ILE 61 -3.425 -6.607 -4.398 502 HD11 ILE 61 3HD1 ILE 61 0.271 -5.197 -6.166 503 HD12 ILE 61 1HD1 ILE 61 -0.700 -4.746 -4.765 504 HD13 ILE 61 2HD1 ILE 61 -1.454 -4.881 -6.354 505 H GLY 62 H GLY 62 -0.122 -9.489 -5.132 506 HA2 GLY 62 2HA GLY 62 1.444 -10.997 -6.047 507 HA3 GLY 62 1HA GLY 62 0.590 -10.921 -7.580 508 H ALA 63 H ALA 63 2.028 -8.433 -5.473 509 HA ALA 63 HA ALA 63 3.377 -7.337 -7.838 510 HB1 ALA 63 1HB ALA 63 2.093 -5.660 -6.828 511 HB2 ALA 63 2HB ALA 63 3.738 -5.345 -6.277 512 HB3 ALA 63 3HB ALA 63 2.585 -6.137 -5.202 513 H GLU 64 H GLU 64 3.951 -8.683 -4.666 514 HA GLU 64 HA GLU 64 6.734 -7.990 -4.586 515 HB2 GLU 64 2HB GLU 64 5.154 -9.990 -2.962 516 HB3 GLU 64 1HB GLU 64 6.808 -9.499 -2.625 517 HG2 GLU 64 2HG GLU 64 6.176 -7.373 -1.952 518 HG3 GLU 64 1HG GLU 64 4.621 -7.467 -2.777 519 H VAL 65 H VAL 65 7.763 -8.788 -6.384 520 HA VAL 65 HA VAL 65 8.724 -11.418 -6.301 521 HB VAL 65 HB VAL 65 6.466 -12.036 -7.041 522 HG11 VAL 65 1HG1 VAL 65 5.406 -11.197 -8.901 523 HG12 VAL 65 2HG1 VAL 65 6.913 -10.703 -9.672 524 HG13 VAL 65 3HG1 VAL 65 6.262 -9.765 -8.327 525 HG21 VAL 65 3HG2 VAL 65 7.159 -13.219 -9.178 526 HG22 VAL 65 1HG2 VAL 65 8.158 -13.514 -7.755 527 HG23 VAL 65 2HG2 VAL 65 8.712 -12.402 -9.006 528 H GLU 66 H GLU 66 10.719 -10.981 -6.964 529 HA GLU 66 HA GLU 66 11.354 -10.309 -9.602 530 HB2 GLU 66 2HB GLU 66 10.502 -8.064 -8.372 531 HB3 GLU 66 1HB GLU 66 12.206 -8.008 -7.944 532 HG2 GLU 66 2HG GLU 66 12.463 -8.506 -10.544 533 HG3 GLU 66 1HG GLU 66 10.894 -7.700 -10.575 534 H LEU 67 H LEU 67 12.366 -10.122 -6.235 535 HA LEU 67 HA LEU 67 15.020 -11.111 -7.046 536 HB2 LEU 67 2HB LEU 67 14.270 -8.886 -5.381 537 HB3 LEU 67 1HB LEU 67 15.209 -10.038 -4.451 538 HG LEU 67 HG LEU 67 16.706 -8.408 -5.362 539 HD11 LEU 67 1HD1 LEU 67 17.075 -11.058 -5.609 540 HD12 LEU 67 2HD1 LEU 67 18.288 -9.858 -6.054 541 HD13 LEU 67 3HD1 LEU 67 17.252 -10.565 -7.293 542 HD21 LEU 67 3HD2 LEU 67 16.819 -8.528 -8.033 543 HD22 LEU 67 1HD2 LEU 67 15.835 -7.349 -7.163 544 HD23 LEU 67 2HD2 LEU 67 15.093 -8.816 -7.805 545 HA PRO 68 HA PRO 68 13.341 -14.599 -4.655 546 HB2 PRO 68 2HB PRO 68 15.168 -16.408 -5.529 547 HB3 PRO 68 1HB PRO 68 13.740 -15.955 -6.465 548 HG2 PRO 68 2HG PRO 68 16.562 -14.995 -6.730 549 HG3 PRO 68 1HG PRO 68 15.410 -15.447 -8.001 550 HD2 PRO 68 2HD PRO 68 15.909 -12.870 -7.341 551 HD3 PRO 68 1HD PRO 68 14.319 -13.417 -7.910 552 H GLN 69 H GLN 69 13.931 -15.412 -2.702 553 HA GLN 69 HA GLN 69 16.459 -14.455 -1.594 554 HB2 GLN 69 2HB GLN 69 13.845 -14.654 -0.580 555 HB3 GLN 69 1HB GLN 69 14.784 -15.848 0.303 556 HG2 GLN 69 2HG GLN 69 16.140 -13.285 0.053 557 HG3 GLN 69 1HG GLN 69 14.595 -13.181 0.897 558 HE21 GLN 69 1HE2 GLN 69 17.821 -14.430 0.961 559 HE22 GLN 69 2HE2 GLN 69 17.806 -14.967 2.603 560 H GLU 70 H GLU 70 14.712 -17.425 -2.267 561 HA GLU 70 HA GLU 70 17.069 -18.957 -1.383 562 HB2 GLU 70 2HB GLU 70 14.140 -19.585 -1.337 563 HB3 GLU 70 1HB GLU 70 15.311 -20.894 -1.420 564 HG2 GLU 70 2HG GLU 70 16.331 -19.431 0.612 565 HG3 GLU 70 1HG GLU 70 14.606 -19.125 0.810 566 H ILE 71 H ILE 71 18.112 -20.201 -2.824 567 HA ILE 71 HA ILE 71 16.826 -20.791 -5.393 568 HB ILE 71 HB ILE 71 19.029 -20.275 -6.529 569 HG12 ILE 71 2HG1 ILE 71 19.523 -18.586 -4.074 570 HG13 ILE 71 1HG1 ILE 71 20.289 -20.150 -4.330 571 HG21 ILE 71 1HG2 ILE 71 17.036 -18.359 -5.510 572 HG22 ILE 71 2HG2 ILE 71 17.531 -18.716 -7.165 573 HG23 ILE 71 3HG2 ILE 71 18.519 -17.657 -6.158 574 HD11 ILE 71 3HD1 ILE 71 21.655 -19.364 -5.970 575 HD12 ILE 71 1HD1 ILE 71 21.471 -17.903 -5.002 576 HD13 ILE 71 2HD1 ILE 71 20.521 -18.111 -6.471 577 H LYS 72 H LYS 72 17.383 -22.731 -6.287 578 HA LYS 72 HA LYS 72 19.441 -24.309 -4.893 579 HB2 LYS 72 2HB LYS 72 16.761 -24.796 -4.682 580 HB3 LYS 72 1HB LYS 72 17.194 -25.829 -6.037 581 HG2 LYS 72 2HG LYS 72 17.652 -27.318 -4.426 582 HG3 LYS 72 1HG LYS 72 19.177 -26.438 -4.313 583 HD2 LYS 72 2HD LYS 72 18.063 -24.974 -2.583 584 HD3 LYS 72 1HD LYS 72 16.728 -26.129 -2.587 585 HE2 LYS 72 2HE LYS 72 17.853 -27.555 -1.297 586 HE3 LYS 72 1HE LYS 72 19.284 -27.458 -2.322 587 HZ1 LYS 72 3HZ LYS 72 18.781 -25.157 -0.626 588 HZ2 LYS 72 1HZ LYS 72 20.238 -25.932 -0.996 589 HZ3 LYS 72 2HZ LYS 72 19.211 -26.578 0.183 Start of MODEL 11 1 H MET 1 H MET 1 4.385 18.280 -1.044 2 HA MET 1 HA MET 1 3.647 16.430 0.058 3 HB2 MET 1 2HB MET 1 1.589 18.248 -1.084 4 HB3 MET 1 1HB MET 1 1.009 16.837 -0.212 5 HG2 MET 1 2HG MET 1 1.639 17.644 1.784 6 HG3 MET 1 1HG MET 1 3.117 18.362 1.146 7 HE1 MET 1 2HE MET 1 -0.909 20.399 0.248 8 HE2 MET 1 3HE MET 1 -0.841 18.789 0.966 9 HE3 MET 1 1HE MET 1 -0.204 19.060 -0.655 10 H ASP 2 H ASP 2 2.836 14.367 0.100 11 HA ASP 2 HA ASP 2 2.415 13.124 -2.501 12 HB2 ASP 2 2HB ASP 2 2.677 11.844 0.228 13 HB3 ASP 2 1HB ASP 2 2.687 11.003 -1.320 14 H GLU 3 H GLU 3 0.531 12.295 -3.201 15 HA GLU 3 HA GLU 3 -1.879 13.013 -1.843 16 HB2 GLU 3 2HB GLU 3 -1.152 11.797 -4.440 17 HB3 GLU 3 1HB GLU 3 -2.741 11.378 -3.815 18 HG2 GLU 3 2HG GLU 3 -1.890 14.235 -3.908 19 HG3 GLU 3 1HG GLU 3 -2.450 13.431 -5.375 20 H PHE 4 H PHE 4 0.103 10.179 -1.974 21 HA PHE 4 HA PHE 4 -1.746 8.190 -1.349 22 HB2 PHE 4 2HB PHE 4 0.699 7.898 -1.964 23 HB3 PHE 4 1HB PHE 4 1.081 8.296 -0.292 24 HD1 PHE 4 1HD PHE 4 -1.311 6.058 -2.089 25 HD2 PHE 4 2HD PHE 4 1.530 6.500 1.048 26 HE1 PHE 4 1HE PHE 4 -1.644 3.702 -1.458 27 HE2 PHE 4 2HE PHE 4 1.203 4.147 1.683 28 HZ PHE 4 HZ PHE 4 -0.385 2.744 0.429 29 H VAL 5 H VAL 5 0.440 9.817 0.959 30 HA VAL 5 HA VAL 5 -0.897 8.870 3.252 31 HB VAL 5 HB VAL 5 0.365 10.600 4.488 32 HG11 VAL 5 1HG1 VAL 5 2.347 9.484 4.332 33 HG12 VAL 5 2HG1 VAL 5 2.340 9.495 2.568 34 HG13 VAL 5 3HG1 VAL 5 1.316 8.359 3.446 35 HG21 VAL 5 3HG2 VAL 5 0.496 12.499 3.202 36 HG22 VAL 5 1HG2 VAL 5 0.853 11.604 1.724 37 HG23 VAL 5 2HG2 VAL 5 2.104 11.820 2.948 38 H LYS 6 H LYS 6 -1.208 11.851 1.384 39 HA LYS 6 HA LYS 6 -2.917 13.213 3.161 40 HB2 LYS 6 2HB LYS 6 -2.043 13.514 0.370 41 HB3 LYS 6 1HB LYS 6 -3.639 14.173 0.701 42 HG2 LYS 6 2HG LYS 6 -1.497 14.862 2.615 43 HG3 LYS 6 1HG LYS 6 -1.392 15.573 1.004 44 HD2 LYS 6 2HD LYS 6 -2.609 17.045 2.512 45 HD3 LYS 6 1HD LYS 6 -3.676 16.437 1.245 46 HE2 LYS 6 2HE LYS 6 -4.878 16.316 3.294 47 HE3 LYS 6 1HE LYS 6 -4.427 14.669 2.855 48 HZ1 LYS 6 3HZ LYS 6 -2.352 15.363 4.364 49 HZ2 LYS 6 1HZ LYS 6 -3.740 14.617 4.982 50 HZ3 LYS 6 2HZ LYS 6 -3.557 16.293 5.099 51 H GLY 7 H GLY 7 -3.664 11.308 0.239 52 HA2 GLY 7 2HA GLY 7 -6.449 11.519 0.386 53 HA3 GLY 7 1HA GLY 7 -5.575 10.212 -0.400 54 H LEU 8 H LEU 8 -4.253 9.253 1.957 55 HA LEU 8 HA LEU 8 -6.311 7.550 2.952 56 HB2 LEU 8 2HB LEU 8 -3.391 7.890 3.514 57 HB3 LEU 8 1HB LEU 8 -4.368 6.892 4.573 58 HG LEU 8 HG LEU 8 -4.378 6.404 1.615 59 HD11 LEU 8 1HD1 LEU 8 -2.621 4.567 2.443 60 HD12 LEU 8 2HD1 LEU 8 -2.183 5.890 3.524 61 HD13 LEU 8 3HD1 LEU 8 -2.141 6.128 1.777 62 HD21 LEU 8 3HD2 LEU 8 -5.151 4.278 2.183 63 HD22 LEU 8 1HD2 LEU 8 -5.985 5.343 3.313 64 HD23 LEU 8 2HD2 LEU 8 -4.585 4.414 3.848 65 H MET 9 H MET 9 -4.322 10.100 4.432 66 HA MET 9 HA MET 9 -5.418 9.973 7.000 67 HB2 MET 9 2HB MET 9 -3.427 11.405 5.862 68 HB3 MET 9 1HB MET 9 -4.658 12.653 5.999 69 HG2 MET 9 2HG MET 9 -4.626 12.631 8.283 70 HG3 MET 9 1HG MET 9 -4.082 10.958 8.370 71 HE1 MET 9 3HE MET 9 -2.028 10.412 6.904 72 HE2 MET 9 1HE MET 9 -0.871 10.538 8.229 73 HE3 MET 9 2HE MET 9 -0.599 11.430 6.731 74 H LYS 10 H LYS 10 -6.584 11.484 4.078 75 HA LYS 10 HA LYS 10 -8.534 13.150 5.305 76 HB2 LYS 10 2HB LYS 10 -8.028 12.179 2.518 77 HB3 LYS 10 1HB LYS 10 -9.554 12.969 2.893 78 HG2 LYS 10 2HG LYS 10 -8.273 14.918 3.741 79 HG3 LYS 10 1HG LYS 10 -6.793 14.127 3.195 80 HD2 LYS 10 2HD LYS 10 -8.929 14.314 1.182 81 HD3 LYS 10 1HD LYS 10 -8.248 15.859 1.697 82 HE2 LYS 10 2HE LYS 10 -6.004 15.048 1.174 83 HE3 LYS 10 1HE LYS 10 -6.676 13.497 0.675 84 HZ1 LYS 10 3HZ LYS 10 -6.179 15.483 -1.010 85 HZ2 LYS 10 1HZ LYS 10 -7.786 15.845 -0.626 86 HZ3 LYS 10 2HZ LYS 10 -7.390 14.333 -1.274 87 H ASN 11 H ASN 11 -8.481 9.821 4.248 88 HA ASN 11 HA ASN 11 -11.340 9.554 4.866 89 HB2 ASN 11 2HB ASN 11 -9.438 8.026 3.145 90 HB3 ASN 11 1HB ASN 11 -10.790 7.157 3.865 91 HD21 ASN 11 1HD2 ASN 11 -10.324 7.637 1.088 92 HD22 ASN 11 2HD2 ASN 11 -11.659 8.563 0.500 93 H GLY 12 H GLY 12 -9.225 9.818 6.892 94 HA2 GLY 12 2HA GLY 12 -8.650 8.884 8.909 95 HA3 GLY 12 1HA GLY 12 -10.115 7.926 8.742 96 H TYR 13 H TYR 13 -6.842 8.046 7.327 97 HA TYR 13 HA TYR 13 -6.503 5.223 7.983 98 HB2 TYR 13 2HB TYR 13 -6.479 6.364 5.203 99 HB3 TYR 13 1HB TYR 13 -5.510 4.947 5.597 100 HD1 TYR 13 2HD TYR 13 -6.757 2.947 6.662 101 HD2 TYR 13 1HD TYR 13 -8.716 6.116 4.608 102 HE1 TYR 13 2HE TYR 13 -8.721 1.506 6.327 103 HE2 TYR 13 1HE TYR 13 -10.686 4.685 4.267 104 HH TYR 13 HH TYR 13 -10.649 1.374 4.692 105 H LEU 14 H LEU 14 -4.518 4.812 8.721 106 HA LEU 14 HA LEU 14 -2.391 6.773 8.146 107 HB2 LEU 14 2HB LEU 14 -2.690 5.186 10.693 108 HB3 LEU 14 1HB LEU 14 -1.525 6.454 10.367 109 HG LEU 14 HG LEU 14 -4.504 6.919 10.470 110 HD11 LEU 14 1HD1 LEU 14 -2.409 7.136 12.614 111 HD12 LEU 14 2HD1 LEU 14 -3.926 6.237 12.652 112 HD13 LEU 14 3HD1 LEU 14 -3.944 8.002 12.684 113 HD21 LEU 14 3HD2 LEU 14 -2.117 8.597 9.989 114 HD22 LEU 14 1HD2 LEU 14 -3.380 9.281 11.012 115 HD23 LEU 14 2HD2 LEU 14 -3.761 8.755 9.372 116 H ILE 15 H ILE 15 -0.254 5.973 7.990 117 HA ILE 15 HA ILE 15 0.049 3.063 7.831 118 HB ILE 15 HB ILE 15 -0.442 3.809 5.548 119 HG12 ILE 15 2HG1 ILE 15 2.462 3.048 5.929 120 HG13 ILE 15 1HG1 ILE 15 1.107 1.924 5.914 121 HG21 ILE 15 1HG2 ILE 15 1.730 5.168 4.629 122 HG22 ILE 15 2HG2 ILE 15 1.519 5.873 6.231 123 HG23 ILE 15 3HG2 ILE 15 0.190 5.906 5.073 124 HD11 ILE 15 3HD1 ILE 15 1.496 1.693 3.745 125 HD12 ILE 15 1HD1 ILE 15 2.581 3.083 3.716 126 HD13 ILE 15 2HD1 ILE 15 0.842 3.318 3.544 127 H THR 16 H THR 16 2.170 2.309 8.110 128 HA THR 16 HA THR 16 3.840 4.052 9.683 129 HB THR 16 HB THR 16 5.285 2.071 9.969 130 HG1 THR 16 1HG THR 16 4.635 0.108 8.995 131 HG21 THR 16 3HG2 THR 16 3.518 2.275 11.548 132 HG22 THR 16 1HG2 THR 16 3.542 0.586 11.039 133 HG23 THR 16 2HG2 THR 16 2.325 1.686 10.390 134 HA PRO 17 HA PRO 17 6.690 5.408 6.608 135 HB2 PRO 17 2HB PRO 17 9.069 5.229 7.961 136 HB3 PRO 17 1HB PRO 17 7.897 6.530 8.193 137 HG2 PRO 17 2HG PRO 17 8.339 4.062 9.827 138 HG3 PRO 17 1HG PRO 17 8.026 5.723 10.367 139 HD2 PRO 17 2HD PRO 17 6.093 3.855 10.345 140 HD3 PRO 17 1HD PRO 17 5.751 5.557 9.970 141 H SER 18 H SER 18 7.289 2.358 8.225 142 HA SER 18 HA SER 18 9.336 1.436 6.491 143 HB2 SER 18 2HB SER 18 7.598 0.243 8.584 144 HB3 SER 18 1HB SER 18 8.299 -0.870 7.410 145 HG SER 18 HG SER 18 9.919 -0.750 8.777 146 H ALA 19 H ALA 19 5.847 1.394 6.358 147 HA ALA 19 HA ALA 19 5.867 -0.347 4.011 148 HB1 ALA 19 1HB ALA 19 3.720 -0.860 4.481 149 HB2 ALA 19 2HB ALA 19 3.316 0.791 4.951 150 HB3 ALA 19 3HB ALA 19 4.154 -0.267 6.085 151 H TYR 20 H TYR 20 5.358 2.980 4.932 152 HA TYR 20 HA TYR 20 4.049 3.919 2.647 153 HB2 TYR 20 2HB TYR 20 4.275 5.264 4.676 154 HB3 TYR 20 1HB TYR 20 6.018 5.356 4.441 155 HD1 TYR 20 2HD TYR 20 3.255 5.782 1.974 156 HD2 TYR 20 1HD TYR 20 6.475 7.606 4.072 157 HE1 TYR 20 2HE TYR 20 2.962 7.824 0.636 158 HE2 TYR 20 1HE TYR 20 6.192 9.653 2.740 159 HH TYR 20 HH TYR 20 4.195 9.771 -0.048 160 H TYR 21 H TYR 21 7.480 3.431 3.312 161 HA TYR 21 HA TYR 21 8.460 4.675 0.973 162 HB2 TYR 21 2HB TYR 21 9.541 2.938 3.095 163 HB3 TYR 21 1HB TYR 21 10.374 2.820 1.548 164 HD1 TYR 21 2HD TYR 21 11.251 4.969 0.498 165 HD2 TYR 21 1HD TYR 21 9.950 4.741 4.542 166 HE1 TYR 21 2HE TYR 21 12.501 7.023 1.010 167 HE2 TYR 21 1HE TYR 21 11.196 6.794 5.066 168 HH TYR 21 HH TYR 21 13.490 8.141 2.952 169 H LEU 22 H LEU 22 7.088 1.544 1.575 170 HA LEU 22 HA LEU 22 8.031 0.483 -0.967 171 HB2 LEU 22 2HB LEU 22 6.229 -0.771 1.107 172 HB3 LEU 22 1HB LEU 22 6.920 -1.585 -0.283 173 HG LEU 22 HG LEU 22 8.583 -0.373 1.920 174 HD11 LEU 22 1HD1 LEU 22 7.327 -2.078 2.969 175 HD12 LEU 22 2HD1 LEU 22 8.904 -2.778 2.603 176 HD13 LEU 22 3HD1 LEU 22 7.512 -3.163 1.591 177 HD21 LEU 22 3HD2 LEU 22 9.131 -1.847 -0.583 178 HD22 LEU 22 1HD2 LEU 22 10.091 -2.293 0.828 179 HD23 LEU 22 2HD2 LEU 22 10.093 -0.626 0.252 180 H LEU 23 H LEU 23 5.145 1.809 0.476 181 HA LEU 23 HA LEU 23 3.479 1.024 -1.769 182 HB2 LEU 23 2HB LEU 23 2.956 2.550 0.770 183 HB3 LEU 23 1HB LEU 23 1.754 2.420 -0.500 184 HG LEU 23 HG LEU 23 2.931 0.158 1.111 185 HD11 LEU 23 1HD1 LEU 23 0.925 1.844 1.795 186 HD12 LEU 23 2HD1 LEU 23 1.053 0.173 2.339 187 HD13 LEU 23 3HD1 LEU 23 0.031 0.574 0.960 188 HD21 LEU 23 3HD2 LEU 23 2.649 -0.669 -1.103 189 HD22 LEU 23 1HD2 LEU 23 1.079 0.119 -1.262 190 HD23 LEU 23 2HD2 LEU 23 1.277 -1.239 -0.152 191 H VAL 24 H VAL 24 5.241 3.806 -0.647 192 HA VAL 24 HA VAL 24 3.964 5.851 -2.033 193 HB VAL 24 HB VAL 24 5.737 6.251 -0.381 194 HG11 VAL 24 1HG1 VAL 24 7.674 5.384 -2.522 195 HG12 VAL 24 2HG1 VAL 24 7.218 4.398 -1.132 196 HG13 VAL 24 3HG1 VAL 24 8.059 5.930 -0.889 197 HG21 VAL 24 3HG2 VAL 24 6.073 7.422 -3.127 198 HG22 VAL 24 1HG2 VAL 24 7.018 7.983 -1.748 199 HG23 VAL 24 2HG2 VAL 24 5.260 8.116 -1.725 200 H GLY 25 H GLY 25 6.252 3.436 -3.155 201 HA2 GLY 25 2HA GLY 25 6.436 4.699 -5.781 202 HA3 GLY 25 1HA GLY 25 7.326 3.283 -5.244 203 H HIS 26 H HIS 26 5.127 1.765 -4.310 204 HA HIS 26 HA HIS 26 4.317 0.522 -6.705 205 HB2 HIS 26 2HB HIS 26 4.389 -0.235 -4.098 206 HB3 HIS 26 1HB HIS 26 2.661 0.027 -4.311 207 HD1 HIS 26 1HD HIS 26 5.298 -1.645 -6.500 208 HD2 HIS 26 2HD HIS 26 1.540 -2.357 -4.876 209 HE1 HIS 26 1HE HIS 26 4.625 -3.919 -7.335 210 HE2 HIS 26 2HE HIS 26 2.315 -4.298 -6.399 211 H PHE 27 H PHE 27 3.023 3.179 -4.958 212 HA PHE 27 HA PHE 27 0.372 2.923 -6.127 213 HB2 PHE 27 2HB PHE 27 0.564 3.716 -3.816 214 HB3 PHE 27 1HB PHE 27 1.555 5.069 -4.349 215 HD1 PHE 27 2HD PHE 27 -1.779 3.545 -5.047 216 HD2 PHE 27 1HD PHE 27 0.527 7.097 -4.641 217 HE1 PHE 27 2HE PHE 27 -3.810 4.896 -5.368 218 HE2 PHE 27 1HE PHE 27 -1.499 8.455 -4.961 219 HZ PHE 27 HZ PHE 27 -3.672 7.354 -5.326 220 H ASN 28 H ASN 28 3.067 5.251 -6.195 221 HA ASN 28 HA ASN 28 1.959 6.935 -8.162 222 HB2 ASN 28 2HB ASN 28 4.052 7.203 -6.549 223 HB3 ASN 28 1HB ASN 28 4.920 6.622 -7.968 224 HD21 ASN 28 1HD2 ASN 28 2.821 9.137 -6.731 225 HD22 ASN 28 2HD2 ASN 28 3.233 10.326 -7.913 226 H GLU 29 H GLU 29 3.941 4.040 -8.365 227 HA GLU 29 HA GLU 29 4.673 4.185 -11.059 228 HB2 GLU 29 2HB GLU 29 5.516 2.551 -9.315 229 HB3 GLU 29 1HB GLU 29 4.035 1.638 -9.571 230 HG2 GLU 29 2HG GLU 29 4.913 1.902 -12.115 231 HG3 GLU 29 1HG GLU 29 6.440 1.850 -11.235 232 H GLY 30 H GLY 30 1.667 3.265 -9.544 233 HA2 GLY 30 2HA GLY 30 -0.398 3.421 -10.733 234 HA3 GLY 30 1HA GLY 30 0.465 3.050 -12.217 235 H LYS 31 H LYS 31 1.005 1.236 -9.287 236 HA LYS 31 HA LYS 31 0.114 -1.175 -10.629 237 HB2 LYS 31 2HB LYS 31 2.212 -0.784 -9.049 238 HB3 LYS 31 1HB LYS 31 1.046 -1.194 -7.797 239 HG2 LYS 31 2HG LYS 31 1.712 -3.291 -8.206 240 HG3 LYS 31 1HG LYS 31 0.594 -3.185 -9.565 241 HD2 LYS 31 2HD LYS 31 2.462 -2.445 -11.002 242 HD3 LYS 31 1HD LYS 31 3.563 -2.650 -9.638 243 HE2 LYS 31 2HE LYS 31 3.598 -4.892 -9.840 244 HE3 LYS 31 1HE LYS 31 1.883 -4.984 -10.235 245 HZ1 LYS 31 3HZ LYS 31 2.291 -4.869 -12.432 246 HZ2 LYS 31 1HZ LYS 31 3.810 -5.465 -11.990 247 HZ3 LYS 31 2HZ LYS 31 3.599 -3.810 -12.264 248 H PHE 32 H PHE 32 -0.484 0.212 -7.390 249 HA PHE 32 HA PHE 32 -3.181 -0.970 -7.510 250 HB2 PHE 32 2HB PHE 32 -3.133 -1.335 -5.182 251 HB3 PHE 32 1HB PHE 32 -1.541 -1.830 -5.743 252 HD1 PHE 32 1HD PHE 32 0.330 -0.035 -5.587 253 HD2 PHE 32 2HD PHE 32 -3.323 0.128 -3.412 254 HE1 PHE 32 1HE PHE 32 1.372 1.486 -3.956 255 HE2 PHE 32 2HE PHE 32 -2.289 1.651 -1.779 256 HZ PHE 32 HZ PHE 32 0.062 2.332 -2.051 257 H SER 33 H SER 33 -4.945 0.255 -6.909 258 HA SER 33 HA SER 33 -4.500 3.142 -6.945 259 HB2 SER 33 2HB SER 33 -7.055 1.539 -7.217 260 HB3 SER 33 1HB SER 33 -6.934 3.292 -7.367 261 HG SER 33 HG SER 33 -6.885 2.175 -9.396 262 H LEU 34 H LEU 34 -5.880 4.505 -5.526 263 HA LEU 34 HA LEU 34 -5.435 3.920 -2.827 264 HB2 LEU 34 2HB LEU 34 -6.814 6.014 -4.362 265 HB3 LEU 34 1HB LEU 34 -7.432 5.782 -2.738 266 HG LEU 34 HG LEU 34 -4.590 6.461 -3.491 267 HD11 LEU 34 1HD1 LEU 34 -6.679 8.148 -3.378 268 HD12 LEU 34 2HD1 LEU 34 -5.031 8.602 -2.945 269 HD13 LEU 34 3HD1 LEU 34 -6.183 8.158 -1.686 270 HD21 LEU 34 3HD2 LEU 34 -5.799 5.451 -0.990 271 HD22 LEU 34 1HD2 LEU 34 -4.666 6.794 -0.838 272 HD23 LEU 34 2HD2 LEU 34 -4.154 5.290 -1.605 273 H ILE 35 H ILE 35 -8.294 3.501 -4.848 274 HA ILE 35 HA ILE 35 -10.139 2.875 -2.838 275 HB ILE 35 HB ILE 35 -10.795 3.335 -5.160 276 HG12 ILE 35 2HG1 ILE 35 -11.843 0.596 -4.867 277 HG13 ILE 35 1HG1 ILE 35 -11.979 1.591 -3.421 278 HG21 ILE 35 1HG2 ILE 35 -8.923 2.069 -6.202 279 HG22 ILE 35 2HG2 ILE 35 -10.500 1.743 -6.922 280 HG23 ILE 35 3HG2 ILE 35 -9.778 0.576 -5.814 281 HD11 ILE 35 3HD1 ILE 35 -13.818 2.465 -4.279 282 HD12 ILE 35 1HD1 ILE 35 -13.558 1.623 -5.807 283 HD13 ILE 35 2HD1 ILE 35 -12.829 3.207 -5.538 284 H GLU 36 H GLU 36 -7.851 0.839 -4.601 285 HA GLU 36 HA GLU 36 -8.734 -1.652 -3.670 286 HB2 GLU 36 2HB GLU 36 -5.948 -0.777 -4.450 287 HB3 GLU 36 1HB GLU 36 -6.456 -2.447 -4.242 288 HG2 GLU 36 2HG GLU 36 -7.539 -0.512 -6.276 289 HG3 GLU 36 1HG GLU 36 -6.400 -1.820 -6.588 290 H LEU 37 H LEU 37 -6.290 0.568 -2.368 291 HA LEU 37 HA LEU 37 -5.481 -1.045 -0.213 292 HB2 LEU 37 2HB LEU 37 -4.363 1.048 -1.136 293 HB3 LEU 37 1HB LEU 37 -5.525 1.965 -0.196 294 HG LEU 37 HG LEU 37 -4.666 0.967 1.868 295 HD11 LEU 37 1HD1 LEU 37 -3.898 -1.151 1.343 296 HD12 LEU 37 2HD1 LEU 37 -2.401 -0.251 1.584 297 HD13 LEU 37 3HD1 LEU 37 -2.976 -0.583 -0.049 298 HD21 LEU 37 3HD2 LEU 37 -2.175 1.870 0.567 299 HD22 LEU 37 1HD2 LEU 37 -2.960 2.440 2.040 300 HD23 LEU 37 2HD2 LEU 37 -3.555 2.965 0.464 301 H ILE 38 H ILE 38 -8.003 1.423 -0.482 302 HA ILE 38 HA ILE 38 -8.761 1.345 2.256 303 HB ILE 38 HB ILE 38 -10.469 2.199 -0.083 304 HG12 ILE 38 2HG1 ILE 38 -8.889 4.108 1.597 305 HG13 ILE 38 1HG1 ILE 38 -8.086 3.262 0.278 306 HG21 ILE 38 1HG2 ILE 38 -10.598 2.686 2.878 307 HG22 ILE 38 2HG2 ILE 38 -11.839 2.021 1.815 308 HG23 ILE 38 3HG2 ILE 38 -11.419 3.731 1.718 309 HD11 ILE 38 3HD1 ILE 38 -10.607 4.843 -0.107 310 HD12 ILE 38 1HD1 ILE 38 -9.489 4.249 -1.335 311 HD13 ILE 38 2HD1 ILE 38 -8.997 5.547 -0.247 312 H LYS 39 H LYS 39 -9.674 -0.481 -0.580 313 HA LYS 39 HA LYS 39 -12.021 -1.656 0.514 314 HB2 LYS 39 2HB LYS 39 -10.689 -1.662 -1.967 315 HB3 LYS 39 1HB LYS 39 -10.756 -3.343 -1.454 316 HG2 LYS 39 2HG LYS 39 -12.911 -3.488 -1.950 317 HG3 LYS 39 1HG LYS 39 -13.289 -2.035 -1.025 318 HD2 LYS 39 2HD LYS 39 -13.916 -1.408 -3.155 319 HD3 LYS 39 1HD LYS 39 -12.262 -0.800 -3.080 320 HE2 LYS 39 2HE LYS 39 -11.439 -2.546 -4.404 321 HE3 LYS 39 1HE LYS 39 -12.876 -3.536 -4.145 322 HZ1 LYS 39 3HZ LYS 39 -13.223 -0.957 -5.478 323 HZ2 LYS 39 1HZ LYS 39 -14.048 -2.415 -5.715 324 HZ3 LYS 39 2HZ LYS 39 -12.500 -2.202 -6.363 325 H PHE 40 H PHE 40 -8.620 -2.524 0.495 326 HA PHE 40 HA PHE 40 -8.990 -5.150 1.549 327 HB2 PHE 40 2HB PHE 40 -6.963 -4.288 0.267 328 HB3 PHE 40 1HB PHE 40 -6.477 -3.493 1.759 329 HD1 PHE 40 2HD PHE 40 -7.215 -6.793 0.255 330 HD2 PHE 40 1HD PHE 40 -5.369 -4.674 3.451 331 HE1 PHE 40 2HE PHE 40 -6.133 -8.873 1.003 332 HE2 PHE 40 1HE PHE 40 -4.283 -6.750 4.204 333 HZ PHE 40 HZ PHE 40 -4.665 -8.853 2.980 334 H ALA 41 H ALA 41 -8.334 -1.979 2.938 335 HA ALA 41 HA ALA 41 -7.948 -2.954 5.602 336 HB1 ALA 41 1HB ALA 41 -8.316 -0.449 6.135 337 HB2 ALA 41 2HB ALA 41 -8.274 -0.240 4.384 338 HB3 ALA 41 3HB ALA 41 -6.885 -0.930 5.224 339 H LYS 42 H LYS 42 -10.652 -1.575 3.796 340 HA LYS 42 HA LYS 42 -12.454 -1.218 5.892 341 HB2 LYS 42 2HB LYS 42 -12.645 -1.547 2.960 342 HB3 LYS 42 1HB LYS 42 -14.111 -1.902 3.863 343 HG2 LYS 42 2HG LYS 42 -12.591 0.648 4.276 344 HG3 LYS 42 1HG LYS 42 -13.787 0.473 2.991 345 HD2 LYS 42 2HD LYS 42 -15.142 -0.505 5.149 346 HD3 LYS 42 1HD LYS 42 -14.153 0.758 5.887 347 HE2 LYS 42 2HE LYS 42 -16.021 1.954 5.284 348 HE3 LYS 42 1HE LYS 42 -14.997 2.186 3.867 349 HZ1 LYS 42 3HZ LYS 42 -16.349 0.953 2.579 350 HZ2 LYS 42 1HZ LYS 42 -17.516 1.367 3.731 351 HZ3 LYS 42 2HZ LYS 42 -16.744 -0.135 3.811 352 H SER 43 H SER 43 -12.136 -4.029 3.718 353 HA SER 43 HA SER 43 -14.036 -5.637 5.003 354 HB2 SER 43 2HB SER 43 -13.100 -7.481 3.764 355 HB3 SER 43 1HB SER 43 -13.048 -6.053 2.730 356 HG SER 43 HG SER 43 -10.827 -5.812 3.450 357 H ARG 44 H ARG 44 -10.686 -4.990 5.720 358 HA ARG 44 HA ARG 44 -10.418 -7.156 7.596 359 HB2 ARG 44 2HB ARG 44 -8.535 -6.089 6.247 360 HB3 ARG 44 1HB ARG 44 -8.625 -4.743 7.376 361 HG2 ARG 44 2HG ARG 44 -7.021 -5.926 8.428 362 HG3 ARG 44 1HG ARG 44 -8.418 -6.745 9.130 363 HD2 ARG 44 2HD ARG 44 -8.212 -8.303 7.061 364 HD3 ARG 44 1HD ARG 44 -6.572 -7.663 6.960 365 HE ARG 44 HE ARG 44 -7.278 -8.637 9.571 366 HH11 ARG 44 1HH1 ARG 44 -6.027 -9.514 6.433 367 HH12 ARG 44 2HH1 ARG 44 -5.192 -10.912 7.019 368 HH21 ARG 44 1HH2 ARG 44 -6.180 -10.477 10.343 369 HH22 ARG 44 2HH2 ARG 44 -5.278 -11.460 9.238 370 H GLU 45 H GLU 45 -11.551 -3.900 7.684 371 HA GLU 45 HA GLU 45 -12.523 -2.675 9.333 372 HB2 GLU 45 2HB GLU 45 -12.895 -5.340 10.149 373 HB3 GLU 45 1HB GLU 45 -12.322 -4.486 11.576 374 HG2 GLU 45 2HG GLU 45 -14.196 -2.764 10.572 375 HG3 GLU 45 1HG GLU 45 -14.889 -4.344 10.206 376 H THR 46 H THR 46 -9.829 -2.339 8.864 377 HA THR 46 HA THR 46 -8.955 -1.364 11.467 378 HB THR 46 HB THR 46 -7.812 -3.443 11.498 379 HG1 THR 46 1HG THR 46 -5.582 -2.709 11.159 380 HG21 THR 46 3HG2 THR 46 -7.971 -4.323 9.347 381 HG22 THR 46 1HG2 THR 46 -6.248 -3.984 9.508 382 HG23 THR 46 2HG2 THR 46 -7.283 -2.881 8.601 383 H PHE 47 H PHE 47 -7.962 0.566 11.335 384 HA PHE 47 HA PHE 47 -7.588 1.701 8.671 385 HB2 PHE 47 2HB PHE 47 -7.316 3.860 9.994 386 HB3 PHE 47 1HB PHE 47 -8.902 3.097 10.063 387 HD1 PHE 47 1HD PHE 47 -5.769 3.655 11.926 388 HD2 PHE 47 2HD PHE 47 -9.810 2.335 12.105 389 HE1 PHE 47 1HE PHE 47 -5.652 3.648 14.383 390 HE2 PHE 47 2HE PHE 47 -9.702 2.327 14.563 391 HZ PHE 47 HZ PHE 47 -7.622 2.984 15.705 392 H ILE 48 H ILE 48 -5.766 0.639 11.419 393 HA ILE 48 HA ILE 48 -3.379 2.086 10.887 394 HB ILE 48 HB ILE 48 -3.569 -0.561 12.319 395 HG12 ILE 48 2HG1 ILE 48 -3.551 1.321 14.293 396 HG13 ILE 48 1HG1 ILE 48 -4.543 2.117 13.077 397 HG21 ILE 48 1HG2 ILE 48 -1.539 1.596 12.101 398 HG22 ILE 48 2HG2 ILE 48 -1.329 -0.153 12.161 399 HG23 ILE 48 3HG2 ILE 48 -1.690 0.742 13.637 400 HD11 ILE 48 3HD1 ILE 48 -5.314 0.162 14.934 401 HD12 ILE 48 1HD1 ILE 48 -5.381 -0.596 13.344 402 HD13 ILE 48 2HD1 ILE 48 -6.284 0.888 13.653 403 H ILE 49 H ILE 49 -2.453 1.892 8.933 404 HA ILE 49 HA ILE 49 -2.267 -0.728 7.659 405 HB ILE 49 HB ILE 49 -1.312 1.915 6.567 406 HG12 ILE 49 2HG1 ILE 49 -3.967 0.556 6.062 407 HG13 ILE 49 1HG1 ILE 49 -3.748 1.936 7.134 408 HG21 ILE 49 1HG2 ILE 49 -1.474 -0.845 5.552 409 HG22 ILE 49 2HG2 ILE 49 -0.370 0.462 5.123 410 HG23 ILE 49 3HG2 ILE 49 -1.994 0.418 4.436 411 HD11 ILE 49 3HD1 ILE 49 -3.559 3.400 5.429 412 HD12 ILE 49 1HD1 ILE 49 -4.495 2.164 4.587 413 HD13 ILE 49 2HD1 ILE 49 -2.746 2.240 4.378 414 H ASP 50 H ASP 50 -0.713 -1.769 8.911 415 HA ASP 50 HA ASP 50 1.936 -0.536 9.089 416 HB2 ASP 50 2HB ASP 50 2.458 -2.384 10.648 417 HB3 ASP 50 1HB ASP 50 1.050 -1.461 11.163 418 H ASP 51 H ASP 51 3.674 -2.526 9.071 419 HA ASP 51 HA ASP 51 4.034 -3.144 6.370 420 HB2 ASP 51 2HB ASP 51 5.636 -3.220 8.539 421 HB3 ASP 51 1HB ASP 51 5.316 -4.939 8.348 422 H GLU 52 H GLU 52 2.427 -4.891 8.932 423 HA GLU 52 HA GLU 52 2.319 -7.430 7.730 424 HB2 GLU 52 2HB GLU 52 1.751 -6.881 10.120 425 HB3 GLU 52 1HB GLU 52 0.229 -6.219 9.542 426 HG2 GLU 52 2HG GLU 52 -0.078 -8.466 10.374 427 HG3 GLU 52 1HG GLU 52 -0.382 -8.404 8.638 428 H ILE 53 H ILE 53 0.281 -4.582 7.399 429 HA ILE 53 HA ILE 53 -1.681 -5.923 5.775 430 HB ILE 53 HB ILE 53 -1.290 -2.947 6.075 431 HG12 ILE 53 2HG1 ILE 53 -1.483 -4.030 8.287 432 HG13 ILE 53 1HG1 ILE 53 -2.893 -3.041 7.916 433 HG21 ILE 53 1HG2 ILE 53 -3.330 -4.688 4.858 434 HG22 ILE 53 2HG2 ILE 53 -2.858 -3.035 4.459 435 HG23 ILE 53 3HG2 ILE 53 -3.941 -3.341 5.818 436 HD11 ILE 53 3HD1 ILE 53 -3.966 -5.221 7.116 437 HD12 ILE 53 1HD1 ILE 53 -3.776 -4.974 8.851 438 HD13 ILE 53 2HD1 ILE 53 -2.655 -6.021 7.980 439 H ALA 54 H ALA 54 1.001 -3.677 5.215 440 HA ALA 54 HA ALA 54 0.587 -3.359 2.441 441 HB1 ALA 54 1HB ALA 54 2.181 -2.148 4.238 442 HB2 ALA 54 2HB ALA 54 2.408 -2.029 2.493 443 HB3 ALA 54 3HB ALA 54 3.359 -3.184 3.430 444 H ASN 55 H ASN 55 2.356 -5.726 4.337 445 HA ASN 55 HA ASN 55 3.688 -6.924 2.113 446 HB2 ASN 55 2HB ASN 55 4.270 -7.028 4.657 447 HB3 ASN 55 1HB ASN 55 3.140 -8.380 4.679 448 HD21 ASN 55 1HD2 ASN 55 5.928 -7.165 2.858 449 HD22 ASN 55 2HD2 ASN 55 6.652 -8.712 2.603 450 H GLU 56 H GLU 56 0.873 -7.860 4.079 451 HA GLU 56 HA GLU 56 0.267 -10.178 2.569 452 HB2 GLU 56 2HB GLU 56 -0.586 -9.173 4.949 453 HB3 GLU 56 1HB GLU 56 -1.975 -8.827 3.929 454 HG2 GLU 56 2HG GLU 56 -1.520 -11.376 3.228 455 HG3 GLU 56 1HG GLU 56 -0.912 -11.403 4.883 456 H PHE 57 H PHE 57 -0.620 -6.807 2.276 457 HA PHE 57 HA PHE 57 -2.769 -7.132 0.468 458 HB2 PHE 57 2HB PHE 57 -2.395 -5.048 1.713 459 HB3 PHE 57 1HB PHE 57 -0.899 -4.780 0.826 460 HD1 PHE 57 1HD PHE 57 -4.509 -5.428 0.134 461 HD2 PHE 57 2HD PHE 57 -0.967 -3.331 -0.945 462 HE1 PHE 57 1HE PHE 57 -5.761 -4.215 -1.602 463 HE2 PHE 57 2HE PHE 57 -2.213 -2.112 -2.683 464 HZ PHE 57 HZ PHE 57 -4.614 -2.555 -3.013 465 H LEU 58 H LEU 58 0.635 -6.239 -0.109 466 HA LEU 58 HA LEU 58 0.502 -6.210 -2.901 467 HB2 LEU 58 2HB LEU 58 2.844 -6.851 -1.105 468 HB3 LEU 58 1HB LEU 58 2.965 -6.507 -2.821 469 HG LEU 58 HG LEU 58 1.823 -4.538 -0.847 470 HD11 LEU 58 1HD1 LEU 58 4.602 -4.368 -1.936 471 HD12 LEU 58 2HD1 LEU 58 4.270 -5.289 -0.469 472 HD13 LEU 58 3HD1 LEU 58 3.898 -3.565 -0.531 473 HD21 LEU 58 3HD2 LEU 58 1.150 -3.972 -3.021 474 HD22 LEU 58 1HD2 LEU 58 2.712 -4.412 -3.712 475 HD23 LEU 58 2HD2 LEU 58 2.565 -2.966 -2.712 476 H LYS 59 H LYS 59 1.025 -8.846 -0.638 477 HA LYS 59 HA LYS 59 1.728 -10.763 -2.648 478 HB2 LYS 59 2HB LYS 59 0.969 -10.983 0.259 479 HB3 LYS 59 1HB LYS 59 1.257 -12.403 -0.736 480 HG2 LYS 59 2HG LYS 59 3.344 -10.304 -0.742 481 HG3 LYS 59 1HG LYS 59 3.157 -11.266 0.727 482 HD2 LYS 59 2HD LYS 59 3.948 -13.142 -0.249 483 HD3 LYS 59 1HD LYS 59 3.167 -12.791 -1.793 484 HE2 LYS 59 2HE LYS 59 4.917 -11.459 -2.523 485 HE3 LYS 59 1HE LYS 59 5.498 -11.154 -0.887 486 HZ1 LYS 59 3HZ LYS 59 7.032 -12.665 -1.520 487 HZ2 LYS 59 1HZ LYS 59 6.019 -13.412 -2.651 488 HZ3 LYS 59 2HZ LYS 59 5.855 -13.764 -1.006 489 H SER 60 H SER 60 -1.229 -9.669 -1.156 490 HA SER 60 HA SER 60 -2.824 -11.867 -2.085 491 HB2 SER 60 2HB SER 60 -3.429 -9.217 -0.798 492 HB3 SER 60 1HB SER 60 -4.726 -10.207 -1.467 493 HG SER 60 HG SER 60 -4.047 -11.895 -0.087 494 H ILE 61 H ILE 61 -2.371 -8.486 -3.080 495 HA ILE 61 HA ILE 61 -4.201 -8.467 -5.195 496 HB ILE 61 HB ILE 61 -2.922 -6.566 -6.092 497 HG12 ILE 61 2HG1 ILE 61 -0.955 -7.204 -3.881 498 HG13 ILE 61 1HG1 ILE 61 -0.661 -7.426 -5.604 499 HG21 ILE 61 1HG2 ILE 61 -4.459 -5.938 -4.459 500 HG22 ILE 61 2HG2 ILE 61 -2.954 -5.192 -3.920 501 HG23 ILE 61 3HG2 ILE 61 -3.525 -6.676 -3.159 502 HD11 ILE 61 3HD1 ILE 61 0.409 -5.426 -5.049 503 HD12 ILE 61 1HD1 ILE 61 -0.950 -4.869 -4.071 504 HD13 ILE 61 2HD1 ILE 61 -1.094 -4.931 -5.828 505 H GLY 62 H GLY 62 -0.928 -9.683 -4.994 506 HA2 GLY 62 2HA GLY 62 -0.082 -11.358 -6.432 507 HA3 GLY 62 1HA GLY 62 -1.267 -10.886 -7.640 508 H ALA 63 H ALA 63 1.257 -9.115 -5.853 509 HA ALA 63 HA ALA 63 2.150 -7.987 -8.413 510 HB1 ALA 63 1HB ALA 63 1.479 -6.634 -6.228 511 HB2 ALA 63 2HB ALA 63 2.743 -6.079 -7.325 512 HB3 ALA 63 3HB ALA 63 3.174 -6.925 -5.839 513 H GLU 64 H GLU 64 3.679 -9.262 -9.279 514 HA GLU 64 HA GLU 64 5.443 -10.920 -7.873 515 HB2 GLU 64 2HB GLU 64 4.795 -10.788 -10.427 516 HB3 GLU 64 1HB GLU 64 6.231 -9.778 -10.521 517 HG2 GLU 64 2HG GLU 64 7.652 -11.507 -9.992 518 HG3 GLU 64 1HG GLU 64 6.391 -12.432 -9.176 519 H VAL 65 H VAL 65 6.657 -10.027 -6.291 520 HA VAL 65 HA VAL 65 8.263 -7.653 -6.920 521 HB VAL 65 HB VAL 65 8.721 -7.581 -4.469 522 HG11 VAL 65 1HG1 VAL 65 5.833 -7.530 -5.338 523 HG12 VAL 65 2HG1 VAL 65 6.980 -6.191 -5.378 524 HG13 VAL 65 3HG1 VAL 65 6.438 -6.842 -3.831 525 HG21 VAL 65 3HG2 VAL 65 7.868 -9.075 -2.971 526 HG22 VAL 65 1HG2 VAL 65 8.056 -10.145 -4.359 527 HG23 VAL 65 2HG2 VAL 65 6.476 -9.463 -3.981 528 H GLU 66 H GLU 66 10.426 -7.747 -5.498 529 HA GLU 66 HA GLU 66 12.528 -8.592 -5.316 530 HB2 GLU 66 2HB GLU 66 10.790 -10.959 -4.951 531 HB3 GLU 66 1HB GLU 66 12.468 -11.295 -5.356 532 HG2 GLU 66 2HG GLU 66 11.744 -9.427 -3.131 533 HG3 GLU 66 1HG GLU 66 11.816 -11.172 -2.889 534 H LEU 67 H LEU 67 13.782 -8.233 -7.019 535 HA LEU 67 HA LEU 67 13.752 -10.141 -9.222 536 HB2 LEU 67 2HB LEU 67 12.349 -7.908 -9.595 537 HB3 LEU 67 1HB LEU 67 13.937 -7.270 -9.979 538 HG LEU 67 HG LEU 67 12.881 -7.932 -12.022 539 HD11 LEU 67 1HD1 LEU 67 15.289 -8.403 -11.789 540 HD12 LEU 67 2HD1 LEU 67 14.480 -9.512 -12.897 541 HD13 LEU 67 3HD1 LEU 67 14.897 -10.042 -11.267 542 HD21 LEU 67 3HD2 LEU 67 11.505 -9.740 -10.588 543 HD22 LEU 67 1HD2 LEU 67 12.701 -10.796 -11.340 544 HD23 LEU 67 2HD2 LEU 67 11.651 -9.797 -12.345 545 HA PRO 68 HA PRO 68 17.991 -8.810 -7.750 546 HB2 PRO 68 2HB PRO 68 18.953 -11.321 -7.370 547 HB3 PRO 68 1HB PRO 68 18.079 -10.429 -6.120 548 HG2 PRO 68 2HG PRO 68 17.079 -12.544 -7.987 549 HG3 PRO 68 1HG PRO 68 16.761 -12.341 -6.255 550 HD2 PRO 68 2HD PRO 68 14.994 -11.577 -8.157 551 HD3 PRO 68 1HD PRO 68 15.160 -10.719 -6.611 552 H GLN 69 H GLN 69 18.031 -8.169 -10.053 553 HA GLN 69 HA GLN 69 20.070 -9.489 -11.461 554 HB2 GLN 69 2HB GLN 69 18.164 -11.098 -11.850 555 HB3 GLN 69 1HB GLN 69 17.361 -9.821 -12.751 556 HG2 GLN 69 2HG GLN 69 18.359 -10.867 -14.481 557 HG3 GLN 69 1HG GLN 69 19.690 -9.802 -14.031 558 HE21 GLN 69 1HE2 GLN 69 21.363 -10.685 -12.664 559 HE22 GLN 69 2HE2 GLN 69 21.732 -12.371 -12.751 560 H GLU 70 H GLU 70 20.908 -7.446 -11.681 561 HA GLU 70 HA GLU 70 21.291 -5.420 -12.641 562 HB2 GLU 70 2HB GLU 70 19.524 -6.778 -14.618 563 HB3 GLU 70 1HB GLU 70 19.801 -5.053 -14.816 564 HG2 GLU 70 2HG GLU 70 21.764 -5.442 -15.751 565 HG3 GLU 70 1HG GLU 70 22.298 -6.328 -14.324 566 H ILE 71 H ILE 71 20.445 -3.280 -12.822 567 HA ILE 71 HA ILE 71 17.883 -2.968 -11.416 568 HB ILE 71 HB ILE 71 18.666 -0.658 -10.926 569 HG12 ILE 71 2HG1 ILE 71 21.474 -1.283 -11.504 570 HG13 ILE 71 1HG1 ILE 71 20.480 -1.109 -12.947 571 HG21 ILE 71 1HG2 ILE 71 19.930 -3.131 -9.951 572 HG22 ILE 71 2HG2 ILE 71 19.072 -1.868 -9.070 573 HG23 ILE 71 3HG2 ILE 71 20.757 -1.630 -9.530 574 HD11 ILE 71 3HD1 ILE 71 21.680 0.920 -11.535 575 HD12 ILE 71 1HD1 ILE 71 19.997 0.996 -11.015 576 HD13 ILE 71 2HD1 ILE 71 20.394 1.097 -12.730 577 H LYS 72 H LYS 72 18.095 -3.480 -14.282 578 HA LYS 72 HA LYS 72 16.648 -1.106 -15.209 579 HB2 LYS 72 2HB LYS 72 19.004 -2.403 -16.555 580 HB3 LYS 72 1HB LYS 72 17.806 -1.512 -17.483 581 HG2 LYS 72 2HG LYS 72 18.639 0.456 -16.864 582 HG3 LYS 72 1HG LYS 72 18.749 -0.028 -15.171 583 HD2 LYS 72 2HD LYS 72 20.924 -0.568 -15.342 584 HD3 LYS 72 1HD LYS 72 20.709 -1.322 -16.923 585 HE2 LYS 72 2HE LYS 72 20.348 1.261 -17.585 586 HE3 LYS 72 1HE LYS 72 21.452 1.448 -16.223 587 HZ1 LYS 72 3HZ LYS 72 21.926 0.299 -18.852 588 HZ2 LYS 72 1HZ LYS 72 22.673 -0.489 -17.555 589 HZ3 LYS 72 2HZ LYS 72 22.977 1.150 -17.837 Start of MODEL 12 1 H MET 1 H MET 1 3.506 17.980 -1.578 2 HA MET 1 HA MET 1 3.948 16.135 0.668 3 HB2 MET 1 2HB MET 1 1.429 16.209 0.808 4 HB3 MET 1 1HB MET 1 2.249 17.665 1.352 5 HG2 MET 1 2HG MET 1 1.504 17.667 -1.482 6 HG3 MET 1 1HG MET 1 0.147 17.608 -0.359 7 HE1 MET 1 2HE MET 1 2.476 19.776 -2.276 8 HE2 MET 1 3HE MET 1 1.746 21.321 -1.839 9 HE3 MET 1 1HE MET 1 0.738 20.012 -2.458 10 H ASP 2 H ASP 2 2.155 14.330 0.254 11 HA ASP 2 HA ASP 2 2.341 13.542 -2.579 12 HB2 ASP 2 2HB ASP 2 3.828 12.313 -0.799 13 HB3 ASP 2 1HB ASP 2 2.323 11.491 -0.394 14 H GLU 3 H GLU 3 0.574 12.537 -3.483 15 HA GLU 3 HA GLU 3 -1.954 13.133 -2.387 16 HB2 GLU 3 2HB GLU 3 -1.237 11.232 -4.625 17 HB3 GLU 3 1HB GLU 3 -2.855 11.824 -4.276 18 HG2 GLU 3 2HG GLU 3 -0.598 13.702 -4.868 19 HG3 GLU 3 1HG GLU 3 -1.536 12.944 -6.154 20 H PHE 4 H PHE 4 0.091 10.321 -2.211 21 HA PHE 4 HA PHE 4 -1.782 8.379 -1.495 22 HB2 PHE 4 2HB PHE 4 0.642 7.990 -2.052 23 HB3 PHE 4 1HB PHE 4 1.043 8.572 -0.439 24 HD1 PHE 4 2HD PHE 4 -1.242 6.094 -2.047 25 HD2 PHE 4 1HD PHE 4 1.369 6.998 1.192 26 HE1 PHE 4 2HE PHE 4 -1.571 3.826 -1.152 27 HE2 PHE 4 1HE PHE 4 1.043 4.732 2.091 28 HZ PHE 4 HZ PHE 4 -0.430 3.142 0.920 29 H VAL 5 H VAL 5 0.374 10.142 0.737 30 HA VAL 5 HA VAL 5 -1.045 9.368 3.055 31 HB VAL 5 HB VAL 5 0.238 11.209 4.179 32 HG11 VAL 5 1HG1 VAL 5 1.217 9.062 4.203 33 HG12 VAL 5 2HG1 VAL 5 2.495 10.164 3.690 34 HG13 VAL 5 3HG1 VAL 5 1.664 9.162 2.500 35 HG21 VAL 5 3HG2 VAL 5 1.575 12.677 3.055 36 HG22 VAL 5 1HG2 VAL 5 0.313 12.457 1.845 37 HG23 VAL 5 2HG2 VAL 5 1.835 11.577 1.703 38 H LYS 6 H LYS 6 -1.393 12.033 0.833 39 HA LYS 6 HA LYS 6 -3.045 13.626 2.544 40 HB2 LYS 6 2HB LYS 6 -2.206 13.717 -0.316 41 HB3 LYS 6 1HB LYS 6 -3.627 14.638 0.158 42 HG2 LYS 6 2HG LYS 6 -1.886 15.373 2.093 43 HG3 LYS 6 1HG LYS 6 -0.788 15.107 0.738 44 HD2 LYS 6 2HD LYS 6 -1.684 16.814 -0.500 45 HD3 LYS 6 1HD LYS 6 -3.276 16.664 0.249 46 HE2 LYS 6 2HE LYS 6 -2.173 17.533 2.374 47 HE3 LYS 6 1HE LYS 6 -0.805 17.972 1.353 48 HZ1 LYS 6 3HZ LYS 6 -3.594 18.922 0.977 49 HZ2 LYS 6 1HZ LYS 6 -2.255 19.374 0.045 50 HZ3 LYS 6 2HZ LYS 6 -2.344 19.821 1.675 51 H GLY 7 H GLY 7 -3.580 11.077 0.219 52 HA2 GLY 7 2HA GLY 7 -6.454 11.538 0.161 53 HA3 GLY 7 1HA GLY 7 -5.580 10.291 -0.715 54 H LEU 8 H LEU 8 -4.175 9.473 1.792 55 HA LEU 8 HA LEU 8 -6.154 7.572 2.657 56 HB2 LEU 8 2HB LEU 8 -3.245 7.972 3.039 57 HB3 LEU 8 1HB LEU 8 -4.086 7.103 4.308 58 HG LEU 8 HG LEU 8 -4.118 6.324 1.393 59 HD11 LEU 8 1HD1 LEU 8 -2.353 4.959 1.723 60 HD12 LEU 8 2HD1 LEU 8 -2.779 4.634 3.403 61 HD13 LEU 8 3HD1 LEU 8 -1.956 6.134 2.977 62 HD21 LEU 8 3HD2 LEU 8 -6.043 5.397 2.240 63 HD22 LEU 8 1HD2 LEU 8 -5.377 5.229 3.865 64 HD23 LEU 8 2HD2 LEU 8 -4.875 4.122 2.587 65 H MET 9 H MET 9 -4.253 10.127 4.248 66 HA MET 9 HA MET 9 -5.377 9.870 6.794 67 HB2 MET 9 2HB MET 9 -3.425 11.422 5.702 68 HB3 MET 9 1HB MET 9 -4.692 12.614 5.959 69 HG2 MET 9 2HG MET 9 -4.604 12.429 8.233 70 HG3 MET 9 1HG MET 9 -4.016 10.766 8.184 71 HE1 MET 9 3HE MET 9 -0.260 11.184 7.334 72 HE2 MET 9 1HE MET 9 -1.477 11.147 6.060 73 HE3 MET 9 2HE MET 9 -1.640 10.093 7.463 74 H LYS 10 H LYS 10 -6.544 11.478 3.923 75 HA LYS 10 HA LYS 10 -8.515 13.093 5.137 76 HB2 LYS 10 2HB LYS 10 -7.896 12.160 2.401 77 HB3 LYS 10 1HB LYS 10 -9.567 12.622 2.687 78 HG2 LYS 10 2HG LYS 10 -8.104 14.670 3.835 79 HG3 LYS 10 1HG LYS 10 -7.214 14.275 2.364 80 HD2 LYS 10 2HD LYS 10 -10.181 14.557 2.236 81 HD3 LYS 10 1HD LYS 10 -9.185 16.010 2.319 82 HE2 LYS 10 2HE LYS 10 -7.872 14.626 0.411 83 HE3 LYS 10 1HE LYS 10 -9.518 14.057 0.138 84 HZ1 LYS 10 3HZ LYS 10 -8.608 16.223 -1.001 85 HZ2 LYS 10 1HZ LYS 10 -9.095 16.935 0.454 86 HZ3 LYS 10 2HZ LYS 10 -10.220 16.108 -0.503 87 H ASN 11 H ASN 11 -8.437 9.726 4.230 88 HA ASN 11 HA ASN 11 -11.297 9.414 4.694 89 HB2 ASN 11 2HB ASN 11 -9.135 7.683 3.571 90 HB3 ASN 11 1HB ASN 11 -10.579 6.916 4.227 91 HD21 ASN 11 1HD2 ASN 11 -9.898 9.800 2.266 92 HD22 ASN 11 2HD2 ASN 11 -11.047 9.436 1.029 93 H GLY 12 H GLY 12 -9.019 9.924 6.781 94 HA2 GLY 12 2HA GLY 12 -8.826 9.449 9.023 95 HA3 GLY 12 1HA GLY 12 -10.261 8.448 8.875 96 H TYR 13 H TYR 13 -7.426 7.913 6.906 97 HA TYR 13 HA TYR 13 -6.980 5.392 8.358 98 HB2 TYR 13 2HB TYR 13 -6.582 6.149 5.470 99 HB3 TYR 13 1HB TYR 13 -5.807 4.730 6.167 100 HD1 TYR 13 2HD TYR 13 -9.113 6.290 5.527 101 HD2 TYR 13 1HD TYR 13 -6.990 2.711 6.403 102 HE1 TYR 13 2HE TYR 13 -11.158 4.986 5.122 103 HE2 TYR 13 1HE TYR 13 -9.028 1.395 6.000 104 HH TYR 13 HH TYR 13 -11.144 1.599 4.791 105 H LEU 14 H LEU 14 -4.817 4.666 8.683 106 HA LEU 14 HA LEU 14 -2.785 6.791 8.517 107 HB2 LEU 14 2HB LEU 14 -3.081 4.832 10.791 108 HB3 LEU 14 1HB LEU 14 -1.910 6.132 10.673 109 HG LEU 14 HG LEU 14 -4.899 6.503 10.899 110 HD11 LEU 14 1HD1 LEU 14 -2.836 7.163 12.977 111 HD12 LEU 14 2HD1 LEU 14 -3.640 5.593 12.922 112 HD13 LEU 14 3HD1 LEU 14 -4.588 7.063 13.152 113 HD21 LEU 14 3HD2 LEU 14 -4.279 8.434 9.865 114 HD22 LEU 14 1HD2 LEU 14 -2.618 8.349 10.453 115 HD23 LEU 14 2HD2 LEU 14 -3.908 8.878 11.531 116 H ILE 15 H ILE 15 -0.588 6.065 8.389 117 HA ILE 15 HA ILE 15 -0.174 3.243 7.766 118 HB ILE 15 HB ILE 15 -0.692 4.289 5.605 119 HG12 ILE 15 2HG1 ILE 15 2.252 3.845 5.460 120 HG13 ILE 15 1HG1 ILE 15 1.258 2.536 6.090 121 HG21 ILE 15 1HG2 ILE 15 1.675 6.058 6.199 122 HG22 ILE 15 2HG2 ILE 15 -0.010 6.562 6.078 123 HG23 ILE 15 3HG2 ILE 15 0.835 5.964 4.651 124 HD11 ILE 15 3HD1 ILE 15 0.458 2.025 4.071 125 HD12 ILE 15 1HD1 ILE 15 1.832 2.951 3.469 126 HD13 ILE 15 2HD1 ILE 15 0.249 3.715 3.615 127 H THR 16 H THR 16 1.959 2.539 8.009 128 HA THR 16 HA THR 16 3.593 4.267 9.683 129 HB THR 16 HB THR 16 5.014 2.208 9.953 130 HG1 THR 16 1HG THR 16 4.499 1.052 8.110 131 HG21 THR 16 3HG2 THR 16 3.728 1.529 11.685 132 HG22 THR 16 1HG2 THR 16 2.304 1.295 10.669 133 HG23 THR 16 2HG2 THR 16 2.733 2.912 11.226 134 HA PRO 17 HA PRO 17 6.484 5.628 6.643 135 HB2 PRO 17 2HB PRO 17 8.581 4.810 8.597 136 HB3 PRO 17 1HB PRO 17 8.344 6.360 7.782 137 HG2 PRO 17 2HG PRO 17 7.696 6.060 10.347 138 HG3 PRO 17 1HG PRO 17 6.691 7.035 9.260 139 HD2 PRO 17 2HD PRO 17 6.213 4.294 10.336 140 HD3 PRO 17 1HD PRO 17 5.053 5.593 9.997 141 H SER 18 H SER 18 7.304 2.620 8.349 142 HA SER 18 HA SER 18 9.118 1.604 6.477 143 HB2 SER 18 2HB SER 18 8.068 -0.669 7.485 144 HB3 SER 18 1HB SER 18 9.225 0.330 8.364 145 HG SER 18 HG SER 18 6.418 0.667 8.557 146 H ALA 19 H ALA 19 5.622 1.593 6.544 147 HA ALA 19 HA ALA 19 5.443 -0.234 4.292 148 HB1 ALA 19 1HB ALA 19 3.153 -0.309 4.670 149 HB2 ALA 19 2HB ALA 19 3.126 1.281 5.433 150 HB3 ALA 19 3HB ALA 19 3.817 -0.096 6.291 151 H TYR 20 H TYR 20 5.142 3.194 4.972 152 HA TYR 20 HA TYR 20 3.965 3.990 2.545 153 HB2 TYR 20 2HB TYR 20 4.033 5.477 4.467 154 HB3 TYR 20 1HB TYR 20 5.791 5.510 4.417 155 HD1 TYR 20 2HD TYR 20 2.997 6.089 1.990 156 HD2 TYR 20 1HD TYR 20 6.678 7.472 3.613 157 HE1 TYR 20 2HE TYR 20 2.910 8.046 0.503 158 HE2 TYR 20 1HE TYR 20 6.601 9.432 2.133 159 HH TYR 20 HH TYR 20 3.921 10.472 0.594 160 H TYR 21 H TYR 21 7.337 3.562 3.506 161 HA TYR 21 HA TYR 21 8.507 4.636 1.180 162 HB2 TYR 21 2HB TYR 21 9.400 2.970 3.454 163 HB3 TYR 21 1HB TYR 21 10.356 2.821 1.982 164 HD1 TYR 21 2HD TYR 21 8.924 5.419 4.251 165 HD2 TYR 21 1HD TYR 21 12.068 4.337 1.596 166 HE1 TYR 21 2HE TYR 21 10.116 7.493 4.825 167 HE2 TYR 21 1HE TYR 21 13.269 6.406 2.161 168 HH TYR 21 HH TYR 21 13.375 8.053 3.913 169 H LEU 22 H LEU 22 7.078 1.538 1.862 170 HA LEU 22 HA LEU 22 8.131 0.401 -0.616 171 HB2 LEU 22 2HB LEU 22 6.411 -0.864 1.518 172 HB3 LEU 22 1HB LEU 22 7.126 -1.696 0.151 173 HG LEU 22 HG LEU 22 8.909 -0.258 2.071 174 HD11 LEU 22 1HD1 LEU 22 7.380 -1.614 3.450 175 HD12 LEU 22 2HD1 LEU 22 9.040 -2.210 3.488 176 HD13 LEU 22 3HD1 LEU 22 7.827 -3.037 2.509 177 HD21 LEU 22 3HD2 LEU 22 9.831 -1.180 0.002 178 HD22 LEU 22 1HD2 LEU 22 9.212 -2.774 0.436 179 HD23 LEU 22 2HD2 LEU 22 10.465 -2.016 1.419 180 H LEU 23 H LEU 23 5.181 1.627 0.783 181 HA LEU 23 HA LEU 23 3.524 0.632 -1.371 182 HB2 LEU 23 2HB LEU 23 3.017 2.342 1.044 183 HB3 LEU 23 1HB LEU 23 1.800 2.149 -0.204 184 HG LEU 23 HG LEU 23 2.997 -0.071 1.455 185 HD11 LEU 23 1HD1 LEU 23 1.523 0.766 2.941 186 HD12 LEU 23 2HD1 LEU 23 0.355 -0.115 1.955 187 HD13 LEU 23 3HD1 LEU 23 0.594 1.616 1.707 188 HD21 LEU 23 3HD2 LEU 23 0.954 -1.268 0.341 189 HD22 LEU 23 1HD2 LEU 23 2.496 -1.155 -0.508 190 HD23 LEU 23 2HD2 LEU 23 1.183 -0.048 -0.912 191 H VAL 24 H VAL 24 5.189 3.573 -0.518 192 HA VAL 24 HA VAL 24 3.835 5.401 -2.137 193 HB VAL 24 HB VAL 24 5.512 6.070 -0.469 194 HG11 VAL 24 1HG1 VAL 24 7.099 4.147 -1.509 195 HG12 VAL 24 2HG1 VAL 24 7.683 5.473 -0.502 196 HG13 VAL 24 3HG1 VAL 24 7.797 5.583 -2.259 197 HG21 VAL 24 3HG2 VAL 24 5.443 7.045 -3.227 198 HG22 VAL 24 1HG2 VAL 24 6.889 7.513 -2.333 199 HG23 VAL 24 2HG2 VAL 24 5.294 7.925 -1.707 200 H GLY 25 H GLY 25 6.266 3.002 -2.925 201 HA2 GLY 25 2HA GLY 25 6.749 4.022 -5.573 202 HA3 GLY 25 1HA GLY 25 7.321 2.493 -4.923 203 H HIS 26 H HIS 26 5.105 1.124 -4.310 204 HA HIS 26 HA HIS 26 4.197 0.184 -6.792 205 HB2 HIS 26 2HB HIS 26 4.159 -0.792 -4.264 206 HB3 HIS 26 1HB HIS 26 2.468 -0.342 -4.452 207 HD1 HIS 26 1HD HIS 26 4.932 -2.068 -6.796 208 HD2 HIS 26 2HD HIS 26 1.127 -2.556 -5.198 209 HE1 HIS 26 1HE HIS 26 4.042 -4.187 -7.815 210 HE2 HIS 26 2HE HIS 26 1.699 -4.405 -6.912 211 H PHE 27 H PHE 27 3.116 2.811 -4.865 212 HA PHE 27 HA PHE 27 0.454 2.868 -6.006 213 HB2 PHE 27 2HB PHE 27 0.840 3.586 -3.674 214 HB3 PHE 27 1HB PHE 27 1.863 4.894 -4.256 215 HD1 PHE 27 2HD PHE 27 -1.588 3.541 -4.601 216 HD2 PHE 27 1HD PHE 27 0.935 6.967 -4.651 217 HE1 PHE 27 2HE PHE 27 -3.567 4.991 -4.803 218 HE2 PHE 27 1HE PHE 27 -1.038 8.424 -4.851 219 HZ PHE 27 HZ PHE 27 -3.292 7.436 -4.928 220 H ASN 28 H ASN 28 3.281 5.045 -6.027 221 HA ASN 28 HA ASN 28 2.275 6.777 -8.004 222 HB2 ASN 28 2HB ASN 28 4.735 6.444 -6.520 223 HB3 ASN 28 1HB ASN 28 5.077 6.844 -8.200 224 HD21 ASN 28 1HD2 ASN 28 2.418 7.811 -6.076 225 HD22 ASN 28 2HD2 ASN 28 2.709 9.509 -6.195 226 H GLU 29 H GLU 29 4.053 3.769 -8.186 227 HA GLU 29 HA GLU 29 4.930 3.889 -10.835 228 HB2 GLU 29 2HB GLU 29 4.419 1.749 -8.858 229 HB3 GLU 29 1HB GLU 29 4.433 1.244 -10.541 230 HG2 GLU 29 2HG GLU 29 6.657 1.955 -10.842 231 HG3 GLU 29 1HG GLU 29 6.653 2.856 -9.327 232 H GLY 30 H GLY 30 1.779 3.227 -9.495 233 HA2 GLY 30 2HA GLY 30 -0.203 3.586 -10.773 234 HA3 GLY 30 1HA GLY 30 0.699 3.179 -12.226 235 H LYS 31 H LYS 31 0.951 1.246 -9.339 236 HA LYS 31 HA LYS 31 -0.133 -1.026 -10.791 237 HB2 LYS 31 2HB LYS 31 1.972 -0.816 -9.100 238 HB3 LYS 31 1HB LYS 31 0.731 -1.366 -7.983 239 HG2 LYS 31 2HG LYS 31 1.208 -3.427 -8.647 240 HG3 LYS 31 1HG LYS 31 0.433 -3.023 -10.179 241 HD2 LYS 31 2HD LYS 31 2.548 -2.354 -11.125 242 HD3 LYS 31 1HD LYS 31 3.355 -2.579 -9.571 243 HE2 LYS 31 2HE LYS 31 3.894 -4.554 -10.588 244 HE3 LYS 31 1HE LYS 31 2.384 -5.016 -9.804 245 HZ1 LYS 31 3HZ LYS 31 2.433 -5.761 -12.092 246 HZ2 LYS 31 1HZ LYS 31 2.687 -4.181 -12.638 247 HZ3 LYS 31 2HZ LYS 31 1.227 -4.593 -11.892 248 H PHE 32 H PHE 32 -0.596 0.300 -7.503 249 HA PHE 32 HA PHE 32 -3.386 -0.636 -7.648 250 HB2 PHE 32 2HB PHE 32 -3.369 -1.081 -5.336 251 HB3 PHE 32 1HB PHE 32 -1.821 -1.686 -5.912 252 HD1 PHE 32 1HD PHE 32 0.214 -0.154 -5.632 253 HD2 PHE 32 2HD PHE 32 -3.469 0.433 -3.584 254 HE1 PHE 32 1HE PHE 32 1.372 1.222 -3.952 255 HE2 PHE 32 2HE PHE 32 -2.318 1.811 -1.901 256 HZ PHE 32 HZ PHE 32 0.105 2.206 -2.084 257 H SER 33 H SER 33 -4.967 0.654 -6.428 258 HA SER 33 HA SER 33 -4.263 3.516 -6.464 259 HB2 SER 33 2HB SER 33 -6.831 2.127 -7.230 260 HB3 SER 33 1HB SER 33 -6.750 3.860 -6.915 261 HG SER 33 HG SER 33 -5.038 3.878 -8.555 262 H LEU 34 H LEU 34 -5.714 4.863 -5.045 263 HA LEU 34 HA LEU 34 -5.489 4.053 -2.383 264 HB2 LEU 34 2HB LEU 34 -7.321 6.156 -3.543 265 HB3 LEU 34 1HB LEU 34 -6.879 6.010 -1.852 266 HG LEU 34 HG LEU 34 -4.881 6.525 -4.053 267 HD11 LEU 34 1HD1 LEU 34 -4.893 8.852 -3.301 268 HD12 LEU 34 2HD1 LEU 34 -6.223 8.489 -2.202 269 HD13 LEU 34 3HD1 LEU 34 -6.462 8.371 -3.946 270 HD21 LEU 34 3HD2 LEU 34 -3.295 6.718 -2.433 271 HD22 LEU 34 1HD2 LEU 34 -4.346 5.536 -1.652 272 HD23 LEU 34 2HD2 LEU 34 -4.451 7.240 -1.207 273 H ILE 35 H ILE 35 -8.124 3.723 -4.666 274 HA ILE 35 HA ILE 35 -10.152 3.058 -2.810 275 HB ILE 35 HB ILE 35 -10.649 3.736 -5.117 276 HG12 ILE 35 2HG1 ILE 35 -11.751 0.988 -5.073 277 HG13 ILE 35 1HG1 ILE 35 -12.009 1.942 -3.615 278 HG21 ILE 35 1HG2 ILE 35 -9.790 1.009 -6.028 279 HG22 ILE 35 2HG2 ILE 35 -8.698 2.394 -6.063 280 HG23 ILE 35 3HG2 ILE 35 -10.189 2.424 -7.003 281 HD11 ILE 35 3HD1 ILE 35 -13.195 2.203 -6.281 282 HD12 ILE 35 1HD1 ILE 35 -12.721 3.722 -5.520 283 HD13 ILE 35 2HD1 ILE 35 -13.840 2.635 -4.696 284 H GLU 36 H GLU 36 -7.649 1.189 -4.391 285 HA GLU 36 HA GLU 36 -8.735 -1.364 -3.673 286 HB2 GLU 36 2HB GLU 36 -6.070 -0.463 -4.748 287 HB3 GLU 36 1HB GLU 36 -6.372 -2.138 -4.302 288 HG2 GLU 36 2HG GLU 36 -8.408 -1.950 -5.874 289 HG3 GLU 36 1HG GLU 36 -7.582 -0.528 -6.509 290 H LEU 37 H LEU 37 -6.084 0.661 -2.452 291 HA LEU 37 HA LEU 37 -5.209 -1.063 -0.432 292 HB2 LEU 37 2HB LEU 37 -3.954 0.904 -1.208 293 HB3 LEU 37 1HB LEU 37 -5.154 1.954 -0.479 294 HG LEU 37 HG LEU 37 -4.555 0.991 1.750 295 HD11 LEU 37 1HD1 LEU 37 -3.003 -0.609 2.036 296 HD12 LEU 37 2HD1 LEU 37 -1.985 -0.004 0.731 297 HD13 LEU 37 3HD1 LEU 37 -3.386 -1.008 0.361 298 HD21 LEU 37 3HD2 LEU 37 -2.102 2.028 1.567 299 HD22 LEU 37 1HD2 LEU 37 -3.561 3.019 1.558 300 HD23 LEU 37 2HD2 LEU 37 -2.764 2.610 0.039 301 H ILE 38 H ILE 38 -7.559 1.602 -0.295 302 HA ILE 38 HA ILE 38 -8.156 1.361 2.443 303 HB ILE 38 HB ILE 38 -9.988 2.359 0.258 304 HG12 ILE 38 2HG1 ILE 38 -8.319 4.133 2.000 305 HG13 ILE 38 1HG1 ILE 38 -7.588 3.379 0.587 306 HG21 ILE 38 1HG2 ILE 38 -10.160 2.272 3.189 307 HG22 ILE 38 2HG2 ILE 38 -11.435 2.385 1.977 308 HG23 ILE 38 3HG2 ILE 38 -10.550 3.830 2.462 309 HD11 ILE 38 3HD1 ILE 38 -8.314 5.538 -0.053 310 HD12 ILE 38 1HD1 ILE 38 -9.906 5.286 0.661 311 HD13 ILE 38 2HD1 ILE 38 -9.432 4.382 -0.778 312 H LYS 39 H LYS 39 -9.443 -0.253 -0.403 313 HA LYS 39 HA LYS 39 -11.679 -1.450 0.843 314 HB2 LYS 39 2HB LYS 39 -10.359 -1.560 -1.728 315 HB3 LYS 39 1HB LYS 39 -10.842 -3.170 -1.211 316 HG2 LYS 39 2HG LYS 39 -13.068 -2.688 -1.309 317 HG3 LYS 39 1HG LYS 39 -12.824 -0.971 -0.981 318 HD2 LYS 39 2HD LYS 39 -11.785 -0.792 -3.266 319 HD3 LYS 39 1HD LYS 39 -12.331 -2.444 -3.563 320 HE2 LYS 39 2HE LYS 39 -14.388 -0.613 -2.534 321 HE3 LYS 39 1HE LYS 39 -13.773 -0.218 -4.138 322 HZ1 LYS 39 3HZ LYS 39 -14.759 -2.912 -3.386 323 HZ2 LYS 39 1HZ LYS 39 -14.391 -2.348 -4.939 324 HZ3 LYS 39 2HZ LYS 39 -15.731 -1.734 -4.111 325 H PHE 40 H PHE 40 -8.301 -2.312 0.662 326 HA PHE 40 HA PHE 40 -8.629 -5.006 1.561 327 HB2 PHE 40 2HB PHE 40 -6.653 -4.141 0.260 328 HB3 PHE 40 1HB PHE 40 -6.136 -3.308 1.722 329 HD1 PHE 40 2HD PHE 40 -7.410 -6.735 0.961 330 HD2 PHE 40 1HD PHE 40 -4.363 -4.345 2.727 331 HE1 PHE 40 2HE PHE 40 -6.246 -8.773 1.702 332 HE2 PHE 40 1HE PHE 40 -3.194 -6.378 3.471 333 HZ PHE 40 HZ PHE 40 -4.136 -8.596 2.959 334 H ALA 41 H ALA 41 -7.588 -1.990 3.129 335 HA ALA 41 HA ALA 41 -7.208 -3.085 5.695 336 HB1 ALA 41 1HB ALA 41 -6.856 -0.926 6.423 337 HB2 ALA 41 2HB ALA 41 -8.063 -0.248 5.330 338 HB3 ALA 41 3HB ALA 41 -6.504 -0.781 4.701 339 H LYS 42 H LYS 42 -10.033 -1.707 4.102 340 HA LYS 42 HA LYS 42 -11.717 -1.506 6.330 341 HB2 LYS 42 2HB LYS 42 -11.959 -0.866 3.715 342 HB3 LYS 42 1HB LYS 42 -12.959 -2.310 3.768 343 HG2 LYS 42 2HG LYS 42 -14.541 -1.340 5.089 344 HG3 LYS 42 1HG LYS 42 -13.388 -0.246 5.855 345 HD2 LYS 42 2HD LYS 42 -13.243 0.997 3.696 346 HD3 LYS 42 1HD LYS 42 -14.540 -0.029 3.077 347 HE2 LYS 42 2HE LYS 42 -15.058 1.275 5.670 348 HE3 LYS 42 1HE LYS 42 -14.941 2.354 4.279 349 HZ1 LYS 42 3HZ LYS 42 -17.200 1.704 4.531 350 HZ2 LYS 42 1HZ LYS 42 -16.796 0.064 4.618 351 HZ3 LYS 42 2HZ LYS 42 -16.602 0.906 3.164 352 H SER 43 H SER 43 -11.299 -4.170 4.011 353 HA SER 43 HA SER 43 -13.190 -5.910 5.124 354 HB2 SER 43 2HB SER 43 -10.661 -6.942 3.875 355 HB3 SER 43 1HB SER 43 -12.310 -7.553 3.721 356 HG SER 43 HG SER 43 -12.247 -6.471 1.912 357 H ARG 44 H ARG 44 -9.884 -5.208 6.017 358 HA ARG 44 HA ARG 44 -9.660 -7.435 7.826 359 HB2 ARG 44 2HB ARG 44 -7.936 -5.029 7.268 360 HB3 ARG 44 1HB ARG 44 -7.560 -6.168 8.555 361 HG2 ARG 44 2HG ARG 44 -7.913 -6.982 5.683 362 HG3 ARG 44 1HG ARG 44 -6.358 -6.541 6.389 363 HD2 ARG 44 2HD ARG 44 -8.113 -8.675 7.571 364 HD3 ARG 44 1HD ARG 44 -6.938 -9.021 6.303 365 HE ARG 44 HE ARG 44 -5.465 -7.734 8.167 366 HH11 ARG 44 1HH1 ARG 44 -7.631 -10.465 8.317 367 HH12 ARG 44 2HH1 ARG 44 -6.790 -11.218 9.631 368 HH21 ARG 44 1HH2 ARG 44 -4.358 -8.723 9.894 369 HH22 ARG 44 2HH2 ARG 44 -4.932 -10.230 10.527 370 H GLU 45 H GLU 45 -11.237 -4.482 7.981 371 HA GLU 45 HA GLU 45 -12.230 -3.317 9.660 372 HB2 GLU 45 2HB GLU 45 -11.659 -5.890 11.128 373 HB3 GLU 45 1HB GLU 45 -12.556 -4.558 11.846 374 HG2 GLU 45 2HG GLU 45 -13.952 -4.829 9.592 375 HG3 GLU 45 1HG GLU 45 -13.356 -6.481 9.751 376 H THR 46 H THR 46 -9.694 -2.547 9.183 377 HA THR 46 HA THR 46 -8.917 -1.426 11.707 378 HB THR 46 HB THR 46 -7.697 -3.421 12.062 379 HG1 THR 46 1HG THR 46 -6.435 -1.528 12.374 380 HG21 THR 46 3HG2 THR 46 -6.264 -4.470 10.414 381 HG22 THR 46 1HG2 THR 46 -6.607 -3.183 9.255 382 HG23 THR 46 2HG2 THR 46 -7.888 -4.290 9.748 383 H PHE 47 H PHE 47 -8.756 0.626 11.074 384 HA PHE 47 HA PHE 47 -8.058 1.445 8.458 385 HB2 PHE 47 2HB PHE 47 -8.067 3.714 9.369 386 HB3 PHE 47 1HB PHE 47 -9.460 2.809 9.948 387 HD1 PHE 47 1HD PHE 47 -9.561 2.045 12.277 388 HD2 PHE 47 2HD PHE 47 -6.368 4.477 10.859 389 HE1 PHE 47 1HE PHE 47 -8.945 2.582 14.597 390 HE2 PHE 47 2HE PHE 47 -5.747 5.018 13.178 391 HZ PHE 47 HZ PHE 47 -7.036 4.070 15.050 392 H ILE 48 H ILE 48 -6.180 0.679 11.250 393 HA ILE 48 HA ILE 48 -3.860 2.186 10.604 394 HB ILE 48 HB ILE 48 -3.930 -0.367 12.206 395 HG12 ILE 48 2HG1 ILE 48 -3.951 1.911 13.900 396 HG13 ILE 48 1HG1 ILE 48 -5.255 2.122 12.736 397 HG21 ILE 48 1HG2 ILE 48 -1.722 0.065 12.140 398 HG22 ILE 48 2HG2 ILE 48 -2.118 1.240 13.394 399 HG23 ILE 48 3HG2 ILE 48 -1.958 1.761 11.718 400 HD11 ILE 48 3HD1 ILE 48 -5.174 -0.565 13.815 401 HD12 ILE 48 1HD1 ILE 48 -6.508 0.586 13.731 402 HD13 ILE 48 2HD1 ILE 48 -5.358 0.664 15.067 403 H ILE 49 H ILE 49 -2.687 1.899 8.830 404 HA ILE 49 HA ILE 49 -2.503 -0.774 7.639 405 HB ILE 49 HB ILE 49 -1.558 1.829 6.444 406 HG12 ILE 49 2HG1 ILE 49 -4.194 0.402 6.022 407 HG13 ILE 49 1HG1 ILE 49 -3.983 1.910 6.905 408 HG21 ILE 49 1HG2 ILE 49 -1.059 0.681 4.566 409 HG22 ILE 49 2HG2 ILE 49 -2.394 -0.453 4.773 410 HG23 ILE 49 3HG2 ILE 49 -0.904 -0.666 5.693 411 HD11 ILE 49 3HD1 ILE 49 -3.635 1.418 3.967 412 HD12 ILE 49 1HD1 ILE 49 -3.057 2.880 4.768 413 HD13 ILE 49 2HD1 ILE 49 -4.778 2.494 4.773 414 H ASP 50 H ASP 50 -0.917 -1.856 8.694 415 HA ASP 50 HA ASP 50 1.674 -0.529 9.064 416 HB2 ASP 50 2HB ASP 50 0.767 -3.187 10.185 417 HB3 ASP 50 1HB ASP 50 2.200 -2.273 10.648 418 H ASP 51 H ASP 51 3.470 -2.470 9.037 419 HA ASP 51 HA ASP 51 3.902 -2.994 6.314 420 HB2 ASP 51 2HB ASP 51 5.646 -2.852 8.155 421 HB3 ASP 51 1HB ASP 51 5.190 -4.496 8.594 422 H GLU 52 H GLU 52 2.454 -4.912 8.865 423 HA GLU 52 HA GLU 52 2.472 -7.410 7.589 424 HB2 GLU 52 2HB GLU 52 1.744 -6.614 10.030 425 HB3 GLU 52 1HB GLU 52 0.148 -6.680 9.298 426 HG2 GLU 52 2HG GLU 52 0.184 -8.945 9.081 427 HG3 GLU 52 1HG GLU 52 1.939 -9.015 8.934 428 H ILE 53 H ILE 53 0.166 -4.738 7.461 429 HA ILE 53 HA ILE 53 -1.717 -6.137 5.822 430 HB ILE 53 HB ILE 53 -1.483 -3.150 6.166 431 HG12 ILE 53 2HG1 ILE 53 -1.563 -4.296 8.359 432 HG13 ILE 53 1HG1 ILE 53 -3.020 -3.357 8.044 433 HG21 ILE 53 1HG2 ILE 53 -3.914 -3.214 5.723 434 HG22 ILE 53 2HG2 ILE 53 -3.785 -4.946 5.416 435 HG23 ILE 53 3HG2 ILE 53 -2.951 -3.799 4.367 436 HD11 ILE 53 3HD1 ILE 53 -4.159 -5.176 8.595 437 HD12 ILE 53 1HD1 ILE 53 -2.711 -6.181 8.549 438 HD13 ILE 53 2HD1 ILE 53 -3.619 -5.874 7.068 439 H ALA 54 H ALA 54 0.953 -3.921 5.243 440 HA ALA 54 HA ALA 54 0.429 -3.419 2.514 441 HB1 ALA 54 1HB ALA 54 1.920 -2.014 3.837 442 HB2 ALA 54 2HB ALA 54 2.745 -2.639 2.409 443 HB3 ALA 54 3HB ALA 54 3.058 -3.352 3.990 444 H ASN 55 H ASN 55 2.409 -5.858 4.153 445 HA ASN 55 HA ASN 55 3.506 -7.007 1.823 446 HB2 ASN 55 2HB ASN 55 4.047 -7.310 4.417 447 HB3 ASN 55 1HB ASN 55 3.007 -8.717 4.210 448 HD21 ASN 55 1HD2 ASN 55 5.533 -7.129 2.284 449 HD22 ASN 55 2HD2 ASN 55 6.450 -8.564 1.994 450 H GLU 56 H GLU 56 0.783 -8.068 3.865 451 HA GLU 56 HA GLU 56 0.014 -10.237 2.268 452 HB2 GLU 56 2HB GLU 56 -1.230 -8.635 4.427 453 HB3 GLU 56 1HB GLU 56 -2.333 -9.542 3.402 454 HG2 GLU 56 2HG GLU 56 -0.607 -11.486 3.897 455 HG3 GLU 56 1HG GLU 56 -0.300 -10.507 5.331 456 H PHE 57 H PHE 57 -0.680 -6.822 2.030 457 HA PHE 57 HA PHE 57 -2.883 -6.933 0.293 458 HB2 PHE 57 2HB PHE 57 -2.190 -4.883 1.466 459 HB3 PHE 57 1HB PHE 57 -0.733 -4.810 0.480 460 HD1 PHE 57 2HD PHE 57 -4.330 -5.407 -0.317 461 HD2 PHE 57 1HD PHE 57 -0.850 -3.047 -0.978 462 HE1 PHE 57 2HE PHE 57 -5.543 -4.098 -2.009 463 HE2 PHE 57 1HE PHE 57 -2.059 -1.732 -2.670 464 HZ PHE 57 HZ PHE 57 -4.409 -2.258 -3.189 465 H LEU 58 H LEU 58 0.544 -6.329 -0.508 466 HA LEU 58 HA LEU 58 0.247 -6.440 -3.283 467 HB2 LEU 58 2HB LEU 58 2.691 -7.260 -1.713 468 HB3 LEU 58 1HB LEU 58 2.645 -6.728 -3.383 469 HG LEU 58 HG LEU 58 1.934 -4.994 -1.016 470 HD11 LEU 58 1HD1 LEU 58 4.426 -5.841 -1.584 471 HD12 LEU 58 2HD1 LEU 58 4.058 -4.259 -0.896 472 HD13 LEU 58 3HD1 LEU 58 4.328 -4.424 -2.631 473 HD21 LEU 58 3HD2 LEU 58 2.650 -3.820 -3.615 474 HD22 LEU 58 1HD2 LEU 58 1.411 -3.344 -2.456 475 HD23 LEU 58 2HD2 LEU 58 1.111 -4.677 -3.571 476 H LYS 59 H LYS 59 0.612 -8.981 -0.910 477 HA LYS 59 HA LYS 59 1.178 -11.054 -2.798 478 HB2 LYS 59 2HB LYS 59 1.778 -11.107 -0.352 479 HB3 LYS 59 1HB LYS 59 0.073 -11.363 -0.004 480 HG2 LYS 59 2HG LYS 59 0.615 -13.530 -0.077 481 HG3 LYS 59 1HG LYS 59 0.530 -13.318 -1.826 482 HD2 LYS 59 2HD LYS 59 2.796 -13.366 -2.080 483 HD3 LYS 59 1HD LYS 59 3.097 -12.661 -0.489 484 HE2 LYS 59 2HE LYS 59 3.827 -14.841 -0.218 485 HE3 LYS 59 1HE LYS 59 2.182 -14.908 0.411 486 HZ1 LYS 59 3HZ LYS 59 3.058 -16.672 -1.295 487 HZ2 LYS 59 1HZ LYS 59 2.606 -15.497 -2.427 488 HZ3 LYS 59 2HZ LYS 59 1.458 -16.125 -1.356 489 H SER 60 H SER 60 -1.701 -9.573 -1.552 490 HA SER 60 HA SER 60 -3.436 -11.710 -2.444 491 HB2 SER 60 2HB SER 60 -5.200 -10.523 -1.445 492 HB3 SER 60 1HB SER 60 -3.817 -10.165 -0.408 493 HG SER 60 HG SER 60 -3.574 -8.215 -1.705 494 H ILE 61 H ILE 61 -2.246 -8.662 -3.631 495 HA ILE 61 HA ILE 61 -4.173 -8.647 -5.825 496 HB ILE 61 HB ILE 61 -3.145 -6.492 -6.453 497 HG12 ILE 61 2HG1 ILE 61 -1.653 -6.371 -3.884 498 HG13 ILE 61 1HG1 ILE 61 -0.927 -7.310 -5.186 499 HG21 ILE 61 1HG2 ILE 61 -3.678 -6.122 -3.575 500 HG22 ILE 61 2HG2 ILE 61 -4.919 -6.969 -4.495 501 HG23 ILE 61 3HG2 ILE 61 -4.417 -5.349 -4.978 502 HD11 ILE 61 3HD1 ILE 61 -0.264 -5.476 -6.238 503 HD12 ILE 61 1HD1 ILE 61 -0.716 -4.585 -4.786 504 HD13 ILE 61 2HD1 ILE 61 -1.862 -4.740 -6.117 505 H GLY 62 H GLY 62 -1.992 -10.677 -5.558 506 HA2 GLY 62 2HA GLY 62 -0.465 -11.745 -6.897 507 HA3 GLY 62 1HA GLY 62 -1.323 -10.988 -8.229 508 H ALA 63 H ALA 63 0.488 -9.343 -5.682 509 HA ALA 63 HA ALA 63 2.262 -8.266 -7.767 510 HB1 ALA 63 1HB ALA 63 1.403 -6.367 -6.886 511 HB2 ALA 63 2HB ALA 63 2.701 -6.604 -5.716 512 HB3 ALA 63 3HB ALA 63 1.056 -7.114 -5.327 513 H GLU 64 H GLU 64 4.468 -7.582 -6.838 514 HA GLU 64 HA GLU 64 6.501 -8.219 -6.041 515 HB2 GLU 64 2HB GLU 64 4.741 -9.353 -3.869 516 HB3 GLU 64 1HB GLU 64 6.496 -9.392 -3.794 517 HG2 GLU 64 2HG GLU 64 5.770 -6.740 -4.397 518 HG3 GLU 64 1HG GLU 64 4.706 -7.282 -3.100 519 H VAL 65 H VAL 65 6.855 -9.566 -7.866 520 HA VAL 65 HA VAL 65 6.054 -12.232 -8.101 521 HB VAL 65 HB VAL 65 8.636 -11.093 -9.170 522 HG11 VAL 65 1HG1 VAL 65 8.456 -12.755 -10.874 523 HG12 VAL 65 2HG1 VAL 65 6.854 -13.234 -10.315 524 HG13 VAL 65 3HG1 VAL 65 8.271 -13.561 -9.317 525 HG21 VAL 65 3HG2 VAL 65 5.814 -10.814 -10.164 526 HG22 VAL 65 1HG2 VAL 65 7.208 -10.639 -11.228 527 HG23 VAL 65 2HG2 VAL 65 7.002 -9.546 -9.859 528 H GLU 66 H GLU 66 8.738 -10.781 -6.381 529 HA GLU 66 HA GLU 66 9.333 -13.409 -5.213 530 HB2 GLU 66 2HB GLU 66 11.222 -11.546 -6.581 531 HB3 GLU 66 1HB GLU 66 11.800 -12.451 -5.189 532 HG2 GLU 66 2HG GLU 66 10.837 -14.505 -6.431 533 HG3 GLU 66 1HG GLU 66 10.889 -13.455 -7.848 534 H LEU 67 H LEU 67 10.459 -13.279 -3.139 535 HA LEU 67 HA LEU 67 10.520 -10.728 -1.785 536 HB2 LEU 67 2HB LEU 67 8.153 -11.383 -1.599 537 HB3 LEU 67 1HB LEU 67 8.637 -12.899 -0.859 538 HG LEU 67 HG LEU 67 9.824 -11.228 0.856 539 HD11 LEU 67 1HD1 LEU 67 7.356 -9.662 0.483 540 HD12 LEU 67 2HD1 LEU 67 8.636 -9.385 -0.698 541 HD13 LEU 67 3HD1 LEU 67 8.958 -9.154 1.021 542 HD21 LEU 67 3HD2 LEU 67 8.446 -12.691 1.895 543 HD22 LEU 67 1HD2 LEU 67 7.143 -12.465 0.728 544 HD23 LEU 67 2HD2 LEU 67 7.405 -11.271 1.998 545 HA PRO 68 HA PRO 68 13.935 -13.613 -0.567 546 HB2 PRO 68 2HB PRO 68 14.935 -10.938 0.288 547 HB3 PRO 68 1HB PRO 68 15.782 -12.240 -0.555 548 HG2 PRO 68 2HG PRO 68 14.980 -10.071 -1.873 549 HG3 PRO 68 1HG PRO 68 14.871 -11.678 -2.614 550 HD2 PRO 68 2HD PRO 68 12.715 -9.978 -1.447 551 HD3 PRO 68 1HD PRO 68 12.660 -11.073 -2.842 552 H GLN 69 H GLN 69 13.974 -14.602 1.349 553 HA GLN 69 HA GLN 69 13.722 -13.131 3.817 554 HB2 GLN 69 2HB GLN 69 11.358 -13.880 2.768 555 HB3 GLN 69 1HB GLN 69 11.767 -15.352 3.641 556 HG2 GLN 69 2HG GLN 69 11.926 -14.142 5.709 557 HG3 GLN 69 1HG GLN 69 11.699 -12.608 4.873 558 HE21 GLN 69 1HE2 GLN 69 9.807 -11.865 5.545 559 HE22 GLN 69 2HE2 GLN 69 8.318 -12.741 5.530 560 H GLU 70 H GLU 70 15.026 -14.028 5.271 561 HA GLU 70 HA GLU 70 16.402 -15.502 6.322 562 HB2 GLU 70 2HB GLU 70 14.392 -17.485 5.244 563 HB3 GLU 70 1HB GLU 70 15.654 -17.886 6.402 564 HG2 GLU 70 2HG GLU 70 14.407 -15.717 7.551 565 HG3 GLU 70 1HG GLU 70 13.079 -16.611 6.812 566 H ILE 71 H ILE 71 17.573 -17.797 5.847 567 HA ILE 71 HA ILE 71 19.035 -17.319 3.387 568 HB ILE 71 HB ILE 71 20.554 -19.092 4.194 569 HG12 ILE 71 2HG1 ILE 71 18.814 -19.130 6.668 570 HG13 ILE 71 1HG1 ILE 71 18.770 -20.371 5.419 571 HG21 ILE 71 1HG2 ILE 71 20.872 -16.726 4.816 572 HG22 ILE 71 2HG2 ILE 71 21.491 -17.842 6.034 573 HG23 ILE 71 3HG2 ILE 71 19.955 -17.015 6.295 574 HD11 ILE 71 3HD1 ILE 71 21.007 -21.028 5.893 575 HD12 ILE 71 1HD1 ILE 71 20.128 -20.948 7.420 576 HD13 ILE 71 2HD1 ILE 71 21.239 -19.652 6.973 577 H LYS 72 H LYS 72 19.798 -19.440 2.245 578 HA LYS 72 HA LYS 72 17.564 -20.550 0.956 579 HB2 LYS 72 2HB LYS 72 20.461 -21.392 1.027 580 HB3 LYS 72 1HB LYS 72 19.260 -22.184 0.016 581 HG2 LYS 72 2HG LYS 72 19.408 -19.251 -0.222 582 HG3 LYS 72 1HG LYS 72 20.807 -20.152 -0.809 583 HD2 LYS 72 2HD LYS 72 18.194 -21.237 -1.615 584 HD3 LYS 72 1HD LYS 72 18.580 -19.646 -2.275 585 HE2 LYS 72 2HE LYS 72 19.697 -20.765 -3.857 586 HE3 LYS 72 1HE LYS 72 20.930 -21.008 -2.622 587 HZ1 LYS 72 3HZ LYS 72 19.634 -23.077 -2.014 588 HZ2 LYS 72 1HZ LYS 72 20.479 -23.120 -3.479 589 HZ3 LYS 72 2HZ LYS 72 18.805 -22.881 -3.474 Start of MODEL 13 1 H MET 1 H MET 1 3.231 16.423 -4.624 2 HA MET 1 HA MET 1 4.241 13.678 -4.466 3 HB2 MET 1 2HB MET 1 5.277 16.318 -4.126 4 HB3 MET 1 1HB MET 1 5.296 15.519 -2.561 5 HG2 MET 1 2HG MET 1 7.385 15.098 -3.556 6 HG3 MET 1 1HG MET 1 6.467 13.598 -3.673 7 HE1 MET 1 2HE MET 1 8.818 13.997 -6.923 8 HE2 MET 1 3HE MET 1 8.557 13.020 -5.476 9 HE3 MET 1 1HE MET 1 9.133 14.680 -5.328 10 H ASP 2 H ASP 2 4.152 12.628 -2.435 11 HA ASP 2 HA ASP 2 3.124 11.881 -0.550 12 HB2 ASP 2 2HB ASP 2 3.102 14.838 -0.238 13 HB3 ASP 2 1HB ASP 2 2.071 13.910 0.848 14 H GLU 3 H GLU 3 1.621 12.024 -3.010 15 HA GLU 3 HA GLU 3 -1.038 12.902 -2.454 16 HB2 GLU 3 2HB GLU 3 0.365 11.539 -4.660 17 HB3 GLU 3 1HB GLU 3 -1.336 11.123 -4.497 18 HG2 GLU 3 2HG GLU 3 -1.521 13.784 -4.310 19 HG3 GLU 3 1HG GLU 3 -0.070 13.661 -5.303 20 H PHE 4 H PHE 4 0.714 9.906 -2.064 21 HA PHE 4 HA PHE 4 -1.497 8.188 -1.704 22 HB2 PHE 4 2HB PHE 4 0.826 7.416 -2.147 23 HB3 PHE 4 1HB PHE 4 1.276 7.925 -0.523 24 HD1 PHE 4 1HD PHE 4 -1.445 5.900 -2.091 25 HD2 PHE 4 2HD PHE 4 1.463 6.233 0.999 26 HE1 PHE 4 1HE PHE 4 -2.125 3.701 -1.220 27 HE2 PHE 4 2HE PHE 4 0.788 4.035 1.875 28 HZ PHE 4 HZ PHE 4 -1.007 2.766 0.765 29 H VAL 5 H VAL 5 0.503 9.994 0.609 30 HA VAL 5 HA VAL 5 -0.897 9.079 2.911 31 HB VAL 5 HB VAL 5 0.251 10.925 4.097 32 HG11 VAL 5 1HG1 VAL 5 2.429 9.827 2.452 33 HG12 VAL 5 2HG1 VAL 5 1.319 8.638 3.131 34 HG13 VAL 5 3HG1 VAL 5 2.174 9.755 4.195 35 HG21 VAL 5 3HG2 VAL 5 0.173 12.557 2.242 36 HG22 VAL 5 1HG2 VAL 5 1.394 11.611 1.390 37 HG23 VAL 5 2HG2 VAL 5 1.788 12.379 2.927 38 H LYS 6 H LYS 6 -1.242 11.839 0.766 39 HA LYS 6 HA LYS 6 -3.056 13.305 2.372 40 HB2 LYS 6 2HB LYS 6 -1.693 14.088 0.328 41 HB3 LYS 6 1HB LYS 6 -2.999 13.411 -0.633 42 HG2 LYS 6 2HG LYS 6 -4.153 15.276 -0.381 43 HG3 LYS 6 1HG LYS 6 -4.172 15.031 1.366 44 HD2 LYS 6 2HD LYS 6 -2.635 16.624 1.713 45 HD3 LYS 6 1HD LYS 6 -1.628 16.062 0.377 46 HE2 LYS 6 2HE LYS 6 -3.345 17.153 -1.157 47 HE3 LYS 6 1HE LYS 6 -3.971 17.941 0.290 48 HZ1 LYS 6 3HZ LYS 6 -2.223 19.323 0.394 49 HZ2 LYS 6 1HZ LYS 6 -2.042 18.957 -1.248 50 HZ3 LYS 6 2HZ LYS 6 -1.108 18.150 -0.091 51 H GLY 7 H GLY 7 -3.483 10.851 -0.132 52 HA2 GLY 7 2HA GLY 7 -6.331 11.084 -0.223 53 HA3 GLY 7 1HA GLY 7 -5.371 9.781 -0.906 54 H LEU 8 H LEU 8 -4.092 9.263 1.730 55 HA LEU 8 HA LEU 8 -6.096 7.434 2.707 56 HB2 LEU 8 2HB LEU 8 -3.218 7.960 3.369 57 HB3 LEU 8 1HB LEU 8 -4.196 6.937 4.403 58 HG LEU 8 HG LEU 8 -4.193 6.296 1.505 59 HD11 LEU 8 1HD1 LEU 8 -1.767 6.810 2.582 60 HD12 LEU 8 2HD1 LEU 8 -2.061 5.612 1.320 61 HD13 LEU 8 3HD1 LEU 8 -1.963 5.110 3.007 62 HD21 LEU 8 3HD2 LEU 8 -5.437 4.750 2.612 63 HD22 LEU 8 1HD2 LEU 8 -4.522 4.922 4.111 64 HD23 LEU 8 2HD2 LEU 8 -3.855 3.984 2.773 65 H MET 9 H MET 9 -4.290 10.193 4.035 66 HA MET 9 HA MET 9 -5.385 10.200 6.592 67 HB2 MET 9 2HB MET 9 -3.635 11.810 5.152 68 HB3 MET 9 1HB MET 9 -4.960 12.888 5.559 69 HG2 MET 9 2HG MET 9 -4.404 12.958 7.717 70 HG3 MET 9 1HG MET 9 -4.073 11.229 7.788 71 HE1 MET 9 3HE MET 9 -0.566 10.732 6.808 72 HE2 MET 9 1HE MET 9 -1.339 11.295 5.327 73 HE3 MET 9 2HE MET 9 -2.218 10.240 6.435 74 H LYS 10 H LYS 10 -6.726 11.283 3.569 75 HA LYS 10 HA LYS 10 -8.747 12.974 4.522 76 HB2 LYS 10 2HB LYS 10 -8.505 11.274 2.051 77 HB3 LYS 10 1HB LYS 10 -9.935 12.250 2.358 78 HG2 LYS 10 2HG LYS 10 -7.384 13.678 2.613 79 HG3 LYS 10 1HG LYS 10 -7.763 13.095 0.991 80 HD2 LYS 10 2HD LYS 10 -9.604 14.445 0.789 81 HD3 LYS 10 1HD LYS 10 -9.899 14.487 2.528 82 HE2 LYS 10 2HE LYS 10 -8.658 16.326 2.797 83 HE3 LYS 10 1HE LYS 10 -7.359 15.699 1.783 84 HZ1 LYS 10 3HZ LYS 10 -9.784 16.539 0.410 85 HZ2 LYS 10 1HZ LYS 10 -8.163 16.727 -0.039 86 HZ3 LYS 10 2HZ LYS 10 -8.853 17.771 1.098 87 H ASN 11 H ASN 11 -8.533 9.490 4.330 88 HA ASN 11 HA ASN 11 -11.306 9.236 5.249 89 HB2 ASN 11 2HB ASN 11 -9.364 7.283 4.030 90 HB3 ASN 11 1HB ASN 11 -10.836 6.744 4.834 91 HD21 ASN 11 1HD2 ASN 11 -12.861 7.419 3.975 92 HD22 ASN 11 2HD2 ASN 11 -13.008 7.831 2.304 93 H GLY 12 H GLY 12 -9.058 10.153 6.938 94 HA2 GLY 12 2HA GLY 12 -8.264 9.832 9.068 95 HA3 GLY 12 1HA GLY 12 -9.697 8.845 9.312 96 H TYR 13 H TYR 13 -7.156 8.144 6.984 97 HA TYR 13 HA TYR 13 -6.622 5.650 8.434 98 HB2 TYR 13 2HB TYR 13 -6.540 6.458 5.577 99 HB3 TYR 13 1HB TYR 13 -5.343 5.278 6.100 100 HD1 TYR 13 2HD TYR 13 -6.047 3.071 6.911 101 HD2 TYR 13 1HD TYR 13 -8.877 5.894 5.454 102 HE1 TYR 13 2HE TYR 13 -7.723 1.283 6.716 103 HE2 TYR 13 1HE TYR 13 -10.561 4.113 5.255 104 HH TYR 13 HH TYR 13 -9.977 1.038 5.106 105 H LEU 14 H LEU 14 -4.383 4.855 8.467 106 HA LEU 14 HA LEU 14 -2.367 6.987 8.404 107 HB2 LEU 14 2HB LEU 14 -2.829 5.064 10.683 108 HB3 LEU 14 1HB LEU 14 -1.426 6.105 10.534 109 HG LEU 14 HG LEU 14 -4.264 7.110 10.747 110 HD11 LEU 14 1HD1 LEU 14 -4.028 6.368 12.869 111 HD12 LEU 14 2HD1 LEU 14 -3.127 7.873 13.042 112 HD13 LEU 14 3HD1 LEU 14 -2.267 6.355 12.789 113 HD21 LEU 14 3HD2 LEU 14 -2.682 8.607 9.593 114 HD22 LEU 14 1HD2 LEU 14 -1.629 8.555 11.007 115 HD23 LEU 14 2HD2 LEU 14 -3.239 9.265 11.131 116 H ILE 15 H ILE 15 -0.109 5.942 8.821 117 HA ILE 15 HA ILE 15 0.236 3.227 8.010 118 HB ILE 15 HB ILE 15 -0.322 4.199 5.825 119 HG12 ILE 15 2HG1 ILE 15 2.620 3.517 6.018 120 HG13 ILE 15 1HG1 ILE 15 1.320 2.329 6.037 121 HG21 ILE 15 1HG2 ILE 15 2.089 5.952 6.278 122 HG22 ILE 15 2HG2 ILE 15 0.408 6.482 6.223 123 HG23 ILE 15 3HG2 ILE 15 1.175 5.830 4.775 124 HD11 ILE 15 3HD1 ILE 15 2.134 4.138 3.785 125 HD12 ILE 15 1HD1 ILE 15 0.631 3.217 3.790 126 HD13 ILE 15 2HD1 ILE 15 2.180 2.376 3.842 127 H THR 16 H THR 16 2.326 2.499 8.330 128 HA THR 16 HA THR 16 4.029 4.286 9.858 129 HB THR 16 HB THR 16 5.352 2.300 10.380 130 HG1 THR 16 1HG THR 16 3.531 0.900 8.687 131 HG21 THR 16 3HG2 THR 16 2.367 2.076 10.666 132 HG22 THR 16 1HG2 THR 16 3.555 2.579 11.868 133 HG23 THR 16 2HG2 THR 16 3.460 0.888 11.377 134 HA PRO 17 HA PRO 17 6.977 5.412 6.791 135 HB2 PRO 17 2HB PRO 17 9.056 4.394 8.668 136 HB3 PRO 17 1HB PRO 17 8.929 5.967 7.875 137 HG2 PRO 17 2HG PRO 17 8.331 5.699 10.455 138 HG3 PRO 17 1HG PRO 17 7.374 6.760 9.404 139 HD2 PRO 17 2HD PRO 17 6.715 4.055 10.474 140 HD3 PRO 17 1HD PRO 17 5.651 5.444 10.183 141 H SER 18 H SER 18 7.193 2.245 8.285 142 HA SER 18 HA SER 18 9.030 1.095 6.471 143 HB2 SER 18 2HB SER 18 6.866 -0.405 7.949 144 HB3 SER 18 1HB SER 18 8.440 -1.005 7.433 145 HG SER 18 HG SER 18 8.856 -0.526 9.472 146 H ALA 19 H ALA 19 5.479 1.094 6.579 147 HA ALA 19 HA ALA 19 5.270 -0.339 4.088 148 HB1 ALA 19 1HB ALA 19 3.312 0.844 6.011 149 HB2 ALA 19 2HB ALA 19 3.507 -0.832 5.500 150 HB3 ALA 19 3HB ALA 19 2.787 0.345 4.403 151 H TYR 20 H TYR 20 5.186 2.986 5.150 152 HA TYR 20 HA TYR 20 3.980 4.169 2.918 153 HB2 TYR 20 2HB TYR 20 4.370 5.392 4.997 154 HB3 TYR 20 1HB TYR 20 6.110 5.283 4.755 155 HD1 TYR 20 1HD TYR 20 3.400 6.152 2.345 156 HD2 TYR 20 2HD TYR 20 6.850 7.465 4.457 157 HE1 TYR 20 1HE TYR 20 3.351 8.269 1.095 158 HE2 TYR 20 2HE TYR 20 6.811 9.587 3.214 159 HH TYR 20 HH TYR 20 5.508 10.130 0.543 160 H TYR 21 H TYR 21 7.439 3.680 3.620 161 HA TYR 21 HA TYR 21 8.476 4.754 1.281 162 HB2 TYR 21 2HB TYR 21 9.448 2.675 3.205 163 HB3 TYR 21 1HB TYR 21 10.355 2.983 1.728 164 HD1 TYR 21 1HD TYR 21 10.445 5.753 1.321 165 HD2 TYR 21 2HD TYR 21 10.391 3.686 5.040 166 HE1 TYR 21 1HE TYR 21 11.546 7.670 2.396 167 HE2 TYR 21 2HE TYR 21 11.492 5.598 6.126 168 HH TYR 21 HH TYR 21 12.896 7.505 5.514 169 H LEU 22 H LEU 22 6.825 1.754 1.781 170 HA LEU 22 HA LEU 22 7.721 0.670 -0.771 171 HB2 LEU 22 2HB LEU 22 5.719 -0.529 1.134 172 HB3 LEU 22 1HB LEU 22 6.591 -1.344 -0.152 173 HG LEU 22 HG LEU 22 7.882 -0.193 2.323 174 HD11 LEU 22 1HD1 LEU 22 7.196 -3.051 1.648 175 HD12 LEU 22 2HD1 LEU 22 6.423 -2.062 2.887 176 HD13 LEU 22 3HD1 LEU 22 8.120 -2.513 3.050 177 HD21 LEU 22 3HD2 LEU 22 8.904 -1.746 -0.032 178 HD22 LEU 22 1HD2 LEU 22 9.745 -1.752 1.518 179 HD23 LEU 22 2HD2 LEU 22 9.512 -0.236 0.647 180 H LEU 23 H LEU 23 4.580 1.308 0.803 181 HA LEU 23 HA LEU 23 3.011 0.983 -1.486 182 HB2 LEU 23 2HB LEU 23 2.593 2.532 1.056 183 HB3 LEU 23 1HB LEU 23 1.378 2.493 -0.208 184 HG LEU 23 HG LEU 23 2.445 0.081 1.261 185 HD11 LEU 23 1HD1 LEU 23 0.746 0.239 2.715 186 HD12 LEU 23 2HD1 LEU 23 -0.386 0.807 1.487 187 HD13 LEU 23 3HD1 LEU 23 0.731 1.940 2.251 188 HD21 LEU 23 3HD2 LEU 23 1.157 0.287 -1.246 189 HD22 LEU 23 1HD2 LEU 23 -0.022 -0.358 -0.104 190 HD23 LEU 23 2HD2 LEU 23 1.526 -1.171 -0.324 191 H VAL 24 H VAL 24 4.867 3.712 -0.349 192 HA VAL 24 HA VAL 24 3.689 5.775 -1.805 193 HB VAL 24 HB VAL 24 5.408 6.156 -0.090 194 HG11 VAL 24 1HG1 VAL 24 7.649 5.606 -0.322 195 HG12 VAL 24 2HG1 VAL 24 7.526 5.414 -2.071 196 HG13 VAL 24 3HG1 VAL 24 6.831 4.197 -0.999 197 HG21 VAL 24 3HG2 VAL 24 4.892 7.777 -2.012 198 HG22 VAL 24 1HG2 VAL 24 6.457 7.289 -2.660 199 HG23 VAL 24 2HG2 VAL 24 6.359 8.048 -1.072 200 H GLY 25 H GLY 25 6.228 3.487 -2.760 201 HA2 GLY 25 2HA GLY 25 6.478 4.643 -5.392 202 HA3 GLY 25 1HA GLY 25 7.275 3.190 -4.808 203 H HIS 26 H HIS 26 4.868 1.855 -3.969 204 HA HIS 26 HA HIS 26 4.162 0.631 -6.431 205 HB2 HIS 26 2HB HIS 26 4.094 -0.165 -3.835 206 HB3 HIS 26 1HB HIS 26 2.388 0.171 -4.114 207 HD1 HIS 26 1HD HIS 26 5.191 -2.012 -5.387 208 HD2 HIS 26 2HD HIS 26 1.050 -1.720 -5.600 209 HE1 HIS 26 1HE HIS 26 4.422 -4.134 -6.498 210 HE2 HIS 26 2HE HIS 26 1.908 -3.972 -6.538 211 H PHE 27 H PHE 27 2.900 3.312 -4.697 212 HA PHE 27 HA PHE 27 0.328 3.186 -6.075 213 HB2 PHE 27 2HB PHE 27 0.389 3.765 -3.663 214 HB3 PHE 27 1HB PHE 27 1.328 5.202 -4.053 215 HD1 PHE 27 2HD PHE 27 -1.901 3.545 -4.888 216 HD2 PHE 27 1HD PHE 27 0.237 7.195 -4.424 217 HE1 PHE 27 2HE PHE 27 -3.985 4.807 -5.238 218 HE2 PHE 27 1HE PHE 27 -1.843 8.463 -4.774 219 HZ PHE 27 HZ PHE 27 -3.957 7.268 -5.182 220 H ASN 28 H ASN 28 3.168 5.289 -5.792 221 HA ASN 28 HA ASN 28 2.299 7.301 -7.549 222 HB2 ASN 28 2HB ASN 28 4.917 6.433 -6.436 223 HB3 ASN 28 1HB ASN 28 4.954 7.468 -7.860 224 HD21 ASN 28 1HD2 ASN 28 2.743 7.393 -5.100 225 HD22 ASN 28 2HD2 ASN 28 3.035 9.020 -4.598 226 H GLU 29 H GLU 29 4.149 4.336 -8.118 227 HA GLU 29 HA GLU 29 4.727 4.749 -10.825 228 HB2 GLU 29 2HB GLU 29 5.400 2.848 -9.059 229 HB3 GLU 29 1HB GLU 29 4.137 1.981 -9.922 230 HG2 GLU 29 2HG GLU 29 5.523 1.531 -11.580 231 HG3 GLU 29 1HG GLU 29 5.854 3.245 -11.814 232 H GLY 30 H GLY 30 1.831 3.613 -9.228 233 HA2 GLY 30 2HA GLY 30 -0.315 3.853 -10.234 234 HA3 GLY 30 1HA GLY 30 0.444 3.722 -11.813 235 H LYS 31 H LYS 31 1.233 1.526 -9.219 236 HA LYS 31 HA LYS 31 0.434 -0.718 -10.826 237 HB2 LYS 31 2HB LYS 31 1.658 -0.449 -8.088 238 HB3 LYS 31 1HB LYS 31 1.158 -2.009 -8.729 239 HG2 LYS 31 2HG LYS 31 2.671 -0.938 -10.770 240 HG3 LYS 31 1HG LYS 31 3.520 -0.423 -9.311 241 HD2 LYS 31 2HD LYS 31 4.467 -2.499 -9.813 242 HD3 LYS 31 1HD LYS 31 3.288 -2.864 -8.551 243 HE2 LYS 31 2HE LYS 31 1.698 -3.627 -10.203 244 HE3 LYS 31 1HE LYS 31 2.783 -3.154 -11.509 245 HZ1 LYS 31 3HZ LYS 31 3.877 -4.992 -9.543 246 HZ2 LYS 31 1HZ LYS 31 4.063 -4.969 -11.225 247 HZ3 LYS 31 2HZ LYS 31 2.661 -5.617 -10.536 248 H PHE 32 H PHE 32 -0.512 0.463 -7.595 249 HA PHE 32 HA PHE 32 -3.083 -0.930 -7.961 250 HB2 PHE 32 2HB PHE 32 -3.193 -1.371 -5.644 251 HB3 PHE 32 1HB PHE 32 -1.532 -1.739 -6.097 252 HD1 PHE 32 1HD PHE 32 0.225 0.087 -5.686 253 HD2 PHE 32 2HD PHE 32 -3.642 0.095 -3.910 254 HE1 PHE 32 1HE PHE 32 1.035 1.615 -3.934 255 HE2 PHE 32 2HE PHE 32 -2.840 1.624 -2.157 256 HZ PHE 32 HZ PHE 32 -0.498 2.384 -2.168 257 H SER 33 H SER 33 -4.894 0.085 -6.655 258 HA SER 33 HA SER 33 -4.712 3.018 -6.877 259 HB2 SER 33 2HB SER 33 -6.255 1.857 -8.502 260 HB3 SER 33 1HB SER 33 -7.229 1.359 -7.119 261 HG SER 33 HG SER 33 -6.590 4.052 -7.743 262 H LEU 34 H LEU 34 -5.979 4.269 -5.369 263 HA LEU 34 HA LEU 34 -5.646 3.472 -2.705 264 HB2 LEU 34 2HB LEU 34 -6.927 5.728 -4.115 265 HB3 LEU 34 1HB LEU 34 -7.521 5.418 -2.495 266 HG LEU 34 HG LEU 34 -4.660 6.002 -3.261 267 HD11 LEU 34 1HD1 LEU 34 -6.642 7.795 -3.066 268 HD12 LEU 34 2HD1 LEU 34 -4.977 8.136 -2.595 269 HD13 LEU 34 3HD1 LEU 34 -6.168 7.693 -1.371 270 HD21 LEU 34 3HD2 LEU 34 -4.481 4.549 -1.446 271 HD22 LEU 34 1HD2 LEU 34 -5.930 5.190 -0.669 272 HD23 LEU 34 2HD2 LEU 34 -4.452 6.151 -0.707 273 H ILE 35 H ILE 35 -8.468 3.384 -4.825 274 HA ILE 35 HA ILE 35 -10.404 2.695 -2.930 275 HB ILE 35 HB ILE 35 -10.935 3.367 -5.242 276 HG12 ILE 35 2HG1 ILE 35 -12.614 1.402 -5.661 277 HG13 ILE 35 1HG1 ILE 35 -12.019 0.806 -4.114 278 HG21 ILE 35 1HG2 ILE 35 -10.805 1.668 -7.043 279 HG22 ILE 35 2HG2 ILE 35 -9.879 0.635 -5.951 280 HG23 ILE 35 3HG2 ILE 35 -9.227 2.194 -6.457 281 HD11 ILE 35 3HD1 ILE 35 -14.128 2.264 -4.151 282 HD12 ILE 35 1HD1 ILE 35 -13.016 3.611 -4.394 283 HD13 ILE 35 2HD1 ILE 35 -12.888 2.611 -2.947 284 H GLU 36 H GLU 36 -7.975 0.764 -4.538 285 HA GLU 36 HA GLU 36 -9.106 -1.762 -3.771 286 HB2 GLU 36 2HB GLU 36 -6.396 -0.993 -4.860 287 HB3 GLU 36 1HB GLU 36 -6.871 -2.652 -4.523 288 HG2 GLU 36 2HG GLU 36 -8.937 -1.762 -6.077 289 HG3 GLU 36 1HG GLU 36 -7.547 -0.924 -6.770 290 H LEU 37 H LEU 37 -6.527 0.336 -2.572 291 HA LEU 37 HA LEU 37 -5.568 -1.422 -0.581 292 HB2 LEU 37 2HB LEU 37 -4.277 0.490 -1.377 293 HB3 LEU 37 1HB LEU 37 -5.472 1.593 -0.722 294 HG LEU 37 HG LEU 37 -4.925 0.691 1.563 295 HD11 LEU 37 1HD1 LEU 37 -2.831 -0.738 -0.041 296 HD12 LEU 37 2HD1 LEU 37 -3.944 -1.392 1.162 297 HD13 LEU 37 3HD1 LEU 37 -2.601 -0.365 1.667 298 HD21 LEU 37 3HD2 LEU 37 -4.016 2.776 1.157 299 HD22 LEU 37 1HD2 LEU 37 -2.976 2.186 -0.141 300 HD23 LEU 37 2HD2 LEU 37 -2.586 1.818 1.538 301 H ILE 38 H ILE 38 -7.948 1.209 -0.482 302 HA ILE 38 HA ILE 38 -8.475 1.044 2.287 303 HB ILE 38 HB ILE 38 -10.356 1.997 0.122 304 HG12 ILE 38 2HG1 ILE 38 -8.547 3.747 1.771 305 HG13 ILE 38 1HG1 ILE 38 -7.988 3.036 0.261 306 HG21 ILE 38 1HG2 ILE 38 -11.551 1.709 2.155 307 HG22 ILE 38 2HG2 ILE 38 -11.227 3.435 1.990 308 HG23 ILE 38 3HG2 ILE 38 -10.259 2.457 3.095 309 HD11 ILE 38 3HD1 ILE 38 -10.392 4.146 -0.446 310 HD12 ILE 38 1HD1 ILE 38 -8.802 4.866 -0.702 311 HD13 ILE 38 2HD1 ILE 38 -9.746 5.300 0.723 312 H LYS 39 H LYS 39 -9.825 -0.609 -0.509 313 HA LYS 39 HA LYS 39 -12.044 -1.779 0.776 314 HB2 LYS 39 2HB LYS 39 -10.745 -1.947 -1.793 315 HB3 LYS 39 1HB LYS 39 -11.184 -3.555 -1.232 316 HG2 LYS 39 2HG LYS 39 -13.400 -3.168 -1.418 317 HG3 LYS 39 1HG LYS 39 -13.252 -1.467 -0.971 318 HD2 LYS 39 2HD LYS 39 -13.810 -1.298 -3.199 319 HD3 LYS 39 1HD LYS 39 -12.047 -1.272 -3.285 320 HE2 LYS 39 2HE LYS 39 -13.615 -3.823 -3.515 321 HE3 LYS 39 1HE LYS 39 -13.293 -2.799 -4.914 322 HZ1 LYS 39 3HZ LYS 39 -11.460 -4.072 -5.045 323 HZ2 LYS 39 1HZ LYS 39 -11.489 -4.504 -3.409 324 HZ3 LYS 39 2HZ LYS 39 -10.852 -3.010 -3.878 325 H PHE 40 H PHE 40 -8.669 -2.638 0.640 326 HA PHE 40 HA PHE 40 -9.060 -5.290 1.697 327 HB2 PHE 40 2HB PHE 40 -7.162 -4.712 0.194 328 HB3 PHE 40 1HB PHE 40 -6.505 -3.686 1.465 329 HD1 PHE 40 2HD PHE 40 -5.639 -4.688 3.538 330 HD2 PHE 40 1HD PHE 40 -6.934 -7.078 0.264 331 HE1 PHE 40 2HE PHE 40 -4.447 -6.622 4.484 332 HE2 PHE 40 1HE PHE 40 -5.745 -9.018 1.205 333 HZ PHE 40 HZ PHE 40 -4.500 -8.790 3.318 334 H ALA 41 H ALA 41 -8.371 -2.105 2.945 335 HA ALA 41 HA ALA 41 -7.639 -3.049 5.571 336 HB1 ALA 41 1HB ALA 41 -6.837 -0.898 4.424 337 HB2 ALA 41 2HB ALA 41 -7.266 -0.814 6.132 338 HB3 ALA 41 3HB ALA 41 -8.391 -0.222 4.911 339 H LYS 42 H LYS 42 -10.430 -1.360 4.148 340 HA LYS 42 HA LYS 42 -11.961 -1.154 6.476 341 HB2 LYS 42 2HB LYS 42 -12.334 -0.727 3.659 342 HB3 LYS 42 1HB LYS 42 -13.742 -1.553 4.313 343 HG2 LYS 42 2HG LYS 42 -13.900 0.205 6.055 344 HG3 LYS 42 1HG LYS 42 -12.576 1.056 5.257 345 HD2 LYS 42 2HD LYS 42 -14.543 2.066 4.447 346 HD3 LYS 42 1HD LYS 42 -14.007 0.989 3.154 347 HE2 LYS 42 2HE LYS 42 -16.315 0.618 3.320 348 HE3 LYS 42 1HE LYS 42 -15.582 -0.739 4.171 349 HZ1 LYS 42 3HZ LYS 42 -17.001 1.591 5.287 350 HZ2 LYS 42 1HZ LYS 42 -15.897 0.730 6.235 351 HZ3 LYS 42 2HZ LYS 42 -17.251 -0.053 5.592 352 H SER 43 H SER 43 -11.799 -3.737 4.055 353 HA SER 43 HA SER 43 -13.839 -5.332 5.210 354 HB2 SER 43 2HB SER 43 -12.933 -5.491 2.836 355 HB3 SER 43 1HB SER 43 -11.553 -6.350 3.519 356 HG SER 43 HG SER 43 -12.768 -8.049 3.388 357 H ARG 44 H ARG 44 -10.409 -5.012 5.766 358 HA ARG 44 HA ARG 44 -10.241 -7.391 7.394 359 HB2 ARG 44 2HB ARG 44 -8.361 -6.402 5.976 360 HB3 ARG 44 1HB ARG 44 -8.192 -5.188 7.236 361 HG2 ARG 44 2HG ARG 44 -7.204 -6.617 8.666 362 HG3 ARG 44 1HG ARG 44 -8.202 -7.982 8.161 363 HD2 ARG 44 2HD ARG 44 -6.703 -7.523 5.927 364 HD3 ARG 44 1HD ARG 44 -5.568 -7.112 7.213 365 HE ARG 44 HE ARG 44 -6.547 -9.724 6.534 366 HH11 ARG 44 1HH1 ARG 44 -5.223 -7.751 9.089 367 HH12 ARG 44 2HH1 ARG 44 -4.600 -9.100 9.979 368 HH21 ARG 44 1HH2 ARG 44 -5.729 -11.499 7.702 369 HH22 ARG 44 2HH2 ARG 44 -4.886 -11.228 9.191 370 H GLU 45 H GLU 45 -11.418 -4.303 7.902 371 HA GLU 45 HA GLU 45 -12.069 -3.157 9.753 372 HB2 GLU 45 2HB GLU 45 -11.452 -5.754 11.178 373 HB3 GLU 45 1HB GLU 45 -12.363 -4.410 11.854 374 HG2 GLU 45 2HG GLU 45 -13.759 -4.865 9.588 375 HG3 GLU 45 1HG GLU 45 -13.184 -6.491 9.952 376 H THR 46 H THR 46 -9.822 -2.212 9.094 377 HA THR 46 HA THR 46 -8.453 -1.627 11.545 378 HB THR 46 HB THR 46 -7.251 -3.659 11.055 379 HG1 THR 46 1HG THR 46 -5.602 -1.518 10.164 380 HG21 THR 46 3HG2 THR 46 -5.836 -3.311 8.740 381 HG22 THR 46 1HG2 THR 46 -7.418 -2.663 8.304 382 HG23 THR 46 2HG2 THR 46 -7.277 -4.315 8.905 383 H PHE 47 H PHE 47 -7.350 0.297 11.451 384 HA PHE 47 HA PHE 47 -7.477 1.710 8.872 385 HB2 PHE 47 2HB PHE 47 -7.527 3.793 10.197 386 HB3 PHE 47 1HB PHE 47 -8.878 2.733 10.580 387 HD1 PHE 47 1HD PHE 47 -8.787 1.369 12.685 388 HD2 PHE 47 2HD PHE 47 -6.012 4.485 11.847 389 HE1 PHE 47 1HE PHE 47 -8.193 1.475 15.070 390 HE2 PHE 47 2HE PHE 47 -5.412 4.595 14.232 391 HZ PHE 47 HZ PHE 47 -6.502 3.089 15.846 392 H ILE 48 H ILE 48 -5.406 0.719 11.474 393 HA ILE 48 HA ILE 48 -3.211 2.430 10.769 394 HB ILE 48 HB ILE 48 -3.108 -0.088 12.427 395 HG12 ILE 48 2HG1 ILE 48 -3.173 2.487 13.834 396 HG13 ILE 48 1HG1 ILE 48 -4.669 2.109 12.987 397 HG21 ILE 48 1HG2 ILE 48 -1.038 1.340 11.486 398 HG22 ILE 48 2HG2 ILE 48 -1.012 0.494 13.033 399 HG23 ILE 48 3HG2 ILE 48 -1.359 2.222 12.979 400 HD11 ILE 48 3HD1 ILE 48 -4.552 1.375 15.378 401 HD12 ILE 48 1HD1 ILE 48 -3.333 0.202 14.881 402 HD13 ILE 48 2HD1 ILE 48 -4.965 0.113 14.217 403 H ILE 49 H ILE 49 -2.799 2.063 8.581 404 HA ILE 49 HA ILE 49 -2.371 -0.539 7.502 405 HB ILE 49 HB ILE 49 -1.385 2.077 6.364 406 HG12 ILE 49 2HG1 ILE 49 -4.061 0.712 5.990 407 HG13 ILE 49 1HG1 ILE 49 -3.785 2.220 6.856 408 HG21 ILE 49 1HG2 ILE 49 -0.791 -0.403 5.523 409 HG22 ILE 49 2HG2 ILE 49 -0.947 0.979 4.440 410 HG23 ILE 49 3HG2 ILE 49 -2.297 -0.138 4.642 411 HD11 ILE 49 3HD1 ILE 49 -2.929 3.181 4.708 412 HD12 ILE 49 1HD1 ILE 49 -4.644 2.773 4.724 413 HD13 ILE 49 2HD1 ILE 49 -3.494 1.711 3.912 414 H ASP 50 H ASP 50 -0.830 -1.607 8.725 415 HA ASP 50 HA ASP 50 1.838 -0.411 8.909 416 HB2 ASP 50 2HB ASP 50 0.734 -2.913 10.205 417 HB3 ASP 50 1HB ASP 50 2.331 -2.231 10.490 418 H ASP 51 H ASP 51 3.541 -2.435 8.910 419 HA ASP 51 HA ASP 51 3.883 -3.080 6.208 420 HB2 ASP 51 2HB ASP 51 5.510 -3.123 8.350 421 HB3 ASP 51 1HB ASP 51 5.164 -4.845 8.222 422 H GLU 52 H GLU 52 2.389 -4.849 8.846 423 HA GLU 52 HA GLU 52 2.220 -7.372 7.647 424 HB2 GLU 52 2HB GLU 52 0.903 -5.976 9.881 425 HB3 GLU 52 1HB GLU 52 -0.050 -7.266 9.161 426 HG2 GLU 52 2HG GLU 52 1.083 -8.392 10.800 427 HG3 GLU 52 1HG GLU 52 2.136 -8.653 9.411 428 H ILE 53 H ILE 53 0.145 -4.538 7.387 429 HA ILE 53 HA ILE 53 -1.883 -5.868 5.862 430 HB ILE 53 HB ILE 53 -1.389 -2.896 6.021 431 HG12 ILE 53 2HG1 ILE 53 -1.528 -3.893 8.281 432 HG13 ILE 53 1HG1 ILE 53 -2.908 -2.858 7.928 433 HG21 ILE 53 1HG2 ILE 53 -3.529 -4.617 4.957 434 HG22 ILE 53 2HG2 ILE 53 -3.023 -2.998 4.472 435 HG23 ILE 53 3HG2 ILE 53 -4.059 -3.213 5.883 436 HD11 ILE 53 3HD1 ILE 53 -3.732 -5.367 7.117 437 HD12 ILE 53 1HD1 ILE 53 -4.178 -4.539 8.608 438 HD13 ILE 53 2HD1 ILE 53 -2.821 -5.665 8.598 439 H ALA 54 H ALA 54 0.770 -3.635 5.081 440 HA ALA 54 HA ALA 54 0.261 -3.484 2.315 441 HB1 ALA 54 1HB ALA 54 2.907 -3.017 2.420 442 HB2 ALA 54 2HB ALA 54 2.485 -2.768 4.114 443 HB3 ALA 54 3HB ALA 54 1.688 -1.821 2.857 444 H ASN 55 H ASN 55 1.979 -5.813 4.270 445 HA ASN 55 HA ASN 55 3.390 -7.096 2.177 446 HB2 ASN 55 2HB ASN 55 3.701 -7.271 4.756 447 HB3 ASN 55 1HB ASN 55 2.479 -8.535 4.651 448 HD21 ASN 55 1HD2 ASN 55 5.746 -7.700 4.160 449 HD22 ASN 55 2HD2 ASN 55 6.287 -9.228 3.561 450 H GLU 56 H GLU 56 0.529 -8.243 3.980 451 HA GLU 56 HA GLU 56 -0.083 -10.342 2.230 452 HB2 GLU 56 2HB GLU 56 -1.274 -9.092 4.542 453 HB3 GLU 56 1HB GLU 56 -2.512 -9.474 3.355 454 HG2 GLU 56 2HG GLU 56 -2.518 -11.526 4.183 455 HG3 GLU 56 1HG GLU 56 -0.940 -11.746 3.428 456 H PHE 57 H PHE 57 -0.874 -6.943 2.132 457 HA PHE 57 HA PHE 57 -2.991 -6.999 0.304 458 HB2 PHE 57 2HB PHE 57 -2.310 -4.996 1.592 459 HB3 PHE 57 1HB PHE 57 -0.862 -4.869 0.599 460 HD1 PHE 57 1HD PHE 57 -4.534 -5.276 0.035 461 HD2 PHE 57 2HD PHE 57 -0.939 -3.254 -1.016 462 HE1 PHE 57 1HE PHE 57 -5.778 -3.917 -1.594 463 HE2 PHE 57 2HE PHE 57 -2.177 -1.891 -2.647 464 HZ PHE 57 HZ PHE 57 -4.601 -2.221 -2.938 465 H LEU 58 H LEU 58 0.403 -6.166 -0.430 466 HA LEU 58 HA LEU 58 0.120 -6.354 -3.214 467 HB2 LEU 58 2HB LEU 58 2.652 -6.808 -1.638 468 HB3 LEU 58 1HB LEU 58 2.530 -6.308 -3.313 469 HG LEU 58 HG LEU 58 1.584 -4.653 -0.973 470 HD11 LEU 58 1HD1 LEU 58 4.169 -5.176 -1.488 471 HD12 LEU 58 2HD1 LEU 58 3.592 -3.637 -0.848 472 HD13 LEU 58 3HD1 LEU 58 3.910 -3.811 -2.575 473 HD21 LEU 58 3HD2 LEU 58 0.900 -3.086 -2.446 474 HD22 LEU 58 1HD2 LEU 58 0.734 -4.476 -3.518 475 HD23 LEU 58 2HD2 LEU 58 2.174 -3.461 -3.605 476 H LYS 59 H LYS 59 0.801 -8.761 -0.774 477 HA LYS 59 HA LYS 59 1.687 -10.794 -2.563 478 HB2 LYS 59 2HB LYS 59 0.757 -10.758 0.290 479 HB3 LYS 59 1HB LYS 59 1.010 -12.287 -0.539 480 HG2 LYS 59 2HG LYS 59 3.099 -10.139 -0.247 481 HG3 LYS 59 1HG LYS 59 2.949 -11.550 0.802 482 HD2 LYS 59 2HD LYS 59 3.181 -12.979 -1.247 483 HD3 LYS 59 1HD LYS 59 3.560 -11.512 -2.150 484 HE2 LYS 59 2HE LYS 59 5.679 -12.126 -1.623 485 HE3 LYS 59 1HE LYS 59 5.303 -11.224 -0.154 486 HZ1 LYS 59 3HZ LYS 59 4.921 -14.154 -0.419 487 HZ2 LYS 59 1HZ LYS 59 4.836 -13.230 0.997 488 HZ3 LYS 59 2HZ LYS 59 6.321 -13.450 0.217 489 H SER 60 H SER 60 -1.430 -9.774 -1.342 490 HA SER 60 HA SER 60 -2.873 -12.071 -2.212 491 HB2 SER 60 2HB SER 60 -3.567 -9.376 -1.156 492 HB3 SER 60 1HB SER 60 -4.814 -10.240 -2.056 493 HG SER 60 HG SER 60 -4.241 -10.569 0.439 494 H ILE 61 H ILE 61 -2.550 -8.775 -3.524 495 HA ILE 61 HA ILE 61 -4.069 -9.248 -5.853 496 HB ILE 61 HB ILE 61 -2.945 -7.213 -6.754 497 HG12 ILE 61 2HG1 ILE 61 -1.542 -7.134 -4.077 498 HG13 ILE 61 1HG1 ILE 61 -0.763 -7.651 -5.570 499 HG21 ILE 61 1HG2 ILE 61 -4.243 -5.817 -5.505 500 HG22 ILE 61 2HG2 ILE 61 -3.729 -6.526 -3.974 501 HG23 ILE 61 3HG2 ILE 61 -4.905 -7.367 -4.985 502 HD11 ILE 61 3HD1 ILE 61 -1.433 -5.378 -6.501 503 HD12 ILE 61 1HD1 ILE 61 -0.139 -5.423 -5.303 504 HD13 ILE 61 2HD1 ILE 61 -1.764 -4.929 -4.829 505 H GLY 62 H GLY 62 -0.711 -9.801 -5.060 506 HA2 GLY 62 2HA GLY 62 0.702 -11.308 -6.172 507 HA3 GLY 62 1HA GLY 62 -0.398 -11.294 -7.542 508 H ALA 63 H ALA 63 1.032 -8.493 -5.933 509 HA ALA 63 HA ALA 63 2.566 -7.955 -8.393 510 HB1 ALA 63 1HB ALA 63 1.244 -5.850 -6.688 511 HB2 ALA 63 2HB ALA 63 0.536 -6.517 -8.160 512 HB3 ALA 63 3HB ALA 63 2.055 -5.624 -8.238 513 H GLU 64 H GLU 64 4.642 -7.298 -8.151 514 HA GLU 64 HA GLU 64 5.715 -6.102 -5.839 515 HB2 GLU 64 2HB GLU 64 5.241 -8.637 -5.232 516 HB3 GLU 64 1HB GLU 64 6.761 -8.886 -6.079 517 HG2 GLU 64 2HG GLU 64 7.367 -6.805 -4.417 518 HG3 GLU 64 1HG GLU 64 6.240 -7.749 -3.443 519 H VAL 65 H VAL 65 6.765 -4.768 -7.264 520 HA VAL 65 HA VAL 65 9.059 -5.957 -8.645 521 HB VAL 65 HB VAL 65 7.326 -5.688 -10.356 522 HG11 VAL 65 1HG1 VAL 65 7.038 -3.028 -10.845 523 HG12 VAL 65 2HG1 VAL 65 7.042 -3.062 -9.082 524 HG13 VAL 65 3HG1 VAL 65 5.869 -4.025 -9.980 525 HG21 VAL 65 3HG2 VAL 65 8.729 -4.838 -11.954 526 HG22 VAL 65 1HG2 VAL 65 9.877 -5.099 -10.641 527 HG23 VAL 65 2HG2 VAL 65 9.237 -3.484 -10.946 528 H GLU 66 H GLU 66 10.854 -4.618 -8.824 529 HA GLU 66 HA GLU 66 10.657 -2.011 -7.469 530 HB2 GLU 66 2HB GLU 66 12.308 -4.329 -6.817 531 HB3 GLU 66 1HB GLU 66 13.255 -2.861 -7.019 532 HG2 GLU 66 2HG GLU 66 12.481 -1.950 -5.128 533 HG3 GLU 66 1HG GLU 66 10.839 -2.532 -5.399 534 H LEU 67 H LEU 67 11.547 -0.331 -8.504 535 HA LEU 67 HA LEU 67 12.791 -0.831 -11.089 536 HB2 LEU 67 2HB LEU 67 12.480 1.543 -11.492 537 HB3 LEU 67 1HB LEU 67 10.984 0.807 -10.951 538 HG LEU 67 HG LEU 67 11.897 1.674 -8.584 539 HD11 LEU 67 1HD1 LEU 67 12.674 4.030 -10.171 540 HD12 LEU 67 2HD1 LEU 67 13.830 2.699 -10.149 541 HD13 LEU 67 3HD1 LEU 67 13.302 3.434 -8.636 542 HD21 LEU 67 3HD2 LEU 67 10.285 3.064 -10.691 543 HD22 LEU 67 1HD2 LEU 67 10.562 3.811 -9.118 544 HD23 LEU 67 2HD2 LEU 67 9.737 2.254 -9.223 545 HA PRO 68 HA PRO 68 17.009 -0.058 -10.135 546 HB2 PRO 68 2HB PRO 68 16.921 2.225 -12.052 547 HB3 PRO 68 1HB PRO 68 18.038 0.858 -11.980 548 HG2 PRO 68 2HG PRO 68 16.110 0.936 -13.812 549 HG3 PRO 68 1HG PRO 68 16.544 -0.588 -13.012 550 HD2 PRO 68 2HD PRO 68 14.181 1.182 -12.573 551 HD3 PRO 68 1HD PRO 68 14.299 -0.588 -12.496 552 H GLN 69 H GLN 69 17.707 0.877 -8.329 553 HA GLN 69 HA GLN 69 16.524 3.250 -7.277 554 HB2 GLN 69 2HB GLN 69 17.523 1.265 -5.985 555 HB3 GLN 69 1HB GLN 69 19.085 2.014 -6.291 556 HG2 GLN 69 2HG GLN 69 18.739 3.665 -4.803 557 HG3 GLN 69 1HG GLN 69 17.016 3.776 -5.160 558 HE21 GLN 69 1HE2 GLN 69 15.619 2.144 -4.248 559 HE22 GLN 69 2HE2 GLN 69 16.036 1.409 -2.742 560 H GLU 70 H GLU 70 19.830 2.494 -8.383 561 HA GLU 70 HA GLU 70 20.510 5.316 -8.405 562 HB2 GLU 70 2HB GLU 70 22.106 2.848 -9.105 563 HB3 GLU 70 1HB GLU 70 22.748 4.483 -9.160 564 HG2 GLU 70 2HG GLU 70 21.659 4.294 -6.629 565 HG3 GLU 70 1HG GLU 70 22.374 2.705 -6.904 566 H ILE 71 H ILE 71 21.085 6.500 -10.234 567 HA ILE 71 HA ILE 71 20.975 7.201 -12.397 568 HB ILE 71 HB ILE 71 20.935 4.287 -13.178 569 HG12 ILE 71 2HG1 ILE 71 23.348 6.062 -12.746 570 HG13 ILE 71 1HG1 ILE 71 22.807 4.823 -11.616 571 HG21 ILE 71 1HG2 ILE 71 20.417 5.720 -15.017 572 HG22 ILE 71 2HG2 ILE 71 22.083 5.174 -15.211 573 HG23 ILE 71 3HG2 ILE 71 21.751 6.803 -14.621 574 HD11 ILE 71 3HD1 ILE 71 22.998 3.446 -13.977 575 HD12 ILE 71 1HD1 ILE 71 24.207 3.477 -12.694 576 HD13 ILE 71 2HD1 ILE 71 24.348 4.577 -14.065 577 H LYS 72 H LYS 72 19.352 7.877 -13.698 578 HA LYS 72 HA LYS 72 16.870 6.300 -13.744 579 HB2 LYS 72 2HB LYS 72 16.946 9.307 -13.496 580 HB3 LYS 72 1HB LYS 72 15.532 8.264 -13.410 581 HG2 LYS 72 2HG LYS 72 17.667 7.752 -11.435 582 HG3 LYS 72 1HG LYS 72 16.761 9.256 -11.256 583 HD2 LYS 72 2HD LYS 72 14.680 7.719 -11.556 584 HD3 LYS 72 1HD LYS 72 15.796 6.428 -11.105 585 HE2 LYS 72 2HE LYS 72 15.745 8.871 -9.419 586 HE3 LYS 72 1HE LYS 72 14.377 7.766 -9.305 587 HZ1 LYS 72 3HZ LYS 72 15.693 6.778 -7.792 588 HZ2 LYS 72 1HZ LYS 72 17.124 7.409 -8.437 589 HZ3 LYS 72 2HZ LYS 72 16.401 6.054 -9.145 Start of MODEL 14 1 H MET 1 H MET 1 1.673 16.091 -6.045 2 HA MET 1 HA MET 1 2.889 14.599 -4.849 3 HB2 MET 1 2HB MET 1 3.191 17.409 -4.448 4 HB3 MET 1 1HB MET 1 3.672 16.595 -2.966 5 HG2 MET 1 2HG MET 1 5.625 16.798 -4.241 6 HG3 MET 1 1HG MET 1 5.127 15.116 -4.405 7 HE1 MET 1 2HE MET 1 6.135 18.132 -7.328 8 HE2 MET 1 3HE MET 1 5.646 18.422 -5.658 9 HE3 MET 1 1HE MET 1 4.474 18.600 -6.964 10 H ASP 2 H ASP 2 3.124 13.243 -3.131 11 HA ASP 2 HA ASP 2 2.601 12.122 -1.224 12 HB2 ASP 2 2HB ASP 2 1.828 14.852 -0.175 13 HB3 ASP 2 1HB ASP 2 2.182 13.425 0.795 14 H GLU 3 H GLU 3 0.607 12.385 -3.275 15 HA GLU 3 HA GLU 3 -1.946 12.928 -2.194 16 HB2 GLU 3 2HB GLU 3 -0.867 11.729 -4.657 17 HB3 GLU 3 1HB GLU 3 -2.459 11.145 -4.197 18 HG2 GLU 3 2HG GLU 3 -3.251 12.917 -5.273 19 HG3 GLU 3 1HG GLU 3 -2.702 13.856 -3.885 20 H PHE 4 H PHE 4 0.119 10.129 -2.114 21 HA PHE 4 HA PHE 4 -1.827 8.190 -1.466 22 HB2 PHE 4 2HB PHE 4 0.570 7.787 -2.221 23 HB3 PHE 4 1HB PHE 4 1.053 8.139 -0.565 24 HD1 PHE 4 1HD PHE 4 -1.839 6.212 -1.900 25 HD2 PHE 4 2HD PHE 4 1.766 6.153 0.361 26 HE1 PHE 4 1HE PHE 4 -2.270 3.869 -1.281 27 HE2 PHE 4 2HE PHE 4 1.342 3.810 0.984 28 HZ PHE 4 HZ PHE 4 -0.678 2.665 0.162 29 H VAL 5 H VAL 5 0.565 9.729 0.692 30 HA VAL 5 HA VAL 5 -0.574 8.831 3.082 31 HB VAL 5 HB VAL 5 0.696 10.656 4.182 32 HG11 VAL 5 1HG1 VAL 5 2.634 9.631 2.212 33 HG12 VAL 5 2HG1 VAL 5 1.650 8.418 3.031 34 HG13 VAL 5 3HG1 VAL 5 2.641 9.532 3.973 35 HG21 VAL 5 3HG2 VAL 5 0.967 11.572 1.354 36 HG22 VAL 5 1HG2 VAL 5 2.266 11.898 2.502 37 HG23 VAL 5 2HG2 VAL 5 0.641 12.507 2.813 38 H LYS 6 H LYS 6 -1.143 11.782 1.223 39 HA LYS 6 HA LYS 6 -2.869 12.976 3.150 40 HB2 LYS 6 2HB LYS 6 -2.349 13.503 0.230 41 HB3 LYS 6 1HB LYS 6 -3.546 14.414 1.140 42 HG2 LYS 6 2HG LYS 6 -0.885 14.248 2.377 43 HG3 LYS 6 1HG LYS 6 -0.969 15.148 0.862 44 HD2 LYS 6 2HD LYS 6 -3.119 15.735 2.780 45 HD3 LYS 6 1HD LYS 6 -1.499 16.198 3.309 46 HE2 LYS 6 2HE LYS 6 -1.482 17.096 0.754 47 HE3 LYS 6 1HE LYS 6 -3.184 17.302 1.163 48 HZ1 LYS 6 3HZ LYS 6 -1.273 18.228 3.147 49 HZ2 LYS 6 1HZ LYS 6 -2.726 18.927 2.631 50 HZ3 LYS 6 2HZ LYS 6 -1.322 19.112 1.706 51 H GLY 7 H GLY 7 -3.386 11.028 0.242 52 HA2 GLY 7 2HA GLY 7 -6.189 11.251 0.139 53 HA3 GLY 7 1HA GLY 7 -5.245 9.938 -0.548 54 H LEU 8 H LEU 8 -4.096 9.145 2.010 55 HA LEU 8 HA LEU 8 -6.156 7.358 2.837 56 HB2 LEU 8 2HB LEU 8 -3.373 7.927 3.813 57 HB3 LEU 8 1HB LEU 8 -4.425 6.814 4.668 58 HG LEU 8 HG LEU 8 -3.700 6.498 1.758 59 HD11 LEU 8 1HD1 LEU 8 -1.905 5.181 2.292 60 HD12 LEU 8 2HD1 LEU 8 -2.519 4.804 3.902 61 HD13 LEU 8 3HD1 LEU 8 -1.811 6.387 3.576 62 HD21 LEU 8 3HD2 LEU 8 -4.478 4.211 3.443 63 HD22 LEU 8 1HD2 LEU 8 -4.905 4.593 1.775 64 HD23 LEU 8 2HD2 LEU 8 -5.753 5.382 3.105 65 H MET 9 H MET 9 -4.581 10.157 4.346 66 HA MET 9 HA MET 9 -5.916 10.057 6.803 67 HB2 MET 9 2HB MET 9 -5.022 12.575 5.401 68 HB3 MET 9 1HB MET 9 -5.198 12.320 7.132 69 HG2 MET 9 2HG MET 9 -3.371 10.425 5.907 70 HG3 MET 9 1HG MET 9 -2.876 12.100 5.669 71 HE1 MET 9 3HE MET 9 -1.233 9.730 8.242 72 HE2 MET 9 1HE MET 9 -0.455 11.312 8.165 73 HE3 MET 9 2HE MET 9 -1.044 10.547 6.689 74 H LYS 10 H LYS 10 -6.947 11.174 3.680 75 HA LYS 10 HA LYS 10 -9.024 12.891 4.385 76 HB2 LYS 10 2HB LYS 10 -8.540 11.105 2.023 77 HB3 LYS 10 1HB LYS 10 -10.051 11.995 2.166 78 HG2 LYS 10 2HG LYS 10 -8.133 13.912 2.660 79 HG3 LYS 10 1HG LYS 10 -7.411 12.917 1.394 80 HD2 LYS 10 2HD LYS 10 -8.616 14.567 0.241 81 HD3 LYS 10 1HD LYS 10 -9.650 13.136 0.184 82 HE2 LYS 10 2HE LYS 10 -10.095 14.844 2.519 83 HE3 LYS 10 1HE LYS 10 -10.439 15.631 0.980 84 HZ1 LYS 10 3HZ LYS 10 -11.660 13.175 2.087 85 HZ2 LYS 10 1HZ LYS 10 -11.787 13.577 0.449 86 HZ3 LYS 10 2HZ LYS 10 -12.426 14.609 1.627 87 H ASN 11 H ASN 11 -8.867 9.396 4.370 88 HA ASN 11 HA ASN 11 -11.680 9.291 5.241 89 HB2 ASN 11 2HB ASN 11 -9.969 7.117 4.015 90 HB3 ASN 11 1HB ASN 11 -11.632 6.912 4.554 91 HD21 ASN 11 1HD2 ASN 11 -9.729 7.469 1.940 92 HD22 ASN 11 2HD2 ASN 11 -10.891 8.186 0.882 93 H GLY 12 H GLY 12 -9.314 9.909 6.906 94 HA2 GLY 12 2HA GLY 12 -8.490 9.380 8.981 95 HA3 GLY 12 1HA GLY 12 -9.986 8.485 9.204 96 H TYR 13 H TYR 13 -6.976 8.112 7.322 97 HA TYR 13 HA TYR 13 -6.736 5.400 8.434 98 HB2 TYR 13 2HB TYR 13 -6.721 6.253 5.571 99 HB3 TYR 13 1HB TYR 13 -5.679 4.919 6.057 100 HD1 TYR 13 2HD TYR 13 -6.680 2.847 6.981 101 HD2 TYR 13 1HD TYR 13 -9.085 5.983 5.406 102 HE1 TYR 13 2HE TYR 13 -8.585 1.298 6.824 103 HE2 TYR 13 1HE TYR 13 -10.997 4.443 5.246 104 HH TYR 13 HH TYR 13 -10.711 1.127 5.454 105 H LEU 14 H LEU 14 -4.815 4.998 9.311 106 HA LEU 14 HA LEU 14 -2.657 6.927 8.879 107 HB2 LEU 14 2HB LEU 14 -2.729 4.721 10.926 108 HB3 LEU 14 1HB LEU 14 -1.706 6.142 10.916 109 HG LEU 14 HG LEU 14 -4.686 6.095 11.392 110 HD11 LEU 14 1HD1 LEU 14 -3.803 5.406 13.391 111 HD12 LEU 14 2HD1 LEU 14 -3.752 7.157 13.598 112 HD13 LEU 14 3HD1 LEU 14 -2.289 6.279 13.150 113 HD21 LEU 14 3HD2 LEU 14 -2.792 8.281 10.784 114 HD22 LEU 14 1HD2 LEU 14 -3.943 8.568 12.090 115 HD23 LEU 14 2HD2 LEU 14 -4.525 8.159 10.477 116 H ILE 15 H ILE 15 -0.618 6.349 8.194 117 HA ILE 15 HA ILE 15 -0.189 3.552 7.417 118 HB ILE 15 HB ILE 15 -0.967 4.743 5.415 119 HG12 ILE 15 2HG1 ILE 15 1.995 4.212 5.169 120 HG13 ILE 15 1HG1 ILE 15 0.809 2.923 5.351 121 HG21 ILE 15 1HG2 ILE 15 1.511 6.416 5.454 122 HG22 ILE 15 2HG2 ILE 15 0.049 6.961 6.277 123 HG23 ILE 15 3HG2 ILE 15 0.020 6.647 4.542 124 HD11 ILE 15 3HD1 ILE 15 0.186 3.050 3.216 125 HD12 ILE 15 1HD1 ILE 15 1.688 3.944 2.986 126 HD13 ILE 15 2HD1 ILE 15 0.172 4.813 3.223 127 H THR 16 H THR 16 1.596 2.886 8.395 128 HA THR 16 HA THR 16 3.489 4.586 9.595 129 HB THR 16 HB THR 16 4.864 2.551 9.902 130 HG1 THR 16 1HG THR 16 3.934 0.558 9.106 131 HG21 THR 16 3HG2 THR 16 2.514 3.153 11.102 132 HG22 THR 16 1HG2 THR 16 3.544 1.802 11.575 133 HG23 THR 16 2HG2 THR 16 2.167 1.528 10.506 134 HA PRO 17 HA PRO 17 6.228 5.636 6.300 135 HB2 PRO 17 2HB PRO 17 8.606 5.762 7.618 136 HB3 PRO 17 1HB PRO 17 7.351 6.996 7.769 137 HG2 PRO 17 2HG PRO 17 7.994 4.715 9.598 138 HG3 PRO 17 1HG PRO 17 7.600 6.396 10.003 139 HD2 PRO 17 2HD PRO 17 5.784 4.405 10.184 140 HD3 PRO 17 1HD PRO 17 5.331 6.063 9.732 141 H SER 18 H SER 18 6.972 2.858 8.307 142 HA SER 18 HA SER 18 9.077 1.781 6.792 143 HB2 SER 18 2HB SER 18 8.259 1.084 9.126 144 HB3 SER 18 1HB SER 18 7.058 0.108 8.281 145 HG SER 18 HG SER 18 9.379 -0.705 8.871 146 H ALA 19 H ALA 19 5.598 1.624 6.418 147 HA ALA 19 HA ALA 19 5.804 -0.325 4.263 148 HB1 ALA 19 1HB ALA 19 3.497 0.962 5.685 149 HB2 ALA 19 2HB ALA 19 3.952 -0.741 5.629 150 HB3 ALA 19 3HB ALA 19 3.269 0.036 4.201 151 H TYR 20 H TYR 20 5.322 3.097 4.738 152 HA TYR 20 HA TYR 20 4.262 3.788 2.245 153 HB2 TYR 20 2HB TYR 20 4.354 5.352 4.128 154 HB3 TYR 20 1HB TYR 20 6.111 5.386 4.029 155 HD1 TYR 20 2HD TYR 20 3.214 5.875 1.708 156 HD2 TYR 20 1HD TYR 20 7.010 7.256 3.040 157 HE1 TYR 20 2HE TYR 20 3.083 7.749 0.122 158 HE2 TYR 20 1HE TYR 20 6.888 9.134 1.458 159 HH TYR 20 HH TYR 20 4.910 9.267 -1.090 160 H TYR 21 H TYR 21 7.559 3.144 3.258 161 HA TYR 21 HA TYR 21 8.880 4.172 0.995 162 HB2 TYR 21 2HB TYR 21 9.559 2.323 3.210 163 HB3 TYR 21 1HB TYR 21 10.549 2.194 1.760 164 HD1 TYR 21 1HD TYR 21 11.642 4.344 0.883 165 HD2 TYR 21 2HD TYR 21 9.976 4.001 4.783 166 HE1 TYR 21 1HE TYR 21 12.969 6.281 1.615 167 HE2 TYR 21 2HE TYR 21 11.300 5.936 5.525 168 HH TYR 21 HH TYR 21 13.331 7.130 4.892 169 H LEU 22 H LEU 22 7.167 1.194 1.550 170 HA LEU 22 HA LEU 22 8.141 0.071 -0.973 171 HB2 LEU 22 2HB LEU 22 6.299 -1.192 1.055 172 HB3 LEU 22 1HB LEU 22 7.098 -1.994 -0.284 173 HG LEU 22 HG LEU 22 8.857 -0.654 1.690 174 HD11 LEU 22 1HD1 LEU 22 8.638 -3.026 2.906 175 HD12 LEU 22 2HD1 LEU 22 6.968 -2.819 2.378 176 HD13 LEU 22 3HD1 LEU 22 7.726 -1.600 3.404 177 HD21 LEU 22 3HD2 LEU 22 10.394 -2.137 0.946 178 HD22 LEU 22 1HD2 LEU 22 9.314 -2.202 -0.447 179 HD23 LEU 22 2HD2 LEU 22 9.223 -3.446 0.799 180 H LEU 23 H LEU 23 5.290 1.429 0.511 181 HA LEU 23 HA LEU 23 3.536 0.630 -1.638 182 HB2 LEU 23 2HB LEU 23 3.128 2.510 0.687 183 HB3 LEU 23 1HB LEU 23 1.876 2.064 -0.458 184 HG LEU 23 HG LEU 23 3.286 0.212 1.464 185 HD11 LEU 23 1HD1 LEU 23 1.318 0.154 2.695 186 HD12 LEU 23 2HD1 LEU 23 0.356 0.813 1.373 187 HD13 LEU 23 3HD1 LEU 23 1.467 1.856 2.258 188 HD21 LEU 23 3HD2 LEU 23 1.204 -0.355 -0.640 189 HD22 LEU 23 1HD2 LEU 23 1.670 -1.478 0.639 190 HD23 LEU 23 2HD2 LEU 23 2.851 -0.983 -0.574 191 H VAL 24 H VAL 24 5.427 3.426 -0.751 192 HA VAL 24 HA VAL 24 4.209 5.370 -2.345 193 HB VAL 24 HB VAL 24 5.920 5.903 -0.669 194 HG11 VAL 24 1HG1 VAL 24 8.183 5.384 -0.877 195 HG12 VAL 24 2HG1 VAL 24 8.031 4.988 -2.589 196 HG13 VAL 24 3HG1 VAL 24 7.367 3.900 -1.369 197 HG21 VAL 24 3HG2 VAL 24 5.521 7.626 -2.227 198 HG22 VAL 24 1HG2 VAL 24 6.429 6.798 -3.492 199 HG23 VAL 24 2HG2 VAL 24 7.276 7.491 -2.109 200 H GLY 25 H GLY 25 6.813 3.078 -3.123 201 HA2 GLY 25 2HA GLY 25 7.156 4.025 -5.794 202 HA3 GLY 25 1HA GLY 25 7.787 2.525 -5.135 203 H HIS 26 H HIS 26 5.067 1.663 -4.308 204 HA HIS 26 HA HIS 26 4.335 0.445 -6.823 205 HB2 HIS 26 2HB HIS 26 4.317 -0.481 -4.282 206 HB3 HIS 26 1HB HIS 26 2.631 0.000 -4.445 207 HD1 HIS 26 1HD HIS 26 5.110 -1.975 -6.569 208 HD2 HIS 26 2HD HIS 26 1.136 -2.045 -5.356 209 HE1 HIS 26 1HE HIS 26 4.132 -4.054 -7.590 210 HE2 HIS 26 2HE HIS 26 1.704 -4.027 -6.917 211 H PHE 27 H PHE 27 3.292 3.112 -4.920 212 HA PHE 27 HA PHE 27 0.653 3.194 -6.146 213 HB2 PHE 27 2HB PHE 27 0.890 3.780 -3.763 214 HB3 PHE 27 1HB PHE 27 1.965 5.105 -4.200 215 HD1 PHE 27 1HD PHE 27 -1.464 3.831 -4.911 216 HD2 PHE 27 2HD PHE 27 1.081 7.213 -4.462 217 HE1 PHE 27 1HE PHE 27 -3.407 5.322 -5.151 218 HE2 PHE 27 2HE PHE 27 -0.857 8.710 -4.699 219 HZ PHE 27 HZ PHE 27 -3.106 7.764 -5.044 220 H ASN 28 H ASN 28 3.644 5.098 -6.092 221 HA ASN 28 HA ASN 28 2.773 7.139 -7.823 222 HB2 ASN 28 2HB ASN 28 5.043 6.667 -6.355 223 HB3 ASN 28 1HB ASN 28 5.627 6.464 -8.003 224 HD21 ASN 28 1HD2 ASN 28 6.241 8.538 -6.066 225 HD22 ASN 28 2HD2 ASN 28 5.801 10.036 -6.806 226 H GLU 29 H GLU 29 4.481 4.095 -8.448 227 HA GLU 29 HA GLU 29 4.898 4.446 -11.192 228 HB2 GLU 29 2HB GLU 29 5.659 2.568 -9.467 229 HB3 GLU 29 1HB GLU 29 4.281 1.721 -10.157 230 HG2 GLU 29 2HG GLU 29 6.045 2.928 -12.146 231 HG3 GLU 29 1HG GLU 29 6.818 1.695 -11.151 232 H GLY 30 H GLY 30 2.067 3.465 -9.398 233 HA2 GLY 30 2HA GLY 30 -0.129 3.735 -10.266 234 HA3 GLY 30 1HA GLY 30 0.523 3.580 -11.889 235 H LYS 31 H LYS 31 1.225 1.422 -9.198 236 HA LYS 31 HA LYS 31 0.336 -0.830 -10.785 237 HB2 LYS 31 2HB LYS 31 2.054 -0.413 -8.448 238 HB3 LYS 31 1HB LYS 31 1.047 -1.850 -8.325 239 HG2 LYS 31 2HG LYS 31 2.877 -1.218 -10.631 240 HG3 LYS 31 1HG LYS 31 3.258 -2.307 -9.296 241 HD2 LYS 31 2HD LYS 31 0.736 -2.780 -10.791 242 HD3 LYS 31 1HD LYS 31 2.254 -3.183 -11.595 243 HE2 LYS 31 2HE LYS 31 2.540 -5.003 -10.338 244 HE3 LYS 31 1HE LYS 31 2.193 -4.121 -8.851 245 HZ1 LYS 31 3HZ LYS 31 0.642 -6.033 -9.634 246 HZ2 LYS 31 1HZ LYS 31 -0.025 -4.845 -10.636 247 HZ3 LYS 31 2HZ LYS 31 -0.023 -4.632 -8.959 248 H PHE 32 H PHE 32 -0.348 0.335 -7.477 249 HA PHE 32 HA PHE 32 -2.981 -0.971 -7.679 250 HB2 PHE 32 2HB PHE 32 -2.971 -1.309 -5.334 251 HB3 PHE 32 1HB PHE 32 -1.360 -1.764 -5.882 252 HD1 PHE 32 1HD PHE 32 0.493 -0.007 -5.658 253 HD2 PHE 32 2HD PHE 32 -3.243 0.244 -3.637 254 HE1 PHE 32 1HE PHE 32 1.482 1.549 -4.028 255 HE2 PHE 32 2HE PHE 32 -2.261 1.800 -2.005 256 HZ PHE 32 HZ PHE 32 0.105 2.455 -2.199 257 H SER 33 H SER 33 -4.823 0.126 -6.937 258 HA SER 33 HA SER 33 -4.576 3.036 -7.077 259 HB2 SER 33 2HB SER 33 -6.207 1.925 -8.564 260 HB3 SER 33 1HB SER 33 -7.054 1.296 -7.152 261 HG SER 33 HG SER 33 -6.628 4.057 -7.635 262 H LEU 34 H LEU 34 -5.788 4.388 -5.590 263 HA LEU 34 HA LEU 34 -5.278 3.804 -2.908 264 HB2 LEU 34 2HB LEU 34 -6.654 5.917 -4.409 265 HB3 LEU 34 1HB LEU 34 -7.254 5.695 -2.777 266 HG LEU 34 HG LEU 34 -4.376 6.238 -3.508 267 HD11 LEU 34 1HD1 LEU 34 -6.332 8.046 -3.675 268 HD12 LEU 34 2HD1 LEU 34 -4.706 8.442 -3.121 269 HD13 LEU 34 3HD1 LEU 34 -5.992 8.160 -1.948 270 HD21 LEU 34 3HD2 LEU 34 -3.811 5.939 -1.355 271 HD22 LEU 34 1HD2 LEU 34 -5.274 4.956 -1.288 272 HD23 LEU 34 2HD2 LEU 34 -5.316 6.637 -0.757 273 H ILE 35 H ILE 35 -8.320 3.653 -4.735 274 HA ILE 35 HA ILE 35 -10.035 2.964 -2.662 275 HB ILE 35 HB ILE 35 -10.813 3.544 -4.918 276 HG12 ILE 35 2HG1 ILE 35 -12.171 1.063 -4.965 277 HG13 ILE 35 1HG1 ILE 35 -11.797 1.394 -3.276 278 HG21 ILE 35 1HG2 ILE 35 -9.102 2.308 -6.176 279 HG22 ILE 35 2HG2 ILE 35 -10.733 1.942 -6.735 280 HG23 ILE 35 3HG2 ILE 35 -9.873 0.792 -5.712 281 HD11 ILE 35 3HD1 ILE 35 -12.743 3.780 -3.936 282 HD12 ILE 35 1HD1 ILE 35 -13.790 2.455 -3.425 283 HD13 ILE 35 2HD1 ILE 35 -13.599 2.815 -5.140 284 H GLU 36 H GLU 36 -7.770 0.987 -4.459 285 HA GLU 36 HA GLU 36 -8.763 -1.533 -3.621 286 HB2 GLU 36 2HB GLU 36 -6.093 -0.630 -4.686 287 HB3 GLU 36 1HB GLU 36 -6.407 -2.303 -4.247 288 HG2 GLU 36 2HG GLU 36 -8.515 -1.850 -5.843 289 HG3 GLU 36 1HG GLU 36 -7.349 -0.735 -6.555 290 H LEU 37 H LEU 37 -6.463 0.746 -2.266 291 HA LEU 37 HA LEU 37 -5.471 -1.008 -0.248 292 HB2 LEU 37 2HB LEU 37 -4.285 1.021 -1.109 293 HB3 LEU 37 1HB LEU 37 -5.459 2.009 -0.260 294 HG LEU 37 HG LEU 37 -4.713 0.982 1.882 295 HD11 LEU 37 1HD1 LEU 37 -3.847 -1.115 0.983 296 HD12 LEU 37 2HD1 LEU 37 -2.617 -0.267 1.921 297 HD13 LEU 37 3HD1 LEU 37 -2.559 -0.235 0.158 298 HD21 LEU 37 3HD2 LEU 37 -3.701 2.998 1.719 299 HD22 LEU 37 1HD2 LEU 37 -3.032 2.658 0.123 300 HD23 LEU 37 2HD2 LEU 37 -2.256 2.000 1.564 301 H ILE 38 H ILE 38 -7.964 1.504 -0.335 302 HA ILE 38 HA ILE 38 -8.594 1.460 2.412 303 HB ILE 38 HB ILE 38 -10.495 2.111 0.157 304 HG12 ILE 38 2HG1 ILE 38 -8.473 3.409 -0.153 305 HG13 ILE 38 1HG1 ILE 38 -9.736 4.460 0.478 306 HG21 ILE 38 1HG2 ILE 38 -10.483 2.576 3.099 307 HG22 ILE 38 2HG2 ILE 38 -11.805 2.086 2.041 308 HG23 ILE 38 3HG2 ILE 38 -11.253 3.761 2.044 309 HD11 ILE 38 3HD1 ILE 38 -8.145 5.127 1.896 310 HD12 ILE 38 1HD1 ILE 38 -7.175 3.674 1.650 311 HD13 ILE 38 2HD1 ILE 38 -8.539 3.646 2.768 312 H LYS 39 H LYS 39 -9.675 -0.489 -0.300 313 HA LYS 39 HA LYS 39 -11.868 -1.726 0.980 314 HB2 LYS 39 2HB LYS 39 -10.160 -2.452 -1.383 315 HB3 LYS 39 1HB LYS 39 -11.398 -3.553 -0.795 316 HG2 LYS 39 2HG LYS 39 -13.129 -2.115 -1.364 317 HG3 LYS 39 1HG LYS 39 -12.066 -0.708 -1.432 318 HD2 LYS 39 2HD LYS 39 -11.463 -1.114 -3.562 319 HD3 LYS 39 1HD LYS 39 -11.371 -2.858 -3.306 320 HE2 LYS 39 2HE LYS 39 -13.125 -2.472 -4.864 321 HE3 LYS 39 1HE LYS 39 -13.880 -2.894 -3.328 322 HZ1 LYS 39 3HZ LYS 39 -14.533 -0.756 -4.817 323 HZ2 LYS 39 1HZ LYS 39 -13.455 -0.064 -3.711 324 HZ3 LYS 39 2HZ LYS 39 -14.823 -0.887 -3.156 325 H PHE 40 H PHE 40 -8.444 -2.551 0.755 326 HA PHE 40 HA PHE 40 -8.588 -5.106 1.912 327 HB2 PHE 40 2HB PHE 40 -6.610 -3.813 0.734 328 HB3 PHE 40 1HB PHE 40 -6.210 -3.356 2.387 329 HD1 PHE 40 1HD PHE 40 -6.717 -6.242 0.134 330 HD2 PHE 40 2HD PHE 40 -5.146 -4.863 3.840 331 HE1 PHE 40 1HE PHE 40 -5.575 -8.398 0.447 332 HE2 PHE 40 2HE PHE 40 -3.999 -7.016 4.161 333 HZ PHE 40 HZ PHE 40 -4.213 -8.787 2.462 334 H ALA 41 H ALA 41 -7.930 -1.935 3.382 335 HA ALA 41 HA ALA 41 -7.627 -2.859 6.020 336 HB1 ALA 41 1HB ALA 41 -8.716 -0.143 5.391 337 HB2 ALA 41 2HB ALA 41 -7.050 -0.561 4.995 338 HB3 ALA 41 3HB ALA 41 -7.602 -0.630 6.668 339 H LYS 42 H LYS 42 -10.463 -1.603 4.293 340 HA LYS 42 HA LYS 42 -12.258 -1.669 6.443 341 HB2 LYS 42 2HB LYS 42 -12.419 -0.811 3.893 342 HB3 LYS 42 1HB LYS 42 -13.316 -2.317 3.751 343 HG2 LYS 42 2HG LYS 42 -15.067 -1.540 4.928 344 HG3 LYS 42 1HG LYS 42 -14.050 -0.624 6.041 345 HD2 LYS 42 2HD LYS 42 -13.666 0.757 3.738 346 HD3 LYS 42 1HD LYS 42 -15.328 0.205 3.524 347 HE2 LYS 42 2HE LYS 42 -14.734 1.262 6.192 348 HE3 LYS 42 1HE LYS 42 -14.582 2.443 4.892 349 HZ1 LYS 42 3HZ LYS 42 -16.963 0.957 5.775 350 HZ2 LYS 42 1HZ LYS 42 -16.869 1.514 4.179 351 HZ3 LYS 42 2HZ LYS 42 -16.790 2.611 5.465 352 H SER 43 H SER 43 -11.142 -4.177 4.275 353 HA SER 43 HA SER 43 -13.133 -6.096 4.956 354 HB2 SER 43 2HB SER 43 -10.413 -6.340 3.665 355 HB3 SER 43 1HB SER 43 -11.469 -7.726 3.934 356 HG SER 43 HG SER 43 -11.571 -6.516 1.826 357 H ARG 44 H ARG 44 -10.031 -5.190 6.283 358 HA ARG 44 HA ARG 44 -9.996 -7.471 8.091 359 HB2 ARG 44 2HB ARG 44 -8.082 -5.232 7.505 360 HB3 ARG 44 1HB ARG 44 -7.881 -6.239 8.933 361 HG2 ARG 44 2HG ARG 44 -8.224 -8.078 6.915 362 HG3 ARG 44 1HG ARG 44 -7.275 -6.803 6.148 363 HD2 ARG 44 2HD ARG 44 -5.643 -8.176 7.050 364 HD3 ARG 44 1HD ARG 44 -5.822 -6.930 8.283 365 HE ARG 44 HE ARG 44 -7.531 -9.140 8.798 366 HH11 ARG 44 1HH1 ARG 44 -4.206 -8.104 9.013 367 HH12 ARG 44 2HH1 ARG 44 -3.828 -9.168 10.325 368 HH21 ARG 44 1HH2 ARG 44 -7.037 -10.541 10.525 369 HH22 ARG 44 2HH2 ARG 44 -5.436 -10.553 11.183 370 H GLU 45 H GLU 45 -11.414 -4.447 8.053 371 HA GLU 45 HA GLU 45 -12.458 -3.183 9.625 372 HB2 GLU 45 2HB GLU 45 -12.204 -5.834 10.941 373 HB3 GLU 45 1HB GLU 45 -12.607 -4.470 11.973 374 HG2 GLU 45 2HG GLU 45 -14.327 -4.131 9.881 375 HG3 GLU 45 1HG GLU 45 -14.232 -5.887 10.009 376 H THR 46 H THR 46 -10.124 -2.204 9.277 377 HA THR 46 HA THR 46 -9.319 -1.210 11.832 378 HB THR 46 HB THR 46 -8.017 -3.205 12.006 379 HG1 THR 46 1HG THR 46 -5.898 -2.286 11.974 380 HG21 THR 46 3HG2 THR 46 -6.189 -3.299 9.974 381 HG22 THR 46 1HG2 THR 46 -7.656 -2.808 9.125 382 HG23 THR 46 2HG2 THR 46 -7.641 -4.294 10.076 383 H PHE 47 H PHE 47 -8.476 0.788 11.631 384 HA PHE 47 HA PHE 47 -8.024 1.777 8.913 385 HB2 PHE 47 2HB PHE 47 -8.186 4.034 9.981 386 HB3 PHE 47 1HB PHE 47 -9.636 3.051 10.164 387 HD1 PHE 47 2HD PHE 47 -6.703 4.433 11.890 388 HD2 PHE 47 1HD PHE 47 -10.366 2.307 12.312 389 HE1 PHE 47 2HE PHE 47 -6.606 4.755 14.328 390 HE2 PHE 47 1HE PHE 47 -10.275 2.626 14.750 391 HZ PHE 47 HZ PHE 47 -8.394 3.851 15.760 392 H ILE 48 H ILE 48 -6.033 0.164 10.303 393 HA ILE 48 HA ILE 48 -3.850 2.143 10.410 394 HB ILE 48 HB ILE 48 -3.937 -0.427 11.988 395 HG12 ILE 48 2HG1 ILE 48 -3.938 1.732 13.760 396 HG13 ILE 48 1HG1 ILE 48 -5.120 2.172 12.531 397 HG21 ILE 48 1HG2 ILE 48 -1.988 1.835 11.769 398 HG22 ILE 48 2HG2 ILE 48 -1.696 0.098 11.673 399 HG23 ILE 48 3HG2 ILE 48 -2.066 0.845 13.227 400 HD11 ILE 48 3HD1 ILE 48 -6.364 0.166 12.933 401 HD12 ILE 48 1HD1 ILE 48 -6.085 0.986 14.468 402 HD13 ILE 48 2HD1 ILE 48 -5.126 -0.429 14.038 403 H ILE 49 H ILE 49 -2.546 1.905 8.726 404 HA ILE 49 HA ILE 49 -2.303 -0.730 7.460 405 HB ILE 49 HB ILE 49 -1.331 1.911 6.374 406 HG12 ILE 49 2HG1 ILE 49 -3.901 0.485 5.668 407 HG13 ILE 49 1HG1 ILE 49 -3.818 1.839 6.789 408 HG21 ILE 49 1HG2 ILE 49 -1.360 -0.874 5.418 409 HG22 ILE 49 2HG2 ILE 49 -0.260 0.451 5.033 410 HG23 ILE 49 3HG2 ILE 49 -1.832 0.348 4.238 411 HD11 ILE 49 3HD1 ILE 49 -2.492 2.523 4.350 412 HD12 ILE 49 1HD1 ILE 49 -3.891 3.277 5.115 413 HD13 ILE 49 2HD1 ILE 49 -4.115 1.922 4.009 414 H ASP 50 H ASP 50 -0.680 -1.895 8.269 415 HA ASP 50 HA ASP 50 1.899 -0.546 8.742 416 HB2 ASP 50 2HB ASP 50 0.438 -1.795 10.650 417 HB3 ASP 50 1HB ASP 50 1.406 -3.146 10.070 418 H ASP 51 H ASP 51 3.544 -2.699 8.999 419 HA ASP 51 HA ASP 51 4.109 -3.386 6.345 420 HB2 ASP 51 2HB ASP 51 5.568 -3.457 8.556 421 HB3 ASP 51 1HB ASP 51 5.064 -5.145 8.562 422 H GLU 52 H GLU 52 2.382 -5.135 8.876 423 HA GLU 52 HA GLU 52 2.152 -7.610 7.590 424 HB2 GLU 52 2HB GLU 52 0.854 -6.240 9.835 425 HB3 GLU 52 1HB GLU 52 -0.187 -7.400 9.020 426 HG2 GLU 52 2HG GLU 52 0.787 -8.716 10.615 427 HG3 GLU 52 1HG GLU 52 1.867 -8.983 9.248 428 H ILE 53 H ILE 53 0.181 -4.691 7.370 429 HA ILE 53 HA ILE 53 -1.792 -5.903 5.669 430 HB ILE 53 HB ILE 53 -1.307 -2.955 6.083 431 HG12 ILE 53 2HG1 ILE 53 -1.560 -4.029 8.257 432 HG13 ILE 53 1HG1 ILE 53 -3.006 -3.100 7.872 433 HG21 ILE 53 1HG2 ILE 53 -3.964 -3.237 5.778 434 HG22 ILE 53 2HG2 ILE 53 -3.395 -4.580 4.785 435 HG23 ILE 53 3HG2 ILE 53 -2.853 -2.938 4.440 436 HD11 ILE 53 3HD1 ILE 53 -2.648 -5.997 8.218 437 HD12 ILE 53 1HD1 ILE 53 -3.729 -5.501 6.915 438 HD13 ILE 53 2HD1 ILE 53 -4.037 -4.968 8.568 439 H ALA 54 H ALA 54 0.909 -3.645 5.199 440 HA ALA 54 HA ALA 54 0.561 -3.184 2.465 441 HB1 ALA 54 1HB ALA 54 2.994 -2.606 2.479 442 HB2 ALA 54 2HB ALA 54 3.058 -3.167 4.150 443 HB3 ALA 54 3HB ALA 54 2.040 -1.792 3.719 444 H ASN 55 H ASN 55 2.487 -5.658 4.137 445 HA ASN 55 HA ASN 55 3.572 -6.844 1.827 446 HB2 ASN 55 2HB ASN 55 4.378 -7.194 4.180 447 HB3 ASN 55 1HB ASN 55 2.977 -8.224 4.450 448 HD21 ASN 55 1HD2 ASN 55 6.126 -8.002 3.179 449 HD22 ASN 55 2HD2 ASN 55 6.251 -9.618 2.580 450 H GLU 56 H GLU 56 0.839 -7.918 3.852 451 HA GLU 56 HA GLU 56 0.039 -10.031 2.196 452 HB2 GLU 56 2HB GLU 56 -1.190 -8.475 4.401 453 HB3 GLU 56 1HB GLU 56 -2.290 -9.375 3.368 454 HG2 GLU 56 2HG GLU 56 -1.115 -11.432 3.852 455 HG3 GLU 56 1HG GLU 56 0.070 -10.552 4.817 456 H PHE 57 H PHE 57 -0.643 -6.606 2.074 457 HA PHE 57 HA PHE 57 -2.860 -6.649 0.356 458 HB2 PHE 57 2HB PHE 57 -2.160 -4.638 1.576 459 HB3 PHE 57 1HB PHE 57 -0.693 -4.551 0.606 460 HD1 PHE 57 1HD PHE 57 -4.396 -4.653 0.197 461 HD2 PHE 57 2HD PHE 57 -0.671 -3.177 -1.235 462 HE1 PHE 57 1HE PHE 57 -5.584 -3.281 -1.466 463 HE2 PHE 57 2HE PHE 57 -1.852 -1.801 -2.898 464 HZ PHE 57 HZ PHE 57 -4.311 -1.852 -3.015 465 H LEU 58 H LEU 58 0.573 -6.095 -0.450 466 HA LEU 58 HA LEU 58 0.270 -6.067 -3.222 467 HB2 LEU 58 2HB LEU 58 2.659 -7.028 -1.647 468 HB3 LEU 58 1HB LEU 58 2.667 -6.533 -3.329 469 HG LEU 58 HG LEU 58 2.110 -4.750 -0.958 470 HD11 LEU 58 1HD1 LEU 58 4.393 -4.514 -2.881 471 HD12 LEU 58 2HD1 LEU 58 4.497 -5.563 -1.467 472 HD13 LEU 58 3HD1 LEU 58 4.223 -3.832 -1.263 473 HD21 LEU 58 3HD2 LEU 58 0.894 -3.644 -2.515 474 HD22 LEU 58 1HD2 LEU 58 1.732 -4.404 -3.868 475 HD23 LEU 58 2HD2 LEU 58 2.487 -3.063 -3.004 476 H LYS 59 H LYS 59 1.007 -8.776 -1.051 477 HA LYS 59 HA LYS 59 1.241 -10.726 -3.085 478 HB2 LYS 59 2HB LYS 59 0.424 -11.184 -0.214 479 HB3 LYS 59 1HB LYS 59 1.141 -12.357 -1.309 480 HG2 LYS 59 2HG LYS 59 2.818 -10.029 -1.078 481 HG3 LYS 59 1HG LYS 59 2.458 -10.705 0.511 482 HD2 LYS 59 2HD LYS 59 4.407 -11.812 -0.213 483 HD3 LYS 59 1HD LYS 59 3.094 -12.962 -0.476 484 HE2 LYS 59 2HE LYS 59 3.304 -12.887 -2.723 485 HE3 LYS 59 1HE LYS 59 3.691 -11.166 -2.733 486 HZ1 LYS 59 3HZ LYS 59 5.624 -12.271 -3.428 487 HZ2 LYS 59 1HZ LYS 59 5.513 -13.439 -2.207 488 HZ3 LYS 59 2HZ LYS 59 5.923 -11.845 -1.818 489 H SER 60 H SER 60 -1.482 -9.378 -1.376 490 HA SER 60 HA SER 60 -3.339 -11.418 -2.145 491 HB2 SER 60 2HB SER 60 -3.492 -8.790 -0.758 492 HB3 SER 60 1HB SER 60 -4.968 -9.395 -1.506 493 HG SER 60 HG SER 60 -3.380 -10.974 0.224 494 H ILE 61 H ILE 61 -2.785 -8.061 -3.201 495 HA ILE 61 HA ILE 61 -4.708 -8.020 -5.234 496 HB ILE 61 HB ILE 61 -3.451 -6.136 -6.189 497 HG12 ILE 61 2HG1 ILE 61 -1.384 -6.813 -4.082 498 HG13 ILE 61 1HG1 ILE 61 -1.180 -7.014 -5.820 499 HG21 ILE 61 1HG2 ILE 61 -3.960 -6.261 -3.246 500 HG22 ILE 61 2HG2 ILE 61 -4.877 -5.439 -4.508 501 HG23 ILE 61 3HG2 ILE 61 -3.326 -4.788 -3.978 502 HD11 ILE 61 3HD1 ILE 61 -1.217 -4.525 -4.193 503 HD12 ILE 61 1HD1 ILE 61 -1.705 -4.463 -5.886 504 HD13 ILE 61 2HD1 ILE 61 -0.094 -5.035 -5.452 505 H GLY 62 H GLY 62 -1.454 -9.291 -5.167 506 HA2 GLY 62 2HA GLY 62 -0.846 -11.067 -6.670 507 HA3 GLY 62 1HA GLY 62 -1.887 -10.338 -7.885 508 H ALA 63 H ALA 63 0.360 -8.507 -5.917 509 HA ALA 63 HA ALA 63 1.582 -7.359 -8.224 510 HB1 ALA 63 1HB ALA 63 2.913 -7.078 -5.598 511 HB2 ALA 63 2HB ALA 63 1.256 -6.484 -5.718 512 HB3 ALA 63 3HB ALA 63 2.498 -5.854 -6.800 513 H GLU 64 H GLU 64 2.870 -8.571 -9.467 514 HA GLU 64 HA GLU 64 5.321 -9.599 -8.369 515 HB2 GLU 64 2HB GLU 64 3.079 -11.372 -8.765 516 HB3 GLU 64 1HB GLU 64 4.405 -11.825 -9.828 517 HG2 GLU 64 2HG GLU 64 5.382 -12.850 -8.137 518 HG3 GLU 64 1HG GLU 64 5.535 -11.304 -7.304 519 H VAL 65 H VAL 65 6.849 -10.209 -10.003 520 HA VAL 65 HA VAL 65 6.289 -8.902 -12.563 521 HB VAL 65 HB VAL 65 8.773 -9.073 -12.901 522 HG11 VAL 65 1HG1 VAL 65 8.035 -6.971 -12.229 523 HG12 VAL 65 2HG1 VAL 65 9.273 -7.366 -11.037 524 HG13 VAL 65 3HG1 VAL 65 7.567 -7.540 -10.627 525 HG21 VAL 65 3HG2 VAL 65 10.212 -9.732 -11.165 526 HG22 VAL 65 1HG2 VAL 65 8.972 -10.985 -11.224 527 HG23 VAL 65 2HG2 VAL 65 8.911 -9.742 -9.975 528 H GLU 66 H GLU 66 5.268 -11.566 -11.940 529 HA GLU 66 HA GLU 66 5.950 -12.860 -14.367 530 HB2 GLU 66 2HB GLU 66 7.447 -13.604 -11.966 531 HB3 GLU 66 1HB GLU 66 6.649 -14.971 -12.732 532 HG2 GLU 66 2HG GLU 66 7.774 -13.684 -14.866 533 HG3 GLU 66 1HG GLU 66 8.964 -13.424 -13.591 534 H LEU 67 H LEU 67 4.111 -13.761 -14.990 535 HA LEU 67 HA LEU 67 2.402 -15.039 -12.965 536 HB2 LEU 67 2HB LEU 67 1.730 -12.676 -14.009 537 HB3 LEU 67 1HB LEU 67 1.111 -13.704 -15.287 538 HG LEU 67 HG LEU 67 0.333 -13.949 -12.380 539 HD11 LEU 67 1HD1 LEU 67 -0.351 -11.835 -13.750 540 HD12 LEU 67 2HD1 LEU 67 -1.547 -12.688 -12.774 541 HD13 LEU 67 3HD1 LEU 67 -1.485 -12.944 -14.520 542 HD21 LEU 67 3HD2 LEU 67 -1.521 -15.314 -13.358 543 HD22 LEU 67 1HD2 LEU 67 0.079 -16.043 -13.490 544 HD23 LEU 67 2HD2 LEU 67 -0.658 -15.274 -14.896 545 HA PRO 68 HA PRO 68 3.283 -17.803 -16.653 546 HB2 PRO 68 2HB PRO 68 4.275 -19.896 -15.245 547 HB3 PRO 68 1HB PRO 68 5.284 -18.560 -15.808 548 HG2 PRO 68 2HG PRO 68 4.106 -19.030 -13.096 549 HG3 PRO 68 1HG PRO 68 5.735 -18.478 -13.527 550 HD2 PRO 68 2HD PRO 68 3.782 -16.783 -12.715 551 HD3 PRO 68 1HD PRO 68 5.046 -16.307 -13.868 552 H GLN 69 H GLN 69 0.847 -17.610 -16.423 553 HA GLN 69 HA GLN 69 -0.201 -20.230 -15.689 554 HB2 GLN 69 2HB GLN 69 -0.522 -18.134 -13.943 555 HB3 GLN 69 1HB GLN 69 -2.002 -18.055 -14.887 556 HG2 GLN 69 2HG GLN 69 -2.680 -20.185 -14.226 557 HG3 GLN 69 1HG GLN 69 -1.062 -20.631 -13.685 558 HE21 GLN 69 1HE2 GLN 69 -0.285 -18.726 -12.048 559 HE22 GLN 69 2HE2 GLN 69 -1.363 -18.540 -10.711 560 H GLU 70 H GLU 70 -2.575 -20.389 -16.406 561 HA GLU 70 HA GLU 70 -2.859 -18.992 -18.986 562 HB2 GLU 70 2HB GLU 70 -2.440 -21.516 -18.993 563 HB3 GLU 70 1HB GLU 70 -4.059 -21.676 -18.329 564 HG2 GLU 70 2HG GLU 70 -4.953 -20.499 -20.301 565 HG3 GLU 70 1HG GLU 70 -3.324 -20.441 -20.972 566 H ILE 71 H ILE 71 -4.697 -20.476 -16.330 567 HA ILE 71 HA ILE 71 -6.697 -19.943 -15.382 568 HB ILE 71 HB ILE 71 -6.459 -17.297 -16.816 569 HG12 ILE 71 2HG1 ILE 71 -5.690 -17.515 -13.969 570 HG13 ILE 71 1HG1 ILE 71 -4.582 -18.265 -15.112 571 HG21 ILE 71 1HG2 ILE 71 -7.955 -18.093 -14.322 572 HG22 ILE 71 2HG2 ILE 71 -8.669 -17.753 -15.897 573 HG23 ILE 71 3HG2 ILE 71 -7.867 -16.466 -14.998 574 HD11 ILE 71 3HD1 ILE 71 -5.000 -15.478 -14.500 575 HD12 ILE 71 1HD1 ILE 71 -5.130 -15.796 -16.229 576 HD13 ILE 71 2HD1 ILE 71 -3.672 -16.263 -15.354 577 H LYS 72 H LYS 72 -8.930 -19.929 -15.836 578 HA LYS 72 HA LYS 72 -10.790 -20.407 -17.053 579 HB2 LYS 72 2HB LYS 72 -9.528 -18.222 -18.351 580 HB3 LYS 72 1HB LYS 72 -10.121 -19.299 -19.607 581 HG2 LYS 72 2HG LYS 72 -11.849 -17.761 -19.192 582 HG3 LYS 72 1HG LYS 72 -12.344 -19.266 -18.414 583 HD2 LYS 72 2HD LYS 72 -11.843 -18.444 -16.267 584 HD3 LYS 72 1HD LYS 72 -10.902 -17.098 -16.913 585 HE2 LYS 72 2HE LYS 72 -13.741 -17.245 -17.729 586 HE3 LYS 72 1HE LYS 72 -13.427 -16.849 -16.039 587 HZ1 LYS 72 3HZ LYS 72 -12.855 -15.306 -18.446 588 HZ2 LYS 72 1HZ LYS 72 -11.722 -15.208 -17.194 589 HZ3 LYS 72 2HZ LYS 72 -13.333 -14.780 -16.911 Start of MODEL 15 1 H MET 1 H MET 1 2.177 17.522 -4.718 2 HA MET 1 HA MET 1 3.691 16.014 -3.471 3 HB2 MET 1 2HB MET 1 2.476 18.585 -2.565 4 HB3 MET 1 1HB MET 1 3.616 17.786 -1.491 5 HG2 MET 1 2HG MET 1 4.989 17.690 -3.805 6 HG3 MET 1 1HG MET 1 4.068 19.174 -4.042 7 HE1 MET 1 2HE MET 1 5.244 21.051 -3.905 8 HE2 MET 1 3HE MET 1 6.870 20.379 -4.027 9 HE3 MET 1 1HE MET 1 6.489 21.542 -2.756 10 H ASP 2 H ASP 2 3.419 14.144 -2.427 11 HA ASP 2 HA ASP 2 2.793 12.616 -0.865 12 HB2 ASP 2 2HB ASP 2 2.409 15.190 0.641 13 HB3 ASP 2 1HB ASP 2 2.001 13.646 1.381 14 H GLU 3 H GLU 3 1.022 12.467 -2.650 15 HA GLU 3 HA GLU 3 -1.626 13.216 -1.736 16 HB2 GLU 3 2HB GLU 3 -0.785 11.618 -4.163 17 HB3 GLU 3 1HB GLU 3 -2.400 12.241 -3.848 18 HG2 GLU 3 2HG GLU 3 -1.433 14.542 -3.870 19 HG3 GLU 3 1HG GLU 3 0.092 13.829 -4.397 20 H PHE 4 H PHE 4 0.391 10.365 -1.922 21 HA PHE 4 HA PHE 4 -1.569 8.399 -1.527 22 HB2 PHE 4 2HB PHE 4 0.776 7.934 -2.199 23 HB3 PHE 4 1HB PHE 4 1.303 8.360 -0.573 24 HD1 PHE 4 1HD PHE 4 -1.565 6.309 -1.780 25 HD2 PHE 4 2HD PHE 4 2.062 6.440 0.445 26 HE1 PHE 4 1HE PHE 4 -1.927 3.985 -1.058 27 HE2 PHE 4 2HE PHE 4 1.707 4.116 1.169 28 HZ PHE 4 HZ PHE 4 -0.290 2.885 0.417 29 H VAL 5 H VAL 5 0.445 10.146 0.825 30 HA VAL 5 HA VAL 5 -0.751 8.904 3.097 31 HB VAL 5 HB VAL 5 0.753 11.521 3.047 32 HG11 VAL 5 1HG1 VAL 5 0.984 9.646 5.306 33 HG12 VAL 5 2HG1 VAL 5 -0.591 10.414 5.106 34 HG13 VAL 5 3HG1 VAL 5 0.857 11.405 5.296 35 HG21 VAL 5 3HG2 VAL 5 1.693 8.715 2.793 36 HG22 VAL 5 1HG2 VAL 5 2.640 9.815 3.795 37 HG23 VAL 5 2HG2 VAL 5 2.349 10.196 2.097 38 H LYS 6 H LYS 6 -1.223 11.984 1.422 39 HA LYS 6 HA LYS 6 -3.080 13.056 3.275 40 HB2 LYS 6 2HB LYS 6 -1.757 14.311 1.494 41 HB3 LYS 6 1HB LYS 6 -2.946 13.726 0.338 42 HG2 LYS 6 2HG LYS 6 -4.717 14.821 1.693 43 HG3 LYS 6 1HG LYS 6 -3.448 15.511 2.709 44 HD2 LYS 6 2HD LYS 6 -3.727 15.940 -0.265 45 HD3 LYS 6 1HD LYS 6 -4.228 17.084 0.981 46 HE2 LYS 6 2HE LYS 6 -1.855 17.081 1.797 47 HE3 LYS 6 1HE LYS 6 -1.433 16.138 0.369 48 HZ1 LYS 6 3HZ LYS 6 -2.237 17.942 -1.019 49 HZ2 LYS 6 1HZ LYS 6 -1.030 18.496 0.030 50 HZ3 LYS 6 2HZ LYS 6 -2.654 18.846 0.348 51 H GLY 7 H GLY 7 -3.396 11.008 0.439 52 HA2 GLY 7 2HA GLY 7 -6.200 11.227 0.135 53 HA3 GLY 7 1HA GLY 7 -5.202 9.914 -0.468 54 H LEU 8 H LEU 8 -4.185 9.093 2.087 55 HA LEU 8 HA LEU 8 -6.320 7.372 2.872 56 HB2 LEU 8 2HB LEU 8 -3.558 7.845 3.976 57 HB3 LEU 8 1HB LEU 8 -4.670 6.683 4.676 58 HG LEU 8 HG LEU 8 -3.824 6.566 1.787 59 HD11 LEU 8 1HD1 LEU 8 -2.217 4.840 2.467 60 HD12 LEU 8 2HD1 LEU 8 -2.569 5.193 4.160 61 HD13 LEU 8 3HD1 LEU 8 -1.819 6.422 3.140 62 HD21 LEU 8 3HD2 LEU 8 -4.585 4.178 3.347 63 HD22 LEU 8 1HD2 LEU 8 -4.948 4.609 1.676 64 HD23 LEU 8 2HD2 LEU 8 -5.876 5.326 2.992 65 H MET 9 H MET 9 -4.611 10.044 4.482 66 HA MET 9 HA MET 9 -6.049 9.983 6.884 67 HB2 MET 9 2HB MET 9 -4.113 11.690 5.624 68 HB3 MET 9 1HB MET 9 -5.374 12.679 6.348 69 HG2 MET 9 2HG MET 9 -4.873 12.011 8.476 70 HG3 MET 9 1HG MET 9 -4.192 10.473 7.951 71 HE1 MET 9 3HE MET 9 -1.196 10.522 8.704 72 HE2 MET 9 1HE MET 9 -0.776 10.915 7.037 73 HE3 MET 9 2HE MET 9 -2.199 9.929 7.380 74 H LYS 10 H LYS 10 -6.823 11.340 3.766 75 HA LYS 10 HA LYS 10 -8.847 13.125 4.508 76 HB2 LYS 10 2HB LYS 10 -8.110 11.666 2.026 77 HB3 LYS 10 1HB LYS 10 -9.735 12.334 2.106 78 HG2 LYS 10 2HG LYS 10 -8.953 14.527 2.268 79 HG3 LYS 10 1HG LYS 10 -7.328 14.009 2.721 80 HD2 LYS 10 2HD LYS 10 -7.218 14.737 0.460 81 HD3 LYS 10 1HD LYS 10 -7.136 12.974 0.436 82 HE2 LYS 10 2HE LYS 10 -9.143 12.761 -0.586 83 HE3 LYS 10 1HE LYS 10 -9.836 14.147 0.254 84 HZ1 LYS 10 3HZ LYS 10 -9.200 15.559 -1.361 85 HZ2 LYS 10 1HZ LYS 10 -9.211 14.166 -2.322 86 HZ3 LYS 10 2HZ LYS 10 -7.754 14.741 -1.683 87 H ASN 11 H ASN 11 -8.949 9.656 3.833 88 HA ASN 11 HA ASN 11 -11.809 9.545 4.311 89 HB2 ASN 11 2HB ASN 11 -9.729 7.657 3.336 90 HB3 ASN 11 1HB ASN 11 -11.132 6.957 4.137 91 HD21 ASN 11 1HD2 ASN 11 -10.164 9.147 1.548 92 HD22 ASN 11 2HD2 ASN 11 -11.530 8.841 0.535 93 H GLY 12 H GLY 12 -8.824 8.871 5.991 94 HA2 GLY 12 2HA GLY 12 -9.000 9.062 8.454 95 HA3 GLY 12 1HA GLY 12 -10.412 8.021 8.338 96 H TYR 13 H TYR 13 -7.286 7.711 6.698 97 HA TYR 13 HA TYR 13 -6.850 5.204 8.181 98 HB2 TYR 13 2HB TYR 13 -6.504 5.763 5.239 99 HB3 TYR 13 1HB TYR 13 -5.704 4.410 6.032 100 HD1 TYR 13 2HD TYR 13 -9.005 5.852 5.187 101 HD2 TYR 13 1HD TYR 13 -6.887 2.418 6.535 102 HE1 TYR 13 2HE TYR 13 -11.032 4.492 4.888 103 HE2 TYR 13 1HE TYR 13 -8.907 1.048 6.239 104 HH TYR 13 HH TYR 13 -11.021 1.164 4.829 105 H LEU 14 H LEU 14 -4.623 4.551 8.408 106 HA LEU 14 HA LEU 14 -2.702 6.764 8.124 107 HB2 LEU 14 2HB LEU 14 -2.823 4.845 10.448 108 HB3 LEU 14 1HB LEU 14 -1.720 6.195 10.259 109 HG LEU 14 HG LEU 14 -4.710 6.414 10.614 110 HD11 LEU 14 1HD1 LEU 14 -4.059 7.437 12.798 111 HD12 LEU 14 2HD1 LEU 14 -2.412 6.874 12.504 112 HD13 LEU 14 3HD1 LEU 14 -3.727 5.710 12.668 113 HD21 LEU 14 3HD2 LEU 14 -3.960 8.863 11.058 114 HD22 LEU 14 1HD2 LEU 14 -4.165 8.301 9.398 115 HD23 LEU 14 2HD2 LEU 14 -2.550 8.414 10.098 116 H ILE 15 H ILE 15 -0.414 6.030 8.192 117 HA ILE 15 HA ILE 15 0.007 3.248 7.419 118 HB ILE 15 HB ILE 15 -0.403 4.406 5.297 119 HG12 ILE 15 2HG1 ILE 15 2.550 3.824 5.521 120 HG13 ILE 15 1HG1 ILE 15 1.331 2.554 5.566 121 HG21 ILE 15 1HG2 ILE 15 0.159 6.574 5.268 122 HG22 ILE 15 2HG2 ILE 15 1.750 5.989 4.782 123 HG23 ILE 15 3HG2 ILE 15 1.428 6.363 6.475 124 HD11 ILE 15 3HD1 ILE 15 2.484 3.100 3.337 125 HD12 ILE 15 1HD1 ILE 15 1.417 4.504 3.302 126 HD13 ILE 15 2HD1 ILE 15 0.735 2.878 3.353 127 H THR 16 H THR 16 2.145 2.525 7.668 128 HA THR 16 HA THR 16 3.705 4.119 9.539 129 HB THR 16 HB THR 16 5.153 1.985 9.566 130 HG1 THR 16 1HG THR 16 3.833 0.120 8.904 131 HG21 THR 16 3HG2 THR 16 2.302 1.655 10.482 132 HG22 THR 16 1HG2 THR 16 3.462 2.706 11.295 133 HG23 THR 16 2HG2 THR 16 3.758 0.971 11.203 134 HA PRO 17 HA PRO 17 6.824 5.465 6.736 135 HB2 PRO 17 2HB PRO 17 9.114 5.054 8.179 136 HB3 PRO 17 1HB PRO 17 7.998 6.393 8.467 137 HG2 PRO 17 2HG PRO 17 8.233 3.779 9.906 138 HG3 PRO 17 1HG PRO 17 7.987 5.405 10.570 139 HD2 PRO 17 2HD PRO 17 5.960 3.657 10.305 140 HD3 PRO 17 1HD PRO 17 5.727 5.402 10.073 141 H SER 18 H SER 18 7.208 2.289 8.183 142 HA SER 18 HA SER 18 9.231 1.393 6.375 143 HB2 SER 18 2HB SER 18 9.110 0.283 8.481 144 HB3 SER 18 1HB SER 18 7.391 -0.056 8.281 145 HG SER 18 HG SER 18 9.382 -1.083 6.548 146 H ALA 19 H ALA 19 5.730 1.342 6.418 147 HA ALA 19 HA ALA 19 5.581 -0.396 4.100 148 HB1 ALA 19 1HB ALA 19 3.157 1.013 5.012 149 HB2 ALA 19 2HB ALA 19 3.911 -0.071 6.181 150 HB3 ALA 19 3HB ALA 19 3.400 -0.686 4.608 151 H TYR 20 H TYR 20 5.370 3.003 4.868 152 HA TYR 20 HA TYR 20 4.149 3.914 2.506 153 HB2 TYR 20 2HB TYR 20 4.388 5.326 4.494 154 HB3 TYR 20 1HB TYR 20 6.138 5.326 4.300 155 HD1 TYR 20 2HD TYR 20 3.046 6.194 2.386 156 HD2 TYR 20 1HD TYR 20 7.118 7.113 3.207 157 HE1 TYR 20 2HE TYR 20 2.879 8.187 0.956 158 HE2 TYR 20 1HE TYR 20 6.961 9.110 1.781 159 HH TYR 20 HH TYR 20 4.730 9.616 -0.435 160 H TYR 21 H TYR 21 7.525 3.288 3.321 161 HA TYR 21 HA TYR 21 8.661 4.372 0.979 162 HB2 TYR 21 2HB TYR 21 9.559 2.570 3.157 163 HB3 TYR 21 1HB TYR 21 10.469 2.491 1.650 164 HD1 TYR 21 2HD TYR 21 9.050 5.118 3.911 165 HD2 TYR 21 1HD TYR 21 12.324 3.844 1.510 166 HE1 TYR 21 2HE TYR 21 10.311 7.122 4.574 167 HE2 TYR 21 1HE TYR 21 13.592 5.844 2.167 168 HH TYR 21 HH TYR 21 13.202 8.077 3.017 169 H LEU 22 H LEU 22 7.146 1.313 1.669 170 HA LEU 22 HA LEU 22 8.047 0.167 -0.857 171 HB2 LEU 22 2HB LEU 22 6.244 -1.042 1.238 172 HB3 LEU 22 1HB LEU 22 6.997 -1.882 -0.104 173 HG LEU 22 HG LEU 22 8.618 -0.539 2.048 174 HD11 LEU 22 1HD1 LEU 22 8.481 -2.320 3.431 175 HD12 LEU 22 2HD1 LEU 22 8.256 -3.468 2.111 176 HD13 LEU 22 3HD1 LEU 22 6.898 -2.494 2.674 177 HD21 LEU 22 3HD2 LEU 22 9.536 -2.936 0.591 178 HD22 LEU 22 1HD2 LEU 22 10.424 -1.494 1.085 179 HD23 LEU 22 2HD2 LEU 22 9.401 -1.451 -0.352 180 H LEU 23 H LEU 23 5.203 1.549 0.617 181 HA LEU 23 HA LEU 23 3.454 0.700 -1.527 182 HB2 LEU 23 2HB LEU 23 3.081 2.412 0.916 183 HB3 LEU 23 1HB LEU 23 1.833 2.271 -0.307 184 HG LEU 23 HG LEU 23 2.989 -0.074 1.202 185 HD11 LEU 23 1HD1 LEU 23 0.670 -0.022 2.280 186 HD12 LEU 23 2HD1 LEU 23 0.594 1.652 1.729 187 HD13 LEU 23 3HD1 LEU 23 1.865 1.146 2.843 188 HD21 LEU 23 3HD2 LEU 23 1.055 -1.269 0.312 189 HD22 LEU 23 1HD2 LEU 23 2.066 -0.637 -0.986 190 HD23 LEU 23 2HD2 LEU 23 0.560 0.177 -0.566 191 H VAL 24 H VAL 24 5.309 3.517 -0.643 192 HA VAL 24 HA VAL 24 4.048 5.459 -2.204 193 HB VAL 24 HB VAL 24 5.780 6.001 -0.556 194 HG11 VAL 24 1HG1 VAL 24 7.229 4.006 -1.307 195 HG12 VAL 24 2HG1 VAL 24 8.035 5.486 -0.786 196 HG13 VAL 24 3HG1 VAL 24 7.879 5.125 -2.505 197 HG21 VAL 24 3HG2 VAL 24 5.226 7.412 -2.675 198 HG22 VAL 24 1HG2 VAL 24 6.863 6.974 -3.163 199 HG23 VAL 24 2HG2 VAL 24 6.598 7.855 -1.659 200 H GLY 25 H GLY 25 6.653 3.193 -3.044 201 HA2 GLY 25 2HA GLY 25 6.929 4.164 -5.719 202 HA3 GLY 25 1HA GLY 25 7.604 2.674 -5.079 203 H HIS 26 H HIS 26 5.154 1.495 -4.240 204 HA HIS 26 HA HIS 26 4.297 0.409 -6.752 205 HB2 HIS 26 2HB HIS 26 4.455 -0.598 -4.235 206 HB3 HIS 26 1HB HIS 26 2.735 -0.244 -4.332 207 HD1 HIS 26 1HD HIS 26 5.075 -1.695 -6.959 208 HD2 HIS 26 2HD HIS 26 1.582 -2.620 -4.908 209 HE1 HIS 26 1HE HIS 26 4.281 -3.872 -7.933 210 HE2 HIS 26 2HE HIS 26 2.101 -4.344 -6.764 211 H PHE 27 H PHE 27 3.326 3.073 -4.913 212 HA PHE 27 HA PHE 27 0.562 2.990 -5.854 213 HB2 PHE 27 2HB PHE 27 1.026 3.650 -3.510 214 HB3 PHE 27 1HB PHE 27 1.943 5.031 -4.098 215 HD1 PHE 27 2HD PHE 27 -1.438 3.495 -4.226 216 HD2 PHE 27 1HD PHE 27 0.882 7.053 -4.488 217 HE1 PHE 27 2HE PHE 27 -3.503 4.831 -4.291 218 HE2 PHE 27 1HE PHE 27 -1.178 8.396 -4.554 219 HZ PHE 27 HZ PHE 27 -3.374 7.285 -4.455 220 H ASN 28 H ASN 28 3.310 5.265 -5.915 221 HA ASN 28 HA ASN 28 2.201 7.078 -7.729 222 HB2 ASN 28 2HB ASN 28 4.861 6.525 -6.621 223 HB3 ASN 28 1HB ASN 28 4.900 7.238 -8.231 224 HD21 ASN 28 1HD2 ASN 28 5.946 8.982 -6.987 225 HD22 ASN 28 2HD2 ASN 28 4.937 10.190 -6.275 226 H GLU 29 H GLU 29 3.952 4.079 -8.242 227 HA GLU 29 HA GLU 29 4.515 4.343 -10.967 228 HB2 GLU 29 2HB GLU 29 4.370 2.151 -9.020 229 HB3 GLU 29 1HB GLU 29 4.043 1.655 -10.673 230 HG2 GLU 29 2HG GLU 29 6.205 2.992 -11.215 231 HG3 GLU 29 1HG GLU 29 6.535 2.787 -9.494 232 H GLY 30 H GLY 30 1.562 3.509 -9.297 233 HA2 GLY 30 2HA GLY 30 -0.573 3.859 -10.294 234 HA3 GLY 30 1HA GLY 30 0.156 3.608 -11.873 235 H LYS 31 H LYS 31 0.821 1.465 -9.205 236 HA LYS 31 HA LYS 31 -0.306 -0.742 -10.708 237 HB2 LYS 31 2HB LYS 31 1.925 -0.823 -9.499 238 HB3 LYS 31 1HB LYS 31 1.011 -0.868 -7.998 239 HG2 LYS 31 2HG LYS 31 1.418 -3.098 -8.384 240 HG3 LYS 31 1HG LYS 31 -0.189 -2.894 -9.083 241 HD2 LYS 31 2HD LYS 31 0.974 -2.500 -11.298 242 HD3 LYS 31 1HD LYS 31 2.455 -3.058 -10.515 243 HE2 LYS 31 2HE LYS 31 1.676 -5.219 -10.289 244 HE3 LYS 31 1HE LYS 31 -0.015 -4.727 -10.350 245 HZ1 LYS 31 3HZ LYS 31 1.895 -4.974 -12.596 246 HZ2 LYS 31 1HZ LYS 31 0.443 -4.119 -12.744 247 HZ3 LYS 31 2HZ LYS 31 0.420 -5.772 -12.386 248 H PHE 32 H PHE 32 -0.561 0.263 -7.287 249 HA PHE 32 HA PHE 32 -3.295 -0.824 -7.285 250 HB2 PHE 32 2HB PHE 32 -3.076 -1.281 -4.985 251 HB3 PHE 32 1HB PHE 32 -1.526 -1.745 -5.675 252 HD1 PHE 32 1HD PHE 32 0.430 -0.196 -5.418 253 HD2 PHE 32 2HD PHE 32 -3.229 0.362 -3.317 254 HE1 PHE 32 1HE PHE 32 1.580 1.271 -3.809 255 HE2 PHE 32 2HE PHE 32 -2.086 1.829 -1.707 256 HZ PHE 32 HZ PHE 32 0.322 2.284 -1.952 257 H SER 33 H SER 33 -4.967 0.511 -7.068 258 HA SER 33 HA SER 33 -4.488 3.345 -6.782 259 HB2 SER 33 2HB SER 33 -7.135 3.272 -6.923 260 HB3 SER 33 1HB SER 33 -6.142 3.021 -8.357 261 HG SER 33 HG SER 33 -7.862 1.440 -7.961 262 H LEU 34 H LEU 34 -5.937 4.642 -5.321 263 HA LEU 34 HA LEU 34 -5.481 3.953 -2.648 264 HB2 LEU 34 2HB LEU 34 -6.954 6.069 -4.086 265 HB3 LEU 34 1HB LEU 34 -7.479 5.773 -2.439 266 HG LEU 34 HG LEU 34 -4.618 6.359 -3.189 267 HD11 LEU 34 1HD1 LEU 34 -6.833 8.202 -2.329 268 HD12 LEU 34 2HD1 LEU 34 -5.823 8.310 -3.770 269 HD13 LEU 34 3HD1 LEU 34 -5.125 8.611 -2.180 270 HD21 LEU 34 3HD2 LEU 34 -4.405 5.455 -1.124 271 HD22 LEU 34 1HD2 LEU 34 -6.076 5.801 -0.678 272 HD23 LEU 34 2HD2 LEU 34 -4.866 7.084 -0.628 273 H ILE 35 H ILE 35 -8.303 3.524 -4.707 274 HA ILE 35 HA ILE 35 -10.165 2.805 -2.746 275 HB ILE 35 HB ILE 35 -10.789 3.294 -5.072 276 HG12 ILE 35 2HG1 ILE 35 -11.608 0.490 -4.287 277 HG13 ILE 35 1HG1 ILE 35 -12.272 1.952 -3.565 278 HG21 ILE 35 1HG2 ILE 35 -10.284 1.948 -6.887 279 HG22 ILE 35 2HG2 ILE 35 -9.909 0.552 -5.877 280 HG23 ILE 35 3HG2 ILE 35 -8.788 1.911 -5.953 281 HD11 ILE 35 3HD1 ILE 35 -13.702 2.214 -5.235 282 HD12 ILE 35 1HD1 ILE 35 -13.230 0.605 -5.782 283 HD13 ILE 35 2HD1 ILE 35 -12.432 2.033 -6.445 284 H GLU 36 H GLU 36 -7.704 0.920 -4.407 285 HA GLU 36 HA GLU 36 -8.583 -1.621 -3.478 286 HB2 GLU 36 2HB GLU 36 -5.868 -0.727 -4.465 287 HB3 GLU 36 1HB GLU 36 -6.341 -2.400 -4.196 288 HG2 GLU 36 2HG GLU 36 -8.257 -1.875 -5.849 289 HG3 GLU 36 1HG GLU 36 -7.258 -0.495 -6.306 290 H LEU 37 H LEU 37 -6.378 0.817 -2.242 291 HA LEU 37 HA LEU 37 -5.237 -0.781 -0.193 292 HB2 LEU 37 2HB LEU 37 -4.214 1.297 -1.056 293 HB3 LEU 37 1HB LEU 37 -5.517 2.221 -0.334 294 HG LEU 37 HG LEU 37 -4.797 1.601 1.892 295 HD11 LEU 37 1HD1 LEU 37 -2.901 -0.186 0.412 296 HD12 LEU 37 2HD1 LEU 37 -4.005 -0.582 1.731 297 HD13 LEU 37 3HD1 LEU 37 -2.553 0.365 2.052 298 HD21 LEU 37 3HD2 LEU 37 -3.132 3.118 1.980 299 HD22 LEU 37 1HD2 LEU 37 -3.531 3.349 0.277 300 HD23 LEU 37 2HD2 LEU 37 -2.183 2.308 0.734 301 H ILE 38 H ILE 38 -7.999 1.420 -0.311 302 HA ILE 38 HA ILE 38 -8.574 1.259 2.479 303 HB ILE 38 HB ILE 38 -10.481 2.020 0.264 304 HG12 ILE 38 2HG1 ILE 38 -8.839 3.953 1.884 305 HG13 ILE 38 1HG1 ILE 38 -8.217 3.267 0.387 306 HG21 ILE 38 1HG2 ILE 38 -11.911 2.748 1.844 307 HG22 ILE 38 2HG2 ILE 38 -10.620 3.291 2.916 308 HG23 ILE 38 3HG2 ILE 38 -11.059 1.584 2.860 309 HD11 ILE 38 3HD1 ILE 38 -9.263 4.861 -0.724 310 HD12 ILE 38 1HD1 ILE 38 -9.996 5.461 0.764 311 HD13 ILE 38 2HD1 ILE 38 -10.805 4.206 -0.174 312 H LYS 39 H LYS 39 -9.521 -0.568 -0.351 313 HA LYS 39 HA LYS 39 -11.725 -1.925 0.785 314 HB2 LYS 39 2HB LYS 39 -9.947 -2.372 -1.575 315 HB3 LYS 39 1HB LYS 39 -11.004 -3.677 -1.055 316 HG2 LYS 39 2HG LYS 39 -12.891 -1.963 -1.168 317 HG3 LYS 39 1HG LYS 39 -11.752 -0.955 -2.063 318 HD2 LYS 39 2HD LYS 39 -12.391 -3.789 -2.849 319 HD3 LYS 39 1HD LYS 39 -13.301 -2.402 -3.451 320 HE2 LYS 39 2HE LYS 39 -11.401 -1.512 -4.543 321 HE3 LYS 39 1HE LYS 39 -10.310 -2.609 -3.698 322 HZ1 LYS 39 3HZ LYS 39 -12.342 -3.398 -5.717 323 HZ2 LYS 39 1HZ LYS 39 -11.305 -4.457 -4.901 324 HZ3 LYS 39 2HZ LYS 39 -10.671 -3.313 -5.973 325 H PHE 40 H PHE 40 -8.284 -2.738 0.539 326 HA PHE 40 HA PHE 40 -8.474 -5.300 1.704 327 HB2 PHE 40 2HB PHE 40 -6.518 -4.230 0.392 328 HB3 PHE 40 1HB PHE 40 -6.039 -3.551 1.944 329 HD1 PHE 40 1HD PHE 40 -6.646 -6.713 0.131 330 HD2 PHE 40 2HD PHE 40 -4.916 -4.854 3.547 331 HE1 PHE 40 1HE PHE 40 -5.491 -8.815 0.685 332 HE2 PHE 40 2HE PHE 40 -3.757 -6.950 4.106 333 HZ PHE 40 HZ PHE 40 -4.042 -8.935 2.674 334 H ALA 41 H ALA 41 -8.192 -2.086 3.054 335 HA ALA 41 HA ALA 41 -7.673 -3.048 5.731 336 HB1 ALA 41 1HB ALA 41 -8.270 -0.283 4.687 337 HB2 ALA 41 2HB ALA 41 -6.683 -0.953 5.068 338 HB3 ALA 41 3HB ALA 41 -7.850 -0.660 6.358 339 H LYS 42 H LYS 42 -10.411 -1.922 3.852 340 HA LYS 42 HA LYS 42 -12.238 -1.507 5.934 341 HB2 LYS 42 2HB LYS 42 -12.327 -1.771 3.038 342 HB3 LYS 42 1HB LYS 42 -13.748 -2.471 3.801 343 HG2 LYS 42 2HG LYS 42 -14.463 -0.455 4.638 344 HG3 LYS 42 1HG LYS 42 -12.844 0.246 4.627 345 HD2 LYS 42 2HD LYS 42 -12.894 0.581 2.293 346 HD3 LYS 42 1HD LYS 42 -14.297 -0.471 2.094 347 HE2 LYS 42 2HE LYS 42 -14.891 1.677 3.917 348 HE3 LYS 42 1HE LYS 42 -14.278 2.314 2.391 349 HZ1 LYS 42 3HZ LYS 42 -15.949 0.819 1.286 350 HZ2 LYS 42 1HZ LYS 42 -16.597 2.118 2.156 351 HZ3 LYS 42 2HZ LYS 42 -16.628 0.561 2.813 352 H SER 43 H SER 43 -11.609 -4.414 3.982 353 HA SER 43 HA SER 43 -13.520 -6.070 5.179 354 HB2 SER 43 2HB SER 43 -11.672 -7.881 4.474 355 HB3 SER 43 1HB SER 43 -12.698 -7.071 3.290 356 HG SER 43 HG SER 43 -10.848 -6.514 2.453 357 H ARG 44 H ARG 44 -10.302 -5.152 6.183 358 HA ARG 44 HA ARG 44 -10.247 -7.107 8.328 359 HB2 ARG 44 2HB ARG 44 -8.329 -5.135 7.189 360 HB3 ARG 44 1HB ARG 44 -8.107 -5.615 8.866 361 HG2 ARG 44 2HG ARG 44 -6.745 -7.030 7.548 362 HG3 ARG 44 1HG ARG 44 -8.120 -7.998 8.089 363 HD2 ARG 44 2HD ARG 44 -8.949 -6.877 5.682 364 HD3 ARG 44 1HD ARG 44 -7.268 -7.329 5.405 365 HE ARG 44 HE ARG 44 -8.453 -9.497 6.632 366 HH11 ARG 44 1HH1 ARG 44 -8.904 -7.685 3.684 367 HH12 ARG 44 2HH1 ARG 44 -9.520 -9.039 2.798 368 HH21 ARG 44 1HH2 ARG 44 -9.264 -11.279 5.469 369 HH22 ARG 44 2HH2 ARG 44 -9.726 -11.080 3.811 370 H GLU 45 H GLU 45 -11.216 -3.842 7.842 371 HA GLU 45 HA GLU 45 -12.187 -2.314 9.218 372 HB2 GLU 45 2HB GLU 45 -12.884 -4.764 10.317 373 HB3 GLU 45 1HB GLU 45 -12.217 -3.879 11.681 374 HG2 GLU 45 2HG GLU 45 -14.309 -3.109 11.883 375 HG3 GLU 45 1HG GLU 45 -13.814 -1.989 10.616 376 H THR 46 H THR 46 -9.409 -2.316 8.936 377 HA THR 46 HA THR 46 -8.588 -1.253 11.559 378 HB THR 46 HB THR 46 -7.397 -3.347 11.204 379 HG1 THR 46 1HG THR 46 -5.245 -2.447 11.276 380 HG21 THR 46 3HG2 THR 46 -7.498 -2.736 8.533 381 HG22 THR 46 1HG2 THR 46 -6.514 -4.013 9.249 382 HG23 THR 46 2HG2 THR 46 -5.806 -2.432 8.924 383 H PHE 47 H PHE 47 -7.927 0.798 11.518 384 HA PHE 47 HA PHE 47 -7.536 2.078 8.915 385 HB2 PHE 47 2HB PHE 47 -7.856 4.194 10.118 386 HB3 PHE 47 1HB PHE 47 -9.197 3.090 10.406 387 HD1 PHE 47 2HD PHE 47 -9.518 2.062 12.581 388 HD2 PHE 47 1HD PHE 47 -6.339 4.804 11.881 389 HE1 PHE 47 2HE PHE 47 -9.199 2.308 15.009 390 HE2 PHE 47 1HE PHE 47 -6.015 5.054 14.309 391 HZ PHE 47 HZ PHE 47 -7.447 3.805 15.874 392 H ILE 48 H ILE 48 -5.482 0.404 10.167 393 HA ILE 48 HA ILE 48 -3.340 2.411 10.232 394 HB ILE 48 HB ILE 48 -3.383 0.021 12.071 395 HG12 ILE 48 2HG1 ILE 48 -3.501 2.290 13.654 396 HG13 ILE 48 1HG1 ILE 48 -4.619 2.658 12.344 397 HG21 ILE 48 1HG2 ILE 48 -1.637 1.790 13.133 398 HG22 ILE 48 2HG2 ILE 48 -1.440 2.128 11.412 399 HG23 ILE 48 3HG2 ILE 48 -1.184 0.494 12.025 400 HD11 ILE 48 3HD1 ILE 48 -6.158 1.417 13.321 401 HD12 ILE 48 1HD1 ILE 48 -5.029 1.030 14.619 402 HD13 ILE 48 2HD1 ILE 48 -5.114 0.002 13.187 403 H ILE 49 H ILE 49 -2.881 1.840 8.075 404 HA ILE 49 HA ILE 49 -2.372 -0.833 7.255 405 HB ILE 49 HB ILE 49 -1.361 1.696 5.951 406 HG12 ILE 49 2HG1 ILE 49 -3.853 0.275 5.096 407 HG13 ILE 49 1HG1 ILE 49 -3.931 1.399 6.448 408 HG21 ILE 49 1HG2 ILE 49 -1.645 0.185 3.891 409 HG22 ILE 49 2HG2 ILE 49 -1.666 -1.145 5.050 410 HG23 ILE 49 3HG2 ILE 49 -0.257 -0.089 4.943 411 HD11 ILE 49 3HD1 ILE 49 -3.582 3.218 5.135 412 HD12 ILE 49 1HD1 ILE 49 -4.382 2.163 3.970 413 HD13 ILE 49 2HD1 ILE 49 -2.626 2.322 3.954 414 H ASP 50 H ASP 50 -0.881 -1.796 8.612 415 HA ASP 50 HA ASP 50 1.752 -0.554 8.886 416 HB2 ASP 50 2HB ASP 50 0.710 -3.082 10.178 417 HB3 ASP 50 1HB ASP 50 2.185 -2.215 10.597 418 H ASP 51 H ASP 51 3.452 -2.607 9.100 419 HA ASP 51 HA ASP 51 4.017 -3.301 6.443 420 HB2 ASP 51 2HB ASP 51 5.698 -3.175 8.281 421 HB3 ASP 51 1HB ASP 51 5.038 -4.669 8.941 422 H GLU 52 H GLU 52 2.215 -4.947 8.943 423 HA GLU 52 HA GLU 52 2.152 -7.507 7.729 424 HB2 GLU 52 2HB GLU 52 0.256 -7.940 9.257 425 HB3 GLU 52 1HB GLU 52 1.645 -7.246 10.082 426 HG2 GLU 52 2HG GLU 52 0.256 -5.011 9.470 427 HG3 GLU 52 1HG GLU 52 -1.056 -6.169 9.685 428 H ILE 53 H ILE 53 0.077 -4.666 7.507 429 HA ILE 53 HA ILE 53 -1.901 -5.974 5.885 430 HB ILE 53 HB ILE 53 -1.498 -3.003 6.206 431 HG12 ILE 53 2HG1 ILE 53 -1.633 -4.114 8.413 432 HG13 ILE 53 1HG1 ILE 53 -3.039 -3.102 8.091 433 HG21 ILE 53 1HG2 ILE 53 -3.009 -3.719 4.406 434 HG22 ILE 53 2HG2 ILE 53 -3.862 -2.864 5.690 435 HG23 ILE 53 3HG2 ILE 53 -3.964 -4.621 5.583 436 HD11 ILE 53 3HD1 ILE 53 -3.978 -4.998 8.993 437 HD12 ILE 53 1HD1 ILE 53 -2.831 -6.074 8.195 438 HD13 ILE 53 2HD1 ILE 53 -4.116 -5.305 7.262 439 H ALA 54 H ALA 54 0.791 -3.749 5.302 440 HA ALA 54 HA ALA 54 0.319 -3.371 2.546 441 HB1 ALA 54 1HB ALA 54 2.546 -2.850 4.417 442 HB2 ALA 54 2HB ALA 54 1.759 -1.778 3.259 443 HB3 ALA 54 3HB ALA 54 2.959 -2.946 2.706 444 H ASN 55 H ASN 55 2.376 -5.663 4.309 445 HA ASN 55 HA ASN 55 3.581 -6.868 2.087 446 HB2 ASN 55 2HB ASN 55 4.345 -7.177 4.422 447 HB3 ASN 55 1HB ASN 55 2.908 -8.143 4.747 448 HD21 ASN 55 1HD2 ASN 55 6.047 -8.071 3.369 449 HD22 ASN 55 2HD2 ASN 55 6.129 -9.736 2.919 450 H GLU 56 H GLU 56 0.799 -8.024 4.000 451 HA GLU 56 HA GLU 56 0.155 -10.175 2.323 452 HB2 GLU 56 2HB GLU 56 -0.835 -9.080 4.701 453 HB3 GLU 56 1HB GLU 56 -2.190 -9.027 3.582 454 HG2 GLU 56 2HG GLU 56 -2.324 -11.301 3.414 455 HG3 GLU 56 1HG GLU 56 -0.618 -11.540 3.785 456 H PHE 57 H PHE 57 -0.633 -6.780 2.145 457 HA PHE 57 HA PHE 57 -2.779 -6.914 0.336 458 HB2 PHE 57 2HB PHE 57 -2.224 -4.876 1.583 459 HB3 PHE 57 1HB PHE 57 -0.714 -4.730 0.692 460 HD1 PHE 57 1HD PHE 57 -4.329 -5.209 -0.126 461 HD2 PHE 57 2HD PHE 57 -0.708 -3.124 -0.933 462 HE1 PHE 57 1HE PHE 57 -5.480 -3.881 -1.849 463 HE2 PHE 57 2HE PHE 57 -1.852 -1.792 -2.655 464 HZ PHE 57 HZ PHE 57 -4.242 -2.169 -3.115 465 H LEU 58 H LEU 58 0.645 -6.156 -0.336 466 HA LEU 58 HA LEU 58 0.471 -6.152 -3.109 467 HB2 LEU 58 2HB LEU 58 2.830 -7.032 -1.443 468 HB3 LEU 58 1HB LEU 58 2.885 -6.507 -3.116 469 HG LEU 58 HG LEU 58 2.189 -4.800 -0.725 470 HD11 LEU 58 1HD1 LEU 58 4.465 -4.375 -2.621 471 HD12 LEU 58 2HD1 LEU 58 4.622 -5.485 -1.258 472 HD13 LEU 58 3HD1 LEU 58 4.256 -3.783 -0.973 473 HD21 LEU 58 3HD2 LEU 58 2.487 -3.047 -2.725 474 HD22 LEU 58 1HD2 LEU 58 0.927 -3.727 -2.266 475 HD23 LEU 58 2HD2 LEU 58 1.816 -4.404 -3.629 476 H LYS 59 H LYS 59 0.859 -8.835 -0.875 477 HA LYS 59 HA LYS 59 1.385 -10.775 -2.919 478 HB2 LYS 59 2HB LYS 59 1.297 -10.706 -0.036 479 HB3 LYS 59 1HB LYS 59 0.406 -12.098 -0.635 480 HG2 LYS 59 2HG LYS 59 2.605 -12.310 -2.144 481 HG3 LYS 59 1HG LYS 59 3.293 -11.506 -0.732 482 HD2 LYS 59 2HD LYS 59 3.514 -13.695 -0.097 483 HD3 LYS 59 1HD LYS 59 1.917 -13.343 0.564 484 HE2 LYS 59 2HE LYS 59 0.836 -14.602 -1.011 485 HE3 LYS 59 1HE LYS 59 2.087 -14.349 -2.228 486 HZ1 LYS 59 3HZ LYS 59 1.886 -16.389 -0.171 487 HZ2 LYS 59 1HZ LYS 59 3.436 -15.759 -0.425 488 HZ3 LYS 59 2HZ LYS 59 2.590 -16.465 -1.707 489 H SER 60 H SER 60 -1.448 -9.459 -1.389 490 HA SER 60 HA SER 60 -3.225 -11.542 -2.243 491 HB2 SER 60 2HB SER 60 -4.981 -10.196 -1.336 492 HB3 SER 60 1HB SER 60 -3.600 -10.023 -0.252 493 HG SER 60 HG SER 60 -4.455 -8.197 -2.248 494 H ILE 61 H ILE 61 -2.011 -8.579 -3.595 495 HA ILE 61 HA ILE 61 -3.990 -8.648 -5.751 496 HB ILE 61 HB ILE 61 -2.937 -6.505 -6.472 497 HG12 ILE 61 2HG1 ILE 61 -1.595 -6.228 -3.840 498 HG13 ILE 61 1HG1 ILE 61 -0.791 -7.254 -5.023 499 HG21 ILE 61 1HG2 ILE 61 -4.814 -6.926 -4.608 500 HG22 ILE 61 2HG2 ILE 61 -4.291 -5.315 -5.105 501 HG23 ILE 61 3HG2 ILE 61 -3.634 -6.043 -3.640 502 HD11 ILE 61 3HD1 ILE 61 -1.626 -4.406 -5.510 503 HD12 ILE 61 1HD1 ILE 61 -0.691 -5.437 -6.595 504 HD13 ILE 61 2HD1 ILE 61 -0.003 -4.925 -5.055 505 H GLY 62 H GLY 62 -1.820 -10.654 -5.456 506 HA2 GLY 62 2HA GLY 62 -0.292 -11.754 -6.769 507 HA3 GLY 62 1HA GLY 62 -1.145 -11.021 -8.118 508 H ALA 63 H ALA 63 0.426 -9.035 -5.733 509 HA ALA 63 HA ALA 63 2.399 -8.256 -7.772 510 HB1 ALA 63 1HB ALA 63 2.605 -6.199 -6.211 511 HB2 ALA 63 2HB ALA 63 1.065 -6.754 -5.556 512 HB3 ALA 63 3HB ALA 63 1.199 -6.341 -7.264 513 H GLU 64 H GLU 64 3.394 -10.381 -6.862 514 HA GLU 64 HA GLU 64 4.831 -10.008 -4.365 515 HB2 GLU 64 2HB GLU 64 3.791 -12.221 -5.507 516 HB3 GLU 64 1HB GLU 64 5.442 -12.330 -6.103 517 HG2 GLU 64 2HG GLU 64 6.108 -11.962 -3.636 518 HG3 GLU 64 1HG GLU 64 4.442 -12.423 -3.289 519 H VAL 65 H VAL 65 5.714 -8.038 -5.809 520 HA VAL 65 HA VAL 65 8.360 -8.916 -6.755 521 HB VAL 65 HB VAL 65 6.819 -6.617 -7.961 522 HG11 VAL 65 1HG1 VAL 65 8.614 -6.213 -9.265 523 HG12 VAL 65 2HG1 VAL 65 9.035 -7.919 -9.398 524 HG13 VAL 65 3HG1 VAL 65 9.486 -7.011 -7.956 525 HG21 VAL 65 3HG2 VAL 65 5.839 -8.936 -8.361 526 HG22 VAL 65 1HG2 VAL 65 7.305 -9.271 -9.282 527 HG23 VAL 65 2HG2 VAL 65 6.225 -7.971 -9.787 528 H GLU 66 H GLU 66 9.832 -8.173 -5.383 529 HA GLU 66 HA GLU 66 9.380 -5.564 -4.098 530 HB2 GLU 66 2HB GLU 66 10.696 -8.083 -3.206 531 HB3 GLU 66 1HB GLU 66 11.349 -6.564 -2.609 532 HG2 GLU 66 2HG GLU 66 9.565 -6.154 -1.294 533 HG3 GLU 66 1HG GLU 66 8.425 -6.875 -2.430 534 H LEU 67 H LEU 67 10.225 -5.238 -6.579 535 HA LEU 67 HA LEU 67 13.145 -4.923 -6.461 536 HB2 LEU 67 2HB LEU 67 11.232 -5.515 -8.604 537 HB3 LEU 67 1HB LEU 67 12.435 -4.314 -9.035 538 HG LEU 67 HG LEU 67 14.192 -5.973 -8.267 539 HD11 LEU 67 1HD1 LEU 67 13.676 -8.075 -7.638 540 HD12 LEU 67 2HD1 LEU 67 12.284 -8.173 -8.716 541 HD13 LEU 67 3HD1 LEU 67 12.146 -7.331 -7.173 542 HD21 LEU 67 3HD2 LEU 67 12.469 -6.169 -10.667 543 HD22 LEU 67 1HD2 LEU 67 13.600 -7.491 -10.375 544 HD23 LEU 67 2HD2 LEU 67 14.196 -5.838 -10.532 545 HA PRO 68 HA PRO 68 11.782 -0.603 -5.809 546 HB2 PRO 68 2HB PRO 68 14.099 0.206 -4.645 547 HB3 PRO 68 1HB PRO 68 12.812 -0.618 -3.755 548 HG2 PRO 68 2HG PRO 68 15.347 -1.736 -4.889 549 HG3 PRO 68 1HG PRO 68 14.591 -2.049 -3.316 550 HD2 PRO 68 2HD PRO 68 14.368 -3.757 -5.401 551 HD3 PRO 68 1HD PRO 68 13.079 -3.549 -4.198 552 H GLN 69 H GLN 69 11.880 0.778 -7.452 553 HA GLN 69 HA GLN 69 14.414 1.508 -8.632 554 HB2 GLN 69 2HB GLN 69 13.226 -0.578 -9.836 555 HB3 GLN 69 1HB GLN 69 12.385 0.731 -10.654 556 HG2 GLN 69 2HG GLN 69 15.209 1.253 -10.568 557 HG3 GLN 69 1HG GLN 69 14.891 -0.335 -11.264 558 HE21 GLN 69 1HE2 GLN 69 15.727 0.581 -13.233 559 HE22 GLN 69 2HE2 GLN 69 14.697 1.528 -14.245 560 H GLU 70 H GLU 70 14.253 3.646 -8.386 561 HA GLU 70 HA GLU 70 11.759 5.043 -8.530 562 HB2 GLU 70 2HB GLU 70 14.608 6.044 -8.391 563 HB3 GLU 70 1HB GLU 70 13.190 7.078 -8.293 564 HG2 GLU 70 2HG GLU 70 13.266 4.821 -6.406 565 HG3 GLU 70 1HG GLU 70 14.473 6.082 -6.157 566 H ILE 71 H ILE 71 10.869 4.830 -10.552 567 HA ILE 71 HA ILE 71 12.280 5.136 -12.977 568 HB ILE 71 HB ILE 71 10.115 3.983 -12.845 569 HG12 ILE 71 2HG1 ILE 71 9.427 6.204 -14.664 570 HG13 ILE 71 1HG1 ILE 71 11.039 5.529 -14.890 571 HG21 ILE 71 1HG2 ILE 71 9.037 6.740 -12.289 572 HG22 ILE 71 2HG2 ILE 71 8.950 5.322 -11.246 573 HG23 ILE 71 3HG2 ILE 71 8.038 5.363 -12.754 574 HD11 ILE 71 3HD1 ILE 71 10.197 3.413 -15.420 575 HD12 ILE 71 1HD1 ILE 71 9.151 4.548 -16.272 576 HD13 ILE 71 2HD1 ILE 71 8.599 3.794 -14.777 577 H LYS 72 H LYS 72 10.697 7.405 -10.840 578 HA LYS 72 HA LYS 72 11.872 9.607 -12.338 579 HB2 LYS 72 2HB LYS 72 9.404 9.085 -13.058 580 HB3 LYS 72 1HB LYS 72 8.997 9.884 -11.547 581 HG2 LYS 72 2HG LYS 72 9.200 11.855 -12.522 582 HG3 LYS 72 1HG LYS 72 10.886 11.504 -12.905 583 HD2 LYS 72 2HD LYS 72 10.178 10.380 -14.965 584 HD3 LYS 72 1HD LYS 72 8.495 10.737 -14.579 585 HE2 LYS 72 2HE LYS 72 9.333 13.201 -14.467 586 HE3 LYS 72 1HE LYS 72 10.684 12.590 -15.421 587 HZ1 LYS 72 3HZ LYS 72 8.636 11.571 -16.770 588 HZ2 LYS 72 1HZ LYS 72 9.311 13.085 -17.114 589 HZ3 LYS 72 2HZ LYS 72 7.907 12.978 -16.176 Start of MODEL 16 1 H MET 1 H MET 1 5.418 15.655 -3.274 2 HA MET 1 HA MET 1 3.278 16.446 -3.148 3 HB2 MET 1 2HB MET 1 3.170 15.316 -5.830 4 HB3 MET 1 1HB MET 1 1.735 14.918 -4.893 5 HG2 MET 1 2HG MET 1 0.951 16.894 -5.524 6 HG3 MET 1 1HG MET 1 2.086 17.589 -4.368 7 HE1 MET 1 2HE MET 1 0.938 16.860 -7.644 8 HE2 MET 1 3HE MET 1 2.261 17.080 -8.789 9 HE3 MET 1 1HE MET 1 1.284 18.463 -8.292 10 H ASP 2 H ASP 2 2.636 15.554 -1.305 11 HA ASP 2 HA ASP 2 2.756 12.684 -0.926 12 HB2 ASP 2 2HB ASP 2 2.324 15.049 0.856 13 HB3 ASP 2 1HB ASP 2 1.815 13.458 1.412 14 H GLU 3 H GLU 3 1.008 12.710 -2.757 15 HA GLU 3 HA GLU 3 -1.675 13.289 -1.936 16 HB2 GLU 3 2HB GLU 3 -0.617 11.706 -4.285 17 HB3 GLU 3 1HB GLU 3 -2.303 12.150 -4.055 18 HG2 GLU 3 2HG GLU 3 -1.402 14.570 -3.945 19 HG3 GLU 3 1HG GLU 3 0.034 13.891 -4.710 20 H PHE 4 H PHE 4 0.420 10.508 -1.859 21 HA PHE 4 HA PHE 4 -1.599 8.548 -1.464 22 HB2 PHE 4 2HB PHE 4 0.767 8.101 -2.215 23 HB3 PHE 4 1HB PHE 4 1.280 8.394 -0.556 24 HD1 PHE 4 2HD PHE 4 -1.570 6.503 -2.049 25 HD2 PHE 4 1HD PHE 4 1.881 6.419 0.440 26 HE1 PHE 4 2HE PHE 4 -2.029 4.148 -1.496 27 HE2 PHE 4 1HE PHE 4 1.430 4.067 0.997 28 HZ PHE 4 HZ PHE 4 -0.528 2.927 0.029 29 H VAL 5 H VAL 5 0.725 9.984 0.834 30 HA VAL 5 HA VAL 5 -0.396 8.884 3.147 31 HB VAL 5 HB VAL 5 1.026 11.543 2.991 32 HG11 VAL 5 1HG1 VAL 5 1.649 11.143 5.259 33 HG12 VAL 5 2HG1 VAL 5 0.980 9.513 5.216 34 HG13 VAL 5 3HG1 VAL 5 -0.094 10.911 5.137 35 HG21 VAL 5 3HG2 VAL 5 2.014 8.774 2.650 36 HG22 VAL 5 1HG2 VAL 5 2.979 9.846 3.665 37 HG23 VAL 5 2HG2 VAL 5 2.633 10.290 1.994 38 H LYS 6 H LYS 6 -0.930 12.064 1.647 39 HA LYS 6 HA LYS 6 -2.859 12.891 3.575 40 HB2 LYS 6 2HB LYS 6 -1.429 14.364 2.037 41 HB3 LYS 6 1HB LYS 6 -2.608 13.998 0.785 42 HG2 LYS 6 2HG LYS 6 -4.376 14.970 2.152 43 HG3 LYS 6 1HG LYS 6 -3.204 15.321 3.424 44 HD2 LYS 6 2HD LYS 6 -2.350 17.102 2.325 45 HD3 LYS 6 1HD LYS 6 -2.518 16.336 0.744 46 HE2 LYS 6 2HE LYS 6 -4.611 17.151 0.419 47 HE3 LYS 6 1HE LYS 6 -5.020 17.077 2.133 48 HZ1 LYS 6 3HZ LYS 6 -3.812 19.233 0.607 49 HZ2 LYS 6 1HZ LYS 6 -3.174 18.986 2.155 50 HZ3 LYS 6 2HZ LYS 6 -4.824 19.299 1.960 51 H GLY 7 H GLY 7 -3.023 11.338 0.420 52 HA2 GLY 7 2HA GLY 7 -5.766 11.609 -0.063 53 HA3 GLY 7 1HA GLY 7 -4.753 10.314 -0.684 54 H LEU 8 H LEU 8 -4.016 9.298 1.927 55 HA LEU 8 HA LEU 8 -6.386 7.707 2.404 56 HB2 LEU 8 2HB LEU 8 -3.610 7.586 3.582 57 HB3 LEU 8 1HB LEU 8 -4.894 6.454 3.966 58 HG LEU 8 HG LEU 8 -3.993 6.843 1.130 59 HD11 LEU 8 1HD1 LEU 8 -2.573 5.480 3.334 60 HD12 LEU 8 2HD1 LEU 8 -1.949 6.198 1.848 61 HD13 LEU 8 3HD1 LEU 8 -2.701 4.603 1.808 62 HD21 LEU 8 3HD2 LEU 8 -6.118 5.609 1.786 63 HD22 LEU 8 1HD2 LEU 8 -5.062 4.382 2.483 64 HD23 LEU 8 2HD2 LEU 8 -4.979 4.740 0.758 65 H MET 9 H MET 9 -4.475 10.137 4.073 66 HA MET 9 HA MET 9 -5.569 9.899 6.631 67 HB2 MET 9 2HB MET 9 -3.763 11.602 5.346 68 HB3 MET 9 1HB MET 9 -5.039 12.663 5.926 69 HG2 MET 9 2HG MET 9 -4.373 12.481 8.034 70 HG3 MET 9 1HG MET 9 -4.235 10.727 7.927 71 HE1 MET 9 3HE MET 9 -2.436 9.443 7.540 72 HE2 MET 9 1HE MET 9 -0.735 9.910 7.582 73 HE3 MET 9 2HE MET 9 -1.624 9.953 6.060 74 H LYS 10 H LYS 10 -6.826 11.380 3.735 75 HA LYS 10 HA LYS 10 -8.816 12.992 4.906 76 HB2 LYS 10 2HB LYS 10 -8.688 11.675 2.189 77 HB3 LYS 10 1HB LYS 10 -9.911 12.849 2.655 78 HG2 LYS 10 2HG LYS 10 -6.993 13.495 2.840 79 HG3 LYS 10 1HG LYS 10 -7.883 13.668 1.326 80 HD2 LYS 10 2HD LYS 10 -9.062 14.871 3.774 81 HD3 LYS 10 1HD LYS 10 -7.654 15.664 3.064 82 HE2 LYS 10 2HE LYS 10 -9.107 15.269 0.847 83 HE3 LYS 10 1HE LYS 10 -10.411 15.389 2.028 84 HZ1 LYS 10 3HZ LYS 10 -8.915 17.469 2.733 85 HZ2 LYS 10 1HZ LYS 10 -10.176 17.573 1.608 86 HZ3 LYS 10 2HZ LYS 10 -8.577 17.430 1.076 87 H ASN 11 H ASN 11 -8.682 9.586 4.146 88 HA ASN 11 HA ASN 11 -11.503 9.265 4.875 89 HB2 ASN 11 2HB ASN 11 -9.535 7.353 3.608 90 HB3 ASN 11 1HB ASN 11 -11.178 6.915 4.059 91 HD21 ASN 11 1HD2 ASN 11 -12.604 7.022 2.495 92 HD22 ASN 11 2HD2 ASN 11 -12.515 8.035 1.097 93 H GLY 12 H GLY 12 -9.330 9.860 6.806 94 HA2 GLY 12 2HA GLY 12 -8.702 9.214 8.915 95 HA3 GLY 12 1HA GLY 12 -10.138 8.205 8.906 96 H TYR 13 H TYR 13 -7.152 8.068 6.977 97 HA TYR 13 HA TYR 13 -6.664 5.388 8.096 98 HB2 TYR 13 2HB TYR 13 -6.653 6.286 5.233 99 HB3 TYR 13 1HB TYR 13 -5.651 4.931 5.739 100 HD1 TYR 13 1HD TYR 13 -6.695 2.857 6.560 101 HD2 TYR 13 2HD TYR 13 -9.039 6.081 5.073 102 HE1 TYR 13 1HE TYR 13 -8.626 1.347 6.346 103 HE2 TYR 13 2HE TYR 13 -10.977 4.582 4.860 104 HH TYR 13 HH TYR 13 -10.797 1.337 4.840 105 H LEU 14 H LEU 14 -4.656 5.014 8.815 106 HA LEU 14 HA LEU 14 -2.620 7.074 8.284 107 HB2 LEU 14 2HB LEU 14 -2.781 5.168 10.619 108 HB3 LEU 14 1HB LEU 14 -1.609 6.455 10.405 109 HG LEU 14 HG LEU 14 -4.579 6.888 10.736 110 HD11 LEU 14 1HD1 LEU 14 -2.969 5.998 12.692 111 HD12 LEU 14 2HD1 LEU 14 -4.316 7.103 12.966 112 HD13 LEU 14 3HD1 LEU 14 -2.675 7.733 12.824 113 HD21 LEU 14 3HD2 LEU 14 -2.267 8.648 10.189 114 HD22 LEU 14 1HD2 LEU 14 -3.441 9.223 11.373 115 HD23 LEU 14 2HD2 LEU 14 -3.963 8.824 9.736 116 H ILE 15 H ILE 15 -0.319 6.174 8.566 117 HA ILE 15 HA ILE 15 0.082 3.424 7.827 118 HB ILE 15 HB ILE 15 -0.518 4.377 5.646 119 HG12 ILE 15 2HG1 ILE 15 2.439 3.763 5.822 120 HG13 ILE 15 1HG1 ILE 15 1.165 2.547 5.838 121 HG21 ILE 15 1HG2 ILE 15 0.416 6.233 4.717 122 HG22 ILE 15 2HG2 ILE 15 1.955 6.012 5.548 123 HG23 ILE 15 3HG2 ILE 15 0.569 6.667 6.421 124 HD11 ILE 15 3HD1 ILE 15 2.360 2.987 3.637 125 HD12 ILE 15 1HD1 ILE 15 1.450 4.497 3.582 126 HD13 ILE 15 2HD1 ILE 15 0.596 2.955 3.611 127 H THR 16 H THR 16 2.125 2.734 8.288 128 HA THR 16 HA THR 16 3.814 4.569 9.745 129 HB THR 16 HB THR 16 5.186 2.612 10.265 130 HG1 THR 16 1HG THR 16 3.376 1.197 8.572 131 HG21 THR 16 3HG2 THR 16 2.241 2.565 10.667 132 HG22 THR 16 1HG2 THR 16 3.541 2.705 11.851 133 HG23 THR 16 2HG2 THR 16 3.161 1.136 11.140 134 HA PRO 17 HA PRO 17 6.685 5.762 6.624 135 HB2 PRO 17 2HB PRO 17 8.801 4.978 8.572 136 HB3 PRO 17 1HB PRO 17 8.578 6.502 7.704 137 HG2 PRO 17 2HG PRO 17 7.965 6.312 10.286 138 HG3 PRO 17 1HG PRO 17 6.955 7.258 9.178 139 HD2 PRO 17 2HD PRO 17 6.461 4.565 10.365 140 HD3 PRO 17 1HD PRO 17 5.312 5.868 9.999 141 H SER 18 H SER 18 7.127 2.706 8.297 142 HA SER 18 HA SER 18 9.034 1.602 6.514 143 HB2 SER 18 2HB SER 18 7.215 0.505 8.622 144 HB3 SER 18 1HB SER 18 8.006 -0.614 7.511 145 HG SER 18 HG SER 18 10.009 0.465 8.134 146 H ALA 19 H ALA 19 5.504 1.489 6.659 147 HA ALA 19 HA ALA 19 5.291 -0.261 4.384 148 HB1 ALA 19 1HB ALA 19 3.103 -0.434 4.910 149 HB2 ALA 19 2HB ALA 19 2.928 1.297 5.208 150 HB3 ALA 19 3HB ALA 19 3.636 0.257 6.443 151 H TYR 20 H TYR 20 5.092 3.192 4.987 152 HA TYR 20 HA TYR 20 3.980 3.984 2.535 153 HB2 TYR 20 2HB TYR 20 4.130 5.503 4.438 154 HB3 TYR 20 1HB TYR 20 5.889 5.468 4.354 155 HD1 TYR 20 2HD TYR 20 3.005 6.177 2.073 156 HD2 TYR 20 1HD TYR 20 6.900 7.289 3.375 157 HE1 TYR 20 2HE TYR 20 2.964 8.098 0.537 158 HE2 TYR 20 1HE TYR 20 6.869 9.212 1.844 159 HH TYR 20 HH TYR 20 4.065 10.319 0.337 160 H TYR 21 H TYR 21 7.358 3.572 3.533 161 HA TYR 21 HA TYR 21 8.562 4.477 1.176 162 HB2 TYR 21 2HB TYR 21 9.422 2.642 3.383 163 HB3 TYR 21 1HB TYR 21 10.433 2.814 1.953 164 HD1 TYR 21 1HD TYR 21 10.397 5.570 1.271 165 HD2 TYR 21 2HD TYR 21 10.316 3.822 5.148 166 HE1 TYR 21 1HE TYR 21 11.382 7.619 2.208 167 HE2 TYR 21 2HE TYR 21 11.300 5.866 6.097 168 HH TYR 21 HH TYR 21 12.896 7.886 4.859 169 H LEU 22 H LEU 22 7.028 1.450 1.946 170 HA LEU 22 HA LEU 22 8.059 0.179 -0.468 171 HB2 LEU 22 2HB LEU 22 6.291 -0.833 1.759 172 HB3 LEU 22 1HB LEU 22 6.733 -1.788 0.355 173 HG LEU 22 HG LEU 22 8.886 -0.597 2.056 174 HD11 LEU 22 1HD1 LEU 22 7.425 -1.679 3.653 175 HD12 LEU 22 2HD1 LEU 22 8.888 -2.638 3.423 176 HD13 LEU 22 3HD1 LEU 22 7.378 -3.135 2.659 177 HD21 LEU 22 3HD2 LEU 22 8.987 -1.979 -0.242 178 HD22 LEU 22 1HD2 LEU 22 9.021 -3.314 0.911 179 HD23 LEU 22 2HD2 LEU 22 10.249 -2.051 0.990 180 H LEU 23 H LEU 23 5.068 1.463 0.858 181 HA LEU 23 HA LEU 23 3.434 0.547 -1.315 182 HB2 LEU 23 2HB LEU 23 3.028 2.374 1.021 183 HB3 LEU 23 1HB LEU 23 1.846 2.340 -0.273 184 HG LEU 23 HG LEU 23 2.690 -0.095 1.294 185 HD11 LEU 23 1HD1 LEU 23 0.166 0.322 2.066 186 HD12 LEU 23 2HD1 LEU 23 0.673 1.995 1.833 187 HD13 LEU 23 3HD1 LEU 23 1.558 0.954 2.946 188 HD21 LEU 23 3HD2 LEU 23 0.388 0.389 -0.595 189 HD22 LEU 23 1HD2 LEU 23 0.690 -1.096 0.308 190 HD23 LEU 23 2HD2 LEU 23 1.827 -0.574 -0.938 191 H VAL 24 H VAL 24 5.270 3.425 -0.588 192 HA VAL 24 HA VAL 24 4.098 5.222 -2.376 193 HB VAL 24 HB VAL 24 5.743 5.901 -0.683 194 HG11 VAL 24 1HG1 VAL 24 7.229 3.861 -1.199 195 HG12 VAL 24 2HG1 VAL 24 8.008 5.382 -0.761 196 HG13 VAL 24 3HG1 VAL 24 7.936 4.882 -2.451 197 HG21 VAL 24 3HG2 VAL 24 6.567 7.677 -1.882 198 HG22 VAL 24 1HG2 VAL 24 5.303 7.109 -2.972 199 HG23 VAL 24 2HG2 VAL 24 6.987 6.683 -3.277 200 H GLY 25 H GLY 25 6.284 2.562 -2.923 201 HA2 GLY 25 2HA GLY 25 7.034 3.396 -5.577 202 HA3 GLY 25 1HA GLY 25 7.386 1.845 -4.832 203 H HIS 26 H HIS 26 4.752 1.058 -4.210 204 HA HIS 26 HA HIS 26 3.932 0.101 -6.791 205 HB2 HIS 26 2HB HIS 26 3.833 -1.013 -4.361 206 HB3 HIS 26 1HB HIS 26 2.211 -0.333 -4.406 207 HD1 HIS 26 1HD HIS 26 4.139 -2.004 -7.220 208 HD2 HIS 26 2HD HIS 26 0.675 -2.496 -4.977 209 HE1 HIS 26 1HE HIS 26 2.943 -3.961 -8.251 210 HE2 HIS 26 2HE HIS 26 0.807 -4.183 -6.933 211 H PHE 27 H PHE 27 3.138 2.802 -4.876 212 HA PHE 27 HA PHE 27 0.482 3.103 -6.037 213 HB2 PHE 27 2HB PHE 27 0.944 3.637 -3.621 214 HB3 PHE 27 1HB PHE 27 1.926 4.990 -4.171 215 HD1 PHE 27 2HD PHE 27 -1.504 3.590 -4.292 216 HD2 PHE 27 1HD PHE 27 0.951 7.045 -4.669 217 HE1 PHE 27 2HE PHE 27 -3.516 5.004 -4.392 218 HE2 PHE 27 1HE PHE 27 -1.055 8.465 -4.769 219 HZ PHE 27 HZ PHE 27 -3.292 7.445 -4.631 220 H ASN 28 H ASN 28 3.560 4.883 -5.919 221 HA ASN 28 HA ASN 28 2.821 6.935 -7.688 222 HB2 ASN 28 2HB ASN 28 4.942 6.599 -6.133 223 HB3 ASN 28 1HB ASN 28 5.648 5.974 -7.620 224 HD21 ASN 28 1HD2 ASN 28 7.029 7.920 -7.050 225 HD22 ASN 28 2HD2 ASN 28 6.571 9.419 -7.776 226 H GLU 29 H GLU 29 4.179 3.735 -8.241 227 HA GLU 29 HA GLU 29 4.835 4.014 -10.949 228 HB2 GLU 29 2HB GLU 29 4.271 1.736 -9.126 229 HB3 GLU 29 1HB GLU 29 4.198 1.413 -10.853 230 HG2 GLU 29 2HG GLU 29 6.460 2.062 -11.155 231 HG3 GLU 29 1HG GLU 29 6.557 2.710 -9.519 232 H GLY 30 H GLY 30 1.791 3.221 -9.361 233 HA2 GLY 30 2HA GLY 30 -0.297 3.863 -10.354 234 HA3 GLY 30 1HA GLY 30 0.436 3.653 -11.937 235 H LYS 31 H LYS 31 0.709 1.365 -9.279 236 HA LYS 31 HA LYS 31 -0.507 -0.671 -10.974 237 HB2 LYS 31 2HB LYS 31 1.704 -0.913 -9.623 238 HB3 LYS 31 1HB LYS 31 0.641 -1.189 -8.250 239 HG2 LYS 31 2HG LYS 31 0.586 -3.326 -8.834 240 HG3 LYS 31 1HG LYS 31 -0.349 -2.848 -10.251 241 HD2 LYS 31 2HD LYS 31 1.812 -2.473 -11.451 242 HD3 LYS 31 1HD LYS 31 2.645 -3.160 -10.054 243 HE2 LYS 31 2HE LYS 31 2.228 -4.766 -11.933 244 HE3 LYS 31 1HE LYS 31 1.596 -5.272 -10.366 245 HZ1 LYS 31 3HZ LYS 31 -0.541 -5.034 -11.046 246 HZ2 LYS 31 1HZ LYS 31 0.153 -5.386 -12.549 247 HZ3 LYS 31 2HZ LYS 31 -0.195 -3.785 -12.133 248 H PHE 32 H PHE 32 -0.767 0.309 -7.548 249 HA PHE 32 HA PHE 32 -3.543 -0.660 -7.589 250 HB2 PHE 32 2HB PHE 32 -3.390 -1.119 -5.294 251 HB3 PHE 32 1HB PHE 32 -1.824 -1.611 -5.926 252 HD1 PHE 32 1HD PHE 32 0.154 -0.127 -5.579 253 HD2 PHE 32 2HD PHE 32 -3.585 0.572 -3.671 254 HE1 PHE 32 1HE PHE 32 1.268 1.331 -3.935 255 HE2 PHE 32 2HE PHE 32 -2.479 2.030 -2.027 256 HZ PHE 32 HZ PHE 32 -0.050 2.411 -2.158 257 H SER 33 H SER 33 -5.212 0.610 -6.760 258 HA SER 33 HA SER 33 -4.598 3.482 -6.663 259 HB2 SER 33 2HB SER 33 -7.059 1.944 -7.459 260 HB3 SER 33 1HB SER 33 -7.158 3.649 -7.025 261 HG SER 33 HG SER 33 -6.801 3.677 -9.167 262 H LEU 34 H LEU 34 -6.065 4.789 -5.234 263 HA LEU 34 HA LEU 34 -5.802 3.963 -2.568 264 HB2 LEU 34 2HB LEU 34 -7.557 6.112 -3.759 265 HB3 LEU 34 1HB LEU 34 -7.244 5.921 -2.044 266 HG LEU 34 HG LEU 34 -5.084 6.443 -4.083 267 HD11 LEU 34 1HD1 LEU 34 -6.685 8.308 -3.990 268 HD12 LEU 34 2HD1 LEU 34 -5.106 8.747 -3.338 269 HD13 LEU 34 3HD1 LEU 34 -6.448 8.405 -2.245 270 HD21 LEU 34 3HD2 LEU 34 -4.800 5.409 -1.620 271 HD22 LEU 34 1HD2 LEU 34 -4.777 7.129 -1.232 272 HD23 LEU 34 2HD2 LEU 34 -3.608 6.468 -2.376 273 H ILE 35 H ILE 35 -8.501 3.784 -4.812 274 HA ILE 35 HA ILE 35 -10.536 3.130 -3.008 275 HB ILE 35 HB ILE 35 -10.957 3.720 -5.357 276 HG12 ILE 35 2HG1 ILE 35 -12.617 1.826 -5.829 277 HG13 ILE 35 1HG1 ILE 35 -12.016 1.084 -4.349 278 HG21 ILE 35 1HG2 ILE 35 -10.361 2.442 -7.168 279 HG22 ILE 35 2HG2 ILE 35 -10.266 0.955 -6.224 280 HG23 ILE 35 3HG2 ILE 35 -8.988 2.164 -6.096 281 HD11 ILE 35 3HD1 ILE 35 -13.801 3.374 -4.726 282 HD12 ILE 35 1HD1 ILE 35 -12.571 3.584 -3.481 283 HD13 ILE 35 2HD1 ILE 35 -13.688 2.222 -3.395 284 H GLU 36 H GLU 36 -8.002 1.180 -4.429 285 HA GLU 36 HA GLU 36 -9.151 -1.321 -3.572 286 HB2 GLU 36 2HB GLU 36 -6.538 -0.536 -4.838 287 HB3 GLU 36 1HB GLU 36 -6.806 -2.167 -4.237 288 HG2 GLU 36 2HG GLU 36 -8.785 -2.335 -5.716 289 HG3 GLU 36 1HG GLU 36 -8.375 -0.753 -6.378 290 H LEU 37 H LEU 37 -6.474 0.766 -2.547 291 HA LEU 37 HA LEU 37 -5.480 -0.856 -0.498 292 HB2 LEU 37 2HB LEU 37 -4.299 1.104 -1.374 293 HB3 LEU 37 1HB LEU 37 -5.516 2.157 -0.678 294 HG LEU 37 HG LEU 37 -4.841 1.534 1.565 295 HD11 LEU 37 1HD1 LEU 37 -4.229 -0.732 1.372 296 HD12 LEU 37 2HD1 LEU 37 -2.751 0.126 1.812 297 HD13 LEU 37 3HD1 LEU 37 -3.013 -0.378 0.141 298 HD21 LEU 37 3HD2 LEU 37 -2.724 2.612 1.630 299 HD22 LEU 37 1HD2 LEU 37 -3.629 3.334 0.299 300 HD23 LEU 37 2HD2 LEU 37 -2.366 2.148 -0.033 301 H ILE 38 H ILE 38 -8.019 1.612 -0.456 302 HA ILE 38 HA ILE 38 -8.481 1.489 2.343 303 HB ILE 38 HB ILE 38 -10.424 2.370 0.208 304 HG12 ILE 38 2HG1 ILE 38 -8.709 4.271 1.754 305 HG13 ILE 38 1HG1 ILE 38 -8.012 3.437 0.370 306 HG21 ILE 38 1HG2 ILE 38 -10.883 1.999 2.866 307 HG22 ILE 38 2HG2 ILE 38 -11.764 3.128 1.837 308 HG23 ILE 38 3HG2 ILE 38 -10.413 3.698 2.818 309 HD11 ILE 38 3HD1 ILE 38 -9.889 4.315 -1.009 310 HD12 ILE 38 1HD1 ILE 38 -8.815 5.553 -0.358 311 HD13 ILE 38 2HD1 ILE 38 -10.390 5.274 0.385 312 H LYS 39 H LYS 39 -9.814 -0.219 -0.427 313 HA LYS 39 HA LYS 39 -11.974 -1.441 0.939 314 HB2 LYS 39 2HB LYS 39 -11.014 -1.358 -1.694 315 HB3 LYS 39 1HB LYS 39 -10.967 -3.056 -1.239 316 HG2 LYS 39 2HG LYS 39 -13.099 -3.059 -1.912 317 HG3 LYS 39 1HG LYS 39 -13.417 -2.350 -0.328 318 HD2 LYS 39 2HD LYS 39 -14.252 -0.551 -1.329 319 HD3 LYS 39 1HD LYS 39 -12.666 -0.230 -2.032 320 HE2 LYS 39 2HE LYS 39 -13.978 -0.356 -3.917 321 HE3 LYS 39 1HE LYS 39 -13.401 -2.017 -3.787 322 HZ1 LYS 39 3HZ LYS 39 -15.953 -1.398 -4.093 323 HZ2 LYS 39 1HZ LYS 39 -15.883 -1.396 -2.402 324 HZ3 LYS 39 2HZ LYS 39 -15.442 -2.782 -3.265 325 H PHE 40 H PHE 40 -8.607 -2.311 0.469 326 HA PHE 40 HA PHE 40 -8.780 -4.987 1.346 327 HB2 PHE 40 2HB PHE 40 -6.844 -3.868 0.118 328 HB3 PHE 40 1HB PHE 40 -6.367 -3.205 1.677 329 HD1 PHE 40 2HD PHE 40 -7.128 -6.438 0.000 330 HD2 PHE 40 1HD PHE 40 -4.960 -4.415 3.053 331 HE1 PHE 40 2HE PHE 40 -5.902 -8.513 0.498 332 HE2 PHE 40 1HE PHE 40 -3.728 -6.484 3.556 333 HZ PHE 40 HZ PHE 40 -4.199 -8.537 2.279 334 H ALA 41 H ALA 41 -7.651 -2.085 3.093 335 HA ALA 41 HA ALA 41 -7.364 -3.301 5.592 336 HB1 ALA 41 1HB ALA 41 -8.219 -0.484 5.618 337 HB2 ALA 41 2HB ALA 41 -6.818 -0.844 4.610 338 HB3 ALA 41 3HB ALA 41 -6.795 -1.249 6.325 339 H LYS 42 H LYS 42 -10.183 -2.002 3.978 340 HA LYS 42 HA LYS 42 -11.902 -1.777 6.182 341 HB2 LYS 42 2HB LYS 42 -12.148 -1.149 3.599 342 HB3 LYS 42 1HB LYS 42 -13.017 -2.677 3.574 343 HG2 LYS 42 2HG LYS 42 -14.656 -1.902 5.053 344 HG3 LYS 42 1HG LYS 42 -13.669 -0.529 5.560 345 HD2 LYS 42 2HD LYS 42 -13.827 0.229 3.111 346 HD3 LYS 42 1HD LYS 42 -15.149 -0.933 2.979 347 HE2 LYS 42 2HE LYS 42 -16.234 1.058 3.496 348 HE3 LYS 42 1HE LYS 42 -16.107 0.246 5.055 349 HZ1 LYS 42 3HZ LYS 42 -14.067 1.585 5.453 350 HZ2 LYS 42 1HZ LYS 42 -15.484 2.504 5.349 351 HZ3 LYS 42 2HZ LYS 42 -14.409 2.458 4.044 352 H SER 43 H SER 43 -11.383 -4.490 3.942 353 HA SER 43 HA SER 43 -13.244 -6.249 5.063 354 HB2 SER 43 2HB SER 43 -12.188 -7.963 3.806 355 HB3 SER 43 1HB SER 43 -11.963 -6.490 2.863 356 HG SER 43 HG SER 43 -9.860 -6.345 3.901 357 H ARG 44 H ARG 44 -9.993 -5.419 6.029 358 HA ARG 44 HA ARG 44 -9.752 -7.598 7.900 359 HB2 ARG 44 2HB ARG 44 -8.072 -5.115 7.515 360 HB3 ARG 44 1HB ARG 44 -7.668 -6.444 8.593 361 HG2 ARG 44 2HG ARG 44 -8.169 -7.011 5.712 362 HG3 ARG 44 1HG ARG 44 -6.630 -6.303 6.204 363 HD2 ARG 44 2HD ARG 44 -6.467 -8.727 6.114 364 HD3 ARG 44 1HD ARG 44 -6.285 -8.152 7.771 365 HE ARG 44 HE ARG 44 -8.183 -9.295 8.333 366 HH11 ARG 44 1HH1 ARG 44 -8.066 -8.963 4.860 367 HH12 ARG 44 2HH1 ARG 44 -9.430 -9.997 4.592 368 HH21 ARG 44 1HH2 ARG 44 -9.977 -10.653 7.980 369 HH22 ARG 44 2HH2 ARG 44 -10.515 -10.955 6.362 370 H GLU 45 H GLU 45 -11.317 -4.602 7.930 371 HA GLU 45 HA GLU 45 -12.443 -3.469 9.549 372 HB2 GLU 45 2HB GLU 45 -12.721 -6.009 10.318 373 HB3 GLU 45 1HB GLU 45 -11.753 -5.439 11.670 374 HG2 GLU 45 2HG GLU 45 -13.551 -3.496 11.654 375 HG3 GLU 45 1HG GLU 45 -14.528 -4.754 10.896 376 H THR 46 H THR 46 -9.726 -2.890 9.049 377 HA THR 46 HA THR 46 -9.053 -1.593 11.573 378 HB THR 46 HB THR 46 -7.729 -3.640 11.651 379 HG1 THR 46 1HG THR 46 -5.614 -2.566 11.675 380 HG21 THR 46 3HG2 THR 46 -6.953 -4.571 9.780 381 HG22 THR 46 1HG2 THR 46 -5.835 -3.221 9.592 382 HG23 THR 46 2HG2 THR 46 -7.433 -3.153 8.848 383 H PHE 47 H PHE 47 -8.122 0.386 11.325 384 HA PHE 47 HA PHE 47 -7.764 1.309 8.556 385 HB2 PHE 47 2HB PHE 47 -8.173 3.565 9.413 386 HB3 PHE 47 1HB PHE 47 -9.496 2.486 9.847 387 HD1 PHE 47 1HD PHE 47 -9.658 1.626 12.177 388 HD2 PHE 47 2HD PHE 47 -6.889 4.657 11.059 389 HE1 PHE 47 1HE PHE 47 -9.396 2.251 14.542 390 HE2 PHE 47 2HE PHE 47 -6.621 5.289 13.422 391 HZ PHE 47 HZ PHE 47 -7.875 4.085 15.167 392 H ILE 48 H ILE 48 -5.731 -0.131 10.076 393 HA ILE 48 HA ILE 48 -3.680 1.980 10.253 394 HB ILE 48 HB ILE 48 -3.613 -0.684 11.671 395 HG12 ILE 48 2HG1 ILE 48 -3.888 1.801 13.241 396 HG13 ILE 48 1HG1 ILE 48 -5.312 1.344 12.312 397 HG21 ILE 48 1HG2 ILE 48 -1.755 1.597 11.414 398 HG22 ILE 48 2HG2 ILE 48 -1.423 -0.119 11.650 399 HG23 ILE 48 3HG2 ILE 48 -1.909 0.880 13.019 400 HD11 ILE 48 3HD1 ILE 48 -3.914 -0.239 14.446 401 HD12 ILE 48 1HD1 ILE 48 -5.143 -0.922 13.381 402 HD13 ILE 48 2HD1 ILE 48 -5.556 0.406 14.464 403 H ILE 49 H ILE 49 -2.739 1.934 8.285 404 HA ILE 49 HA ILE 49 -2.179 -0.581 6.955 405 HB ILE 49 HB ILE 49 -1.348 2.184 6.079 406 HG12 ILE 49 2HG1 ILE 49 -3.868 0.662 5.370 407 HG13 ILE 49 1HG1 ILE 49 -3.796 2.058 6.442 408 HG21 ILE 49 1HG2 ILE 49 -1.242 1.188 3.865 409 HG22 ILE 49 2HG2 ILE 49 -1.757 -0.365 4.520 410 HG23 ILE 49 3HG2 ILE 49 -0.198 0.314 4.986 411 HD11 ILE 49 3HD1 ILE 49 -2.684 2.369 3.717 412 HD12 ILE 49 1HD1 ILE 49 -3.546 3.525 4.733 413 HD13 ILE 49 2HD1 ILE 49 -4.437 2.261 3.885 414 H ASP 50 H ASP 50 -0.592 -1.655 8.046 415 HA ASP 50 HA ASP 50 1.985 -0.258 8.352 416 HB2 ASP 50 2HB ASP 50 0.919 -2.600 9.945 417 HB3 ASP 50 1HB ASP 50 2.499 -1.853 10.161 418 H ASP 51 H ASP 51 3.725 -2.249 8.663 419 HA ASP 51 HA ASP 51 4.212 -3.179 6.084 420 HB2 ASP 51 2HB ASP 51 5.937 -2.965 7.851 421 HB3 ASP 51 1HB ASP 51 5.244 -4.362 8.671 422 H GLU 52 H GLU 52 2.384 -4.594 8.697 423 HA GLU 52 HA GLU 52 2.257 -7.232 7.634 424 HB2 GLU 52 2HB GLU 52 1.578 -6.081 10.021 425 HB3 GLU 52 1HB GLU 52 -0.002 -6.358 9.302 426 HG2 GLU 52 2HG GLU 52 0.164 -8.392 10.192 427 HG3 GLU 52 1HG GLU 52 1.239 -8.735 8.837 428 H ILE 53 H ILE 53 0.138 -4.402 7.444 429 HA ILE 53 HA ILE 53 -1.855 -5.754 5.883 430 HB ILE 53 HB ILE 53 -1.496 -2.775 6.192 431 HG12 ILE 53 2HG1 ILE 53 -1.574 -3.823 8.403 432 HG13 ILE 53 1HG1 ILE 53 -3.065 -2.940 8.085 433 HG21 ILE 53 1HG2 ILE 53 -4.061 -4.278 5.788 434 HG22 ILE 53 2HG2 ILE 53 -3.059 -3.772 4.428 435 HG23 ILE 53 3HG2 ILE 53 -3.728 -2.565 5.527 436 HD11 ILE 53 3HD1 ILE 53 -4.153 -5.067 7.487 437 HD12 ILE 53 1HD1 ILE 53 -3.570 -5.030 9.150 438 HD13 ILE 53 2HD1 ILE 53 -2.670 -5.916 7.920 439 H ALA 54 H ALA 54 0.958 -3.778 5.230 440 HA ALA 54 HA ALA 54 0.362 -3.279 2.486 441 HB1 ALA 54 1HB ALA 54 1.951 -1.975 4.002 442 HB2 ALA 54 2HB ALA 54 2.479 -2.283 2.347 443 HB3 ALA 54 3HB ALA 54 3.120 -3.253 3.672 444 H ASN 55 H ASN 55 2.374 -5.650 4.188 445 HA ASN 55 HA ASN 55 3.429 -6.891 1.883 446 HB2 ASN 55 2HB ASN 55 4.123 -7.084 4.403 447 HB3 ASN 55 1HB ASN 55 2.966 -8.411 4.426 448 HD21 ASN 55 1HD2 ASN 55 6.089 -7.398 3.555 449 HD22 ASN 55 2HD2 ASN 55 6.615 -8.867 2.813 450 H GLU 56 H GLU 56 0.654 -7.714 3.948 451 HA GLU 56 HA GLU 56 -0.117 -10.015 2.508 452 HB2 GLU 56 2HB GLU 56 -0.845 -9.216 4.859 453 HB3 GLU 56 1HB GLU 56 -2.054 -8.269 4.005 454 HG2 GLU 56 2HG GLU 56 -3.343 -10.072 4.194 455 HG3 GLU 56 1HG GLU 56 -2.367 -10.739 2.884 456 H PHE 57 H PHE 57 -0.815 -6.609 2.102 457 HA PHE 57 HA PHE 57 -2.977 -6.881 0.301 458 HB2 PHE 57 2HB PHE 57 -2.507 -4.784 1.486 459 HB3 PHE 57 1HB PHE 57 -0.996 -4.611 0.600 460 HD1 PHE 57 1HD PHE 57 -4.450 -5.504 -0.485 461 HD2 PHE 57 2HD PHE 57 -1.169 -2.814 -0.817 462 HE1 PHE 57 1HE PHE 57 -5.636 -4.284 -2.263 463 HE2 PHE 57 2HE PHE 57 -2.349 -1.588 -2.595 464 HZ PHE 57 HZ PHE 57 -4.586 -2.322 -3.319 465 H LEU 58 H LEU 58 0.418 -5.990 -0.353 466 HA LEU 58 HA LEU 58 0.231 -6.205 -3.145 467 HB2 LEU 58 2HB LEU 58 2.707 -6.638 -1.480 468 HB3 LEU 58 1HB LEU 58 2.640 -6.149 -3.162 469 HG LEU 58 HG LEU 58 1.613 -4.481 -0.865 470 HD11 LEU 58 1HD1 LEU 58 3.595 -3.313 -0.826 471 HD12 LEU 58 2HD1 LEU 58 4.061 -3.837 -2.444 472 HD13 LEU 58 3HD1 LEU 58 4.165 -4.960 -1.088 473 HD21 LEU 58 3HD2 LEU 58 2.293 -3.266 -3.453 474 HD22 LEU 58 1HD2 LEU 58 0.938 -2.951 -2.368 475 HD23 LEU 58 2HD2 LEU 58 0.886 -4.330 -3.469 476 H LYS 59 H LYS 59 0.832 -8.585 -0.660 477 HA LYS 59 HA LYS 59 1.720 -10.627 -2.468 478 HB2 LYS 59 2HB LYS 59 2.311 -10.482 -0.013 479 HB3 LYS 59 1HB LYS 59 0.668 -10.999 0.337 480 HG2 LYS 59 2HG LYS 59 1.979 -12.937 0.461 481 HG3 LYS 59 1HG LYS 59 1.155 -13.032 -1.097 482 HD2 LYS 59 2HD LYS 59 3.303 -13.586 -1.703 483 HD3 LYS 59 1HD LYS 59 3.318 -11.842 -1.972 484 HE2 LYS 59 2HE LYS 59 4.485 -11.441 0.040 485 HE3 LYS 59 1HE LYS 59 4.185 -13.075 0.628 486 HZ1 LYS 59 3HZ LYS 59 5.643 -12.864 -1.877 487 HZ2 LYS 59 1HZ LYS 59 5.880 -13.913 -0.571 488 HZ3 LYS 59 2HZ LYS 59 6.465 -12.327 -0.500 489 H SER 60 H SER 60 -1.332 -9.605 -1.112 490 HA SER 60 HA SER 60 -2.767 -11.964 -1.892 491 HB2 SER 60 2HB SER 60 -3.612 -9.251 -0.886 492 HB3 SER 60 1HB SER 60 -4.789 -10.464 -1.394 493 HG SER 60 HG SER 60 -4.545 -10.893 0.705 494 H ILE 61 H ILE 61 -2.526 -8.645 -3.140 495 HA ILE 61 HA ILE 61 -4.295 -8.996 -5.305 496 HB ILE 61 HB ILE 61 -3.321 -6.968 -6.244 497 HG12 ILE 61 2HG1 ILE 61 -1.262 -7.201 -4.038 498 HG13 ILE 61 1HG1 ILE 61 -0.953 -7.479 -5.749 499 HG21 ILE 61 1HG2 ILE 61 -3.305 -6.254 -3.389 500 HG22 ILE 61 2HG2 ILE 61 -4.717 -7.153 -3.946 501 HG23 ILE 61 3HG2 ILE 61 -4.284 -5.625 -4.714 502 HD11 ILE 61 3HD1 ILE 61 -1.166 -4.980 -4.255 503 HD12 ILE 61 1HD1 ILE 61 -2.034 -4.987 -5.789 504 HD13 ILE 61 2HD1 ILE 61 -0.307 -5.344 -5.751 505 H GLY 62 H GLY 62 -0.931 -9.790 -4.870 506 HA2 GLY 62 2HA GLY 62 0.199 -11.395 -6.189 507 HA3 GLY 62 1HA GLY 62 -0.947 -11.099 -7.489 508 H ALA 63 H ALA 63 0.956 -8.754 -5.645 509 HA ALA 63 HA ALA 63 1.748 -7.362 -7.992 510 HB1 ALA 63 1HB ALA 63 1.667 -6.797 -5.287 511 HB2 ALA 63 2HB ALA 63 2.295 -5.747 -6.557 512 HB3 ALA 63 3HB ALA 63 3.390 -6.804 -5.666 513 H GLU 64 H GLU 64 2.909 -8.647 -9.376 514 HA GLU 64 HA GLU 64 5.649 -9.226 -8.548 515 HB2 GLU 64 2HB GLU 64 3.755 -11.251 -9.741 516 HB3 GLU 64 1HB GLU 64 5.502 -11.454 -9.738 517 HG2 GLU 64 2HG GLU 64 5.591 -11.879 -7.512 518 HG3 GLU 64 1HG GLU 64 4.194 -10.867 -7.148 519 H VAL 65 H VAL 65 6.421 -7.612 -9.869 520 HA VAL 65 HA VAL 65 5.611 -7.055 -12.478 521 HB VAL 65 HB VAL 65 7.813 -5.954 -12.760 522 HG11 VAL 65 1HG1 VAL 65 7.557 -4.378 -10.814 523 HG12 VAL 65 2HG1 VAL 65 6.303 -5.457 -10.203 524 HG13 VAL 65 3HG1 VAL 65 6.094 -4.655 -11.761 525 HG21 VAL 65 3HG2 VAL 65 9.386 -7.250 -11.668 526 HG22 VAL 65 1HG2 VAL 65 8.387 -7.435 -10.227 527 HG23 VAL 65 2HG2 VAL 65 9.189 -5.898 -10.554 528 H GLU 66 H GLU 66 8.064 -9.279 -11.272 529 HA GLU 66 HA GLU 66 9.250 -10.951 -12.261 530 HB2 GLU 66 2HB GLU 66 6.977 -10.942 -14.256 531 HB3 GLU 66 1HB GLU 66 8.108 -12.258 -13.970 532 HG2 GLU 66 2HG GLU 66 6.710 -11.382 -11.567 533 HG3 GLU 66 1HG GLU 66 5.641 -11.992 -12.828 534 H LEU 67 H LEU 67 11.076 -9.884 -12.933 535 HA LEU 67 HA LEU 67 11.337 -9.522 -15.795 536 HB2 LEU 67 2HB LEU 67 10.939 -7.294 -14.056 537 HB3 LEU 67 1HB LEU 67 12.586 -7.238 -14.653 538 HG LEU 67 HG LEU 67 11.344 -7.671 -16.977 539 HD11 LEU 67 1HD1 LEU 67 9.119 -7.698 -16.574 540 HD12 LEU 67 2HD1 LEU 67 9.318 -5.949 -16.693 541 HD13 LEU 67 3HD1 LEU 67 9.260 -6.723 -15.111 542 HD21 LEU 67 3HD2 LEU 67 11.151 -4.869 -16.081 543 HD22 LEU 67 1HD2 LEU 67 11.974 -5.562 -17.478 544 HD23 LEU 67 2HD2 LEU 67 12.725 -5.641 -15.883 545 HA PRO 68 HA PRO 68 15.340 -11.146 -14.864 546 HB2 PRO 68 2HB PRO 68 16.688 -10.451 -17.100 547 HB3 PRO 68 1HB PRO 68 15.447 -11.709 -17.095 548 HG2 PRO 68 2HG PRO 68 15.240 -8.847 -17.952 549 HG3 PRO 68 1HG PRO 68 14.594 -10.300 -18.739 550 HD2 PRO 68 2HD PRO 68 13.076 -8.652 -17.200 551 HD3 PRO 68 1HD PRO 68 12.767 -10.394 -17.344 552 H GLN 69 H GLN 69 17.653 -10.508 -14.701 553 HA GLN 69 HA GLN 69 17.916 -7.638 -14.081 554 HB2 GLN 69 2HB GLN 69 18.741 -10.071 -12.584 555 HB3 GLN 69 1HB GLN 69 19.823 -8.686 -12.526 556 HG2 GLN 69 2HG GLN 69 18.577 -8.011 -10.811 557 HG3 GLN 69 1HG GLN 69 17.397 -7.535 -12.032 558 HE21 GLN 69 1HE2 GLN 69 17.197 -8.559 -9.208 559 HE22 GLN 69 2HE2 GLN 69 16.069 -9.864 -9.304 560 H GLU 70 H GLU 70 18.629 -7.383 -16.307 561 HA GLU 70 HA GLU 70 21.354 -8.385 -16.785 562 HB2 GLU 70 2HB GLU 70 20.944 -7.944 -19.161 563 HB3 GLU 70 1HB GLU 70 19.739 -9.039 -18.499 564 HG2 GLU 70 2HG GLU 70 18.571 -6.586 -18.147 565 HG3 GLU 70 1HG GLU 70 19.427 -6.394 -19.676 566 H ILE 71 H ILE 71 22.840 -6.951 -16.203 567 HA ILE 71 HA ILE 71 22.519 -4.171 -17.087 568 HB ILE 71 HB ILE 71 23.508 -3.350 -14.987 569 HG12 ILE 71 2HG1 ILE 71 24.625 -5.527 -14.398 570 HG13 ILE 71 1HG1 ILE 71 23.781 -4.751 -13.063 571 HG21 ILE 71 1HG2 ILE 71 21.290 -2.993 -14.799 572 HG22 ILE 71 2HG2 ILE 71 21.425 -4.210 -13.529 573 HG23 ILE 71 3HG2 ILE 71 20.879 -4.674 -15.142 574 HD11 ILE 71 3HD1 ILE 71 22.747 -6.671 -12.704 575 HD12 ILE 71 1HD1 ILE 71 23.417 -7.364 -14.181 576 HD13 ILE 71 2HD1 ILE 71 21.908 -6.454 -14.241 577 H LYS 72 H LYS 72 24.001 -6.259 -18.304 578 HA LYS 72 HA LYS 72 26.787 -5.695 -17.627 579 HB2 LYS 72 2HB LYS 72 27.296 -7.514 -19.244 580 HB3 LYS 72 1HB LYS 72 26.257 -8.029 -17.922 581 HG2 LYS 72 2HG LYS 72 24.751 -8.755 -19.366 582 HG3 LYS 72 1HG LYS 72 24.604 -7.136 -20.053 583 HD2 LYS 72 2HD LYS 72 25.390 -8.056 -21.937 584 HD3 LYS 72 1HD LYS 72 26.961 -8.023 -21.135 585 HE2 LYS 72 2HE LYS 72 25.203 -10.338 -20.565 586 HE3 LYS 72 1HE LYS 72 25.910 -10.247 -22.178 587 HZ1 LYS 72 3HZ LYS 72 27.232 -10.595 -19.585 588 HZ2 LYS 72 1HZ LYS 72 28.074 -9.791 -20.813 589 HZ3 LYS 72 2HZ LYS 72 27.529 -11.373 -21.056 Start of MODEL 17 1 H MET 1 H MET 1 3.811 16.716 -1.149 2 HA MET 1 HA MET 1 3.897 15.229 -3.149 3 HB2 MET 1 2HB MET 1 6.541 15.499 -2.909 4 HB3 MET 1 1HB MET 1 6.342 14.086 -1.883 5 HG2 MET 1 2HG MET 1 4.980 13.960 -4.484 6 HG3 MET 1 1HG MET 1 6.741 13.990 -4.544 7 HE1 MET 1 2HE MET 1 5.092 11.987 -5.745 8 HE2 MET 1 3HE MET 1 4.010 11.146 -4.634 9 HE3 MET 1 1HE MET 1 5.490 10.362 -5.184 10 H ASP 2 H ASP 2 2.316 15.391 -1.067 11 HA ASP 2 HA ASP 2 2.599 12.823 0.354 12 HB2 ASP 2 2HB ASP 2 1.843 15.516 1.303 13 HB3 ASP 2 1HB ASP 2 0.839 14.200 1.903 14 H GLU 3 H GLU 3 1.409 13.182 -2.237 15 HA GLU 3 HA GLU 3 -1.376 13.403 -2.189 16 HB2 GLU 3 2HB GLU 3 0.623 12.213 -4.037 17 HB3 GLU 3 1HB GLU 3 -1.050 11.712 -4.242 18 HG2 GLU 3 2HG GLU 3 -1.537 13.590 -5.299 19 HG3 GLU 3 1HG GLU 3 -0.935 14.554 -3.951 20 H PHE 4 H PHE 4 0.719 10.595 -1.708 21 HA PHE 4 HA PHE 4 -1.459 8.746 -1.485 22 HB2 PHE 4 2HB PHE 4 0.775 8.036 -2.244 23 HB3 PHE 4 1HB PHE 4 1.436 8.439 -0.663 24 HD1 PHE 4 1HD PHE 4 -1.625 6.596 -1.736 25 HD2 PHE 4 2HD PHE 4 2.032 6.518 0.438 26 HE1 PHE 4 1HE PHE 4 -2.150 4.326 -0.941 27 HE2 PHE 4 2HE PHE 4 1.514 4.248 1.236 28 HZ PHE 4 HZ PHE 4 -0.579 3.150 0.545 29 H VAL 5 H VAL 5 0.726 10.341 0.813 30 HA VAL 5 HA VAL 5 -0.272 9.126 3.142 31 HB VAL 5 HB VAL 5 0.900 11.902 2.942 32 HG11 VAL 5 1HG1 VAL 5 1.092 11.904 5.188 33 HG12 VAL 5 2HG1 VAL 5 1.437 10.177 5.266 34 HG13 VAL 5 3HG1 VAL 5 -0.227 10.737 5.102 35 HG21 VAL 5 3HG2 VAL 5 2.663 9.695 3.726 36 HG22 VAL 5 1HG2 VAL 5 2.964 11.064 2.655 37 HG23 VAL 5 2HG2 VAL 5 2.127 9.636 2.047 38 H LYS 6 H LYS 6 -1.076 12.258 1.649 39 HA LYS 6 HA LYS 6 -3.109 12.880 3.545 40 HB2 LYS 6 2HB LYS 6 -2.314 14.005 0.874 41 HB3 LYS 6 1HB LYS 6 -3.777 14.556 1.680 42 HG2 LYS 6 2HG LYS 6 -2.118 14.876 3.708 43 HG3 LYS 6 1HG LYS 6 -0.932 14.982 2.406 44 HD2 LYS 6 2HD LYS 6 -3.372 16.548 1.960 45 HD3 LYS 6 1HD LYS 6 -2.414 17.069 3.346 46 HE2 LYS 6 2HE LYS 6 -1.180 16.573 0.653 47 HE3 LYS 6 1HE LYS 6 -1.894 18.128 1.076 48 HZ1 LYS 6 3HZ LYS 6 0.155 18.564 1.832 49 HZ2 LYS 6 1HZ LYS 6 0.588 16.934 1.960 50 HZ3 LYS 6 2HZ LYS 6 -0.313 17.668 3.188 51 H GLY 7 H GLY 7 -3.033 11.170 0.502 52 HA2 GLY 7 2HA GLY 7 -5.747 11.240 -0.171 53 HA3 GLY 7 1HA GLY 7 -4.633 9.955 -0.608 54 H LEU 8 H LEU 8 -4.003 9.122 2.048 55 HA LEU 8 HA LEU 8 -6.390 7.559 2.580 56 HB2 LEU 8 2HB LEU 8 -3.553 7.439 3.568 57 HB3 LEU 8 1HB LEU 8 -4.821 6.473 4.300 58 HG LEU 8 HG LEU 8 -4.452 6.308 1.346 59 HD11 LEU 8 1HD1 LEU 8 -2.641 4.843 1.448 60 HD12 LEU 8 2HD1 LEU 8 -2.790 4.627 3.192 61 HD13 LEU 8 3HD1 LEU 8 -2.188 6.152 2.539 62 HD21 LEU 8 3HD2 LEU 8 -6.220 5.149 2.919 63 HD22 LEU 8 1HD2 LEU 8 -4.899 4.011 3.184 64 HD23 LEU 8 2HD2 LEU 8 -5.509 4.289 1.553 65 H MET 9 H MET 9 -4.359 9.948 4.199 66 HA MET 9 HA MET 9 -5.498 9.857 6.739 67 HB2 MET 9 2HB MET 9 -3.571 11.389 5.468 68 HB3 MET 9 1HB MET 9 -4.812 12.563 5.883 69 HG2 MET 9 2HG MET 9 -3.972 12.647 7.922 70 HG3 MET 9 1HG MET 9 -4.496 10.981 8.163 71 HE1 MET 9 3HE MET 9 -1.280 9.082 6.829 72 HE2 MET 9 1HE MET 9 -2.891 9.413 6.196 73 HE3 MET 9 2HE MET 9 -2.698 8.801 7.837 74 H LYS 10 H LYS 10 -6.658 11.303 3.787 75 HA LYS 10 HA LYS 10 -8.606 13.010 4.933 76 HB2 LYS 10 2HB LYS 10 -8.130 11.865 2.210 77 HB3 LYS 10 1HB LYS 10 -9.668 12.647 2.551 78 HG2 LYS 10 2HG LYS 10 -8.014 14.528 3.487 79 HG3 LYS 10 1HG LYS 10 -6.970 13.806 2.260 80 HD2 LYS 10 2HD LYS 10 -8.023 15.236 0.875 81 HD3 LYS 10 1HD LYS 10 -9.297 14.015 0.889 82 HE2 LYS 10 2HE LYS 10 -10.418 16.015 1.333 83 HE3 LYS 10 1HE LYS 10 -10.218 15.272 2.920 84 HZ1 LYS 10 3HZ LYS 10 -8.377 17.323 1.823 85 HZ2 LYS 10 1HZ LYS 10 -8.417 16.722 3.403 86 HZ3 LYS 10 2HZ LYS 10 -9.686 17.683 2.832 87 H ASN 11 H ASN 11 -8.568 9.617 4.105 88 HA ASN 11 HA ASN 11 -11.424 9.384 4.720 89 HB2 ASN 11 2HB ASN 11 -9.445 7.561 3.372 90 HB3 ASN 11 1HB ASN 11 -10.988 6.951 3.965 91 HD21 ASN 11 1HD2 ASN 11 -9.476 7.982 1.301 92 HD22 ASN 11 2HD2 ASN 11 -10.814 8.602 0.400 93 H GLY 12 H GLY 12 -9.353 9.897 6.758 94 HA2 GLY 12 2HA GLY 12 -8.829 9.206 8.883 95 HA3 GLY 12 1HA GLY 12 -10.290 8.235 8.793 96 H TYR 13 H TYR 13 -7.102 8.118 7.198 97 HA TYR 13 HA TYR 13 -6.782 5.385 8.231 98 HB2 TYR 13 2HB TYR 13 -6.620 6.318 5.390 99 HB3 TYR 13 1HB TYR 13 -5.618 4.972 5.919 100 HD1 TYR 13 1HD TYR 13 -6.852 3.014 7.095 101 HD2 TYR 13 2HD TYR 13 -8.800 5.927 4.684 102 HE1 TYR 13 1HE TYR 13 -8.742 1.476 6.776 103 HE2 TYR 13 2HE TYR 13 -10.697 4.396 4.358 104 HH TYR 13 HH TYR 13 -10.578 1.155 5.001 105 H LEU 14 H LEU 14 -4.691 4.757 8.706 106 HA LEU 14 HA LEU 14 -2.644 6.867 8.485 107 HB2 LEU 14 2HB LEU 14 -2.898 4.832 10.700 108 HB3 LEU 14 1HB LEU 14 -1.729 6.135 10.605 109 HG LEU 14 HG LEU 14 -4.711 6.508 10.883 110 HD11 LEU 14 1HD1 LEU 14 -2.681 7.150 12.982 111 HD12 LEU 14 2HD1 LEU 14 -3.344 5.521 12.844 112 HD13 LEU 14 3HD1 LEU 14 -4.417 6.888 13.147 113 HD21 LEU 14 3HD2 LEU 14 -2.408 8.447 10.847 114 HD22 LEU 14 1HD2 LEU 14 -4.027 8.856 11.418 115 HD23 LEU 14 2HD2 LEU 14 -3.777 8.377 9.738 116 H ILE 15 H ILE 15 -0.456 6.166 8.257 117 HA ILE 15 HA ILE 15 -0.043 3.361 7.547 118 HB ILE 15 HB ILE 15 -0.606 4.482 5.434 119 HG12 ILE 15 2HG1 ILE 15 2.326 3.759 5.652 120 HG13 ILE 15 1HG1 ILE 15 1.004 2.614 5.442 121 HG21 ILE 15 1HG2 ILE 15 0.149 6.737 6.070 122 HG22 ILE 15 2HG2 ILE 15 0.793 6.225 4.511 123 HG23 ILE 15 3HG2 ILE 15 1.823 6.194 5.944 124 HD11 ILE 15 3HD1 ILE 15 1.395 2.786 3.266 125 HD12 ILE 15 1HD1 ILE 15 2.409 4.212 3.480 126 HD13 ILE 15 2HD1 ILE 15 0.659 4.386 3.361 127 H THR 16 H THR 16 1.947 2.604 8.062 128 HA THR 16 HA THR 16 3.654 4.303 9.639 129 HB THR 16 HB THR 16 5.094 2.161 9.711 130 HG1 THR 16 1HG THR 16 4.048 1.181 7.874 131 HG21 THR 16 3HG2 THR 16 3.861 1.341 11.519 132 HG22 THR 16 1HG2 THR 16 2.318 1.777 10.785 133 HG23 THR 16 2HG2 THR 16 3.376 3.034 11.423 134 HA PRO 17 HA PRO 17 6.568 5.707 6.645 135 HB2 PRO 17 2HB PRO 17 8.652 4.770 8.558 136 HB3 PRO 17 1HB PRO 17 8.451 6.353 7.799 137 HG2 PRO 17 2HG PRO 17 7.803 5.982 10.352 138 HG3 PRO 17 1HG PRO 17 6.813 7.013 9.302 139 HD2 PRO 17 2HD PRO 17 6.287 4.245 10.286 140 HD3 PRO 17 1HD PRO 17 5.151 5.577 10.000 141 H SER 18 H SER 18 7.192 2.582 8.186 142 HA SER 18 HA SER 18 9.038 1.595 6.318 143 HB2 SER 18 2HB SER 18 8.059 0.670 8.665 144 HB3 SER 18 1HB SER 18 7.180 -0.362 7.537 145 HG SER 18 HG SER 18 8.949 -1.456 7.331 146 H ALA 19 H ALA 19 5.511 1.159 6.510 147 HA ALA 19 HA ALA 19 5.331 -0.349 4.108 148 HB1 ALA 19 1HB ALA 19 3.487 -0.752 5.367 149 HB2 ALA 19 2HB ALA 19 2.832 0.548 4.369 150 HB3 ALA 19 3HB ALA 19 3.419 0.894 5.996 151 H TYR 20 H TYR 20 5.211 3.067 4.854 152 HA TYR 20 HA TYR 20 4.095 3.976 2.432 153 HB2 TYR 20 2HB TYR 20 4.238 5.398 4.418 154 HB3 TYR 20 1HB TYR 20 5.996 5.377 4.324 155 HD1 TYR 20 1HD TYR 20 3.040 6.253 2.205 156 HD2 TYR 20 2HD TYR 20 7.047 7.167 3.310 157 HE1 TYR 20 1HE TYR 20 2.980 8.242 0.761 158 HE2 TYR 20 2HE TYR 20 6.995 9.158 1.869 159 HH TYR 20 HH TYR 20 5.628 9.857 -0.258 160 H TYR 21 H TYR 21 7.484 3.659 3.466 161 HA TYR 21 HA TYR 21 8.708 4.621 1.169 162 HB2 TYR 21 2HB TYR 21 9.496 2.920 3.438 163 HB3 TYR 21 1HB TYR 21 10.449 2.672 1.978 164 HD1 TYR 21 2HD TYR 21 9.486 5.112 4.558 165 HD2 TYR 21 1HD TYR 21 11.966 4.354 1.185 166 HE1 TYR 21 2HE TYR 21 10.818 7.110 5.096 167 HE2 TYR 21 1HE TYR 21 13.305 6.348 1.714 168 HH TYR 21 HH TYR 21 12.305 8.713 3.882 169 H LEU 22 H LEU 22 7.080 1.610 1.700 170 HA LEU 22 HA LEU 22 8.193 0.441 -0.733 171 HB2 LEU 22 2HB LEU 22 6.123 -0.811 1.050 172 HB3 LEU 22 1HB LEU 22 7.222 -1.605 -0.062 173 HG LEU 22 HG LEU 22 8.373 -0.099 2.243 174 HD11 LEU 22 1HD1 LEU 22 8.219 -2.558 3.300 175 HD12 LEU 22 2HD1 LEU 22 6.689 -2.516 2.422 176 HD13 LEU 22 3HD1 LEU 22 7.045 -1.284 3.632 177 HD21 LEU 22 3HD2 LEU 22 9.171 -2.707 0.965 178 HD22 LEU 22 1HD2 LEU 22 10.131 -1.696 2.047 179 HD23 LEU 22 2HD2 LEU 22 9.747 -1.132 0.421 180 H LEU 23 H LEU 23 4.992 1.188 0.643 181 HA LEU 23 HA LEU 23 3.546 0.609 -1.710 182 HB2 LEU 23 2HB LEU 23 2.913 2.268 0.719 183 HB3 LEU 23 1HB LEU 23 1.774 2.079 -0.599 184 HG LEU 23 HG LEU 23 2.920 -0.236 0.959 185 HD11 LEU 23 1HD1 LEU 23 0.563 -0.284 1.931 186 HD12 LEU 23 2HD1 LEU 23 0.428 1.384 1.377 187 HD13 LEU 23 3HD1 LEU 23 1.669 0.942 2.550 188 HD21 LEU 23 3HD2 LEU 23 0.560 -0.047 -0.909 189 HD22 LEU 23 1HD2 LEU 23 1.105 -1.491 -0.057 190 HD23 LEU 23 2HD2 LEU 23 2.122 -0.764 -1.299 191 H VAL 24 H VAL 24 5.259 3.443 -0.631 192 HA VAL 24 HA VAL 24 4.071 5.410 -2.203 193 HB VAL 24 HB VAL 24 5.722 5.917 -0.462 194 HG11 VAL 24 1HG1 VAL 24 7.964 5.208 -2.291 195 HG12 VAL 24 2HG1 VAL 24 7.218 3.939 -1.321 196 HG13 VAL 24 3HG1 VAL 24 7.942 5.341 -0.533 197 HG21 VAL 24 3HG2 VAL 24 7.073 7.039 -2.826 198 HG22 VAL 24 1HG2 VAL 24 6.347 7.851 -1.439 199 HG23 VAL 24 2HG2 VAL 24 5.327 7.275 -2.758 200 H GLY 25 H GLY 25 6.413 2.936 -3.042 201 HA2 GLY 25 2HA GLY 25 6.962 4.067 -5.645 202 HA3 GLY 25 1HA GLY 25 7.539 2.526 -5.032 203 H HIS 26 H HIS 26 4.884 1.567 -4.322 204 HA HIS 26 HA HIS 26 4.135 0.571 -6.925 205 HB2 HIS 26 2HB HIS 26 4.144 -0.555 -4.454 206 HB3 HIS 26 1HB HIS 26 2.448 -0.115 -4.600 207 HD1 HIS 26 1HD HIS 26 4.968 -1.754 -6.948 208 HD2 HIS 26 2HD HIS 26 1.069 -2.208 -5.584 209 HE1 HIS 26 1HE HIS 26 4.080 -3.795 -8.118 210 HE2 HIS 26 2HE HIS 26 1.753 -4.106 -7.203 211 H PHE 27 H PHE 27 3.144 3.123 -4.893 212 HA PHE 27 HA PHE 27 0.442 3.230 -5.960 213 HB2 PHE 27 2HB PHE 27 0.955 3.795 -3.567 214 HB3 PHE 27 1HB PHE 27 1.827 5.211 -4.143 215 HD1 PHE 27 1HD PHE 27 -1.513 3.588 -4.216 216 HD2 PHE 27 2HD PHE 27 0.704 7.209 -4.513 217 HE1 PHE 27 1HE PHE 27 -3.614 4.871 -4.227 218 HE2 PHE 27 2HE PHE 27 -1.392 8.496 -4.524 219 HZ PHE 27 HZ PHE 27 -3.555 7.328 -4.381 220 H ASN 28 H ASN 28 3.395 5.208 -6.012 221 HA ASN 28 HA ASN 28 2.412 7.226 -7.701 222 HB2 ASN 28 2HB ASN 28 5.078 6.322 -6.781 223 HB3 ASN 28 1HB ASN 28 5.054 7.267 -8.267 224 HD21 ASN 28 1HD2 ASN 28 4.188 7.257 -4.873 225 HD22 ASN 28 2HD2 ASN 28 4.139 8.975 -4.686 226 H GLU 29 H GLU 29 4.090 4.191 -8.402 227 HA GLU 29 HA GLU 29 4.462 4.550 -11.146 228 HB2 GLU 29 2HB GLU 29 4.758 2.441 -9.259 229 HB3 GLU 29 1HB GLU 29 3.871 1.803 -10.636 230 HG2 GLU 29 2HG GLU 29 6.147 3.426 -11.423 231 HG3 GLU 29 1HG GLU 29 6.600 2.046 -10.423 232 H GLY 30 H GLY 30 1.621 3.687 -9.322 233 HA2 GLY 30 2HA GLY 30 -0.576 3.992 -10.142 234 HA3 GLY 30 1HA GLY 30 0.045 3.871 -11.781 235 H LYS 31 H LYS 31 0.908 1.579 -9.294 236 HA LYS 31 HA LYS 31 -0.153 -0.578 -10.886 237 HB2 LYS 31 2HB LYS 31 1.974 -0.344 -9.163 238 HB3 LYS 31 1HB LYS 31 0.813 -1.246 -8.199 239 HG2 LYS 31 2HG LYS 31 1.555 -2.056 -10.992 240 HG3 LYS 31 1HG LYS 31 2.453 -2.596 -9.572 241 HD2 LYS 31 2HD LYS 31 0.473 -3.638 -8.665 242 HD3 LYS 31 1HD LYS 31 -0.510 -2.996 -9.981 243 HE2 LYS 31 2HE LYS 31 1.337 -4.288 -11.418 244 HE3 LYS 31 1HE LYS 31 1.388 -5.268 -9.952 245 HZ1 LYS 31 3HZ LYS 31 -0.732 -4.989 -11.924 246 HZ2 LYS 31 1HZ LYS 31 -1.228 -5.106 -10.311 247 HZ3 LYS 31 2HZ LYS 31 -0.285 -6.331 -10.998 248 H PHE 32 H PHE 32 -0.593 0.399 -7.478 249 HA PHE 32 HA PHE 32 -3.246 -0.869 -7.567 250 HB2 PHE 32 2HB PHE 32 -3.094 -1.269 -5.240 251 HB3 PHE 32 1HB PHE 32 -1.510 -1.684 -5.885 252 HD1 PHE 32 2HD PHE 32 0.385 -0.077 -5.589 253 HD2 PHE 32 1HD PHE 32 -3.356 0.410 -3.619 254 HE1 PHE 32 2HE PHE 32 1.437 1.457 -3.977 255 HE2 PHE 32 1HE PHE 32 -2.310 1.945 -2.004 256 HZ PHE 32 HZ PHE 32 0.089 2.468 -2.183 257 H SER 33 H SER 33 -5.047 0.295 -7.193 258 HA SER 33 HA SER 33 -4.752 3.182 -6.992 259 HB2 SER 33 2HB SER 33 -7.423 1.845 -7.145 260 HB3 SER 33 1HB SER 33 -6.877 3.350 -7.885 261 HG SER 33 HG SER 33 -6.530 0.707 -8.743 262 H LEU 34 H LEU 34 -6.189 4.413 -5.537 263 HA LEU 34 HA LEU 34 -5.825 3.679 -2.862 264 HB2 LEU 34 2HB LEU 34 -7.238 5.820 -4.315 265 HB3 LEU 34 1HB LEU 34 -7.849 5.487 -2.706 266 HG LEU 34 HG LEU 34 -4.964 6.125 -3.316 267 HD11 LEU 34 1HD1 LEU 34 -5.379 8.339 -2.524 268 HD12 LEU 34 2HD1 LEU 34 -7.050 7.941 -2.127 269 HD13 LEU 34 3HD1 LEU 34 -6.532 7.997 -3.813 270 HD21 LEU 34 3HD2 LEU 34 -4.789 5.123 -1.294 271 HD22 LEU 34 1HD2 LEU 34 -6.482 5.405 -0.885 272 HD23 LEU 34 2HD2 LEU 34 -5.307 6.710 -0.728 273 H ILE 35 H ILE 35 -8.586 3.297 -5.017 274 HA ILE 35 HA ILE 35 -10.499 2.527 -3.126 275 HB ILE 35 HB ILE 35 -11.083 3.086 -5.435 276 HG12 ILE 35 2HG1 ILE 35 -11.898 0.223 -4.969 277 HG13 ILE 35 1HG1 ILE 35 -12.488 1.532 -3.947 278 HG21 ILE 35 1HG2 ILE 35 -9.650 2.275 -6.967 279 HG22 ILE 35 2HG2 ILE 35 -10.752 0.898 -6.984 280 HG23 ILE 35 3HG2 ILE 35 -9.280 0.838 -6.015 281 HD11 ILE 35 3HD1 ILE 35 -14.173 1.385 -5.474 282 HD12 ILE 35 1HD1 ILE 35 -13.095 0.920 -6.789 283 HD13 ILE 35 2HD1 ILE 35 -13.152 2.597 -6.246 284 H GLU 36 H GLU 36 -7.812 0.798 -4.477 285 HA GLU 36 HA GLU 36 -8.796 -1.804 -3.691 286 HB2 GLU 36 2HB GLU 36 -6.043 -0.984 -4.633 287 HB3 GLU 36 1HB GLU 36 -6.637 -2.631 -4.485 288 HG2 GLU 36 2HG GLU 36 -8.480 -1.263 -6.106 289 HG3 GLU 36 1HG GLU 36 -6.873 -0.811 -6.672 290 H LEU 37 H LEU 37 -6.377 0.521 -2.565 291 HA LEU 37 HA LEU 37 -5.335 -1.071 -0.481 292 HB2 LEU 37 2HB LEU 37 -4.267 0.976 -1.446 293 HB3 LEU 37 1HB LEU 37 -5.460 1.941 -0.596 294 HG LEU 37 HG LEU 37 -4.603 1.186 1.548 295 HD11 LEU 37 1HD1 LEU 37 -3.939 -1.059 1.003 296 HD12 LEU 37 2HD1 LEU 37 -2.542 -0.186 1.633 297 HD13 LEU 37 3HD1 LEU 37 -2.697 -0.466 -0.100 298 HD21 LEU 37 3HD2 LEU 37 -3.511 3.066 0.123 299 HD22 LEU 37 1HD2 LEU 37 -2.163 1.936 -0.006 300 HD23 LEU 37 2HD2 LEU 37 -2.698 2.491 1.580 301 H ILE 38 H ILE 38 -7.974 1.274 -0.604 302 HA ILE 38 HA ILE 38 -8.511 1.209 2.195 303 HB ILE 38 HB ILE 38 -10.409 2.017 -0.008 304 HG12 ILE 38 2HG1 ILE 38 -8.713 3.951 1.533 305 HG13 ILE 38 1HG1 ILE 38 -8.039 3.132 0.127 306 HG21 ILE 38 1HG2 ILE 38 -11.592 1.798 2.024 307 HG22 ILE 38 2HG2 ILE 38 -11.280 3.522 1.827 308 HG23 ILE 38 3HG2 ILE 38 -10.302 2.571 2.946 309 HD11 ILE 38 3HD1 ILE 38 -10.397 4.987 0.226 310 HD12 ILE 38 1HD1 ILE 38 -9.997 4.001 -1.180 311 HD13 ILE 38 2HD1 ILE 38 -8.859 5.221 -0.606 312 H LYS 39 H LYS 39 -9.626 -0.615 -0.579 313 HA LYS 39 HA LYS 39 -11.883 -1.817 0.592 314 HB2 LYS 39 2HB LYS 39 -10.335 -2.107 -1.832 315 HB3 LYS 39 1HB LYS 39 -10.799 -3.682 -1.205 316 HG2 LYS 39 2HG LYS 39 -13.050 -3.274 -1.469 317 HG3 LYS 39 1HG LYS 39 -12.844 -1.523 -1.429 318 HD2 LYS 39 2HD LYS 39 -13.326 -2.026 -3.673 319 HD3 LYS 39 1HD LYS 39 -11.578 -1.786 -3.625 320 HE2 LYS 39 2HE LYS 39 -11.815 -3.718 -4.896 321 HE3 LYS 39 1HE LYS 39 -11.457 -4.336 -3.284 322 HZ1 LYS 39 3HZ LYS 39 -13.809 -4.723 -2.939 323 HZ2 LYS 39 1HZ LYS 39 -13.283 -5.536 -4.327 324 HZ3 LYS 39 2HZ LYS 39 -14.169 -4.103 -4.470 325 H PHE 40 H PHE 40 -8.471 -2.690 0.603 326 HA PHE 40 HA PHE 40 -8.792 -5.243 1.789 327 HB2 PHE 40 2HB PHE 40 -6.746 -4.368 0.559 328 HB3 PHE 40 1HB PHE 40 -6.353 -3.482 2.028 329 HD1 PHE 40 1HD PHE 40 -7.493 -6.952 1.246 330 HD2 PHE 40 2HD PHE 40 -4.677 -4.457 3.236 331 HE1 PHE 40 1HE PHE 40 -6.362 -8.947 2.142 332 HE2 PHE 40 2HE PHE 40 -3.542 -6.447 4.134 333 HZ PHE 40 HZ PHE 40 -4.384 -8.695 3.587 334 H ALA 41 H ALA 41 -7.991 -2.056 3.141 335 HA ALA 41 HA ALA 41 -7.751 -2.895 5.817 336 HB1 ALA 41 1HB ALA 41 -8.740 -0.159 5.337 337 HB2 ALA 41 2HB ALA 41 -7.231 -0.593 4.535 338 HB3 ALA 41 3HB ALA 41 -7.367 -0.721 6.289 339 H LYS 42 H LYS 42 -10.507 -1.665 3.965 340 HA LYS 42 HA LYS 42 -12.350 -1.405 6.030 341 HB2 LYS 42 2HB LYS 42 -12.620 -1.998 3.101 342 HB3 LYS 42 1HB LYS 42 -14.041 -1.986 4.136 343 HG2 LYS 42 2HG LYS 42 -12.147 0.334 4.077 344 HG3 LYS 42 1HG LYS 42 -13.430 0.159 2.876 345 HD2 LYS 42 2HD LYS 42 -15.115 0.195 4.581 346 HD3 LYS 42 1HD LYS 42 -13.897 0.132 5.855 347 HE2 LYS 42 2HE LYS 42 -13.056 2.328 4.611 348 HE3 LYS 42 1HE LYS 42 -14.757 2.403 4.153 349 HZ1 LYS 42 3HZ LYS 42 -15.368 2.329 6.475 350 HZ2 LYS 42 1HZ LYS 42 -14.298 3.614 6.207 351 HZ3 LYS 42 2HZ LYS 42 -13.746 2.192 6.938 352 H SER 43 H SER 43 -11.892 -4.206 3.867 353 HA SER 43 HA SER 43 -13.701 -5.884 5.237 354 HB2 SER 43 2HB SER 43 -11.623 -6.236 3.144 355 HB3 SER 43 1HB SER 43 -12.103 -7.680 4.035 356 HG SER 43 HG SER 43 -14.284 -7.173 3.464 357 H ARG 44 H ARG 44 -10.368 -5.075 5.782 358 HA ARG 44 HA ARG 44 -9.901 -7.301 7.567 359 HB2 ARG 44 2HB ARG 44 -8.178 -6.064 6.055 360 HB3 ARG 44 1HB ARG 44 -8.120 -4.896 7.367 361 HG2 ARG 44 2HG ARG 44 -6.477 -6.209 8.133 362 HG3 ARG 44 1HG ARG 44 -7.806 -7.197 8.744 363 HD2 ARG 44 2HD ARG 44 -7.003 -7.707 5.954 364 HD3 ARG 44 1HD ARG 44 -5.815 -8.137 7.182 365 HE ARG 44 HE ARG 44 -7.219 -9.810 7.937 366 HH11 ARG 44 1HH1 ARG 44 -8.871 -7.855 5.558 367 HH12 ARG 44 2HH1 ARG 44 -10.181 -8.970 5.373 368 HH21 ARG 44 1HH2 ARG 44 -8.943 -11.273 7.690 369 HH22 ARG 44 2HH2 ARG 44 -10.224 -10.909 6.582 370 H GLU 45 H GLU 45 -11.120 -4.095 7.789 371 HA GLU 45 HA GLU 45 -11.886 -2.852 9.529 372 HB2 GLU 45 2HB GLU 45 -11.872 -5.613 10.624 373 HB3 GLU 45 1HB GLU 45 -12.018 -4.299 11.784 374 HG2 GLU 45 2HG GLU 45 -13.949 -3.440 10.484 375 HG3 GLU 45 1HG GLU 45 -13.839 -4.872 9.459 376 H THR 46 H THR 46 -9.478 -2.135 9.061 377 HA THR 46 HA THR 46 -8.381 -1.422 11.593 378 HB THR 46 HB THR 46 -7.322 -3.538 11.633 379 HG1 THR 46 1HG THR 46 -5.933 -1.592 11.879 380 HG21 THR 46 3HG2 THR 46 -6.125 -4.518 9.782 381 HG22 THR 46 1HG2 THR 46 -6.395 -3.080 8.798 382 HG23 THR 46 2HG2 THR 46 -7.755 -4.104 9.252 383 H PHE 47 H PHE 47 -8.202 0.678 11.100 384 HA PHE 47 HA PHE 47 -7.498 1.656 8.529 385 HB2 PHE 47 2HB PHE 47 -7.435 3.863 9.617 386 HB3 PHE 47 1HB PHE 47 -8.884 2.965 10.056 387 HD1 PHE 47 1HD PHE 47 -5.645 4.215 11.237 388 HD2 PHE 47 2HD PHE 47 -9.258 2.237 12.306 389 HE1 PHE 47 1HE PHE 47 -5.114 4.541 13.618 390 HE2 PHE 47 2HE PHE 47 -8.734 2.559 14.689 391 HZ PHE 47 HZ PHE 47 -6.660 3.712 15.347 392 H ILE 48 H ILE 48 -5.665 0.685 11.290 393 HA ILE 48 HA ILE 48 -3.307 2.178 10.753 394 HB ILE 48 HB ILE 48 -3.465 -0.457 12.213 395 HG12 ILE 48 2HG1 ILE 48 -3.424 1.918 13.889 396 HG13 ILE 48 1HG1 ILE 48 -4.850 1.883 12.855 397 HG21 ILE 48 1HG2 ILE 48 -1.375 -0.066 12.965 398 HG22 ILE 48 2HG2 ILE 48 -1.609 1.680 13.039 399 HG23 ILE 48 3HG2 ILE 48 -1.262 0.902 11.494 400 HD11 ILE 48 3HD1 ILE 48 -4.772 -0.672 13.798 401 HD12 ILE 48 1HD1 ILE 48 -5.739 0.639 14.474 402 HD13 ILE 48 2HD1 ILE 48 -4.166 0.252 15.172 403 H ILE 49 H ILE 49 -2.620 1.971 8.658 404 HA ILE 49 HA ILE 49 -2.313 -0.636 7.445 405 HB ILE 49 HB ILE 49 -1.348 2.009 6.366 406 HG12 ILE 49 2HG1 ILE 49 -4.004 0.661 5.838 407 HG13 ILE 49 1HG1 ILE 49 -3.790 2.024 6.931 408 HG21 ILE 49 1HG2 ILE 49 -0.762 -0.453 5.468 409 HG22 ILE 49 2HG2 ILE 49 -0.920 0.954 4.417 410 HG23 ILE 49 3HG2 ILE 49 -2.270 -0.166 4.600 411 HD11 ILE 49 3HD1 ILE 49 -4.637 2.592 4.649 412 HD12 ILE 49 1HD1 ILE 49 -3.058 2.116 4.021 413 HD13 ILE 49 2HD1 ILE 49 -3.188 3.464 5.150 414 H ASP 50 H ASP 50 -0.775 -1.643 8.784 415 HA ASP 50 HA ASP 50 1.886 -0.433 8.908 416 HB2 ASP 50 2HB ASP 50 0.925 -2.967 10.248 417 HB3 ASP 50 1HB ASP 50 2.401 -2.073 10.597 418 H ASP 51 H ASP 51 3.569 -2.507 9.000 419 HA ASP 51 HA ASP 51 3.953 -3.195 6.312 420 HB2 ASP 51 2HB ASP 51 5.665 -3.138 8.232 421 HB3 ASP 51 1HB ASP 51 5.111 -4.766 8.607 422 H GLU 52 H GLU 52 2.473 -4.966 8.977 423 HA GLU 52 HA GLU 52 2.231 -7.461 7.725 424 HB2 GLU 52 2HB GLU 52 0.895 -6.089 10.000 425 HB3 GLU 52 1HB GLU 52 0.088 -7.499 9.326 426 HG2 GLU 52 2HG GLU 52 1.892 -8.912 9.848 427 HG3 GLU 52 1HG GLU 52 2.966 -7.551 10.166 428 H ILE 53 H ILE 53 0.160 -4.607 7.656 429 HA ILE 53 HA ILE 53 -1.949 -5.860 6.190 430 HB ILE 53 HB ILE 53 -1.382 -2.903 6.375 431 HG12 ILE 53 2HG1 ILE 53 -1.438 -3.898 8.624 432 HG13 ILE 53 1HG1 ILE 53 -2.850 -2.883 8.339 433 HG21 ILE 53 1HG2 ILE 53 -4.063 -3.157 6.352 434 HG22 ILE 53 2HG2 ILE 53 -3.606 -4.557 5.380 435 HG23 ILE 53 3HG2 ILE 53 -3.085 -2.942 4.898 436 HD11 ILE 53 3HD1 ILE 53 -2.728 -5.623 9.102 437 HD12 ILE 53 1HD1 ILE 53 -3.550 -5.490 7.548 438 HD13 ILE 53 2HD1 ILE 53 -4.137 -4.574 8.935 439 H ALA 54 H ALA 54 0.792 -3.790 5.334 440 HA ALA 54 HA ALA 54 0.143 -3.516 2.596 441 HB1 ALA 54 1HB ALA 54 1.668 -1.977 3.653 442 HB2 ALA 54 2HB ALA 54 2.499 -2.805 2.335 443 HB3 ALA 54 3HB ALA 54 2.798 -3.284 4.005 444 H ASN 55 H ASN 55 2.171 -5.815 4.363 445 HA ASN 55 HA ASN 55 3.242 -7.156 2.143 446 HB2 ASN 55 2HB ASN 55 3.784 -7.309 4.720 447 HB3 ASN 55 1HB ASN 55 2.636 -8.643 4.668 448 HD21 ASN 55 1HD2 ASN 55 5.189 -7.478 2.493 449 HD22 ASN 55 2HD2 ASN 55 6.007 -8.994 2.367 450 H GLU 56 H GLU 56 0.423 -7.968 4.164 451 HA GLU 56 HA GLU 56 -0.365 -10.233 2.701 452 HB2 GLU 56 2HB GLU 56 -1.928 -8.344 4.462 453 HB3 GLU 56 1HB GLU 56 -2.624 -9.802 3.766 454 HG2 GLU 56 2HG GLU 56 -0.271 -10.657 4.966 455 HG3 GLU 56 1HG GLU 56 -0.947 -9.482 6.093 456 H PHE 57 H PHE 57 -1.038 -6.817 2.281 457 HA PHE 57 HA PHE 57 -3.117 -7.116 0.373 458 HB2 PHE 57 2HB PHE 57 -2.729 -5.034 1.662 459 HB3 PHE 57 1HB PHE 57 -1.235 -4.779 0.767 460 HD1 PHE 57 2HD PHE 57 -4.781 -5.601 -0.079 461 HD2 PHE 57 1HD PHE 57 -1.373 -3.169 -0.844 462 HE1 PHE 57 2HE PHE 57 -6.035 -4.401 -1.822 463 HE2 PHE 57 1HE PHE 57 -2.622 -1.963 -2.588 464 HZ PHE 57 HZ PHE 57 -4.956 -2.579 -3.080 465 H LEU 58 H LEU 58 0.302 -6.184 -0.039 466 HA LEU 58 HA LEU 58 0.304 -6.242 -2.837 467 HB2 LEU 58 2HB LEU 58 2.548 -6.686 -0.870 468 HB3 LEU 58 1HB LEU 58 2.787 -6.500 -2.597 469 HG LEU 58 HG LEU 58 1.621 -4.418 -0.747 470 HD11 LEU 58 1HD1 LEU 58 3.818 -4.208 -0.254 471 HD12 LEU 58 2HD1 LEU 58 3.824 -3.294 -1.762 472 HD13 LEU 58 3HD1 LEU 58 4.342 -4.980 -1.751 473 HD21 LEU 58 3HD2 LEU 58 1.799 -4.648 -3.688 474 HD22 LEU 58 1HD2 LEU 58 2.215 -3.084 -2.987 475 HD23 LEU 58 2HD2 LEU 58 0.628 -3.793 -2.684 476 H LYS 59 H LYS 59 0.702 -8.788 -0.470 477 HA LYS 59 HA LYS 59 1.653 -10.748 -2.324 478 HB2 LYS 59 2HB LYS 59 2.113 -10.883 0.096 479 HB3 LYS 59 1HB LYS 59 0.397 -11.116 0.402 480 HG2 LYS 59 2HG LYS 59 0.602 -13.296 0.103 481 HG3 LYS 59 1HG LYS 59 1.258 -13.042 -1.515 482 HD2 LYS 59 2HD LYS 59 2.895 -14.270 -0.323 483 HD3 LYS 59 1HD LYS 59 3.489 -12.610 -0.405 484 HE2 LYS 59 2HE LYS 59 2.391 -12.296 1.883 485 HE3 LYS 59 1HE LYS 59 2.278 -14.055 1.933 486 HZ1 LYS 59 3HZ LYS 59 4.832 -13.751 1.273 487 HZ2 LYS 59 1HZ LYS 59 4.296 -13.852 2.874 488 HZ3 LYS 59 2HZ LYS 59 4.609 -12.341 2.181 489 H SER 60 H SER 60 -1.475 -9.676 -1.211 490 HA SER 60 HA SER 60 -2.919 -11.927 -2.247 491 HB2 SER 60 2HB SER 60 -3.683 -9.261 -1.100 492 HB3 SER 60 1HB SER 60 -4.892 -10.237 -1.933 493 HG SER 60 HG SER 60 -4.144 -11.976 -0.459 494 H ILE 61 H ILE 61 -2.471 -8.554 -3.288 495 HA ILE 61 HA ILE 61 -3.979 -8.791 -5.665 496 HB ILE 61 HB ILE 61 -2.895 -6.707 -6.369 497 HG12 ILE 61 2HG1 ILE 61 -1.224 -7.004 -3.863 498 HG13 ILE 61 1HG1 ILE 61 -0.629 -7.250 -5.502 499 HG21 ILE 61 1HG2 ILE 61 -3.346 -5.509 -4.004 500 HG22 ILE 61 2HG2 ILE 61 -4.129 -7.063 -3.714 501 HG23 ILE 61 3HG2 ILE 61 -4.630 -6.063 -5.079 502 HD11 ILE 61 3HD1 ILE 61 -1.175 -4.901 -6.012 503 HD12 ILE 61 1HD1 ILE 61 0.013 -5.073 -4.720 504 HD13 ILE 61 2HD1 ILE 61 -1.661 -4.679 -4.331 505 H GLY 62 H GLY 62 -0.653 -9.502 -4.869 506 HA2 GLY 62 2HA GLY 62 0.737 -10.955 -6.080 507 HA3 GLY 62 1HA GLY 62 -0.337 -10.797 -7.461 508 H ALA 63 H ALA 63 1.332 -8.326 -5.529 509 HA ALA 63 HA ALA 63 2.115 -6.884 -7.865 510 HB1 ALA 63 1HB ALA 63 3.260 -5.386 -6.310 511 HB2 ALA 63 2HB ALA 63 3.000 -6.541 -5.001 512 HB3 ALA 63 3HB ALA 63 1.622 -5.745 -5.763 513 H GLU 64 H GLU 64 3.158 -8.999 -8.697 514 HA GLU 64 HA GLU 64 6.021 -8.669 -8.424 515 HB2 GLU 64 2HB GLU 64 4.626 -11.244 -7.692 516 HB3 GLU 64 1HB GLU 64 6.338 -11.156 -8.082 517 HG2 GLU 64 2HG GLU 64 6.731 -9.687 -6.211 518 HG3 GLU 64 1HG GLU 64 5.005 -9.638 -5.851 519 H VAL 65 H VAL 65 5.330 -7.901 -10.620 520 HA VAL 65 HA VAL 65 5.338 -10.168 -12.503 521 HB VAL 65 HB VAL 65 3.142 -9.068 -12.524 522 HG11 VAL 65 1HG1 VAL 65 4.454 -6.758 -12.044 523 HG12 VAL 65 2HG1 VAL 65 2.806 -6.846 -12.663 524 HG13 VAL 65 3HG1 VAL 65 4.152 -6.603 -13.775 525 HG21 VAL 65 3HG2 VAL 65 3.737 -10.053 -14.575 526 HG22 VAL 65 1HG2 VAL 65 4.884 -8.768 -14.955 527 HG23 VAL 65 2HG2 VAL 65 3.151 -8.442 -14.992 528 H GLU 66 H GLU 66 7.220 -10.238 -13.525 529 HA GLU 66 HA GLU 66 8.603 -7.707 -14.119 530 HB2 GLU 66 2HB GLU 66 9.541 -10.376 -13.264 531 HB3 GLU 66 1HB GLU 66 10.512 -9.599 -14.507 532 HG2 GLU 66 2HG GLU 66 11.529 -8.900 -12.566 533 HG3 GLU 66 1HG GLU 66 10.460 -7.549 -12.939 534 H LEU 67 H LEU 67 7.456 -10.737 -15.445 535 HA LEU 67 HA LEU 67 7.716 -9.624 -18.128 536 HB2 LEU 67 2HB LEU 67 9.529 -11.506 -17.161 537 HB3 LEU 67 1HB LEU 67 8.408 -12.442 -18.132 538 HG LEU 67 HG LEU 67 9.457 -9.957 -19.359 539 HD11 LEU 67 1HD1 LEU 67 11.416 -11.605 -20.113 540 HD12 LEU 67 2HD1 LEU 67 11.169 -12.196 -18.469 541 HD13 LEU 67 3HD1 LEU 67 11.566 -10.501 -18.748 542 HD21 LEU 67 3HD2 LEU 67 8.671 -12.712 -20.218 543 HD22 LEU 67 1HD2 LEU 67 9.658 -11.695 -21.269 544 HD23 LEU 67 2HD2 LEU 67 8.058 -11.152 -20.765 545 HA PRO 68 HA PRO 68 3.582 -11.487 -17.683 546 HB2 PRO 68 2HB PRO 68 2.445 -10.054 -19.692 547 HB3 PRO 68 1HB PRO 68 2.663 -9.415 -18.058 548 HG2 PRO 68 2HG PRO 68 4.330 -8.972 -20.504 549 HG3 PRO 68 1HG PRO 68 3.803 -7.800 -19.280 550 HD2 PRO 68 2HD PRO 68 6.290 -8.868 -19.296 551 HD3 PRO 68 1HD PRO 68 5.456 -8.419 -17.795 552 H GLN 69 H GLN 69 5.616 -11.157 -20.510 553 HA GLN 69 HA GLN 69 4.161 -12.718 -22.321 554 HB2 GLN 69 2HB GLN 69 6.477 -11.315 -22.450 555 HB3 GLN 69 1HB GLN 69 7.103 -12.958 -22.431 556 HG2 GLN 69 2HG GLN 69 5.225 -13.275 -24.283 557 HG3 GLN 69 1HG GLN 69 5.521 -11.550 -24.496 558 HE21 GLN 69 1HE2 GLN 69 7.784 -10.905 -24.819 559 HE22 GLN 69 2HE2 GLN 69 8.818 -11.959 -25.714 560 H GLU 70 H GLU 70 6.946 -13.707 -20.319 561 HA GLU 70 HA GLU 70 6.576 -16.477 -20.867 562 HB2 GLU 70 2HB GLU 70 8.694 -15.134 -20.045 563 HB3 GLU 70 1HB GLU 70 8.065 -15.534 -18.452 564 HG2 GLU 70 2HG GLU 70 8.026 -17.942 -19.219 565 HG3 GLU 70 1HG GLU 70 8.962 -17.411 -20.616 566 H ILE 71 H ILE 71 6.304 -14.720 -17.773 567 HA ILE 71 HA ILE 71 4.412 -16.766 -16.854 568 HB ILE 71 HB ILE 71 4.791 -15.813 -14.595 569 HG12 ILE 71 2HG1 ILE 71 7.109 -14.283 -15.741 570 HG13 ILE 71 1HG1 ILE 71 5.513 -13.543 -15.646 571 HG21 ILE 71 1HG2 ILE 71 7.145 -16.801 -16.178 572 HG22 ILE 71 2HG2 ILE 71 6.066 -17.719 -15.130 573 HG23 ILE 71 3HG2 ILE 71 7.206 -16.569 -14.431 574 HD11 ILE 71 3HD1 ILE 71 6.172 -12.878 -13.625 575 HD12 ILE 71 1HD1 ILE 71 7.471 -14.069 -13.550 576 HD13 ILE 71 2HD1 ILE 71 5.823 -14.534 -13.128 577 H LYS 72 H LYS 72 2.467 -16.151 -15.779 578 HA LYS 72 HA LYS 72 1.369 -13.638 -16.812 579 HB2 LYS 72 2HB LYS 72 0.360 -16.208 -16.819 580 HB3 LYS 72 1HB LYS 72 -0.499 -15.455 -15.482 581 HG2 LYS 72 2HG LYS 72 -0.694 -13.542 -17.414 582 HG3 LYS 72 1HG LYS 72 -0.754 -15.030 -18.361 583 HD2 LYS 72 2HD LYS 72 -2.426 -15.638 -16.306 584 HD3 LYS 72 1HD LYS 72 -2.709 -13.905 -16.479 585 HE2 LYS 72 2HE LYS 72 -2.739 -14.704 -19.072 586 HE3 LYS 72 1HE LYS 72 -3.405 -16.128 -18.272 587 HZ1 LYS 72 3HZ LYS 72 -4.463 -13.497 -17.531 588 HZ2 LYS 72 1HZ LYS 72 -5.242 -14.998 -17.583 589 HZ3 LYS 72 2HZ LYS 72 -4.931 -14.155 -19.017 Start of MODEL 18 1 H MET 1 H MET 1 2.642 16.725 -3.314 2 HA MET 1 HA MET 1 4.298 14.827 -4.797 3 HB2 MET 1 2HB MET 1 5.993 15.573 -3.282 4 HB3 MET 1 1HB MET 1 5.168 17.004 -3.884 5 HG2 MET 1 2HG MET 1 3.730 16.652 -1.694 6 HG3 MET 1 1HG MET 1 5.195 15.826 -1.165 7 HE1 MET 1 2HE MET 1 3.716 18.902 -2.771 8 HE2 MET 1 3HE MET 1 4.645 20.254 -2.126 9 HE3 MET 1 1HE MET 1 3.538 19.367 -1.080 10 H ASP 2 H ASP 2 2.310 15.242 -1.935 11 HA ASP 2 HA ASP 2 2.815 12.419 -1.255 12 HB2 ASP 2 2HB ASP 2 2.697 14.840 0.482 13 HB3 ASP 2 1HB ASP 2 2.050 13.335 1.125 14 H GLU 3 H GLU 3 0.917 12.637 -2.992 15 HA GLU 3 HA GLU 3 -1.656 13.294 -1.938 16 HB2 GLU 3 2HB GLU 3 -0.881 11.696 -4.385 17 HB3 GLU 3 1HB GLU 3 -2.511 12.239 -4.013 18 HG2 GLU 3 2HG GLU 3 -0.253 14.189 -4.245 19 HG3 GLU 3 1HG GLU 3 -1.103 13.597 -5.673 20 H PHE 4 H PHE 4 0.303 10.416 -2.073 21 HA PHE 4 HA PHE 4 -1.648 8.459 -1.675 22 HB2 PHE 4 2HB PHE 4 0.802 8.096 -2.195 23 HB3 PHE 4 1HB PHE 4 1.132 8.402 -0.493 24 HD1 PHE 4 1HD PHE 4 -1.425 6.398 -2.336 25 HD2 PHE 4 2HD PHE 4 1.625 6.471 0.630 26 HE1 PHE 4 1HE PHE 4 -1.866 4.031 -1.832 27 HE2 PHE 4 2HE PHE 4 1.192 4.103 1.140 28 HZ PHE 4 HZ PHE 4 -0.555 2.881 -0.093 29 H VAL 5 H VAL 5 0.497 9.800 0.844 30 HA VAL 5 HA VAL 5 -0.913 8.769 3.019 31 HB VAL 5 HB VAL 5 0.205 10.596 4.348 32 HG11 VAL 5 1HG1 VAL 5 1.986 9.009 2.503 33 HG12 VAL 5 2HG1 VAL 5 1.235 8.399 3.976 34 HG13 VAL 5 3HG1 VAL 5 2.439 9.684 4.069 35 HG21 VAL 5 3HG2 VAL 5 1.765 12.061 3.288 36 HG22 VAL 5 1HG2 VAL 5 0.218 12.236 2.460 37 HG23 VAL 5 2HG2 VAL 5 1.510 11.290 1.724 38 H LYS 6 H LYS 6 -1.350 11.746 1.208 39 HA LYS 6 HA LYS 6 -3.164 12.968 3.019 40 HB2 LYS 6 2HB LYS 6 -1.803 13.910 0.938 41 HB3 LYS 6 1HB LYS 6 -3.310 13.556 0.101 42 HG2 LYS 6 2HG LYS 6 -4.478 14.926 1.861 43 HG3 LYS 6 1HG LYS 6 -2.877 15.431 2.409 44 HD2 LYS 6 2HD LYS 6 -2.412 16.263 0.119 45 HD3 LYS 6 1HD LYS 6 -4.070 15.858 -0.330 46 HE2 LYS 6 2HE LYS 6 -4.939 17.627 0.771 47 HE3 LYS 6 1HE LYS 6 -3.773 17.513 2.087 48 HZ1 LYS 6 3HZ LYS 6 -2.717 18.354 -0.487 49 HZ2 LYS 6 1HZ LYS 6 -2.353 18.911 1.068 50 HZ3 LYS 6 2HZ LYS 6 -3.748 19.453 0.281 51 H GLY 7 H GLY 7 -3.515 10.663 0.417 52 HA2 GLY 7 2HA GLY 7 -6.358 10.937 0.178 53 HA3 GLY 7 1HA GLY 7 -5.376 9.648 -0.500 54 H LEU 8 H LEU 8 -4.226 9.028 2.171 55 HA LEU 8 HA LEU 8 -6.215 7.128 2.964 56 HB2 LEU 8 2HB LEU 8 -3.661 7.818 4.411 57 HB3 LEU 8 1HB LEU 8 -4.589 6.336 4.540 58 HG LEU 8 HG LEU 8 -3.415 7.121 1.901 59 HD11 LEU 8 1HD1 LEU 8 -1.823 5.331 3.623 60 HD12 LEU 8 2HD1 LEU 8 -1.774 7.049 4.021 61 HD13 LEU 8 3HD1 LEU 8 -1.305 6.502 2.410 62 HD21 LEU 8 3HD2 LEU 8 -5.025 5.076 2.649 63 HD22 LEU 8 1HD2 LEU 8 -3.434 4.341 2.850 64 HD23 LEU 8 2HD2 LEU 8 -3.904 5.016 1.288 65 H MET 9 H MET 9 -4.728 9.960 4.523 66 HA MET 9 HA MET 9 -6.135 9.854 6.929 67 HB2 MET 9 2HB MET 9 -4.564 11.851 5.465 68 HB3 MET 9 1HB MET 9 -5.794 12.550 6.508 69 HG2 MET 9 2HG MET 9 -4.394 12.323 8.199 70 HG3 MET 9 1HG MET 9 -4.577 10.577 8.051 71 HE1 MET 9 3HE MET 9 -2.077 9.009 7.274 72 HE2 MET 9 1HE MET 9 -1.844 9.590 5.625 73 HE3 MET 9 2HE MET 9 -3.473 9.318 6.243 74 H LYS 10 H LYS 10 -7.110 10.963 3.778 75 HA LYS 10 HA LYS 10 -9.281 12.582 4.451 76 HB2 LYS 10 2HB LYS 10 -8.445 11.034 2.068 77 HB3 LYS 10 1HB LYS 10 -10.146 11.471 2.148 78 HG2 LYS 10 2HG LYS 10 -9.024 13.839 2.763 79 HG3 LYS 10 1HG LYS 10 -7.772 13.157 1.722 80 HD2 LYS 10 2HD LYS 10 -9.980 12.569 0.283 81 HD3 LYS 10 1HD LYS 10 -10.500 14.060 1.068 82 HE2 LYS 10 2HE LYS 10 -8.048 14.804 0.282 83 HE3 LYS 10 1HE LYS 10 -8.399 13.608 -0.965 84 HZ1 LYS 10 3HZ LYS 10 -10.671 14.985 -0.954 85 HZ2 LYS 10 1HZ LYS 10 -9.359 15.370 -1.951 86 HZ3 LYS 10 2HZ LYS 10 -9.598 16.212 -0.504 87 H ASN 11 H ASN 11 -8.960 9.104 4.373 88 HA ASN 11 HA ASN 11 -11.794 8.847 5.133 89 HB2 ASN 11 2HB ASN 11 -9.971 7.134 3.521 90 HB3 ASN 11 1HB ASN 11 -11.165 6.320 4.528 91 HD21 ASN 11 1HD2 ASN 11 -13.374 7.680 4.381 92 HD22 ASN 11 2HD2 ASN 11 -13.925 7.878 2.757 93 H GLY 12 H GLY 12 -9.554 9.533 6.909 94 HA2 GLY 12 2HA GLY 12 -8.800 8.989 9.007 95 HA3 GLY 12 1HA GLY 12 -10.213 7.950 9.116 96 H TYR 13 H TYR 13 -7.125 7.935 7.325 97 HA TYR 13 HA TYR 13 -6.596 5.265 8.417 98 HB2 TYR 13 2HB TYR 13 -6.711 6.055 5.525 99 HB3 TYR 13 1HB TYR 13 -5.631 4.765 6.043 100 HD1 TYR 13 2HD TYR 13 -6.543 2.671 6.957 101 HD2 TYR 13 1HD TYR 13 -9.094 5.739 5.479 102 HE1 TYR 13 2HE TYR 13 -8.407 1.071 6.870 103 HE2 TYR 13 1HE TYR 13 -10.966 4.148 5.389 104 HH TYR 13 HH TYR 13 -11.332 1.739 5.257 105 H LEU 14 H LEU 14 -4.461 4.803 8.804 106 HA LEU 14 HA LEU 14 -2.553 6.988 8.279 107 HB2 LEU 14 2HB LEU 14 -2.304 5.038 10.551 108 HB3 LEU 14 1HB LEU 14 -1.504 6.585 10.350 109 HG LEU 14 HG LEU 14 -4.454 6.225 10.882 110 HD11 LEU 14 1HD1 LEU 14 -3.656 5.732 12.939 111 HD12 LEU 14 2HD1 LEU 14 -3.526 7.487 13.048 112 HD13 LEU 14 3HD1 LEU 14 -2.106 6.522 12.650 113 HD21 LEU 14 3HD2 LEU 14 -2.754 8.715 10.859 114 HD22 LEU 14 1HD2 LEU 14 -4.480 8.624 11.214 115 HD23 LEU 14 2HD2 LEU 14 -3.892 8.245 9.595 116 H ILE 15 H ILE 15 -0.214 6.178 8.392 117 HA ILE 15 HA ILE 15 0.181 3.444 7.523 118 HB ILE 15 HB ILE 15 -0.417 4.571 5.424 119 HG12 ILE 15 2HG1 ILE 15 2.547 3.992 5.447 120 HG13 ILE 15 1HG1 ILE 15 1.326 2.729 5.563 121 HG21 ILE 15 1HG2 ILE 15 0.786 6.763 6.414 122 HG22 ILE 15 2HG2 ILE 15 0.451 6.520 4.701 123 HG23 ILE 15 3HG2 ILE 15 2.056 6.170 5.345 124 HD11 ILE 15 3HD1 ILE 15 1.898 4.566 3.266 125 HD12 ILE 15 1HD1 ILE 15 0.394 3.652 3.389 126 HD13 ILE 15 2HD1 ILE 15 1.938 2.803 3.308 127 H THR 16 H THR 16 2.075 2.703 8.243 128 HA THR 16 HA THR 16 3.831 4.430 9.700 129 HB THR 16 HB THR 16 5.240 2.282 9.863 130 HG1 THR 16 1HG THR 16 4.048 0.383 9.321 131 HG21 THR 16 3HG2 THR 16 3.069 1.239 11.176 132 HG22 THR 16 1HG2 THR 16 2.662 2.952 11.065 133 HG23 THR 16 2HG2 THR 16 4.171 2.453 11.829 134 HA PRO 17 HA PRO 17 6.860 5.500 6.692 135 HB2 PRO 17 2HB PRO 17 9.204 5.055 8.052 136 HB3 PRO 17 1HB PRO 17 8.179 6.473 8.283 137 HG2 PRO 17 2HG PRO 17 8.341 3.968 9.909 138 HG3 PRO 17 1HG PRO 17 8.203 5.650 10.454 139 HD2 PRO 17 2HD PRO 17 6.082 4.004 10.415 140 HD3 PRO 17 1HD PRO 17 5.926 5.730 10.031 141 H SER 18 H SER 18 7.171 2.390 8.283 142 HA SER 18 HA SER 18 9.081 1.308 6.461 143 HB2 SER 18 2HB SER 18 7.427 0.288 8.701 144 HB3 SER 18 1HB SER 18 7.927 -0.901 7.498 145 HG SER 18 HG SER 18 9.361 -0.242 9.443 146 H ALA 19 H ALA 19 5.598 1.513 6.553 147 HA ALA 19 HA ALA 19 5.281 -0.336 4.333 148 HB1 ALA 19 1HB ALA 19 3.448 1.064 6.203 149 HB2 ALA 19 2HB ALA 19 3.487 -0.628 5.709 150 HB3 ALA 19 3HB ALA 19 2.817 0.592 4.624 151 H TYR 20 H TYR 20 5.239 3.112 4.954 152 HA TYR 20 HA TYR 20 4.076 3.964 2.543 153 HB2 TYR 20 2HB TYR 20 4.348 5.459 4.455 154 HB3 TYR 20 1HB TYR 20 6.099 5.365 4.303 155 HD1 TYR 20 1HD TYR 20 3.070 6.364 2.366 156 HD2 TYR 20 2HD TYR 20 7.220 6.981 3.071 157 HE1 TYR 20 1HE TYR 20 3.036 8.298 0.846 158 HE2 TYR 20 2HE TYR 20 7.197 8.917 1.554 159 HH TYR 20 HH TYR 20 5.875 9.783 -0.305 160 H TYR 21 H TYR 21 7.476 3.471 3.443 161 HA TYR 21 HA TYR 21 8.634 4.323 1.050 162 HB2 TYR 21 2HB TYR 21 9.476 2.589 3.309 163 HB3 TYR 21 1HB TYR 21 10.408 2.466 1.821 164 HD1 TYR 21 2HD TYR 21 9.035 5.077 4.117 165 HD2 TYR 21 1HD TYR 21 12.208 3.887 1.544 166 HE1 TYR 21 2HE TYR 21 10.295 7.093 4.748 167 HE2 TYR 21 1HE TYR 21 13.476 5.900 2.168 168 HH TYR 21 HH TYR 21 12.742 8.327 3.088 169 H LEU 22 H LEU 22 6.982 1.375 1.840 170 HA LEU 22 HA LEU 22 7.935 0.030 -0.562 171 HB2 LEU 22 2HB LEU 22 6.073 -0.839 1.647 172 HB3 LEU 22 1HB LEU 22 6.462 -1.834 0.256 173 HG LEU 22 HG LEU 22 8.716 -0.791 1.901 174 HD11 LEU 22 1HD1 LEU 22 7.362 -3.322 2.722 175 HD12 LEU 22 2HD1 LEU 22 6.810 -1.777 3.372 176 HD13 LEU 22 3HD1 LEU 22 8.476 -2.297 3.628 177 HD21 LEU 22 3HD2 LEU 22 9.271 -3.351 1.350 178 HD22 LEU 22 1HD2 LEU 22 9.612 -2.031 0.232 179 HD23 LEU 22 2HD2 LEU 22 8.157 -3.007 0.027 180 H LEU 23 H LEU 23 4.862 1.167 0.814 181 HA LEU 23 HA LEU 23 3.301 0.484 -1.452 182 HB2 LEU 23 2HB LEU 23 2.845 2.346 0.869 183 HB3 LEU 23 1HB LEU 23 1.657 2.134 -0.404 184 HG LEU 23 HG LEU 23 2.672 -0.012 1.462 185 HD11 LEU 23 1HD1 LEU 23 0.027 0.074 1.845 186 HD12 LEU 23 2HD1 LEU 23 0.313 1.764 1.429 187 HD13 LEU 23 3HD1 LEU 23 1.169 1.033 2.787 188 HD21 LEU 23 3HD2 LEU 23 0.726 -0.135 -0.834 189 HD22 LEU 23 1HD2 LEU 23 0.883 -1.388 0.396 190 HD23 LEU 23 2HD2 LEU 23 2.243 -1.017 -0.663 191 H VAL 24 H VAL 24 5.198 3.280 -0.586 192 HA VAL 24 HA VAL 24 4.097 5.188 -2.297 193 HB VAL 24 HB VAL 24 5.763 5.738 -0.580 194 HG11 VAL 24 1HG1 VAL 24 7.179 3.668 -1.189 195 HG12 VAL 24 2HG1 VAL 24 8.006 5.140 -0.677 196 HG13 VAL 24 3HG1 VAL 24 7.925 4.725 -2.388 197 HG21 VAL 24 3HG2 VAL 24 6.782 6.521 -3.305 198 HG22 VAL 24 1HG2 VAL 24 6.926 7.428 -1.799 199 HG23 VAL 24 2HG2 VAL 24 5.346 7.220 -2.555 200 H GLY 25 H GLY 25 6.650 2.793 -2.900 201 HA2 GLY 25 2HA GLY 25 7.214 3.619 -5.547 202 HA3 GLY 25 1HA GLY 25 7.608 2.055 -4.853 203 H HIS 26 H HIS 26 5.105 1.057 -4.280 204 HA HIS 26 HA HIS 26 4.278 0.141 -6.834 205 HB2 HIS 26 2HB HIS 26 4.118 -0.950 -4.421 206 HB3 HIS 26 1HB HIS 26 2.521 -0.212 -4.449 207 HD1 HIS 26 1HD HIS 26 4.363 -1.995 -7.258 208 HD2 HIS 26 2HD HIS 26 0.886 -2.302 -5.001 209 HE1 HIS 26 1HE HIS 26 3.076 -3.909 -8.261 210 HE2 HIS 26 2HE HIS 26 0.937 -4.020 -6.933 211 H PHE 27 H PHE 27 3.446 2.898 -5.022 212 HA PHE 27 HA PHE 27 0.857 3.186 -6.355 213 HB2 PHE 27 2HB PHE 27 1.071 3.625 -3.890 214 HB3 PHE 27 1HB PHE 27 2.098 5.000 -4.281 215 HD1 PHE 27 2HD PHE 27 -1.277 3.600 -4.979 216 HD2 PHE 27 1HD PHE 27 1.146 7.078 -4.616 217 HE1 PHE 27 2HE PHE 27 -3.276 5.013 -5.225 218 HE2 PHE 27 1HE PHE 27 -0.848 8.500 -4.861 219 HZ PHE 27 HZ PHE 27 -3.063 7.467 -5.167 220 H ASN 28 H ASN 28 4.005 4.766 -6.059 221 HA ASN 28 HA ASN 28 3.474 7.043 -7.587 222 HB2 ASN 28 2HB ASN 28 5.597 6.284 -6.196 223 HB3 ASN 28 1HB ASN 28 6.157 5.743 -7.775 224 HD21 ASN 28 1HD2 ASN 28 7.593 7.621 -6.546 225 HD22 ASN 28 2HD2 ASN 28 7.377 9.162 -7.296 226 H GLU 29 H GLU 29 4.472 3.799 -8.557 227 HA GLU 29 HA GLU 29 4.837 4.440 -11.309 228 HB2 GLU 29 2HB GLU 29 5.862 2.471 -10.156 229 HB3 GLU 29 1HB GLU 29 4.267 1.735 -10.088 230 HG2 GLU 29 2HG GLU 29 4.241 2.022 -12.634 231 HG3 GLU 29 1HG GLU 29 5.977 2.286 -12.481 232 H GLY 30 H GLY 30 2.109 3.496 -9.351 233 HA2 GLY 30 2HA GLY 30 -0.128 3.968 -9.986 234 HA3 GLY 30 1HA GLY 30 0.369 3.922 -11.670 235 H LYS 31 H LYS 31 1.167 1.484 -9.264 236 HA LYS 31 HA LYS 31 0.035 -0.566 -10.945 237 HB2 LYS 31 2HB LYS 31 2.094 -0.459 -9.066 238 HB3 LYS 31 1HB LYS 31 0.866 -1.468 -8.314 239 HG2 LYS 31 2HG LYS 31 1.697 -1.976 -11.137 240 HG3 LYS 31 1HG LYS 31 2.691 -2.550 -9.796 241 HD2 LYS 31 2HD LYS 31 0.874 -3.849 -8.924 242 HD3 LYS 31 1HD LYS 31 -0.251 -3.145 -10.086 243 HE2 LYS 31 2HE LYS 31 2.119 -4.445 -11.250 244 HE3 LYS 31 1HE LYS 31 1.002 -5.524 -10.415 245 HZ1 LYS 31 3HZ LYS 31 0.542 -5.209 -12.824 246 HZ2 LYS 31 1HZ LYS 31 0.159 -3.592 -12.502 247 HZ3 LYS 31 2HZ LYS 31 -0.765 -4.831 -11.818 248 H PHE 32 H PHE 32 -0.431 0.313 -7.512 249 HA PHE 32 HA PHE 32 -3.124 -0.853 -7.682 250 HB2 PHE 32 2HB PHE 32 -3.047 -1.246 -5.347 251 HB3 PHE 32 1HB PHE 32 -1.466 -1.723 -5.959 252 HD1 PHE 32 1HD PHE 32 0.442 -0.039 -5.737 253 HD2 PHE 32 2HD PHE 32 -3.237 0.298 -3.625 254 HE1 PHE 32 1HE PHE 32 1.518 1.456 -4.107 255 HE2 PHE 32 2HE PHE 32 -2.167 1.795 -1.992 256 HZ PHE 32 HZ PHE 32 0.213 2.375 -2.231 257 H SER 33 H SER 33 -4.923 0.280 -6.946 258 HA SER 33 HA SER 33 -4.615 3.179 -7.008 259 HB2 SER 33 2HB SER 33 -6.884 1.281 -7.428 260 HB3 SER 33 1HB SER 33 -7.254 2.927 -6.912 261 HG SER 33 HG SER 33 -6.399 2.005 -9.338 262 H LEU 34 H LEU 34 -5.618 4.551 -5.441 263 HA LEU 34 HA LEU 34 -5.104 3.827 -2.784 264 HB2 LEU 34 2HB LEU 34 -6.290 6.125 -4.184 265 HB3 LEU 34 1HB LEU 34 -6.846 5.916 -2.534 266 HG LEU 34 HG LEU 34 -3.981 6.254 -3.422 267 HD11 LEU 34 1HD1 LEU 34 -4.942 8.366 -3.511 268 HD12 LEU 34 2HD1 LEU 34 -4.263 8.299 -1.884 269 HD13 LEU 34 3HD1 LEU 34 -5.994 8.054 -2.130 270 HD21 LEU 34 3HD2 LEU 34 -5.197 5.626 -0.752 271 HD22 LEU 34 1HD2 LEU 34 -3.636 6.436 -0.896 272 HD23 LEU 34 2HD2 LEU 34 -3.860 4.824 -1.575 273 H ILE 35 H ILE 35 -8.142 3.976 -4.601 274 HA ILE 35 HA ILE 35 -9.902 3.430 -2.501 275 HB ILE 35 HB ILE 35 -10.643 4.173 -4.726 276 HG12 ILE 35 2HG1 ILE 35 -11.911 1.501 -4.146 277 HG13 ILE 35 1HG1 ILE 35 -12.119 2.880 -3.071 278 HG21 ILE 35 1HG2 ILE 35 -10.450 1.411 -5.805 279 HG22 ILE 35 2HG2 ILE 35 -9.002 2.416 -5.810 280 HG23 ILE 35 3HG2 ILE 35 -10.455 2.959 -6.650 281 HD11 ILE 35 3HD1 ILE 35 -12.789 4.013 -5.408 282 HD12 ILE 35 1HD1 ILE 35 -13.942 3.218 -4.337 283 HD13 ILE 35 2HD1 ILE 35 -13.277 2.347 -5.720 284 H GLU 36 H GLU 36 -7.893 1.302 -4.429 285 HA GLU 36 HA GLU 36 -9.129 -1.129 -3.610 286 HB2 GLU 36 2HB GLU 36 -6.458 -0.486 -4.849 287 HB3 GLU 36 1HB GLU 36 -6.919 -2.128 -4.425 288 HG2 GLU 36 2HG GLU 36 -9.063 -1.493 -5.847 289 HG3 GLU 36 1HG GLU 36 -7.922 -0.371 -6.585 290 H LEU 37 H LEU 37 -6.543 0.865 -2.342 291 HA LEU 37 HA LEU 37 -5.576 -1.058 -0.471 292 HB2 LEU 37 2HB LEU 37 -4.224 0.839 -1.292 293 HB3 LEU 37 1HB LEU 37 -5.293 1.947 -0.454 294 HG LEU 37 HG LEU 37 -4.630 0.856 1.701 295 HD11 LEU 37 1HD1 LEU 37 -3.696 -1.165 0.170 296 HD12 LEU 37 2HD1 LEU 37 -3.179 -0.856 1.829 297 HD13 LEU 37 3HD1 LEU 37 -2.206 -0.272 0.479 298 HD21 LEU 37 3HD2 LEU 37 -2.683 2.291 -0.058 299 HD22 LEU 37 1HD2 LEU 37 -2.215 1.784 1.564 300 HD23 LEU 37 2HD2 LEU 37 -3.576 2.884 1.342 301 H ILE 38 H ILE 38 -7.993 1.488 -0.381 302 HA ILE 38 HA ILE 38 -8.391 1.411 2.442 303 HB ILE 38 HB ILE 38 -10.339 2.376 0.347 304 HG12 ILE 38 2HG1 ILE 38 -8.389 4.112 1.844 305 HG13 ILE 38 1HG1 ILE 38 -7.945 3.355 0.319 306 HG21 ILE 38 1HG2 ILE 38 -11.611 2.483 2.208 307 HG22 ILE 38 2HG2 ILE 38 -10.705 3.972 2.477 308 HG23 ILE 38 3HG2 ILE 38 -10.219 2.484 3.292 309 HD11 ILE 38 3HD1 ILE 38 -10.382 5.077 0.605 310 HD12 ILE 38 1HD1 ILE 38 -9.563 4.571 -0.871 311 HD13 ILE 38 2HD1 ILE 38 -8.792 5.730 0.211 312 H LYS 39 H LYS 39 -9.766 -0.288 -0.297 313 HA LYS 39 HA LYS 39 -11.993 -1.399 1.065 314 HB2 LYS 39 2HB LYS 39 -10.537 -2.110 -1.470 315 HB3 LYS 39 1HB LYS 39 -11.850 -3.109 -0.863 316 HG2 LYS 39 2HG LYS 39 -13.222 -0.942 -0.830 317 HG3 LYS 39 1HG LYS 39 -11.946 -0.289 -1.859 318 HD2 LYS 39 2HD LYS 39 -13.594 -2.752 -2.436 319 HD3 LYS 39 1HD LYS 39 -13.810 -1.168 -3.184 320 HE2 LYS 39 2HE LYS 39 -12.196 -1.565 -4.663 321 HE3 LYS 39 1HE LYS 39 -11.071 -2.053 -3.398 322 HZ1 LYS 39 3HZ LYS 39 -13.134 -3.804 -4.623 323 HZ2 LYS 39 1HZ LYS 39 -12.011 -4.267 -3.444 324 HZ3 LYS 39 2HZ LYS 39 -11.485 -3.833 -4.991 325 H PHE 40 H PHE 40 -8.669 -2.442 0.574 326 HA PHE 40 HA PHE 40 -8.962 -5.076 1.540 327 HB2 PHE 40 2HB PHE 40 -7.005 -4.325 0.242 328 HB3 PHE 40 1HB PHE 40 -6.511 -3.299 1.585 329 HD1 PHE 40 1HD PHE 40 -6.874 -6.768 0.430 330 HD2 PHE 40 2HD PHE 40 -5.424 -4.206 3.502 331 HE1 PHE 40 1HE PHE 40 -5.600 -8.642 1.386 332 HE2 PHE 40 2HE PHE 40 -4.145 -6.075 4.464 333 HZ PHE 40 HZ PHE 40 -4.232 -8.298 3.404 334 H ALA 41 H ALA 41 -8.155 -2.028 3.142 335 HA ALA 41 HA ALA 41 -7.685 -3.194 5.699 336 HB1 ALA 41 1HB ALA 41 -7.829 -0.843 6.514 337 HB2 ALA 41 2HB ALA 41 -8.268 -0.353 4.878 338 HB3 ALA 41 3HB ALA 41 -6.690 -1.075 5.188 339 H LYS 42 H LYS 42 -10.506 -1.966 4.039 340 HA LYS 42 HA LYS 42 -12.235 -1.607 6.199 341 HB2 LYS 42 2HB LYS 42 -12.531 -2.070 3.294 342 HB3 LYS 42 1HB LYS 42 -13.936 -2.465 4.275 343 HG2 LYS 42 2HG LYS 42 -12.564 0.172 4.591 344 HG3 LYS 42 1HG LYS 42 -13.713 -0.095 3.278 345 HD2 LYS 42 2HD LYS 42 -14.617 -0.972 5.938 346 HD3 LYS 42 1HD LYS 42 -14.391 0.770 5.756 347 HE2 LYS 42 2HE LYS 42 -16.126 0.977 4.324 348 HE3 LYS 42 1HE LYS 42 -15.805 -0.574 3.548 349 HZ1 LYS 42 3HZ LYS 42 -17.916 -0.268 4.989 350 HZ2 LYS 42 1HZ LYS 42 -16.865 -0.520 6.291 351 HZ3 LYS 42 2HZ LYS 42 -17.036 -1.708 5.099 352 H SER 43 H SER 43 -11.779 -4.496 4.163 353 HA SER 43 HA SER 43 -13.562 -6.148 5.572 354 HB2 SER 43 2HB SER 43 -12.696 -6.662 3.308 355 HB3 SER 43 1HB SER 43 -11.105 -6.973 4.005 356 HG SER 43 HG SER 43 -11.954 -8.716 5.111 357 H ARG 44 H ARG 44 -10.235 -5.274 6.148 358 HA ARG 44 HA ARG 44 -9.783 -7.335 8.105 359 HB2 ARG 44 2HB ARG 44 -7.974 -6.329 6.697 360 HB3 ARG 44 1HB ARG 44 -8.164 -4.835 7.603 361 HG2 ARG 44 2HG ARG 44 -7.035 -5.614 9.375 362 HG3 ARG 44 1HG ARG 44 -7.749 -7.223 9.253 363 HD2 ARG 44 2HD ARG 44 -6.094 -6.900 6.996 364 HD3 ARG 44 1HD ARG 44 -5.177 -6.310 8.381 365 HE ARG 44 HE ARG 44 -4.962 -8.467 9.082 366 HH11 ARG 44 1HH1 ARG 44 -7.678 -8.296 6.899 367 HH12 ARG 44 2HH1 ARG 44 -7.939 -10.008 6.890 368 HH21 ARG 44 1HH2 ARG 44 -5.303 -10.718 9.071 369 HH22 ARG 44 2HH2 ARG 44 -6.591 -11.383 8.124 370 H GLU 45 H GLU 45 -11.248 -4.249 8.106 371 HA GLU 45 HA GLU 45 -12.172 -2.972 9.743 372 HB2 GLU 45 2HB GLU 45 -11.916 -5.637 11.028 373 HB3 GLU 45 1HB GLU 45 -12.206 -4.269 12.093 374 HG2 GLU 45 2HG GLU 45 -14.100 -3.748 10.336 375 HG3 GLU 45 1HG GLU 45 -13.963 -5.477 10.029 376 H THR 46 H THR 46 -9.838 -2.054 9.258 377 HA THR 46 HA THR 46 -8.815 -1.195 11.811 378 HB THR 46 HB THR 46 -7.504 -3.230 11.541 379 HG1 THR 46 1HG THR 46 -6.499 -1.224 12.319 380 HG21 THR 46 3HG2 THR 46 -6.085 -3.639 9.658 381 HG22 THR 46 1HG2 THR 46 -6.456 -2.061 8.965 382 HG23 THR 46 2HG2 THR 46 -7.702 -3.306 9.037 383 H PHE 47 H PHE 47 -8.042 0.837 11.697 384 HA PHE 47 HA PHE 47 -7.941 2.081 9.049 385 HB2 PHE 47 2HB PHE 47 -7.980 4.227 10.376 386 HB3 PHE 47 1HB PHE 47 -9.413 3.218 10.543 387 HD1 PHE 47 2HD PHE 47 -6.290 4.271 12.202 388 HD2 PHE 47 1HD PHE 47 -10.063 2.350 12.637 389 HE1 PHE 47 2HE PHE 47 -6.019 4.300 14.648 390 HE2 PHE 47 1HE PHE 47 -9.800 2.378 15.083 391 HZ PHE 47 HZ PHE 47 -7.775 3.353 16.091 392 H ILE 48 H ILE 48 -5.763 0.416 10.035 393 HA ILE 48 HA ILE 48 -3.624 2.436 9.963 394 HB ILE 48 HB ILE 48 -3.455 -0.117 11.561 395 HG12 ILE 48 2HG1 ILE 48 -3.367 2.051 13.318 396 HG13 ILE 48 1HG1 ILE 48 -4.686 2.435 12.217 397 HG21 ILE 48 1HG2 ILE 48 -1.583 1.546 12.566 398 HG22 ILE 48 2HG2 ILE 48 -1.596 2.059 10.879 399 HG23 ILE 48 3HG2 ILE 48 -1.275 0.373 11.284 400 HD11 ILE 48 3HD1 ILE 48 -4.870 -0.302 13.018 401 HD12 ILE 48 1HD1 ILE 48 -6.016 1.016 13.263 402 HD13 ILE 48 2HD1 ILE 48 -4.733 0.734 14.439 403 H ILE 49 H ILE 49 -2.164 2.117 8.406 404 HA ILE 49 HA ILE 49 -2.135 -0.503 7.058 405 HB ILE 49 HB ILE 49 -1.305 2.136 5.855 406 HG12 ILE 49 2HG1 ILE 49 -3.919 0.642 5.544 407 HG13 ILE 49 1HG1 ILE 49 -3.705 2.159 6.413 408 HG21 ILE 49 1HG2 ILE 49 -0.323 0.685 4.441 409 HG22 ILE 49 2HG2 ILE 49 -1.956 0.523 3.793 410 HG23 ILE 49 3HG2 ILE 49 -1.342 -0.661 4.945 411 HD11 ILE 49 3HD1 ILE 49 -4.374 1.825 3.738 412 HD12 ILE 49 1HD1 ILE 49 -2.698 2.370 3.728 413 HD13 ILE 49 2HD1 ILE 49 -3.929 3.326 4.549 414 H ASP 50 H ASP 50 -0.523 -1.447 8.303 415 HA ASP 50 HA ASP 50 2.110 -0.140 8.266 416 HB2 ASP 50 2HB ASP 50 2.684 -1.849 10.035 417 HB3 ASP 50 1HB ASP 50 1.452 -0.679 10.500 418 H ASP 51 H ASP 51 3.856 -2.122 8.491 419 HA ASP 51 HA ASP 51 4.162 -3.126 5.921 420 HB2 ASP 51 2HB ASP 51 5.947 -2.904 7.695 421 HB3 ASP 51 1HB ASP 51 5.325 -4.389 8.407 422 H GLU 52 H GLU 52 2.441 -4.446 8.647 423 HA GLU 52 HA GLU 52 2.237 -7.115 7.736 424 HB2 GLU 52 2HB GLU 52 1.617 -5.897 10.050 425 HB3 GLU 52 1HB GLU 52 0.014 -5.975 9.335 426 HG2 GLU 52 2HG GLU 52 1.103 -8.510 8.950 427 HG3 GLU 52 1HG GLU 52 1.576 -8.045 10.583 428 H ILE 53 H ILE 53 0.325 -4.221 7.167 429 HA ILE 53 HA ILE 53 -1.737 -5.648 5.733 430 HB ILE 53 HB ILE 53 -1.285 -2.666 5.784 431 HG12 ILE 53 2HG1 ILE 53 -1.408 -3.549 8.084 432 HG13 ILE 53 1HG1 ILE 53 -2.822 -2.581 7.682 433 HG21 ILE 53 1HG2 ILE 53 -3.964 -3.929 5.614 434 HG22 ILE 53 2HG2 ILE 53 -2.934 -3.986 4.182 435 HG23 ILE 53 3HG2 ILE 53 -3.368 -2.433 4.894 436 HD11 ILE 53 3HD1 ILE 53 -2.888 -5.548 7.360 437 HD12 ILE 53 1HD1 ILE 53 -4.218 -4.418 7.617 438 HD13 ILE 53 2HD1 ILE 53 -3.125 -4.808 8.944 439 H ALA 54 H ALA 54 0.907 -3.421 4.911 440 HA ALA 54 HA ALA 54 0.445 -3.285 2.156 441 HB1 ALA 54 1HB ALA 54 3.202 -3.198 3.332 442 HB2 ALA 54 2HB ALA 54 2.040 -1.902 3.619 443 HB3 ALA 54 3HB ALA 54 2.544 -2.286 1.973 444 H ASN 55 H ASN 55 2.016 -5.717 4.110 445 HA ASN 55 HA ASN 55 3.292 -7.079 1.952 446 HB2 ASN 55 2HB ASN 55 3.880 -7.212 4.441 447 HB3 ASN 55 1HB ASN 55 2.520 -8.319 4.590 448 HD21 ASN 55 1HD2 ASN 55 5.444 -7.795 2.663 449 HD22 ASN 55 2HD2 ASN 55 5.854 -9.467 2.511 450 H GLU 56 H GLU 56 0.451 -7.922 3.941 451 HA GLU 56 HA GLU 56 -0.347 -10.132 2.423 452 HB2 GLU 56 2HB GLU 56 -2.009 -8.259 4.117 453 HB3 GLU 56 1HB GLU 56 -2.572 -9.804 3.495 454 HG2 GLU 56 2HG GLU 56 -0.418 -10.693 4.724 455 HG3 GLU 56 1HG GLU 56 -0.635 -9.219 5.668 456 H PHE 57 H PHE 57 -1.254 -6.719 2.186 457 HA PHE 57 HA PHE 57 -3.212 -7.003 0.191 458 HB2 PHE 57 2HB PHE 57 -2.994 -4.959 1.500 459 HB3 PHE 57 1HB PHE 57 -1.406 -4.655 0.807 460 HD1 PHE 57 2HD PHE 57 -4.947 -5.173 -0.233 461 HD2 PHE 57 1HD PHE 57 -1.233 -3.243 -0.999 462 HE1 PHE 57 2HE PHE 57 -5.994 -3.893 -2.056 463 HE2 PHE 57 1HE PHE 57 -2.272 -1.958 -2.823 464 HZ PHE 57 HZ PHE 57 -4.656 -2.284 -3.353 465 H LEU 58 H LEU 58 0.199 -6.005 -0.122 466 HA LEU 58 HA LEU 58 0.259 -5.927 -2.915 467 HB2 LEU 58 2HB LEU 58 2.433 -6.409 -0.887 468 HB3 LEU 58 1HB LEU 58 2.755 -6.260 -2.603 469 HG LEU 58 HG LEU 58 1.468 -4.121 -0.907 470 HD11 LEU 58 1HD1 LEU 58 3.484 -3.189 -0.531 471 HD12 LEU 58 2HD1 LEU 58 4.141 -3.723 -2.078 472 HD13 LEU 58 3HD1 LEU 58 4.048 -4.848 -0.724 473 HD21 LEU 58 3HD2 LEU 58 2.480 -4.076 -3.747 474 HD22 LEU 58 1HD2 LEU 58 1.863 -2.689 -2.851 475 HD23 LEU 58 2HD2 LEU 58 0.790 -4.032 -3.244 476 H LYS 59 H LYS 59 0.545 -8.598 -0.688 477 HA LYS 59 HA LYS 59 1.480 -10.437 -2.716 478 HB2 LYS 59 2HB LYS 59 0.916 -10.568 0.199 479 HB3 LYS 59 1HB LYS 59 0.800 -12.070 -0.706 480 HG2 LYS 59 2HG LYS 59 3.035 -12.147 -1.142 481 HG3 LYS 59 1HG LYS 59 3.216 -10.392 -1.099 482 HD2 LYS 59 2HD LYS 59 4.312 -11.201 0.832 483 HD3 LYS 59 1HD LYS 59 2.771 -10.545 1.393 484 HE2 LYS 59 2HE LYS 59 2.097 -12.531 2.154 485 HE3 LYS 59 1HE LYS 59 2.569 -13.347 0.664 486 HZ1 LYS 59 3HZ LYS 59 4.481 -12.584 2.801 487 HZ2 LYS 59 1HZ LYS 59 4.788 -13.558 1.452 488 HZ3 LYS 59 2HZ LYS 59 3.768 -14.112 2.681 489 H SER 60 H SER 60 -1.543 -9.497 -1.254 490 HA SER 60 HA SER 60 -3.060 -11.735 -2.143 491 HB2 SER 60 2HB SER 60 -3.703 -10.161 -0.272 492 HB3 SER 60 1HB SER 60 -4.120 -8.976 -1.509 493 HG SER 60 HG SER 60 -5.796 -10.553 -0.617 494 H ILE 61 H ILE 61 -2.375 -8.540 -3.473 495 HA ILE 61 HA ILE 61 -4.138 -8.894 -5.721 496 HB ILE 61 HB ILE 61 -3.193 -6.791 -6.555 497 HG12 ILE 61 2HG1 ILE 61 -1.400 -6.937 -4.120 498 HG13 ILE 61 1HG1 ILE 61 -0.875 -7.129 -5.790 499 HG21 ILE 61 1HG2 ILE 61 -3.622 -5.522 -4.219 500 HG22 ILE 61 2HG2 ILE 61 -4.325 -7.097 -3.855 501 HG23 ILE 61 3HG2 ILE 61 -4.910 -6.169 -5.235 502 HD11 ILE 61 3HD1 ILE 61 -0.459 -4.884 -4.738 503 HD12 ILE 61 1HD1 ILE 61 -2.205 -4.635 -4.783 504 HD13 ILE 61 2HD1 ILE 61 -1.309 -4.867 -6.284 505 H GLY 62 H GLY 62 -0.756 -9.414 -5.029 506 HA2 GLY 62 2HA GLY 62 0.454 -11.053 -6.324 507 HA3 GLY 62 1HA GLY 62 -0.449 -10.531 -7.739 508 H ALA 63 H ALA 63 0.895 -8.246 -5.476 509 HA ALA 63 HA ALA 63 2.348 -6.912 -7.531 510 HB1 ALA 63 1HB ALA 63 2.853 -5.285 -5.931 511 HB2 ALA 63 2HB ALA 63 2.737 -6.431 -4.596 512 HB3 ALA 63 3HB ALA 63 1.279 -5.903 -5.433 513 H GLU 64 H GLU 64 4.706 -6.129 -6.343 514 HA GLU 64 HA GLU 64 6.889 -6.707 -6.083 515 HB2 GLU 64 2HB GLU 64 5.538 -8.328 -4.334 516 HB3 GLU 64 1HB GLU 64 6.426 -9.501 -5.296 517 HG2 GLU 64 2HG GLU 64 8.126 -7.302 -4.549 518 HG3 GLU 64 1HG GLU 64 7.363 -8.017 -3.130 519 H VAL 65 H VAL 65 7.373 -6.636 -8.272 520 HA VAL 65 HA VAL 65 7.914 -9.242 -9.471 521 HB VAL 65 HB VAL 65 7.061 -8.434 -11.688 522 HG11 VAL 65 1HG1 VAL 65 4.971 -9.329 -11.344 523 HG12 VAL 65 2HG1 VAL 65 4.755 -8.506 -9.799 524 HG13 VAL 65 3HG1 VAL 65 5.824 -9.904 -9.911 525 HG21 VAL 65 3HG2 VAL 65 5.108 -6.668 -11.190 526 HG22 VAL 65 1HG2 VAL 65 6.728 -6.193 -11.698 527 HG23 VAL 65 2HG2 VAL 65 6.288 -6.139 -9.991 528 H GLU 66 H GLU 66 10.099 -8.717 -9.014 529 HA GLU 66 HA GLU 66 11.256 -6.384 -10.305 530 HB2 GLU 66 2HB GLU 66 13.391 -7.268 -9.276 531 HB3 GLU 66 1HB GLU 66 12.127 -6.819 -8.140 532 HG2 GLU 66 2HG GLU 66 11.579 -9.076 -7.710 533 HG3 GLU 66 1HG GLU 66 12.547 -9.641 -9.070 534 H LEU 67 H LEU 67 11.982 -6.426 -12.318 535 HA LEU 67 HA LEU 67 12.764 -7.153 -14.326 536 HB2 LEU 67 2HB LEU 67 14.164 -8.871 -12.350 537 HB3 LEU 67 1HB LEU 67 14.246 -9.357 -14.034 538 HG LEU 67 HG LEU 67 15.118 -7.053 -14.561 539 HD11 LEU 67 1HD1 LEU 67 16.017 -5.725 -12.749 540 HD12 LEU 67 2HD1 LEU 67 15.424 -6.891 -11.566 541 HD13 LEU 67 3HD1 LEU 67 14.282 -5.950 -12.530 542 HD21 LEU 67 3HD2 LEU 67 16.598 -9.002 -12.833 543 HD22 LEU 67 1HD2 LEU 67 17.385 -7.548 -13.448 544 HD23 LEU 67 2HD2 LEU 67 16.724 -8.738 -14.572 545 HA PRO 68 HA PRO 68 9.411 -10.151 -15.014 546 HB2 PRO 68 2HB PRO 68 8.958 -9.438 -17.594 547 HB3 PRO 68 1HB PRO 68 8.303 -8.539 -16.220 548 HG2 PRO 68 2HG PRO 68 10.714 -7.950 -17.893 549 HG3 PRO 68 1HG PRO 68 9.464 -6.841 -17.303 550 HD2 PRO 68 2HD PRO 68 11.883 -7.072 -16.113 551 HD3 PRO 68 1HD PRO 68 10.407 -6.696 -15.203 552 H GLN 69 H GLN 69 9.157 -11.970 -16.457 553 HA GLN 69 HA GLN 69 11.674 -12.766 -17.769 554 HB2 GLN 69 2HB GLN 69 10.908 -15.142 -17.203 555 HB3 GLN 69 1HB GLN 69 11.525 -14.159 -15.883 556 HG2 GLN 69 2HG GLN 69 9.157 -13.599 -15.307 557 HG3 GLN 69 1HG GLN 69 8.653 -14.790 -16.505 558 HE21 GLN 69 1HE2 GLN 69 10.863 -14.505 -13.742 559 HE22 GLN 69 2HE2 GLN 69 10.511 -16.061 -13.080 560 H GLU 70 H GLU 70 10.777 -11.847 -19.723 561 HA GLU 70 HA GLU 70 8.924 -13.711 -21.038 562 HB2 GLU 70 2HB GLU 70 8.083 -11.273 -20.314 563 HB3 GLU 70 1HB GLU 70 8.826 -10.855 -21.851 564 HG2 GLU 70 2HG GLU 70 6.532 -11.268 -22.263 565 HG3 GLU 70 1HG GLU 70 7.434 -12.634 -22.914 566 H ILE 71 H ILE 71 9.079 -13.681 -23.405 567 HA ILE 71 HA ILE 71 11.811 -13.008 -24.282 568 HB ILE 71 HB ILE 71 11.594 -14.812 -25.944 569 HG12 ILE 71 2HG1 ILE 71 9.494 -16.358 -24.873 570 HG13 ILE 71 1HG1 ILE 71 8.842 -14.736 -25.075 571 HG21 ILE 71 1HG2 ILE 71 10.964 -16.220 -23.430 572 HG22 ILE 71 2HG2 ILE 71 12.270 -15.037 -23.357 573 HG23 ILE 71 3HG2 ILE 71 12.354 -16.375 -24.504 574 HD11 ILE 71 3HD1 ILE 71 8.369 -15.637 -27.111 575 HD12 ILE 71 1HD1 ILE 71 9.803 -16.665 -27.115 576 HD13 ILE 71 2HD1 ILE 71 9.954 -14.939 -27.443 577 H LYS 72 H LYS 72 9.499 -11.234 -24.353 578 HA LYS 72 HA LYS 72 8.539 -11.120 -27.049 579 HB2 LYS 72 2HB LYS 72 7.208 -10.257 -25.176 580 HB3 LYS 72 1HB LYS 72 8.442 -9.049 -24.847 581 HG2 LYS 72 2HG LYS 72 7.998 -7.924 -26.900 582 HG3 LYS 72 1HG LYS 72 6.939 -9.225 -27.446 583 HD2 LYS 72 2HD LYS 72 6.202 -8.036 -24.862 584 HD3 LYS 72 1HD LYS 72 6.086 -6.942 -26.243 585 HE2 LYS 72 2HE LYS 72 4.933 -9.179 -27.253 586 HE3 LYS 72 1HE LYS 72 4.478 -9.307 -25.555 587 HZ1 LYS 72 3HZ LYS 72 4.041 -6.874 -27.195 588 HZ2 LYS 72 1HZ LYS 72 3.439 -7.186 -25.645 589 HZ3 LYS 72 2HZ LYS 72 2.871 -8.073 -26.967 Start of MODEL 19 1 H MET 1 H MET 1 6.558 15.848 -1.364 2 HA MET 1 HA MET 1 4.017 15.853 -2.832 3 HB2 MET 1 2HB MET 1 6.587 15.731 -3.700 4 HB3 MET 1 1HB MET 1 6.261 14.023 -3.437 5 HG2 MET 1 2HG MET 1 4.107 14.499 -4.808 6 HG3 MET 1 1HG MET 1 4.997 15.917 -5.361 7 HE1 MET 1 2HE MET 1 4.183 14.183 -7.725 8 HE2 MET 1 3HE MET 1 3.842 12.897 -6.569 9 HE3 MET 1 1HE MET 1 4.960 12.611 -7.902 10 H ASP 2 H ASP 2 2.753 14.961 -1.152 11 HA ASP 2 HA ASP 2 3.260 12.108 -0.717 12 HB2 ASP 2 2HB ASP 2 2.962 14.217 1.365 13 HB3 ASP 2 1HB ASP 2 2.200 12.659 1.668 14 H GLU 3 H GLU 3 1.606 12.584 -2.605 15 HA GLU 3 HA GLU 3 -1.059 13.248 -1.894 16 HB2 GLU 3 2HB GLU 3 0.162 11.859 -4.269 17 HB3 GLU 3 1HB GLU 3 -1.576 12.074 -4.119 18 HG2 GLU 3 2HG GLU 3 -1.453 14.360 -4.362 19 HG3 GLU 3 1HG GLU 3 0.232 14.429 -3.844 20 H PHE 4 H PHE 4 0.775 10.281 -1.875 21 HA PHE 4 HA PHE 4 -1.306 8.418 -1.814 22 HB2 PHE 4 2HB PHE 4 1.108 7.862 -2.075 23 HB3 PHE 4 1HB PHE 4 1.347 8.229 -0.371 24 HD1 PHE 4 2HD PHE 4 -1.411 6.384 -2.051 25 HD2 PHE 4 1HD PHE 4 1.890 6.216 0.629 26 HE1 PHE 4 2HE PHE 4 -2.002 4.067 -1.474 27 HE2 PHE 4 1HE PHE 4 1.306 3.898 1.211 28 HZ PHE 4 HZ PHE 4 -0.643 2.821 0.159 29 H VAL 5 H VAL 5 0.447 9.881 0.927 30 HA VAL 5 HA VAL 5 -1.230 8.746 2.908 31 HB VAL 5 HB VAL 5 0.431 11.252 3.187 32 HG11 VAL 5 1HG1 VAL 5 0.600 9.980 5.550 33 HG12 VAL 5 2HG1 VAL 5 -1.010 9.471 5.046 34 HG13 VAL 5 3HG1 VAL 5 -0.630 11.187 5.181 35 HG21 VAL 5 3HG2 VAL 5 1.211 8.402 2.984 36 HG22 VAL 5 1HG2 VAL 5 2.022 9.374 4.212 37 HG23 VAL 5 2HG2 VAL 5 2.092 9.856 2.516 38 H LYS 6 H LYS 6 -1.364 11.699 1.041 39 HA LYS 6 HA LYS 6 -3.207 13.131 2.597 40 HB2 LYS 6 2HB LYS 6 -1.810 13.691 0.364 41 HB3 LYS 6 1HB LYS 6 -3.388 13.392 -0.351 42 HG2 LYS 6 2HG LYS 6 -4.385 15.107 1.009 43 HG3 LYS 6 1HG LYS 6 -2.868 15.346 1.879 44 HD2 LYS 6 2HD LYS 6 -2.688 15.585 -1.049 45 HD3 LYS 6 1HD LYS 6 -3.661 16.823 -0.251 46 HE2 LYS 6 2HE LYS 6 -1.680 17.074 1.354 47 HE3 LYS 6 1HE LYS 6 -0.760 16.162 0.157 48 HZ1 LYS 6 3HZ LYS 6 -0.389 18.354 -0.426 49 HZ2 LYS 6 1HZ LYS 6 -1.976 18.837 -0.096 50 HZ3 LYS 6 2HZ LYS 6 -1.642 17.914 -1.473 51 H GLY 7 H GLY 7 -3.742 10.976 -0.191 52 HA2 GLY 7 2HA GLY 7 -6.532 11.173 -0.267 53 HA3 GLY 7 1HA GLY 7 -5.599 9.806 -0.860 54 H LEU 8 H LEU 8 -4.454 9.018 1.611 55 HA LEU 8 HA LEU 8 -6.604 7.454 2.644 56 HB2 LEU 8 2HB LEU 8 -3.735 7.799 3.497 57 HB3 LEU 8 1HB LEU 8 -4.846 6.715 4.314 58 HG LEU 8 HG LEU 8 -4.497 6.413 1.369 59 HD11 LEU 8 1HD1 LEU 8 -2.240 6.591 2.803 60 HD12 LEU 8 2HD1 LEU 8 -2.432 5.502 1.429 61 HD13 LEU 8 3HD1 LEU 8 -2.628 4.892 3.073 62 HD21 LEU 8 3HD2 LEU 8 -4.534 4.140 3.250 63 HD22 LEU 8 1HD2 LEU 8 -5.364 4.354 1.708 64 HD23 LEU 8 2HD2 LEU 8 -6.004 5.111 3.167 65 H MET 9 H MET 9 -4.847 10.293 3.749 66 HA MET 9 HA MET 9 -5.883 10.356 6.375 67 HB2 MET 9 2HB MET 9 -3.911 11.684 5.244 68 HB3 MET 9 1HB MET 9 -5.169 12.870 4.920 69 HG2 MET 9 2HG MET 9 -3.992 13.418 6.955 70 HG3 MET 9 1HG MET 9 -5.667 12.996 7.308 71 HE1 MET 9 3HE MET 9 -1.796 11.177 8.441 72 HE2 MET 9 1HE MET 9 -2.208 11.873 6.873 73 HE3 MET 9 2HE MET 9 -2.382 10.138 7.142 74 H LYS 10 H LYS 10 -7.146 11.394 3.302 75 HA LYS 10 HA LYS 10 -9.084 13.220 4.153 76 HB2 LYS 10 2HB LYS 10 -8.619 11.570 1.749 77 HB3 LYS 10 1HB LYS 10 -10.287 12.063 2.007 78 HG2 LYS 10 2HG LYS 10 -9.836 14.061 1.177 79 HG3 LYS 10 1HG LYS 10 -8.629 14.326 2.435 80 HD2 LYS 10 2HD LYS 10 -7.223 14.470 0.672 81 HD3 LYS 10 1HD LYS 10 -7.244 12.710 0.782 82 HE2 LYS 10 2HE LYS 10 -7.872 12.753 -1.363 83 HE3 LYS 10 1HE LYS 10 -9.455 13.234 -0.752 84 HZ1 LYS 10 3HZ LYS 10 -7.374 15.247 -1.328 85 HZ2 LYS 10 1HZ LYS 10 -9.051 15.454 -1.231 86 HZ3 LYS 10 2HZ LYS 10 -8.372 14.656 -2.559 87 H ASN 11 H ASN 11 -9.156 9.700 3.945 88 HA ASN 11 HA ASN 11 -11.916 9.617 4.864 89 HB2 ASN 11 2HB ASN 11 -9.997 7.362 4.239 90 HB3 ASN 11 1HB ASN 11 -11.715 7.184 4.583 91 HD21 ASN 11 1HD2 ASN 11 -13.170 7.501 2.995 92 HD22 ASN 11 2HD2 ASN 11 -12.761 7.914 1.368 93 H GLY 12 H GLY 12 -8.682 9.162 6.083 94 HA2 GLY 12 2HA GLY 12 -8.383 9.556 8.483 95 HA3 GLY 12 1HA GLY 12 -9.838 8.605 8.744 96 H TYR 13 H TYR 13 -7.205 7.828 6.532 97 HA TYR 13 HA TYR 13 -6.748 5.368 8.074 98 HB2 TYR 13 2HB TYR 13 -6.525 6.051 5.169 99 HB3 TYR 13 1HB TYR 13 -5.536 4.749 5.822 100 HD1 TYR 13 1HD TYR 13 -6.612 2.733 6.768 101 HD2 TYR 13 2HD TYR 13 -8.880 5.781 4.853 102 HE1 TYR 13 1HE TYR 13 -8.508 1.181 6.555 103 HE2 TYR 13 2HE TYR 13 -10.782 4.237 4.636 104 HH TYR 13 HH TYR 13 -11.256 1.654 6.314 105 H LEU 14 H LEU 14 -4.697 4.743 8.677 106 HA LEU 14 HA LEU 14 -2.600 6.790 8.368 107 HB2 LEU 14 2HB LEU 14 -2.932 4.827 10.637 108 HB3 LEU 14 1HB LEU 14 -1.712 6.080 10.517 109 HG LEU 14 HG LEU 14 -4.684 6.500 10.845 110 HD11 LEU 14 1HD1 LEU 14 -4.323 6.863 13.039 111 HD12 LEU 14 2HD1 LEU 14 -2.732 7.576 12.771 112 HD13 LEU 14 3HD1 LEU 14 -2.925 5.822 12.765 113 HD21 LEU 14 3HD2 LEU 14 -4.033 8.902 11.086 114 HD22 LEU 14 1HD2 LEU 14 -3.857 8.255 9.454 115 HD23 LEU 14 2HD2 LEU 14 -2.436 8.471 10.475 116 H ILE 15 H ILE 15 -0.376 5.987 8.364 117 HA ILE 15 HA ILE 15 0.011 3.182 7.724 118 HB ILE 15 HB ILE 15 -0.584 4.155 5.549 119 HG12 ILE 15 2HG1 ILE 15 2.375 3.548 5.653 120 HG13 ILE 15 1HG1 ILE 15 1.124 2.315 5.784 121 HG21 ILE 15 1HG2 ILE 15 0.298 6.040 4.679 122 HG22 ILE 15 2HG2 ILE 15 1.896 5.740 5.365 123 HG23 ILE 15 3HG2 ILE 15 0.614 6.413 6.374 124 HD11 ILE 15 3HD1 ILE 15 0.582 2.436 3.585 125 HD12 ILE 15 1HD1 ILE 15 2.280 2.901 3.490 126 HD13 ILE 15 2HD1 ILE 15 1.026 4.139 3.452 127 H THR 16 H THR 16 1.878 2.497 8.546 128 HA THR 16 HA THR 16 3.605 4.220 9.964 129 HB THR 16 HB THR 16 4.948 2.304 10.435 130 HG1 THR 16 1HG THR 16 3.582 0.952 8.328 131 HG21 THR 16 3HG2 THR 16 2.424 0.817 10.195 132 HG22 THR 16 1HG2 THR 16 2.288 2.387 10.988 133 HG23 THR 16 2HG2 THR 16 3.399 1.173 11.621 134 HA PRO 17 HA PRO 17 6.473 5.645 6.936 135 HB2 PRO 17 2HB PRO 17 8.816 5.571 8.350 136 HB3 PRO 17 1HB PRO 17 7.585 6.820 8.554 137 HG2 PRO 17 2HG PRO 17 8.090 4.373 10.199 138 HG3 PRO 17 1HG PRO 17 7.702 6.020 10.731 139 HD2 PRO 17 2HD PRO 17 5.846 4.074 10.663 140 HD3 PRO 17 1HD PRO 17 5.444 5.763 10.294 141 H SER 18 H SER 18 7.093 2.619 8.576 142 HA SER 18 HA SER 18 9.227 1.762 6.898 143 HB2 SER 18 2HB SER 18 8.842 0.825 9.153 144 HB3 SER 18 1HB SER 18 7.340 0.098 8.582 145 HG SER 18 HG SER 18 9.847 -0.430 7.379 146 H ALA 19 H ALA 19 5.730 1.411 6.813 147 HA ALA 19 HA ALA 19 5.827 -0.355 4.515 148 HB1 ALA 19 1HB ALA 19 3.467 0.903 5.910 149 HB2 ALA 19 2HB ALA 19 4.118 -0.707 6.220 150 HB3 ALA 19 3HB ALA 19 3.387 -0.337 4.658 151 H TYR 20 H TYR 20 5.278 3.020 5.223 152 HA TYR 20 HA TYR 20 4.061 3.806 2.823 153 HB2 TYR 20 2HB TYR 20 4.155 5.264 4.782 154 HB3 TYR 20 1HB TYR 20 5.906 5.377 4.637 155 HD1 TYR 20 2HD TYR 20 2.799 6.050 2.678 156 HD2 TYR 20 1HD TYR 20 6.821 7.171 3.495 157 HE1 TYR 20 2HE TYR 20 2.544 8.009 1.214 158 HE2 TYR 20 1HE TYR 20 6.577 9.134 2.034 159 HH TYR 20 HH TYR 20 5.140 9.822 0.099 160 H TYR 21 H TYR 21 7.481 3.580 3.724 161 HA TYR 21 HA TYR 21 8.592 4.685 1.420 162 HB2 TYR 21 2HB TYR 21 9.537 2.849 3.551 163 HB3 TYR 21 1HB TYR 21 10.480 2.883 2.067 164 HD1 TYR 21 2HD TYR 21 8.841 5.370 4.337 165 HD2 TYR 21 1HD TYR 21 12.291 4.301 2.089 166 HE1 TYR 21 2HE TYR 21 9.971 7.412 5.112 167 HE2 TYR 21 1HE TYR 21 13.430 6.339 2.858 168 HH TYR 21 HH TYR 21 13.326 7.944 4.647 169 H LEU 22 H LEU 22 7.166 1.564 1.959 170 HA LEU 22 HA LEU 22 8.214 0.499 -0.542 171 HB2 LEU 22 2HB LEU 22 6.334 -0.748 1.465 172 HB3 LEU 22 1HB LEU 22 7.062 -1.566 0.095 173 HG LEU 22 HG LEU 22 8.879 -0.301 2.086 174 HD11 LEU 22 1HD1 LEU 22 8.703 -2.750 3.144 175 HD12 LEU 22 2HD1 LEU 22 7.025 -2.530 2.646 176 HD13 LEU 22 3HD1 LEU 22 7.778 -1.372 3.743 177 HD21 LEU 22 3HD2 LEU 22 9.927 -1.284 0.207 178 HD22 LEU 22 1HD2 LEU 22 8.930 -2.735 0.321 179 HD23 LEU 22 2HD2 LEU 22 10.157 -2.410 1.545 180 H LEU 23 H LEU 23 5.061 1.249 0.922 181 HA LEU 23 HA LEU 23 3.542 0.634 -1.385 182 HB2 LEU 23 2HB LEU 23 2.962 2.297 1.055 183 HB3 LEU 23 1HB LEU 23 1.783 2.062 -0.221 184 HG LEU 23 HG LEU 23 3.012 -0.134 1.448 185 HD11 LEU 23 1HD1 LEU 23 0.564 1.500 1.707 186 HD12 LEU 23 2HD1 LEU 23 1.545 0.716 2.946 187 HD13 LEU 23 3HD1 LEU 23 0.398 -0.233 1.999 188 HD21 LEU 23 3HD2 LEU 23 0.874 -1.257 0.306 189 HD22 LEU 23 1HD2 LEU 23 2.481 -1.307 -0.417 190 HD23 LEU 23 2HD2 LEU 23 1.304 -0.114 -0.967 191 H VAL 24 H VAL 24 5.260 3.479 -0.349 192 HA VAL 24 HA VAL 24 4.006 5.440 -1.879 193 HB VAL 24 HB VAL 24 5.700 5.957 -0.183 194 HG11 VAL 24 1HG1 VAL 24 7.895 5.279 -2.079 195 HG12 VAL 24 2HG1 VAL 24 7.194 3.999 -1.090 196 HG13 VAL 24 3HG1 VAL 24 7.924 5.409 -0.321 197 HG21 VAL 24 3HG2 VAL 24 6.226 6.965 -2.968 198 HG22 VAL 24 1HG2 VAL 24 6.997 7.647 -1.536 199 HG23 VAL 24 2HG2 VAL 24 5.244 7.711 -1.708 200 H GLY 25 H GLY 25 6.232 2.922 -2.818 201 HA2 GLY 25 2HA GLY 25 6.682 4.097 -5.443 202 HA3 GLY 25 1HA GLY 25 7.374 2.600 -4.840 203 H HIS 26 H HIS 26 4.992 1.317 -4.051 204 HA HIS 26 HA HIS 26 4.172 0.225 -6.537 205 HB2 HIS 26 2HB HIS 26 4.162 -0.677 -3.976 206 HB3 HIS 26 1HB HIS 26 2.459 -0.286 -4.184 207 HD1 HIS 26 1HD HIS 26 5.101 -2.172 -6.187 208 HD2 HIS 26 2HD HIS 26 1.083 -2.393 -5.150 209 HE1 HIS 26 1HE HIS 26 4.258 -4.305 -7.217 210 HE2 HIS 26 2HE HIS 26 1.837 -4.446 -6.533 211 H PHE 27 H PHE 27 3.144 2.969 -4.836 212 HA PHE 27 HA PHE 27 0.473 2.919 -6.039 213 HB2 PHE 27 2HB PHE 27 0.622 3.487 -3.648 214 HB3 PHE 27 1HB PHE 27 1.669 4.848 -4.037 215 HD1 PHE 27 2HD PHE 27 -1.721 3.480 -4.727 216 HD2 PHE 27 1HD PHE 27 0.750 6.932 -4.437 217 HE1 PHE 27 2HE PHE 27 -3.698 4.915 -5.005 218 HE2 PHE 27 1HE PHE 27 -1.223 8.375 -4.714 219 HZ PHE 27 HZ PHE 27 -3.452 7.367 -4.998 220 H ASN 28 H ASN 28 3.284 5.091 -5.758 221 HA ASN 28 HA ASN 28 2.410 7.049 -7.543 222 HB2 ASN 28 2HB ASN 28 4.581 6.783 -5.957 223 HB3 ASN 28 1HB ASN 28 5.312 6.459 -7.525 224 HD21 ASN 28 1HD2 ASN 28 6.421 8.498 -6.688 225 HD22 ASN 28 2HD2 ASN 28 5.741 9.996 -7.217 226 H GLU 29 H GLU 29 4.193 4.055 -8.119 227 HA GLU 29 HA GLU 29 4.804 4.458 -10.818 228 HB2 GLU 29 2HB GLU 29 5.458 2.553 -9.098 229 HB3 GLU 29 1HB GLU 29 4.107 1.720 -9.858 230 HG2 GLU 29 2HG GLU 29 5.209 2.140 -12.065 231 HG3 GLU 29 1HG GLU 29 6.613 2.731 -11.177 232 H GLY 30 H GLY 30 1.846 3.490 -9.247 233 HA2 GLY 30 2HA GLY 30 -0.277 3.797 -10.272 234 HA3 GLY 30 1HA GLY 30 0.489 3.631 -11.845 235 H LYS 31 H LYS 31 0.778 1.509 -9.023 236 HA LYS 31 HA LYS 31 -0.029 -0.735 -10.707 237 HB2 LYS 31 2HB LYS 31 2.056 -0.690 -9.175 238 HB3 LYS 31 1HB LYS 31 0.915 -0.954 -7.862 239 HG2 LYS 31 2HG LYS 31 1.308 -3.117 -8.277 240 HG3 LYS 31 1HG LYS 31 0.145 -2.890 -9.584 241 HD2 LYS 31 2HD LYS 31 2.195 -2.206 -10.992 242 HD3 LYS 31 1HD LYS 31 3.141 -2.976 -9.716 243 HE2 LYS 31 2HE LYS 31 0.860 -4.524 -10.779 244 HE3 LYS 31 1HE LYS 31 2.217 -4.281 -11.878 245 HZ1 LYS 31 3HZ LYS 31 2.899 -5.113 -9.178 246 HZ2 LYS 31 1HZ LYS 31 3.553 -5.601 -10.661 247 HZ3 LYS 31 2HZ LYS 31 2.095 -6.266 -10.119 248 H PHE 32 H PHE 32 -0.650 0.166 -7.307 249 HA PHE 32 HA PHE 32 -3.347 -0.962 -7.604 250 HB2 PHE 32 2HB PHE 32 -3.368 -1.370 -5.265 251 HB3 PHE 32 1HB PHE 32 -1.780 -1.878 -5.829 252 HD1 PHE 32 1HD PHE 32 0.156 -0.236 -5.532 253 HD2 PHE 32 2HD PHE 32 -3.580 0.160 -3.534 254 HE1 PHE 32 1HE PHE 32 1.213 1.220 -3.853 255 HE2 PHE 32 2HE PHE 32 -2.531 1.618 -1.853 256 HZ PHE 32 HZ PHE 32 -0.131 2.149 -2.010 257 H SER 33 H SER 33 -5.157 0.216 -7.136 258 HA SER 33 HA SER 33 -4.810 3.097 -7.063 259 HB2 SER 33 2HB SER 33 -7.508 2.729 -7.058 260 HB3 SER 33 1HB SER 33 -6.522 2.783 -8.519 261 HG SER 33 HG SER 33 -6.813 0.708 -8.797 262 H LEU 34 H LEU 34 -6.144 4.425 -5.604 263 HA LEU 34 HA LEU 34 -5.675 3.808 -2.916 264 HB2 LEU 34 2HB LEU 34 -7.312 5.865 -4.336 265 HB3 LEU 34 1HB LEU 34 -7.482 5.692 -2.599 266 HG LEU 34 HG LEU 34 -4.886 6.275 -4.028 267 HD11 LEU 34 1HD1 LEU 34 -6.263 8.192 -4.237 268 HD12 LEU 34 2HD1 LEU 34 -5.153 8.507 -2.905 269 HD13 LEU 34 3HD1 LEU 34 -6.824 8.057 -2.570 270 HD21 LEU 34 3HD2 LEU 34 -4.447 6.974 -1.490 271 HD22 LEU 34 1HD2 LEU 34 -4.119 5.353 -2.104 272 HD23 LEU 34 2HD2 LEU 34 -5.611 5.676 -1.223 273 H ILE 35 H ILE 35 -8.662 3.639 -4.825 274 HA ILE 35 HA ILE 35 -10.453 2.937 -2.841 275 HB ILE 35 HB ILE 35 -11.119 3.433 -5.153 276 HG12 ILE 35 2HG1 ILE 35 -12.076 0.659 -4.459 277 HG13 ILE 35 1HG1 ILE 35 -12.545 2.073 -3.520 278 HG21 ILE 35 1HG2 ILE 35 -9.314 2.180 -6.268 279 HG22 ILE 35 2HG2 ILE 35 -10.908 1.791 -6.914 280 HG23 ILE 35 3HG2 ILE 35 -10.106 0.672 -5.812 281 HD11 ILE 35 3HD1 ILE 35 -13.778 2.973 -5.266 282 HD12 ILE 35 1HD1 ILE 35 -14.116 1.245 -5.362 283 HD13 ILE 35 2HD1 ILE 35 -12.965 1.982 -6.478 284 H GLU 36 H GLU 36 -8.144 0.907 -4.559 285 HA GLU 36 HA GLU 36 -9.120 -1.572 -3.571 286 HB2 GLU 36 2HB GLU 36 -6.432 -0.777 -4.698 287 HB3 GLU 36 1HB GLU 36 -6.865 -2.431 -4.287 288 HG2 GLU 36 2HG GLU 36 -8.943 -1.546 -5.901 289 HG3 GLU 36 1HG GLU 36 -7.486 -0.891 -6.645 290 H LEU 37 H LEU 37 -6.892 0.826 -2.357 291 HA LEU 37 HA LEU 37 -5.745 -0.824 -0.327 292 HB2 LEU 37 2HB LEU 37 -4.817 1.343 -1.372 293 HB3 LEU 37 1HB LEU 37 -5.866 2.176 -0.239 294 HG LEU 37 HG LEU 37 -4.702 1.125 1.640 295 HD11 LEU 37 1HD1 LEU 37 -3.071 -0.183 -0.525 296 HD12 LEU 37 2HD1 LEU 37 -4.045 -0.969 0.718 297 HD13 LEU 37 3HD1 LEU 37 -2.575 -0.102 1.166 298 HD21 LEU 37 3HD2 LEU 37 -2.326 2.097 0.955 299 HD22 LEU 37 1HD2 LEU 37 -3.706 3.141 1.291 300 HD23 LEU 37 2HD2 LEU 37 -3.272 2.764 -0.376 301 H ILE 38 H ILE 38 -8.431 1.455 -0.468 302 HA ILE 38 HA ILE 38 -8.946 1.511 2.320 303 HB ILE 38 HB ILE 38 -10.939 2.010 0.108 304 HG12 ILE 38 2HG1 ILE 38 -8.948 3.369 -0.270 305 HG13 ILE 38 1HG1 ILE 38 -10.275 4.382 0.288 306 HG21 ILE 38 1HG2 ILE 38 -10.821 2.752 3.016 307 HG22 ILE 38 2HG2 ILE 38 -12.088 1.880 2.153 308 HG23 ILE 38 3HG2 ILE 38 -11.852 3.605 1.868 309 HD11 ILE 38 3HD1 ILE 38 -8.012 3.369 1.994 310 HD12 ILE 38 1HD1 ILE 38 -9.324 4.425 2.520 311 HD13 ILE 38 2HD1 ILE 38 -8.157 4.995 1.327 312 H LYS 39 H LYS 39 -10.183 -0.463 -0.338 313 HA LYS 39 HA LYS 39 -12.212 -1.785 1.077 314 HB2 LYS 39 2HB LYS 39 -10.771 -2.170 -1.458 315 HB3 LYS 39 1HB LYS 39 -11.398 -3.652 -0.750 316 HG2 LYS 39 2HG LYS 39 -13.046 -2.830 -2.235 317 HG3 LYS 39 1HG LYS 39 -13.630 -2.528 -0.597 318 HD2 LYS 39 2HD LYS 39 -12.807 -0.204 -0.771 319 HD3 LYS 39 1HD LYS 39 -12.329 -0.524 -2.440 320 HE2 LYS 39 2HE LYS 39 -14.437 0.558 -2.528 321 HE3 LYS 39 1HE LYS 39 -14.722 -1.143 -2.895 322 HZ1 LYS 39 3HZ LYS 39 -15.887 -1.448 -1.007 323 HZ2 LYS 39 1HZ LYS 39 -16.146 0.220 -1.125 324 HZ3 LYS 39 2HZ LYS 39 -14.943 -0.379 -0.099 325 H PHE 40 H PHE 40 -8.796 -2.597 0.597 326 HA PHE 40 HA PHE 40 -8.814 -5.098 1.852 327 HB2 PHE 40 2HB PHE 40 -6.945 -3.864 0.491 328 HB3 PHE 40 1HB PHE 40 -6.447 -3.273 2.073 329 HD1 PHE 40 2HD PHE 40 -6.969 -6.310 0.045 330 HD2 PHE 40 1HD PHE 40 -5.295 -4.662 3.593 331 HE1 PHE 40 2HE PHE 40 -5.743 -8.407 0.435 332 HE2 PHE 40 1HE PHE 40 -4.065 -6.756 3.989 333 HZ PHE 40 HZ PHE 40 -4.289 -8.632 2.409 334 H ALA 41 H ALA 41 -7.776 -1.968 3.219 335 HA ALA 41 HA ALA 41 -7.499 -2.894 5.856 336 HB1 ALA 41 1HB ALA 41 -6.472 -0.826 5.077 337 HB2 ALA 41 2HB ALA 41 -7.480 -0.532 6.492 338 HB3 ALA 41 3HB ALA 41 -8.064 -0.094 4.888 339 H LYS 42 H LYS 42 -10.236 -1.458 4.149 340 HA LYS 42 HA LYS 42 -11.940 -1.096 6.339 341 HB2 LYS 42 2HB LYS 42 -12.379 -0.138 4.122 342 HB3 LYS 42 1HB LYS 42 -12.655 -1.748 3.473 343 HG2 LYS 42 2HG LYS 42 -14.689 -1.975 4.533 344 HG3 LYS 42 1HG LYS 42 -14.296 -0.780 5.771 345 HD2 LYS 42 2HD LYS 42 -14.313 0.286 3.043 346 HD3 LYS 42 1HD LYS 42 -15.876 -0.328 3.585 347 HE2 LYS 42 2HE LYS 42 -15.807 1.965 4.180 348 HE3 LYS 42 1HE LYS 42 -15.570 1.049 5.670 349 HZ1 LYS 42 3HZ LYS 42 -13.154 1.788 4.237 350 HZ2 LYS 42 1HZ LYS 42 -13.474 1.795 5.898 351 HZ3 LYS 42 2HZ LYS 42 -14.015 3.070 4.928 352 H SER 43 H SER 43 -11.652 -3.855 4.110 353 HA SER 43 HA SER 43 -13.631 -5.456 5.268 354 HB2 SER 43 2HB SER 43 -12.346 -7.367 4.207 355 HB3 SER 43 1HB SER 43 -12.791 -6.057 3.112 356 HG SER 43 HG SER 43 -10.266 -6.326 4.381 357 H ARG 44 H ARG 44 -10.301 -4.894 6.162 358 HA ARG 44 HA ARG 44 -10.230 -7.067 8.062 359 HB2 ARG 44 2HB ARG 44 -8.317 -4.822 7.434 360 HB3 ARG 44 1HB ARG 44 -8.024 -5.998 8.709 361 HG2 ARG 44 2HG ARG 44 -8.362 -6.615 5.781 362 HG3 ARG 44 1HG ARG 44 -6.839 -6.587 6.669 363 HD2 ARG 44 2HD ARG 44 -7.264 -8.816 6.791 364 HD3 ARG 44 1HD ARG 44 -8.160 -8.295 8.217 365 HE ARG 44 HE ARG 44 -10.114 -8.856 7.157 366 HH11 ARG 44 1HH1 ARG 44 -7.532 -8.765 4.811 367 HH12 ARG 44 2HH1 ARG 44 -8.491 -9.452 3.542 368 HH21 ARG 44 1HH2 ARG 44 -11.377 -9.759 5.491 369 HH22 ARG 44 2HH2 ARG 44 -10.674 -10.016 3.929 370 H GLU 45 H GLU 45 -11.453 -3.916 8.065 371 HA GLU 45 HA GLU 45 -12.327 -2.580 9.682 372 HB2 GLU 45 2HB GLU 45 -12.239 -5.244 11.038 373 HB3 GLU 45 1HB GLU 45 -12.636 -3.820 11.988 374 HG2 GLU 45 2HG GLU 45 -14.430 -3.328 10.296 375 HG3 GLU 45 1HG GLU 45 -14.114 -4.925 9.619 376 H THR 46 H THR 46 -9.732 -2.112 9.236 377 HA THR 46 HA THR 46 -8.827 -1.153 11.808 378 HB THR 46 HB THR 46 -7.784 -3.340 11.827 379 HG1 THR 46 1HG THR 46 -6.554 -1.355 12.422 380 HG21 THR 46 3HG2 THR 46 -6.059 -2.861 9.493 381 HG22 THR 46 1HG2 THR 46 -7.752 -3.184 9.115 382 HG23 THR 46 2HG2 THR 46 -6.819 -4.349 10.055 383 H PHE 47 H PHE 47 -7.655 0.699 11.640 384 HA PHE 47 HA PHE 47 -7.167 1.683 8.915 385 HB2 PHE 47 2HB PHE 47 -7.182 3.937 9.934 386 HB3 PHE 47 1HB PHE 47 -8.686 3.066 10.218 387 HD1 PHE 47 1HD PHE 47 -5.627 4.367 11.747 388 HD2 PHE 47 2HD PHE 47 -9.316 2.360 12.428 389 HE1 PHE 47 1HE PHE 47 -5.387 4.754 14.166 390 HE2 PHE 47 2HE PHE 47 -9.085 2.745 14.847 391 HZ PHE 47 HZ PHE 47 -7.118 3.944 15.719 392 H ILE 48 H ILE 48 -5.361 -0.108 10.387 393 HA ILE 48 HA ILE 48 -3.020 1.669 10.619 394 HB ILE 48 HB ILE 48 -3.321 -1.048 11.895 395 HG12 ILE 48 2HG1 ILE 48 -3.230 1.269 13.678 396 HG13 ILE 48 1HG1 ILE 48 -4.662 1.252 12.654 397 HG21 ILE 48 1HG2 ILE 48 -1.236 -0.801 12.728 398 HG22 ILE 48 2HG2 ILE 48 -1.392 0.948 12.895 399 HG23 ILE 48 3HG2 ILE 48 -1.040 0.242 11.319 400 HD11 ILE 48 3HD1 ILE 48 -4.202 -1.356 13.750 401 HD12 ILE 48 1HD1 ILE 48 -5.602 -0.297 13.917 402 HD13 ILE 48 2HD1 ILE 48 -4.244 -0.146 15.032 403 H ILE 49 H ILE 49 -2.239 1.588 8.556 404 HA ILE 49 HA ILE 49 -1.970 -0.949 7.177 405 HB ILE 49 HB ILE 49 -0.931 1.741 6.290 406 HG12 ILE 49 2HG1 ILE 49 -3.613 0.468 5.701 407 HG13 ILE 49 1HG1 ILE 49 -3.356 1.848 6.764 408 HG21 ILE 49 1HG2 ILE 49 -1.551 0.436 4.038 409 HG22 ILE 49 2HG2 ILE 49 -1.160 -0.940 5.071 410 HG23 ILE 49 3HG2 ILE 49 0.033 0.332 4.806 411 HD11 ILE 49 3HD1 ILE 49 -3.250 1.688 3.799 412 HD12 ILE 49 1HD1 ILE 49 -2.256 2.888 4.628 413 HD13 ILE 49 2HD1 ILE 49 -4.008 2.891 4.842 414 H ASP 50 H ASP 50 -0.504 -2.001 8.610 415 HA ASP 50 HA ASP 50 2.182 -0.875 8.821 416 HB2 ASP 50 2HB ASP 50 2.598 -2.805 10.347 417 HB3 ASP 50 1HB ASP 50 1.271 -1.772 10.872 418 H ASP 51 H ASP 51 3.868 -2.901 8.818 419 HA ASP 51 HA ASP 51 4.271 -3.511 6.124 420 HB2 ASP 51 2HB ASP 51 6.048 -3.496 7.865 421 HB3 ASP 51 1HB ASP 51 5.390 -4.997 8.511 422 H GLU 52 H GLU 52 2.624 -5.282 8.660 423 HA GLU 52 HA GLU 52 2.444 -7.777 7.376 424 HB2 GLU 52 2HB GLU 52 1.817 -6.973 9.824 425 HB3 GLU 52 1HB GLU 52 0.214 -6.825 9.117 426 HG2 GLU 52 2HG GLU 52 1.110 -9.316 8.285 427 HG3 GLU 52 1HG GLU 52 1.654 -9.180 9.957 428 H ILE 53 H ILE 53 0.303 -4.955 7.337 429 HA ILE 53 HA ILE 53 -1.652 -6.183 5.651 430 HB ILE 53 HB ILE 53 -1.244 -3.229 6.092 431 HG12 ILE 53 2HG1 ILE 53 -1.387 -4.406 8.251 432 HG13 ILE 53 1HG1 ILE 53 -2.819 -3.422 7.958 433 HG21 ILE 53 1HG2 ILE 53 -3.320 -4.898 4.838 434 HG22 ILE 53 2HG2 ILE 53 -2.849 -3.231 4.510 435 HG23 ILE 53 3HG2 ILE 53 -3.901 -3.597 5.876 436 HD11 ILE 53 3HD1 ILE 53 -2.576 -6.276 8.367 437 HD12 ILE 53 1HD1 ILE 53 -3.505 -5.880 6.922 438 HD13 ILE 53 2HD1 ILE 53 -3.990 -5.228 8.487 439 H ALA 54 H ALA 54 0.886 -3.747 5.112 440 HA ALA 54 HA ALA 54 0.435 -3.346 2.383 441 HB1 ALA 54 1HB ALA 54 1.824 -1.753 3.274 442 HB2 ALA 54 2HB ALA 54 3.000 -2.784 2.457 443 HB3 ALA 54 3HB ALA 54 2.759 -2.927 4.200 444 H ASN 55 H ASN 55 2.637 -5.602 4.023 445 HA ASN 55 HA ASN 55 3.788 -6.718 1.729 446 HB2 ASN 55 2HB ASN 55 4.563 -7.010 4.117 447 HB3 ASN 55 1HB ASN 55 3.272 -8.191 4.315 448 HD21 ASN 55 1HD2 ASN 55 6.433 -7.974 3.886 449 HD22 ASN 55 2HD2 ASN 55 6.741 -9.403 2.966 450 H GLU 56 H GLU 56 1.076 -7.933 3.698 451 HA GLU 56 HA GLU 56 0.468 -10.081 1.948 452 HB2 GLU 56 2HB GLU 56 -0.186 -9.706 4.440 453 HB3 GLU 56 1HB GLU 56 -1.563 -8.837 3.773 454 HG2 GLU 56 2HG GLU 56 -1.120 -11.456 2.561 455 HG3 GLU 56 1HG GLU 56 -1.471 -11.511 4.288 456 H PHE 57 H PHE 57 -0.136 -6.736 1.737 457 HA PHE 57 HA PHE 57 -2.574 -6.876 0.244 458 HB2 PHE 57 2HB PHE 57 -1.988 -4.861 1.505 459 HB3 PHE 57 1HB PHE 57 -0.553 -4.638 0.509 460 HD1 PHE 57 2HD PHE 57 -4.258 -4.795 0.337 461 HD2 PHE 57 1HD PHE 57 -0.660 -3.387 -1.443 462 HE1 PHE 57 2HE PHE 57 -5.574 -3.448 -1.246 463 HE2 PHE 57 1HE PHE 57 -1.968 -2.035 -3.030 464 HZ PHE 57 HZ PHE 57 -4.429 -2.065 -2.932 465 H LEU 58 H LEU 58 0.850 -6.485 -0.573 466 HA LEU 58 HA LEU 58 0.429 -6.228 -3.371 467 HB2 LEU 58 2HB LEU 58 2.937 -7.187 -2.001 468 HB3 LEU 58 1HB LEU 58 2.809 -6.450 -3.587 469 HG LEU 58 HG LEU 58 2.120 -4.992 -1.041 470 HD11 LEU 58 1HD1 LEU 58 4.624 -4.368 -2.464 471 HD12 LEU 58 2HD1 LEU 58 4.606 -5.870 -1.540 472 HD13 LEU 58 3HD1 LEU 58 4.256 -4.337 -0.740 473 HD21 LEU 58 3HD2 LEU 58 3.017 -3.599 -3.479 474 HD22 LEU 58 1HD2 LEU 58 1.761 -3.167 -2.319 475 HD23 LEU 58 2HD2 LEU 58 1.433 -4.369 -3.567 476 H LYS 59 H LYS 59 1.133 -8.958 -1.246 477 HA LYS 59 HA LYS 59 1.489 -10.843 -3.354 478 HB2 LYS 59 2HB LYS 59 1.554 -12.512 -1.646 479 HB3 LYS 59 1HB LYS 59 2.381 -11.094 -1.018 480 HG2 LYS 59 2HG LYS 59 1.128 -11.553 0.796 481 HG3 LYS 59 1HG LYS 59 -0.066 -10.594 -0.081 482 HD2 LYS 59 2HD LYS 59 -1.418 -12.363 0.170 483 HD3 LYS 59 1HD LYS 59 -0.452 -13.110 -1.106 484 HE2 LYS 59 2HE LYS 59 0.506 -13.304 1.705 485 HE3 LYS 59 1HE LYS 59 -0.852 -14.314 1.211 486 HZ1 LYS 59 3HZ LYS 59 1.427 -14.297 -0.588 487 HZ2 LYS 59 1HZ LYS 59 0.453 -15.585 -0.084 488 HZ3 LYS 59 2HZ LYS 59 1.695 -15.021 0.917 489 H SER 60 H SER 60 -1.252 -9.724 -1.485 490 HA SER 60 HA SER 60 -3.048 -11.781 -2.276 491 HB2 SER 60 2HB SER 60 -3.382 -10.336 -0.273 492 HB3 SER 60 1HB SER 60 -3.712 -8.978 -1.347 493 HG SER 60 HG SER 60 -5.414 -10.391 -2.243 494 H ILE 61 H ILE 61 -2.425 -8.498 -3.471 495 HA ILE 61 HA ILE 61 -4.441 -8.488 -5.443 496 HB ILE 61 HB ILE 61 -3.163 -6.641 -6.484 497 HG12 ILE 61 2HG1 ILE 61 -1.155 -7.192 -4.286 498 HG13 ILE 61 1HG1 ILE 61 -0.901 -7.514 -5.998 499 HG21 ILE 61 1HG2 ILE 61 -4.504 -6.662 -4.095 500 HG22 ILE 61 2HG2 ILE 61 -4.008 -5.220 -4.981 501 HG23 ILE 61 3HG2 ILE 61 -2.995 -5.847 -3.682 502 HD11 ILE 61 3HD1 ILE 61 -1.264 -5.053 -6.387 503 HD12 ILE 61 1HD1 ILE 61 0.209 -5.497 -5.522 504 HD13 ILE 61 2HD1 ILE 61 -1.177 -4.856 -4.637 505 H GLY 62 H GLY 62 -1.187 -9.758 -5.394 506 HA2 GLY 62 2HA GLY 62 -0.467 -11.490 -6.841 507 HA3 GLY 62 1HA GLY 62 -1.687 -10.991 -8.004 508 H ALA 63 H ALA 63 0.868 -9.157 -6.344 509 HA ALA 63 HA ALA 63 1.703 -8.096 -8.939 510 HB1 ALA 63 1HB ALA 63 3.190 -6.687 -7.237 511 HB2 ALA 63 2HB ALA 63 1.902 -7.169 -6.132 512 HB3 ALA 63 3HB ALA 63 1.515 -6.270 -7.599 513 H GLU 64 H GLU 64 2.379 -10.764 -8.508 514 HA GLU 64 HA GLU 64 5.271 -10.646 -7.972 515 HB2 GLU 64 2HB GLU 64 5.024 -13.189 -7.814 516 HB3 GLU 64 1HB GLU 64 4.347 -12.233 -6.504 517 HG2 GLU 64 2HG GLU 64 2.472 -12.775 -8.680 518 HG3 GLU 64 1HG GLU 64 3.050 -14.214 -7.840 519 H VAL 65 H VAL 65 4.278 -9.730 -10.426 520 HA VAL 65 HA VAL 65 5.090 -11.871 -12.279 521 HB VAL 65 HB VAL 65 2.794 -11.070 -12.652 522 HG11 VAL 65 1HG1 VAL 65 2.465 -8.769 -13.543 523 HG12 VAL 65 2HG1 VAL 65 4.127 -8.403 -13.082 524 HG13 VAL 65 3HG1 VAL 65 2.940 -8.820 -11.846 525 HG21 VAL 65 3HG2 VAL 65 3.461 -10.070 -15.098 526 HG22 VAL 65 1HG2 VAL 65 3.415 -11.784 -14.687 527 HG23 VAL 65 2HG2 VAL 65 4.944 -10.907 -14.638 528 H GLU 66 H GLU 66 6.763 -11.540 -13.651 529 HA GLU 66 HA GLU 66 7.791 -8.940 -14.256 530 HB2 GLU 66 2HB GLU 66 8.655 -9.854 -11.854 531 HB3 GLU 66 1HB GLU 66 9.880 -10.543 -12.910 532 HG2 GLU 66 2HG GLU 66 10.604 -8.445 -13.633 533 HG3 GLU 66 1HG GLU 66 9.145 -7.643 -13.055 534 H LEU 67 H LEU 67 9.775 -9.076 -15.620 535 HA LEU 67 HA LEU 67 9.775 -11.593 -17.150 536 HB2 LEU 67 2HB LEU 67 10.480 -8.830 -18.138 537 HB3 LEU 67 1HB LEU 67 10.387 -10.291 -19.104 538 HG LEU 67 HG LEU 67 7.979 -9.259 -17.638 539 HD11 LEU 67 1HD1 LEU 67 8.788 -8.494 -20.437 540 HD12 LEU 67 2HD1 LEU 67 8.901 -7.433 -19.033 541 HD13 LEU 67 3HD1 LEU 67 7.327 -8.005 -19.582 542 HD21 LEU 67 3HD2 LEU 67 7.752 -11.483 -18.466 543 HD22 LEU 67 1HD2 LEU 67 8.423 -11.030 -20.033 544 HD23 LEU 67 2HD2 LEU 67 6.842 -10.423 -19.541 545 HA PRO 68 HA PRO 68 13.912 -11.598 -15.111 546 HB2 PRO 68 2HB PRO 68 13.769 -14.272 -16.428 547 HB3 PRO 68 1HB PRO 68 14.317 -13.846 -14.803 548 HG2 PRO 68 2HG PRO 68 11.935 -14.971 -15.176 549 HG3 PRO 68 1HG PRO 68 12.157 -13.689 -13.971 550 HD2 PRO 68 2HD PRO 68 10.876 -13.564 -16.660 551 HD3 PRO 68 1HD PRO 68 10.461 -12.695 -15.170 552 H GLN 69 H GLN 69 12.980 -12.602 -18.370 553 HA GLN 69 HA GLN 69 15.627 -12.458 -19.439 554 HB2 GLN 69 2HB GLN 69 14.558 -12.740 -21.609 555 HB3 GLN 69 1HB GLN 69 13.873 -13.865 -20.446 556 HG2 GLN 69 2HG GLN 69 12.466 -11.297 -20.691 557 HG3 GLN 69 1HG GLN 69 12.421 -12.331 -22.118 558 HE21 GLN 69 1HE2 GLN 69 10.067 -12.015 -21.253 559 HE22 GLN 69 2HE2 GLN 69 9.488 -13.310 -20.267 560 H GLU 70 H GLU 70 15.569 -11.030 -21.697 561 HA GLU 70 HA GLU 70 15.640 -8.308 -20.709 562 HB2 GLU 70 2HB GLU 70 17.443 -9.357 -22.146 563 HB3 GLU 70 1HB GLU 70 16.311 -9.272 -23.490 564 HG2 GLU 70 2HG GLU 70 16.409 -6.979 -23.609 565 HG3 GLU 70 1HG GLU 70 16.919 -6.808 -21.930 566 H ILE 71 H ILE 71 13.104 -8.809 -20.572 567 HA ILE 71 HA ILE 71 11.017 -8.184 -21.230 568 HB ILE 71 HB ILE 71 12.404 -6.350 -23.183 569 HG12 ILE 71 2HG1 ILE 71 11.596 -5.626 -20.373 570 HG13 ILE 71 1HG1 ILE 71 13.203 -6.244 -20.741 571 HG21 ILE 71 1HG2 ILE 71 10.246 -5.011 -22.286 572 HG22 ILE 71 2HG2 ILE 71 9.648 -6.668 -22.200 573 HG23 ILE 71 3HG2 ILE 71 10.244 -6.023 -23.730 574 HD11 ILE 71 3HD1 ILE 71 13.591 -4.377 -22.245 575 HD12 ILE 71 1HD1 ILE 71 13.170 -3.813 -20.628 576 HD13 ILE 71 2HD1 ILE 71 11.969 -3.766 -21.919 577 H LYS 72 H LYS 72 10.635 -10.275 -22.138 578 HA LYS 72 HA LYS 72 9.929 -11.703 -23.762 579 HB2 LYS 72 2HB LYS 72 8.884 -9.260 -24.413 580 HB3 LYS 72 1HB LYS 72 9.739 -9.682 -25.891 581 HG2 LYS 72 2HG LYS 72 8.427 -12.008 -25.298 582 HG3 LYS 72 1HG LYS 72 7.282 -10.777 -24.762 583 HD2 LYS 72 2HD LYS 72 8.444 -10.101 -27.326 584 HD3 LYS 72 1HD LYS 72 7.668 -11.684 -27.365 585 HE2 LYS 72 2HE LYS 72 5.784 -10.529 -27.732 586 HE3 LYS 72 1HE LYS 72 5.833 -10.199 -26.001 587 HZ1 LYS 72 3HZ LYS 72 5.615 -8.109 -26.895 588 HZ2 LYS 72 1HZ LYS 72 6.575 -8.448 -28.246 589 HZ3 LYS 72 2HZ LYS 72 7.295 -8.211 -26.734 Start of MODEL 20 1 H MET 1 H MET 1 2.054 17.117 0.696 2 HA MET 1 HA MET 1 2.515 17.879 -1.629 3 HB2 MET 1 2HB MET 1 5.062 18.061 -0.656 4 HB3 MET 1 1HB MET 1 5.113 16.499 -1.460 5 HG2 MET 1 2HG MET 1 3.912 17.977 -3.362 6 HG3 MET 1 1HG MET 1 4.909 19.205 -2.586 7 HE1 MET 1 2HE MET 1 6.903 18.229 -5.836 8 HE2 MET 1 3HE MET 1 5.856 19.423 -5.069 9 HE3 MET 1 1HE MET 1 5.165 17.949 -5.748 10 H ASP 2 H ASP 2 3.465 15.174 0.415 11 HA ASP 2 HA ASP 2 3.197 13.115 -1.468 12 HB2 ASP 2 2HB ASP 2 2.826 13.099 1.532 13 HB3 ASP 2 1HB ASP 2 2.857 11.645 0.541 14 H GLU 3 H GLU 3 1.458 12.584 -2.597 15 HA GLU 3 HA GLU 3 -1.179 13.374 -1.775 16 HB2 GLU 3 2HB GLU 3 0.000 12.029 -4.169 17 HB3 GLU 3 1HB GLU 3 -1.732 11.895 -3.892 18 HG2 GLU 3 2HG GLU 3 -2.121 14.010 -4.494 19 HG3 GLU 3 1HG GLU 3 -0.692 14.618 -3.658 20 H PHE 4 H PHE 4 0.720 10.445 -1.746 21 HA PHE 4 HA PHE 4 -1.388 8.610 -1.329 22 HB2 PHE 4 2HB PHE 4 0.948 8.013 -2.021 23 HB3 PHE 4 1HB PHE 4 1.470 8.350 -0.374 24 HD1 PHE 4 2HD PHE 4 -1.579 6.610 -1.599 25 HD2 PHE 4 1HD PHE 4 2.107 6.309 0.506 26 HE1 PHE 4 2HE PHE 4 -2.140 4.302 -0.954 27 HE2 PHE 4 1HE PHE 4 1.553 4.001 1.154 28 HZ PHE 4 HZ PHE 4 -0.573 2.996 0.425 29 H VAL 5 H VAL 5 0.848 10.168 0.966 30 HA VAL 5 HA VAL 5 -0.243 9.083 3.304 31 HB VAL 5 HB VAL 5 1.029 11.810 3.060 32 HG11 VAL 5 1HG1 VAL 5 1.212 11.840 5.305 33 HG12 VAL 5 2HG1 VAL 5 1.495 10.103 5.411 34 HG13 VAL 5 3HG1 VAL 5 -0.148 10.720 5.230 35 HG21 VAL 5 3HG2 VAL 5 2.272 9.076 3.220 36 HG22 VAL 5 1HG2 VAL 5 3.141 10.549 3.654 37 HG23 VAL 5 2HG2 VAL 5 2.543 10.329 2.010 38 H LYS 6 H LYS 6 -0.817 12.304 1.876 39 HA LYS 6 HA LYS 6 -2.875 13.007 3.678 40 HB2 LYS 6 2HB LYS 6 -1.972 14.061 1.018 41 HB3 LYS 6 1HB LYS 6 -3.443 14.676 1.759 42 HG2 LYS 6 2HG LYS 6 -2.091 15.229 3.788 43 HG3 LYS 6 1HG LYS 6 -0.649 14.798 2.865 44 HD2 LYS 6 2HD LYS 6 -2.645 16.936 2.120 45 HD3 LYS 6 1HD LYS 6 -1.057 17.216 2.838 46 HE2 LYS 6 2HE LYS 6 0.004 16.188 0.887 47 HE3 LYS 6 1HE LYS 6 -1.583 15.907 0.171 48 HZ1 LYS 6 3HZ LYS 6 -0.773 17.859 -0.810 49 HZ2 LYS 6 1HZ LYS 6 -0.238 18.498 0.663 50 HZ3 LYS 6 2HZ LYS 6 -1.895 18.393 0.338 51 H GLY 7 H GLY 7 -2.844 11.273 0.644 52 HA2 GLY 7 2HA GLY 7 -5.586 11.452 0.019 53 HA3 GLY 7 1HA GLY 7 -4.494 10.185 -0.522 54 H LEU 8 H LEU 8 -3.814 9.306 2.162 55 HA LEU 8 HA LEU 8 -6.012 7.510 2.559 56 HB2 LEU 8 2HB LEU 8 -3.304 7.876 3.753 57 HB3 LEU 8 1HB LEU 8 -4.483 6.933 4.643 58 HG LEU 8 HG LEU 8 -3.766 6.323 1.782 59 HD11 LEU 8 1HD1 LEU 8 -2.422 4.439 2.913 60 HD12 LEU 8 2HD1 LEU 8 -2.419 5.497 4.325 61 HD13 LEU 8 3HD1 LEU 8 -1.704 6.045 2.809 62 HD21 LEU 8 3HD2 LEU 8 -5.181 4.837 3.982 63 HD22 LEU 8 1HD2 LEU 8 -4.587 4.052 2.519 64 HD23 LEU 8 2HD2 LEU 8 -5.812 5.315 2.406 65 H MET 9 H MET 9 -4.640 10.251 4.315 66 HA MET 9 HA MET 9 -6.174 10.053 6.645 67 HB2 MET 9 2HB MET 9 -4.210 11.725 5.769 68 HB3 MET 9 1HB MET 9 -5.609 12.788 5.705 69 HG2 MET 9 2HG MET 9 -4.689 13.119 7.823 70 HG3 MET 9 1HG MET 9 -6.078 12.067 8.091 71 HE1 MET 9 3HE MET 9 -1.743 10.583 7.878 72 HE2 MET 9 1HE MET 9 -2.025 12.223 8.460 73 HE3 MET 9 2HE MET 9 -2.519 11.770 6.829 74 H LYS 10 H LYS 10 -6.981 11.211 3.469 75 HA LYS 10 HA LYS 10 -9.180 12.825 4.037 76 HB2 LYS 10 2HB LYS 10 -8.316 11.204 1.690 77 HB3 LYS 10 1HB LYS 10 -9.962 11.822 1.705 78 HG2 LYS 10 2HG LYS 10 -7.911 13.802 2.390 79 HG3 LYS 10 1HG LYS 10 -7.809 13.162 0.748 80 HD2 LYS 10 2HD LYS 10 -9.871 14.002 0.150 81 HD3 LYS 10 1HD LYS 10 -10.458 14.033 1.813 82 HE2 LYS 10 2HE LYS 10 -10.133 16.282 1.319 83 HE3 LYS 10 1HE LYS 10 -8.661 15.840 2.182 84 HZ1 LYS 10 3HZ LYS 10 -7.630 15.476 -0.049 85 HZ2 LYS 10 1HZ LYS 10 -8.024 17.086 0.292 86 HZ3 LYS 10 2HZ LYS 10 -9.005 16.176 -0.742 87 H ASN 11 H ASN 11 -8.864 9.348 3.987 88 HA ASN 11 HA ASN 11 -11.736 9.097 4.589 89 HB2 ASN 11 2HB ASN 11 -9.840 6.987 3.536 90 HB3 ASN 11 1HB ASN 11 -11.562 6.770 3.837 91 HD21 ASN 11 1HD2 ASN 11 -9.166 8.177 1.768 92 HD22 ASN 11 2HD2 ASN 11 -10.231 8.593 0.471 93 H GLY 12 H GLY 12 -9.591 9.801 6.479 94 HA2 GLY 12 2HA GLY 12 -8.939 9.277 8.615 95 HA3 GLY 12 1HA GLY 12 -10.385 8.280 8.676 96 H TYR 13 H TYR 13 -7.158 8.179 7.154 97 HA TYR 13 HA TYR 13 -6.812 5.484 8.257 98 HB2 TYR 13 2HB TYR 13 -6.773 6.277 5.386 99 HB3 TYR 13 1HB TYR 13 -5.598 5.081 5.921 100 HD1 TYR 13 1HD TYR 13 -6.424 2.954 6.980 101 HD2 TYR 13 2HD TYR 13 -9.039 5.697 5.047 102 HE1 TYR 13 1HE TYR 13 -8.132 1.194 6.808 103 HE2 TYR 13 2HE TYR 13 -10.755 3.944 4.871 104 HH TYR 13 HH TYR 13 -10.584 1.025 6.573 105 H LEU 14 H LEU 14 -4.708 4.918 8.755 106 HA LEU 14 HA LEU 14 -2.699 7.052 8.434 107 HB2 LEU 14 2HB LEU 14 -2.772 5.121 10.739 108 HB3 LEU 14 1HB LEU 14 -1.838 6.596 10.593 109 HG LEU 14 HG LEU 14 -4.845 6.615 10.707 110 HD11 LEU 14 1HD1 LEU 14 -4.019 5.505 12.715 111 HD12 LEU 14 2HD1 LEU 14 -4.653 7.107 13.088 112 HD13 LEU 14 3HD1 LEU 14 -2.912 6.847 13.008 113 HD21 LEU 14 3HD2 LEU 14 -4.312 8.716 10.051 114 HD22 LEU 14 1HD2 LEU 14 -2.676 8.623 10.702 115 HD23 LEU 14 2HD2 LEU 14 -4.037 8.927 11.780 116 H ILE 15 H ILE 15 -0.548 6.422 8.099 117 HA ILE 15 HA ILE 15 -0.047 3.577 7.616 118 HB ILE 15 HB ILE 15 -0.691 4.529 5.445 119 HG12 ILE 15 2HG1 ILE 15 2.283 3.999 5.521 120 HG13 ILE 15 1HG1 ILE 15 1.065 2.735 5.665 121 HG21 ILE 15 1HG2 ILE 15 0.120 6.442 4.573 122 HG22 ILE 15 2HG2 ILE 15 1.741 6.175 5.216 123 HG23 ILE 15 3HG2 ILE 15 0.472 6.817 6.260 124 HD11 ILE 15 3HD1 ILE 15 0.446 2.897 3.467 125 HD12 ILE 15 1HD1 ILE 15 2.166 3.274 3.365 126 HD13 ILE 15 2HD1 ILE 15 0.974 4.574 3.327 127 H THR 16 H THR 16 1.996 2.919 8.084 128 HA THR 16 HA THR 16 3.748 4.903 9.323 129 HB THR 16 HB THR 16 4.888 3.093 10.379 130 HG1 THR 16 1HG THR 16 3.370 1.359 8.695 131 HG21 THR 16 3HG2 THR 16 2.902 3.535 11.557 132 HG22 THR 16 1HG2 THR 16 2.925 1.781 11.373 133 HG23 THR 16 2HG2 THR 16 1.900 2.762 10.327 134 HA PRO 17 HA PRO 17 6.761 5.199 6.130 135 HB2 PRO 17 2HB PRO 17 8.778 4.484 8.205 136 HB3 PRO 17 1HB PRO 17 8.738 5.864 7.103 137 HG2 PRO 17 2HG PRO 17 8.124 6.167 9.673 138 HG3 PRO 17 1HG PRO 17 7.229 7.039 8.414 139 HD2 PRO 17 2HD PRO 17 6.419 4.652 10.011 140 HD3 PRO 17 1HD PRO 17 5.434 6.008 9.427 141 H SER 18 H SER 18 6.809 2.412 8.263 142 HA SER 18 HA SER 18 8.597 0.794 6.830 143 HB2 SER 18 2HB SER 18 6.238 -0.010 8.550 144 HB3 SER 18 1HB SER 18 7.516 -1.099 8.011 145 HG SER 18 HG SER 18 7.861 -0.255 10.135 146 H ALA 19 H ALA 19 5.135 1.340 6.481 147 HA ALA 19 HA ALA 19 4.987 -0.589 4.292 148 HB1 ALA 19 1HB ALA 19 3.214 -0.024 6.246 149 HB2 ALA 19 2HB ALA 19 2.772 -0.720 4.687 150 HB3 ALA 19 3HB ALA 19 2.607 1.016 4.956 151 H TYR 20 H TYR 20 4.961 2.853 4.882 152 HA TYR 20 HA TYR 20 3.962 3.711 2.397 153 HB2 TYR 20 2HB TYR 20 4.145 5.208 4.327 154 HB3 TYR 20 1HB TYR 20 5.901 5.092 4.265 155 HD1 TYR 20 2HD TYR 20 2.926 6.359 2.472 156 HD2 TYR 20 1HD TYR 20 7.168 6.446 2.782 157 HE1 TYR 20 2HE TYR 20 2.993 8.285 0.944 158 HE2 TYR 20 1HE TYR 20 7.247 8.371 1.256 159 HH TYR 20 HH TYR 20 4.463 10.137 0.378 160 H TYR 21 H TYR 21 7.214 2.886 3.475 161 HA TYR 21 HA TYR 21 8.595 3.808 1.198 162 HB2 TYR 21 2HB TYR 21 9.192 1.990 3.468 163 HB3 TYR 21 1HB TYR 21 10.208 1.830 2.039 164 HD1 TYR 21 2HD TYR 21 10.444 4.597 1.113 165 HD2 TYR 21 1HD TYR 21 10.507 3.036 5.071 166 HE1 TYR 21 2HE TYR 21 11.783 6.525 1.846 167 HE2 TYR 21 1HE TYR 21 11.845 4.961 5.815 168 HH TYR 21 HH TYR 21 12.060 7.639 4.588 169 H LEU 22 H LEU 22 6.708 0.960 1.777 170 HA LEU 22 HA LEU 22 7.728 -0.316 -0.653 171 HB2 LEU 22 2HB LEU 22 5.666 -1.469 1.203 172 HB3 LEU 22 1HB LEU 22 6.714 -2.314 0.081 173 HG LEU 22 HG LEU 22 7.804 -0.849 2.470 174 HD11 LEU 22 1HD1 LEU 22 7.925 -3.186 3.477 175 HD12 LEU 22 2HD1 LEU 22 6.703 -3.634 2.287 176 HD13 LEU 22 3HD1 LEU 22 6.353 -2.385 3.482 177 HD21 LEU 22 3HD2 LEU 22 9.744 -2.178 2.122 178 HD22 LEU 22 1HD2 LEU 22 9.297 -1.495 0.558 179 HD23 LEU 22 2HD2 LEU 22 8.921 -3.180 0.928 180 H LEU 23 H LEU 23 4.911 1.277 0.640 181 HA LEU 23 HA LEU 23 3.234 0.495 -1.593 182 HB2 LEU 23 2HB LEU 23 2.812 2.181 0.854 183 HB3 LEU 23 1HB LEU 23 1.637 2.165 -0.448 184 HG LEU 23 HG LEU 23 2.521 -0.261 1.118 185 HD11 LEU 23 1HD1 LEU 23 0.370 -0.171 2.189 186 HD12 LEU 23 2HD1 LEU 23 -0.088 1.241 1.236 187 HD13 LEU 23 3HD1 LEU 23 1.200 1.367 2.435 188 HD21 LEU 23 3HD2 LEU 23 1.827 -1.208 -0.832 189 HD22 LEU 23 1HD2 LEU 23 0.780 0.150 -1.249 190 HD23 LEU 23 2HD2 LEU 23 0.260 -1.027 -0.041 191 H VAL 24 H VAL 24 5.175 3.213 -0.595 192 HA VAL 24 HA VAL 24 4.093 5.225 -2.197 193 HB VAL 24 HB VAL 24 5.780 5.666 -0.474 194 HG11 VAL 24 1HG1 VAL 24 7.966 4.776 -2.292 195 HG12 VAL 24 2HG1 VAL 24 7.146 3.580 -1.287 196 HG13 VAL 24 3HG1 VAL 24 7.960 4.953 -0.536 197 HG21 VAL 24 3HG2 VAL 24 6.510 7.536 -1.495 198 HG22 VAL 24 1HG2 VAL 24 5.466 6.990 -2.806 199 HG23 VAL 24 2HG2 VAL 24 7.197 6.651 -2.857 200 H GLY 25 H GLY 25 6.457 2.711 -2.966 201 HA2 GLY 25 2HA GLY 25 6.981 3.720 -5.604 202 HA3 GLY 25 1HA GLY 25 7.495 2.169 -4.961 203 H HIS 26 H HIS 26 4.759 1.398 -4.218 204 HA HIS 26 HA HIS 26 3.989 0.321 -6.782 205 HB2 HIS 26 2HB HIS 26 3.910 -0.736 -4.325 206 HB3 HIS 26 1HB HIS 26 2.275 -0.089 -4.386 207 HD1 HIS 26 1HD HIS 26 4.423 -2.082 -6.831 208 HD2 HIS 26 2HD HIS 26 0.590 -2.011 -5.227 209 HE1 HIS 26 1HE HIS 26 3.215 -4.016 -7.891 210 HE2 HIS 26 2HE HIS 26 0.878 -3.915 -6.954 211 H PHE 27 H PHE 27 3.061 2.979 -4.810 212 HA PHE 27 HA PHE 27 0.464 3.245 -6.112 213 HB2 PHE 27 2HB PHE 27 0.620 3.655 -3.684 214 HB3 PHE 27 1HB PHE 27 1.759 4.964 -3.984 215 HD1 PHE 27 2HD PHE 27 -1.687 3.868 -4.875 216 HD2 PHE 27 1HD PHE 27 0.969 7.119 -4.187 217 HE1 PHE 27 2HE PHE 27 -3.566 5.442 -5.092 218 HE2 PHE 27 1HE PHE 27 -0.904 8.700 -4.403 219 HZ PHE 27 HZ PHE 27 -3.174 7.862 -4.857 220 H ASN 28 H ASN 28 3.503 5.046 -5.758 221 HA ASN 28 HA ASN 28 2.826 7.237 -7.359 222 HB2 ASN 28 2HB ASN 28 4.899 6.830 -5.833 223 HB3 ASN 28 1HB ASN 28 5.622 6.142 -7.283 224 HD21 ASN 28 1HD2 ASN 28 6.212 8.586 -5.695 225 HD22 ASN 28 2HD2 ASN 28 6.205 9.877 -6.844 226 H GLU 29 H GLU 29 4.394 4.169 -8.212 227 HA GLU 29 HA GLU 29 4.852 4.732 -10.917 228 HB2 GLU 29 2HB GLU 29 5.490 2.674 -9.311 229 HB3 GLU 29 1HB GLU 29 4.147 1.946 -10.182 230 HG2 GLU 29 2HG GLU 29 5.271 2.480 -12.305 231 HG3 GLU 29 1HG GLU 29 6.636 3.124 -11.394 232 H GLY 30 H GLY 30 2.016 3.482 -9.246 233 HA2 GLY 30 2HA GLY 30 -0.181 3.961 -10.091 234 HA3 GLY 30 1HA GLY 30 0.478 3.914 -11.719 235 H LYS 31 H LYS 31 1.033 1.557 -9.148 236 HA LYS 31 HA LYS 31 0.159 -0.561 -10.921 237 HB2 LYS 31 2HB LYS 31 1.747 -0.362 -8.451 238 HB3 LYS 31 1HB LYS 31 0.750 -1.804 -8.562 239 HG2 LYS 31 2HG LYS 31 2.249 -1.194 -10.999 240 HG3 LYS 31 1HG LYS 31 3.253 -1.544 -9.590 241 HD2 LYS 31 2HD LYS 31 2.948 -3.667 -10.382 242 HD3 LYS 31 1HD LYS 31 1.547 -3.544 -9.316 243 HE2 LYS 31 2HE LYS 31 0.382 -4.190 -11.120 244 HE3 LYS 31 1HE LYS 31 0.559 -2.511 -11.631 245 HZ1 LYS 31 3HZ LYS 31 1.297 -4.584 -13.119 246 HZ2 LYS 31 1HZ LYS 31 2.756 -4.283 -12.315 247 HZ3 LYS 31 2HZ LYS 31 2.026 -3.061 -13.227 248 H PHE 32 H PHE 32 -0.675 0.536 -7.630 249 HA PHE 32 HA PHE 32 -3.317 -0.716 -7.997 250 HB2 PHE 32 2HB PHE 32 -3.419 -1.199 -5.676 251 HB3 PHE 32 1HB PHE 32 -1.812 -1.693 -6.198 252 HD1 PHE 32 1HD PHE 32 0.084 0.047 -5.855 253 HD2 PHE 32 2HD PHE 32 -3.657 0.162 -3.831 254 HE1 PHE 32 1HE PHE 32 1.083 1.448 -4.095 255 HE2 PHE 32 2HE PHE 32 -2.665 1.563 -2.068 256 HZ PHE 32 HZ PHE 32 -0.293 2.207 -2.200 257 H SER 33 H SER 33 -5.125 0.359 -6.946 258 HA SER 33 HA SER 33 -4.796 3.273 -7.018 259 HB2 SER 33 2HB SER 33 -7.216 1.498 -7.355 260 HB3 SER 33 1HB SER 33 -7.329 3.251 -7.192 261 HG SER 33 HG SER 33 -5.861 3.337 -9.035 262 H LEU 34 H LEU 34 -5.921 4.583 -5.448 263 HA LEU 34 HA LEU 34 -5.443 3.821 -2.804 264 HB2 LEU 34 2HB LEU 34 -6.718 6.081 -4.180 265 HB3 LEU 34 1HB LEU 34 -7.320 5.799 -2.557 266 HG LEU 34 HG LEU 34 -4.429 6.260 -3.294 267 HD11 LEU 34 1HD1 LEU 34 -6.262 8.066 -1.739 268 HD12 LEU 34 2HD1 LEU 34 -5.998 8.225 -3.476 269 HD13 LEU 34 3HD1 LEU 34 -4.648 8.419 -2.359 270 HD21 LEU 34 3HD2 LEU 34 -4.528 6.628 -0.648 271 HD22 LEU 34 1HD2 LEU 34 -4.157 5.070 -1.386 272 HD23 LEU 34 2HD2 LEU 34 -5.790 5.408 -0.812 273 H ILE 35 H ILE 35 -8.449 3.838 -4.681 274 HA ILE 35 HA ILE 35 -10.240 3.174 -2.661 275 HB ILE 35 HB ILE 35 -10.931 3.828 -4.928 276 HG12 ILE 35 2HG1 ILE 35 -12.707 1.986 -5.208 277 HG13 ILE 35 1HG1 ILE 35 -11.960 1.230 -3.805 278 HG21 ILE 35 1HG2 ILE 35 -9.163 2.334 -6.017 279 HG22 ILE 35 2HG2 ILE 35 -10.735 2.453 -6.810 280 HG23 ILE 35 3HG2 ILE 35 -10.341 1.033 -5.841 281 HD11 ILE 35 3HD1 ILE 35 -12.691 4.080 -3.553 282 HD12 ILE 35 1HD1 ILE 35 -12.776 2.774 -2.372 283 HD13 ILE 35 2HD1 ILE 35 -14.010 2.910 -3.625 284 H GLU 36 H GLU 36 -7.955 1.177 -4.384 285 HA GLU 36 HA GLU 36 -9.078 -1.329 -3.602 286 HB2 GLU 36 2HB GLU 36 -6.298 -0.634 -4.567 287 HB3 GLU 36 1HB GLU 36 -6.918 -2.268 -4.380 288 HG2 GLU 36 2HG GLU 36 -8.772 -1.531 -5.994 289 HG3 GLU 36 1HG GLU 36 -7.708 -0.176 -6.367 290 H LEU 37 H LEU 37 -6.662 0.842 -2.271 291 HA LEU 37 HA LEU 37 -5.651 -0.946 -0.313 292 HB2 LEU 37 2HB LEU 37 -4.584 1.199 -1.175 293 HB3 LEU 37 1HB LEU 37 -5.682 2.059 -0.111 294 HG LEU 37 HG LEU 37 -4.692 1.018 1.837 295 HD11 LEU 37 1HD1 LEU 37 -3.428 -0.707 -0.202 296 HD12 LEU 37 2HD1 LEU 37 -3.994 -1.094 1.423 297 HD13 LEU 37 3HD1 LEU 37 -2.446 -0.278 1.198 298 HD21 LEU 37 3HD2 LEU 37 -2.656 2.147 -0.078 299 HD22 LEU 37 1HD2 LEU 37 -2.395 1.931 1.653 300 HD23 LEU 37 2HD2 LEU 37 -3.639 3.043 1.081 301 H ILE 38 H ILE 38 -8.243 1.446 -0.318 302 HA ILE 38 HA ILE 38 -8.801 1.346 2.453 303 HB ILE 38 HB ILE 38 -10.757 1.997 0.248 304 HG12 ILE 38 2HG1 ILE 38 -8.758 3.347 -0.048 305 HG13 ILE 38 1HG1 ILE 38 -10.056 4.352 0.590 306 HG21 ILE 38 1HG2 ILE 38 -10.842 3.391 2.838 307 HG22 ILE 38 2HG2 ILE 38 -11.276 1.683 2.874 308 HG23 ILE 38 3HG2 ILE 38 -12.155 2.793 1.825 309 HD11 ILE 38 3HD1 ILE 38 -9.053 4.002 2.868 310 HD12 ILE 38 1HD1 ILE 38 -8.091 4.958 1.740 311 HD13 ILE 38 2HD1 ILE 38 -7.668 3.275 2.053 312 H LYS 39 H LYS 39 -10.018 -0.481 -0.312 313 HA LYS 39 HA LYS 39 -12.096 -1.833 1.010 314 HB2 LYS 39 2HB LYS 39 -10.554 -2.227 -1.496 315 HB3 LYS 39 1HB LYS 39 -11.421 -3.624 -0.872 316 HG2 LYS 39 2HG LYS 39 -13.449 -2.749 -1.342 317 HG3 LYS 39 1HG LYS 39 -12.935 -1.094 -1.012 318 HD2 LYS 39 2HD LYS 39 -12.228 -0.744 -3.142 319 HD3 LYS 39 1HD LYS 39 -11.733 -2.423 -3.369 320 HE2 LYS 39 2HE LYS 39 -13.721 -1.642 -4.732 321 HE3 LYS 39 1HE LYS 39 -13.940 -3.124 -3.802 322 HZ1 LYS 39 3HZ LYS 39 -15.449 -2.162 -2.459 323 HZ2 LYS 39 1HZ LYS 39 -15.660 -1.103 -3.763 324 HZ3 LYS 39 2HZ LYS 39 -14.679 -0.656 -2.459 325 H PHE 40 H PHE 40 -8.661 -2.541 0.688 326 HA PHE 40 HA PHE 40 -8.705 -5.153 1.728 327 HB2 PHE 40 2HB PHE 40 -6.791 -3.838 0.546 328 HB3 PHE 40 1HB PHE 40 -6.391 -3.289 2.171 329 HD1 PHE 40 2HD PHE 40 -6.940 -6.368 0.167 330 HD2 PHE 40 1HD PHE 40 -5.068 -4.599 3.554 331 HE1 PHE 40 2HE PHE 40 -5.679 -8.446 0.551 332 HE2 PHE 40 1HE PHE 40 -3.804 -6.672 3.944 333 HZ PHE 40 HZ PHE 40 -4.109 -8.600 2.442 334 H ALA 41 H ALA 41 -8.183 -2.018 3.313 335 HA ALA 41 HA ALA 41 -7.865 -3.130 5.917 336 HB1 ALA 41 1HB ALA 41 -8.770 -0.323 5.603 337 HB2 ALA 41 2HB ALA 41 -7.215 -0.766 4.902 338 HB3 ALA 41 3HB ALA 41 -7.502 -0.998 6.626 339 H LYS 42 H LYS 42 -10.593 -2.007 4.041 340 HA LYS 42 HA LYS 42 -12.465 -1.709 6.109 341 HB2 LYS 42 2HB LYS 42 -12.554 -1.191 3.503 342 HB3 LYS 42 1HB LYS 42 -13.351 -2.759 3.463 343 HG2 LYS 42 2HG LYS 42 -15.245 -1.725 3.952 344 HG3 LYS 42 1HG LYS 42 -14.580 -1.379 5.549 345 HD2 LYS 42 2HD LYS 42 -13.424 0.589 4.112 346 HD3 LYS 42 1HD LYS 42 -14.930 0.388 3.213 347 HE2 LYS 42 2HE LYS 42 -16.153 1.312 4.843 348 HE3 LYS 42 1HE LYS 42 -15.310 0.414 6.104 349 HZ1 LYS 42 3HZ LYS 42 -13.853 2.592 4.820 350 HZ2 LYS 42 1HZ LYS 42 -13.833 2.079 6.433 351 HZ3 LYS 42 2HZ LYS 42 -15.114 3.024 5.861 352 H SER 43 H SER 43 -11.422 -4.531 4.284 353 HA SER 43 HA SER 43 -13.409 -6.267 5.422 354 HB2 SER 43 2HB SER 43 -12.480 -6.716 3.196 355 HB3 SER 43 1HB SER 43 -10.877 -6.925 3.897 356 HG SER 43 HG SER 43 -12.674 -8.774 3.555 357 H ARG 44 H ARG 44 -10.206 -5.234 6.263 358 HA ARG 44 HA ARG 44 -9.774 -7.390 8.143 359 HB2 ARG 44 2HB ARG 44 -8.019 -6.000 6.750 360 HB3 ARG 44 1HB ARG 44 -8.116 -4.904 8.123 361 HG2 ARG 44 2HG ARG 44 -6.711 -6.180 9.253 362 HG3 ARG 44 1HG ARG 44 -7.828 -7.541 9.131 363 HD2 ARG 44 2HD ARG 44 -6.855 -7.910 6.804 364 HD3 ARG 44 1HD ARG 44 -5.579 -6.794 7.283 365 HE ARG 44 HE ARG 44 -5.620 -8.621 9.289 366 HH11 ARG 44 1HH1 ARG 44 -5.347 -8.851 5.818 367 HH12 ARG 44 2HH1 ARG 44 -4.389 -10.293 5.864 368 HH21 ARG 44 1HH2 ARG 44 -4.362 -10.518 9.351 369 HH22 ARG 44 2HH2 ARG 44 -3.831 -11.240 7.869 370 H GLU 45 H GLU 45 -11.145 -4.222 8.160 371 HA GLU 45 HA GLU 45 -12.249 -3.066 9.783 372 HB2 GLU 45 2HB GLU 45 -12.663 -5.607 10.538 373 HB3 GLU 45 1HB GLU 45 -11.712 -5.064 11.913 374 HG2 GLU 45 2HG GLU 45 -13.427 -3.048 11.826 375 HG3 GLU 45 1HG GLU 45 -14.432 -4.271 11.050 376 H THR 46 H THR 46 -9.515 -2.621 9.308 377 HA THR 46 HA THR 46 -8.779 -1.412 11.856 378 HB THR 46 HB THR 46 -7.588 -3.562 11.868 379 HG1 THR 46 1HG THR 46 -5.702 -1.509 11.324 380 HG21 THR 46 3HG2 THR 46 -6.446 -4.404 10.122 381 HG22 THR 46 1HG2 THR 46 -5.738 -2.842 9.710 382 HG23 THR 46 2HG2 THR 46 -7.365 -3.246 9.163 383 H PHE 47 H PHE 47 -8.130 0.619 11.559 384 HA PHE 47 HA PHE 47 -7.537 1.507 8.835 385 HB2 PHE 47 2HB PHE 47 -7.960 3.761 9.657 386 HB3 PHE 47 1HB PHE 47 -9.296 2.699 10.090 387 HD1 PHE 47 1HD PHE 47 -9.539 1.917 12.427 388 HD2 PHE 47 2HD PHE 47 -6.650 4.834 11.309 389 HE1 PHE 47 1HE PHE 47 -9.306 2.585 14.784 390 HE2 PHE 47 2HE PHE 47 -6.412 5.506 13.664 391 HZ PHE 47 HZ PHE 47 -7.740 4.381 15.405 392 H ILE 48 H ILE 48 -5.521 0.031 10.097 393 HA ILE 48 HA ILE 48 -3.459 2.106 10.444 394 HB ILE 48 HB ILE 48 -3.447 -0.562 11.854 395 HG12 ILE 48 2HG1 ILE 48 -3.892 2.084 13.207 396 HG13 ILE 48 1HG1 ILE 48 -5.249 1.179 12.544 397 HG21 ILE 48 1HG2 ILE 48 -1.785 1.850 12.501 398 HG22 ILE 48 2HG2 ILE 48 -1.274 0.668 11.296 399 HG23 ILE 48 3HG2 ILE 48 -1.526 0.169 12.969 400 HD11 ILE 48 3HD1 ILE 48 -3.822 0.803 15.008 401 HD12 ILE 48 1HD1 ILE 48 -3.811 -0.673 14.041 402 HD13 ILE 48 2HD1 ILE 48 -5.343 0.092 14.466 403 H ILE 49 H ILE 49 -2.989 1.908 8.204 404 HA ILE 49 HA ILE 49 -2.246 -0.601 7.047 405 HB ILE 49 HB ILE 49 -1.577 2.155 6.012 406 HG12 ILE 49 2HG1 ILE 49 -4.009 0.489 5.349 407 HG13 ILE 49 1HG1 ILE 49 -4.026 1.810 6.512 408 HG21 ILE 49 1HG2 ILE 49 -1.994 0.616 3.840 409 HG22 ILE 49 2HG2 ILE 49 -1.354 -0.587 4.961 410 HG23 ILE 49 3HG2 ILE 49 -0.412 0.857 4.583 411 HD11 ILE 49 3HD1 ILE 49 -4.095 3.365 4.914 412 HD12 ILE 49 1HD1 ILE 49 -4.613 2.038 3.873 413 HD13 ILE 49 2HD1 ILE 49 -2.918 2.525 3.905 414 H ASP 50 H ASP 50 -0.619 -1.493 8.307 415 HA ASP 50 HA ASP 50 1.901 0.007 8.488 416 HB2 ASP 50 2HB ASP 50 2.549 -1.727 10.159 417 HB3 ASP 50 1HB ASP 50 1.114 -0.817 10.623 418 H ASP 51 H ASP 51 3.800 -1.827 8.625 419 HA ASP 51 HA ASP 51 4.260 -2.595 5.985 420 HB2 ASP 51 2HB ASP 51 5.922 -2.312 7.953 421 HB3 ASP 51 1HB ASP 51 5.557 -3.998 8.307 422 H GLU 52 H GLU 52 2.707 -4.283 8.613 423 HA GLU 52 HA GLU 52 2.783 -6.877 7.448 424 HB2 GLU 52 2HB GLU 52 2.183 -5.968 9.913 425 HB3 GLU 52 1HB GLU 52 0.558 -6.193 9.282 426 HG2 GLU 52 2HG GLU 52 1.062 -8.202 10.346 427 HG3 GLU 52 1HG GLU 52 1.308 -8.534 8.632 428 H ILE 53 H ILE 53 0.538 -4.179 7.302 429 HA ILE 53 HA ILE 53 -1.497 -5.650 5.904 430 HB ILE 53 HB ILE 53 -1.216 -2.651 6.093 431 HG12 ILE 53 2HG1 ILE 53 -1.150 -3.663 8.337 432 HG13 ILE 53 1HG1 ILE 53 -2.648 -2.773 8.076 433 HG21 ILE 53 1HG2 ILE 53 -3.824 -4.065 5.994 434 HG22 ILE 53 2HG2 ILE 53 -2.881 -3.967 4.508 435 HG23 ILE 53 3HG2 ILE 53 -3.362 -2.491 5.345 436 HD11 ILE 53 3HD1 ILE 53 -2.296 -5.758 7.947 437 HD12 ILE 53 1HD1 ILE 53 -3.796 -4.893 7.607 438 HD13 ILE 53 2HD1 ILE 53 -3.095 -4.841 9.224 439 H ALA 54 H ALA 54 1.152 -3.504 5.036 440 HA ALA 54 HA ALA 54 0.415 -3.184 2.308 441 HB1 ALA 54 1HB ALA 54 2.808 -2.580 3.955 442 HB2 ALA 54 2HB ALA 54 1.854 -1.526 2.910 443 HB3 ALA 54 3HB ALA 54 3.012 -2.652 2.204 444 H ASN 55 H ASN 55 2.469 -5.465 4.039 445 HA ASN 55 HA ASN 55 3.596 -6.700 1.756 446 HB2 ASN 55 2HB ASN 55 4.453 -6.862 4.130 447 HB3 ASN 55 1HB ASN 55 3.144 -7.997 4.447 448 HD21 ASN 55 1HD2 ASN 55 5.945 -7.428 2.383 449 HD22 ASN 55 2HD2 ASN 55 6.320 -9.095 2.127 450 H GLU 56 H GLU 56 0.802 -7.520 3.786 451 HA GLU 56 HA GLU 56 0.110 -9.871 2.362 452 HB2 GLU 56 2HB GLU 56 -1.221 -8.133 4.385 453 HB3 GLU 56 1HB GLU 56 -2.225 -9.251 3.472 454 HG2 GLU 56 2HG GLU 56 0.232 -10.088 4.988 455 HG3 GLU 56 1HG GLU 56 -1.393 -10.094 5.676 456 H PHE 57 H PHE 57 -0.624 -6.487 1.932 457 HA PHE 57 HA PHE 57 -2.853 -6.688 0.254 458 HB2 PHE 57 2HB PHE 57 -2.034 -4.576 1.271 459 HB3 PHE 57 1HB PHE 57 -0.669 -4.595 0.161 460 HD1 PHE 57 2HD PHE 57 -4.393 -4.837 0.034 461 HD2 PHE 57 1HD PHE 57 -0.833 -3.295 -1.715 462 HE1 PHE 57 2HE PHE 57 -5.740 -3.632 -1.636 463 HE2 PHE 57 1HE PHE 57 -2.173 -2.086 -3.388 464 HZ PHE 57 HZ PHE 57 -4.630 -2.254 -3.348 465 H LEU 58 H LEU 58 0.545 -6.162 -0.709 466 HA LEU 58 HA LEU 58 0.121 -6.551 -3.454 467 HB2 LEU 58 2HB LEU 58 2.673 -7.112 -1.948 468 HB3 LEU 58 1HB LEU 58 2.515 -6.725 -3.650 469 HG LEU 58 HG LEU 58 1.891 -4.838 -1.377 470 HD11 LEU 58 1HD1 LEU 58 4.257 -5.035 -3.229 471 HD12 LEU 58 2HD1 LEU 58 4.251 -5.194 -1.473 472 HD13 LEU 58 3HD1 LEU 58 3.903 -3.633 -2.219 473 HD21 LEU 58 3HD2 LEU 58 1.874 -3.157 -3.248 474 HD22 LEU 58 1HD2 LEU 58 0.513 -4.280 -3.226 475 HD23 LEU 58 2HD2 LEU 58 1.835 -4.518 -4.368 476 H LYS 59 H LYS 59 1.185 -8.808 -0.931 477 HA LYS 59 HA LYS 59 1.624 -11.029 -2.573 478 HB2 LYS 59 2HB LYS 59 2.096 -10.609 -0.016 479 HB3 LYS 59 1HB LYS 59 0.527 -11.377 0.188 480 HG2 LYS 59 2HG LYS 59 1.897 -13.190 0.355 481 HG3 LYS 59 1HG LYS 59 1.574 -13.204 -1.380 482 HD2 LYS 59 2HD LYS 59 3.904 -13.501 -1.168 483 HD3 LYS 59 1HD LYS 59 3.685 -11.812 -1.633 484 HE2 LYS 59 2HE LYS 59 3.752 -11.297 0.865 485 HE3 LYS 59 1HE LYS 59 4.363 -12.938 1.069 486 HZ1 LYS 59 3HZ LYS 59 6.007 -12.099 -0.806 487 HZ2 LYS 59 1HZ LYS 59 6.319 -11.855 0.839 488 HZ3 LYS 59 2HZ LYS 59 5.666 -10.603 -0.094 489 H SER 60 H SER 60 -1.314 -9.668 -1.275 490 HA SER 60 HA SER 60 -2.942 -11.961 -1.858 491 HB2 SER 60 2HB SER 60 -3.752 -10.610 -0.098 492 HB3 SER 60 1HB SER 60 -3.546 -9.127 -1.030 493 HG SER 60 HG SER 60 -5.338 -11.172 -1.809 494 H ILE 61 H ILE 61 -2.162 -8.921 -3.451 495 HA ILE 61 HA ILE 61 -3.938 -9.591 -5.679 496 HB ILE 61 HB ILE 61 -3.359 -7.329 -6.534 497 HG12 ILE 61 2HG1 ILE 61 -2.280 -6.433 -3.954 498 HG13 ILE 61 1HG1 ILE 61 -1.201 -7.507 -4.840 499 HG21 ILE 61 1HG2 ILE 61 -5.010 -6.383 -5.319 500 HG22 ILE 61 2HG2 ILE 61 -4.263 -6.803 -3.777 501 HG23 ILE 61 3HG2 ILE 61 -5.170 -8.018 -4.677 502 HD11 ILE 61 3HD1 ILE 61 -1.282 -6.032 -6.762 503 HD12 ILE 61 1HD1 ILE 61 -0.761 -5.156 -5.322 504 HD13 ILE 61 2HD1 ILE 61 -2.411 -4.972 -5.918 505 H GLY 62 H GLY 62 -1.138 -10.756 -4.951 506 HA2 GLY 62 2HA GLY 62 0.722 -11.486 -6.084 507 HA3 GLY 62 1HA GLY 62 -0.319 -11.449 -7.499 508 H ALA 63 H ALA 63 1.115 -8.919 -5.433 509 HA ALA 63 HA ALA 63 1.983 -7.539 -7.871 510 HB1 ALA 63 1HB ALA 63 2.476 -5.738 -5.954 511 HB2 ALA 63 2HB ALA 63 1.204 -6.664 -5.159 512 HB3 ALA 63 3HB ALA 63 0.900 -5.915 -6.726 513 H GLU 64 H GLU 64 4.083 -7.156 -8.326 514 HA GLU 64 HA GLU 64 6.091 -7.994 -6.343 515 HB2 GLU 64 2HB GLU 64 5.563 -9.433 -8.570 516 HB3 GLU 64 1HB GLU 64 6.772 -8.324 -9.204 517 HG2 GLU 64 2HG GLU 64 8.448 -9.220 -7.970 518 HG3 GLU 64 1HG GLU 64 7.382 -9.662 -6.637 519 H VAL 65 H VAL 65 7.214 -6.267 -5.745 520 HA VAL 65 HA VAL 65 7.736 -4.162 -7.735 521 HB VAL 65 HB VAL 65 6.469 -3.421 -5.755 522 HG11 VAL 65 1HG1 VAL 65 8.927 -3.884 -4.098 523 HG12 VAL 65 2HG1 VAL 65 7.655 -5.100 -4.226 524 HG13 VAL 65 3HG1 VAL 65 7.289 -3.506 -3.569 525 HG21 VAL 65 3HG2 VAL 65 9.097 -2.338 -6.525 526 HG22 VAL 65 1HG2 VAL 65 8.427 -1.720 -5.015 527 HG23 VAL 65 2HG2 VAL 65 7.510 -1.570 -6.515 528 H GLU 66 H GLU 66 9.689 -4.320 -8.600 529 HA GLU 66 HA GLU 66 12.059 -4.055 -7.173 530 HB2 GLU 66 2HB GLU 66 11.093 -6.769 -7.268 531 HB3 GLU 66 1HB GLU 66 12.617 -6.644 -8.136 532 HG2 GLU 66 2HG GLU 66 13.666 -5.654 -6.176 533 HG3 GLU 66 1HG GLU 66 12.137 -5.744 -5.305 534 H LEU 67 H LEU 67 10.536 -5.423 -10.033 535 HA LEU 67 HA LEU 67 11.010 -5.272 -12.253 536 HB2 LEU 67 2HB LEU 67 12.141 -2.760 -11.120 537 HB3 LEU 67 1HB LEU 67 12.539 -3.166 -12.779 538 HG LEU 67 HG LEU 67 10.599 -1.635 -12.571 539 HD11 LEU 67 1HD1 LEU 67 9.012 -3.296 -13.895 540 HD12 LEU 67 2HD1 LEU 67 10.478 -4.276 -13.912 541 HD13 LEU 67 3HD1 LEU 67 10.494 -2.652 -14.600 542 HD21 LEU 67 3HD2 LEU 67 9.840 -3.118 -10.465 543 HD22 LEU 67 1HD2 LEU 67 8.829 -3.836 -11.717 544 HD23 LEU 67 2HD2 LEU 67 8.732 -2.105 -11.389 545 HA PRO 68 HA PRO 68 15.214 -7.161 -11.630 546 HB2 PRO 68 2HB PRO 68 14.595 -9.651 -12.439 547 HB3 PRO 68 1HB PRO 68 14.287 -9.102 -10.786 548 HG2 PRO 68 2HG PRO 68 12.389 -9.324 -13.093 549 HG3 PRO 68 1HG PRO 68 12.148 -9.788 -11.399 550 HD2 PRO 68 2HD PRO 68 11.212 -7.456 -12.460 551 HD3 PRO 68 1HD PRO 68 11.657 -7.641 -10.751 552 H GLN 69 H GLN 69 16.128 -6.029 -13.334 553 HA GLN 69 HA GLN 69 15.603 -7.091 -16.031 554 HB2 GLN 69 2HB GLN 69 16.629 -4.859 -16.774 555 HB3 GLN 69 1HB GLN 69 15.002 -4.829 -16.107 556 HG2 GLN 69 2HG GLN 69 15.610 -3.571 -14.364 557 HG3 GLN 69 1HG GLN 69 17.111 -4.461 -14.117 558 HE21 GLN 69 1HE2 GLN 69 15.570 -1.941 -16.014 559 HE22 GLN 69 2HE2 GLN 69 17.024 -1.110 -16.440 560 H GLU 70 H GLU 70 18.077 -6.150 -13.720 561 HA GLU 70 HA GLU 70 20.106 -7.372 -15.473 562 HB2 GLU 70 2HB GLU 70 20.186 -4.847 -14.601 563 HB3 GLU 70 1HB GLU 70 20.929 -5.626 -13.210 564 HG2 GLU 70 2HG GLU 70 22.825 -6.102 -14.318 565 HG3 GLU 70 1HG GLU 70 21.984 -6.441 -15.830 566 H ILE 71 H ILE 71 19.792 -6.689 -11.985 567 HA ILE 71 HA ILE 71 20.152 -9.531 -11.415 568 HB ILE 71 HB ILE 71 22.423 -8.595 -11.402 569 HG12 ILE 71 2HG1 ILE 71 21.520 -9.152 -8.573 570 HG13 ILE 71 1HG1 ILE 71 21.685 -10.405 -9.799 571 HG21 ILE 71 1HG2 ILE 71 23.114 -6.850 -9.980 572 HG22 ILE 71 2HG2 ILE 71 21.593 -6.872 -9.085 573 HG23 ILE 71 3HG2 ILE 71 21.630 -6.278 -10.746 574 HD11 ILE 71 3HD1 ILE 71 23.927 -10.417 -9.669 575 HD12 ILE 71 1HD1 ILE 71 23.618 -9.746 -8.067 576 HD13 ILE 71 2HD1 ILE 71 24.033 -8.676 -9.407 577 H LYS 72 H LYS 72 19.143 -10.212 -9.579 578 HA LYS 72 HA LYS 72 17.690 -10.192 -7.830 579 HB2 LYS 72 2HB LYS 72 19.414 -7.832 -7.385 580 HB3 LYS 72 1HB LYS 72 17.897 -7.840 -6.498 581 HG2 LYS 72 2HG LYS 72 18.466 -9.715 -5.276 582 HG3 LYS 72 1HG LYS 72 19.660 -10.249 -6.460 583 HD2 LYS 72 2HD LYS 72 21.295 -9.056 -5.503 584 HD3 LYS 72 1HD LYS 72 20.267 -7.633 -5.322 585 HE2 LYS 72 2HE LYS 72 21.012 -8.479 -3.153 586 HE3 LYS 72 1HE LYS 72 19.262 -8.599 -3.324 587 HZ1 LYS 72 3HZ LYS 72 19.746 -10.977 -4.088 588 HZ2 LYS 72 1HZ LYS 72 19.878 -10.633 -2.435 589 HZ3 LYS 72 2HZ LYS 72 21.271 -10.760 -3.388
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