NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18953 | 2e8d | 10022 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1HT SER 1 15.144 4.912 -8.472 2 2H SER 1 2HT SER 1 16.619 5.454 -9.161 3 3H SER 1 3HT SER 1 15.398 6.585 -8.739 4 HA SER 1 HA SER 1 16.645 4.814 -6.765 5 1HB SER 1 2HB SER 1 18.266 6.543 -6.306 6 2HB SER 1 1HB SER 1 18.356 6.160 -8.026 7 HG SER 1 HG SER 1 16.893 8.004 -8.309 8 H ASN 2 H ASN 2 13.903 5.720 -7.144 9 HA ASN 2 HA ASN 2 13.330 6.594 -4.545 10 1HB ASN 2 2HB ASN 2 12.508 8.869 -4.981 11 2HB ASN 2 1HB ASN 2 14.235 8.743 -5.301 12 1HD2 ASN 2 1HD2 ASN 2 14.927 8.599 -7.502 13 2HD2 ASN 2 2HD2 ASN 2 13.964 9.286 -8.761 14 H PHE 3 H PHE 3 11.596 5.329 -4.343 15 HA PHE 3 HA PHE 3 9.660 5.157 -6.523 16 1HB PHE 3 2HB PHE 3 10.582 3.116 -5.293 17 2HB PHE 3 1HB PHE 3 9.584 3.617 -3.932 18 HD1 PHE 3 1HD PHE 3 7.055 4.127 -4.605 19 HD2 PHE 3 2HD PHE 3 9.705 1.574 -6.742 20 HE1 PHE 3 1HE PHE 3 5.130 2.954 -5.589 21 HE2 PHE 3 2HE PHE 3 7.781 0.397 -7.724 22 HZ PHE 3 HZ PHE 3 5.490 1.088 -7.145 23 H LEU 4 H LEU 4 7.569 5.832 -6.387 24 HA LEU 4 HA LEU 4 6.698 7.081 -3.876 25 1HB LEU 4 2HB LEU 4 7.433 8.485 -6.169 26 2HB LEU 4 1HB LEU 4 5.680 8.467 -6.214 27 HG LEU 4 HG LEU 4 5.999 9.214 -3.669 28 1HD1 LEU 4 1HD1 LEU 4 7.891 10.477 -3.239 29 2HD1 LEU 4 2HD1 LEU 4 8.303 10.629 -4.947 30 3HD1 LEU 4 3HD1 LEU 4 8.543 9.092 -4.115 31 1HD2 LEU 4 1HD2 LEU 4 6.195 11.043 -6.058 32 2HD2 LEU 4 2HD2 LEU 4 5.718 11.526 -4.430 33 3HD2 LEU 4 3HD2 LEU 4 4.710 10.409 -5.349 34 H ASN 5 H ASN 5 5.552 5.028 -3.670 35 HA ASN 5 HA ASN 5 3.557 4.229 -5.518 36 1HB ASN 5 2HB ASN 5 4.566 2.722 -3.806 37 2HB ASN 5 1HB ASN 5 3.710 3.618 -2.557 38 1HD2 ASN 5 1HD2 ASN 5 2.353 2.092 -1.833 39 2HD2 ASN 5 2HD2 ASN 5 1.147 1.316 -2.797 40 H CYS 6 H CYS 6 1.977 5.633 -6.045 41 HA CYS 6 HA CYS 6 0.515 6.933 -3.839 42 1HB CYS 6 2HB CYS 6 -0.119 8.680 -5.486 43 2HB CYS 6 1HB CYS 6 1.618 8.592 -5.213 44 HG CYS 6 HG CYS 6 0.731 8.720 -7.831 45 H TYR 7 H TYR 7 -1.770 7.161 -4.065 46 HA TYR 7 HA TYR 7 -3.321 6.145 -6.141 47 1HB TYR 7 2HB TYR 7 -2.452 3.955 -5.660 48 2HB TYR 7 1HB TYR 7 -2.757 4.153 -3.938 49 HD1 TYR 7 1HD TYR 7 -4.162 2.284 -3.573 50 HD2 TYR 7 2HD TYR 7 -5.103 5.054 -6.662 51 HE1 TYR 7 1HE TYR 7 -6.367 1.230 -3.838 52 HE2 TYR 7 2HE TYR 7 -7.311 4.009 -6.934 53 HH TYR 7 HH TYR 7 -8.109 1.015 -5.570 54 H VAL 8 H VAL 8 -5.061 7.366 -5.862 55 HA VAL 8 HA VAL 8 -6.225 7.555 -3.162 56 HB VAL 8 HB VAL 8 -5.146 9.679 -3.696 57 1HG1 VAL 8 1HG1 VAL 8 -5.399 10.853 -5.628 58 2HG1 VAL 8 2HG1 VAL 8 -7.033 10.253 -5.912 59 3HG1 VAL 8 3HG1 VAL 8 -5.643 9.225 -6.260 60 1HG2 VAL 8 1HG2 VAL 8 -6.790 10.792 -2.678 61 2HG2 VAL 8 2HG2 VAL 8 -7.760 9.329 -2.850 62 3HG2 VAL 8 3HG2 VAL 8 -7.872 10.609 -4.059 63 H SER 9 H SER 9 -7.847 6.084 -3.459 64 HA SER 9 HA SER 9 -9.829 5.215 -4.165 65 1HB SER 9 2HB SER 9 -10.424 7.678 -3.629 66 2HB SER 9 1HB SER 9 -10.490 7.889 -5.379 67 HG SER 9 HG SER 9 -12.429 7.079 -3.925 68 H GLY 10 H GLY 10 -11.258 4.842 -6.137 69 1HA GLY 10 2HA GLY 10 -11.499 4.738 -8.496 70 2HA GLY 10 1HA GLY 10 -9.818 5.221 -8.664 71 H PHE 11 H PHE 11 -8.671 3.660 -9.570 72 HA PHE 11 HA PHE 11 -7.777 1.621 -10.036 73 1HB PHE 11 2HB PHE 11 -7.378 1.496 -7.619 74 2HB PHE 11 1HB PHE 11 -8.994 0.844 -7.377 75 HD1 PHE 11 1HD PHE 11 -5.718 0.152 -8.953 76 HD2 PHE 11 2HD PHE 11 -9.411 -1.450 -7.573 77 HE1 PHE 11 1HE PHE 11 -4.837 -2.125 -9.256 78 HE2 PHE 11 2HE PHE 11 -8.537 -3.731 -7.872 79 HZ PHE 11 HZ PHE 11 -6.248 -4.071 -8.713 80 H HIS 12 H HIS 12 -8.365 -0.076 -11.285 81 HA HIS 12 HA HIS 12 -11.215 -0.468 -11.706 82 1HB HIS 12 2HB HIS 12 -8.755 -1.337 -13.217 83 2HB HIS 12 1HB HIS 12 -10.364 -1.920 -13.631 84 HD1 HIS 12 1HD HIS 12 -11.437 -0.607 -15.420 85 HD2 HIS 12 2HD HIS 12 -8.786 1.700 -13.202 86 HE1 HIS 12 1HE HIS 12 -11.471 1.669 -16.488 87 HE2 HIS 12 2HE HIS 12 -9.908 3.066 -15.090 88 HA PRO 13 HA PRO 13 -11.554 -4.284 -9.528 89 1HB PRO 13 2HB PRO 13 -13.328 -5.638 -11.098 90 2HB PRO 13 1HB PRO 13 -13.792 -4.313 -10.023 91 1HG PRO 13 2HG PRO 13 -13.285 -4.272 -12.974 92 2HG PRO 13 1HG PRO 13 -14.576 -3.482 -12.047 93 1HD PRO 13 2HD PRO 13 -12.402 -2.140 -12.914 94 2HD PRO 13 1HD PRO 13 -13.207 -1.744 -11.383 95 H SER 14 H SER 14 -9.509 -5.200 -9.739 96 HA SER 14 HA SER 14 -9.331 -7.606 -11.175 97 1HB SER 14 2HB SER 14 -9.040 -5.840 -13.029 98 2HB SER 14 1HB SER 14 -7.459 -5.536 -12.308 99 HG SER 14 HG SER 14 -8.422 -7.991 -13.355 100 H ASP 15 H ASP 15 -6.741 -8.137 -11.378 101 HA ASP 15 HA ASP 15 -5.698 -7.592 -8.680 102 1HB ASP 15 2HB ASP 15 -6.192 -9.952 -9.088 103 2HB ASP 15 1HB ASP 15 -5.169 -9.935 -10.522 104 H ILE 16 H ILE 16 -4.623 -5.664 -9.230 105 HA ILE 16 HA ILE 16 -2.014 -6.076 -10.403 106 HB ILE 16 HB ILE 16 -2.205 -4.269 -12.058 107 1HG1 ILE 16 2HG1 ILE 16 -5.178 -4.370 -11.513 108 2HG1 ILE 16 1HG1 ILE 16 -4.110 -3.099 -10.927 109 1HG2 ILE 16 1HG2 ILE 16 -4.317 -6.353 -12.553 110 2HG2 ILE 16 2HG2 ILE 16 -2.585 -6.670 -12.649 111 3HG2 ILE 16 3HG2 ILE 16 -3.332 -5.509 -13.747 112 1HD1 ILE 16 1HD1 ILE 16 -3.776 -3.442 -13.753 113 2HD1 ILE 16 2HD1 ILE 16 -4.273 -2.013 -12.845 114 3HD1 ILE 16 3HD1 ILE 16 -5.477 -3.197 -13.358 115 H GLU 17 H GLU 17 -1.057 -3.629 -10.686 116 HA GLU 17 HA GLU 17 -1.698 -1.498 -9.170 117 1HB GLU 17 2HB GLU 17 -1.081 -3.697 -7.415 118 2HB GLU 17 1HB GLU 17 0.107 -2.422 -7.201 119 1HG GLU 17 2HG GLU 17 -2.870 -2.246 -6.863 120 2HG GLU 17 1HG GLU 17 -1.615 -2.027 -5.645 121 H VAL 18 H VAL 18 1.290 -3.283 -8.514 122 HA VAL 18 HA VAL 18 2.912 -2.513 -10.565 123 HB VAL 18 HB VAL 18 2.284 -0.225 -8.847 124 1HG1 VAL 18 1HG1 VAL 18 4.609 0.705 -8.944 125 2HG1 VAL 18 2HG1 VAL 18 5.173 -0.917 -9.345 126 3HG1 VAL 18 3HG1 VAL 18 4.387 -0.614 -7.795 127 1HG2 VAL 18 1HG2 VAL 18 3.940 0.099 -11.255 128 2HG2 VAL 18 2HG2 VAL 18 2.444 0.907 -10.784 129 3HG2 VAL 18 3HG2 VAL 18 2.389 -0.704 -11.501 130 H ASP 19 H ASP 19 4.567 -3.853 -10.281 131 HA ASP 19 HA ASP 19 5.795 -4.052 -7.626 132 1HB ASP 19 2HB ASP 19 5.994 -6.550 -7.991 133 2HB ASP 19 1HB ASP 19 4.372 -5.959 -7.642 134 H LEU 20 H LEU 20 7.980 -4.372 -7.618 135 HA LEU 20 HA LEU 20 9.377 -5.063 -10.056 136 1HB LEU 20 2HB LEU 20 10.646 -3.077 -10.272 137 2HB LEU 20 1HB LEU 20 8.967 -2.586 -10.169 138 HG LEU 20 HG LEU 20 11.047 -2.382 -7.993 139 1HD1 LEU 20 1HD1 LEU 20 9.469 -0.231 -9.386 140 2HD1 LEU 20 2HD1 LEU 20 11.112 -0.700 -9.825 141 3HD1 LEU 20 3HD1 LEU 20 10.784 -0.021 -8.230 142 1HD2 LEU 20 1HD2 LEU 20 9.139 -2.868 -6.774 143 2HD2 LEU 20 2HD2 LEU 20 8.074 -2.074 -7.934 144 3HD2 LEU 20 3HD2 LEU 20 9.091 -1.107 -6.867 145 H LEU 21 H LEU 21 10.672 -6.613 -9.341 146 HA LEU 21 HA LEU 21 11.772 -6.486 -6.650 147 1HB LEU 21 2HB LEU 21 11.734 -8.619 -8.770 148 2HB LEU 21 1HB LEU 21 12.693 -8.776 -7.311 149 HG LEU 21 HG LEU 21 9.700 -8.392 -7.332 150 1HD1 LEU 21 1HD1 LEU 21 10.592 -10.557 -8.346 151 2HD1 LEU 21 2HD1 LEU 21 9.431 -10.696 -7.025 152 3HD1 LEU 21 3HD1 LEU 21 11.150 -10.945 -6.718 153 1HD2 LEU 21 1HD2 LEU 21 10.194 -9.443 -4.962 154 2HD2 LEU 21 2HD2 LEU 21 10.306 -7.705 -5.242 155 3HD2 LEU 21 3HD2 LEU 21 11.769 -8.691 -5.219 156 H LYS 22 H LYS 22 12.770 -6.140 -9.964 157 HA LYS 22 HA LYS 22 14.707 -5.422 -10.912 158 1HB LYS 22 2HB LYS 22 14.542 -3.816 -8.889 159 2HB LYS 22 1HB LYS 22 15.802 -4.816 -8.178 160 1HG LYS 22 2HG LYS 22 16.800 -4.304 -10.674 161 2HG LYS 22 1HG LYS 22 15.964 -2.802 -10.279 162 1HD LYS 22 2HD LYS 22 17.184 -2.813 -8.085 163 2HD LYS 22 1HD LYS 22 18.131 -4.171 -8.694 164 1HE LYS 22 2HE LYS 22 19.477 -2.348 -9.187 165 2HE LYS 22 1HE LYS 22 18.622 -2.624 -10.704 166 1HZ LYS 22 1HZ LYS 22 18.219 -0.434 -10.530 167 2HZ LYS 22 2HZ LYS 22 18.438 -0.397 -8.854 168 3HZ LYS 22 3HZ LYS 22 16.967 -0.923 -9.501 169 1H SER 23 1HT SER 23 16.351 2.276 -0.543 170 2H SER 23 2HT SER 23 14.931 2.617 -1.446 171 3H SER 23 3HT SER 23 14.975 2.929 0.241 172 HA SER 23 HA SER 23 16.444 4.672 0.005 173 1HB SER 23 2HB SER 23 17.079 5.082 -2.592 174 2HB SER 23 1HB SER 23 18.084 4.137 -1.492 175 HG SER 23 HG SER 23 17.389 2.304 -2.399 176 H ASN 24 H ASN 24 14.711 5.952 0.463 177 HA ASN 24 HA ASN 24 13.031 7.447 0.130 178 1HB ASN 24 2HB ASN 24 14.809 7.958 -1.845 179 2HB ASN 24 1HB ASN 24 13.385 7.568 -2.807 180 1HD2 ASN 24 1HD2 ASN 24 14.249 9.450 0.077 181 2HD2 ASN 24 2HD2 ASN 24 13.279 10.822 -0.320 182 H PHE 25 H PHE 25 11.167 6.398 0.529 183 HA PHE 25 HA PHE 25 9.688 5.380 -1.770 184 1HB PHE 25 2HB PHE 25 10.293 3.270 -1.163 185 2HB PHE 25 1HB PHE 25 10.676 3.741 0.488 186 HD1 PHE 25 1HD PHE 25 8.152 2.404 -1.745 187 HD2 PHE 25 2HD PHE 25 8.898 3.865 2.182 188 HE1 PHE 25 1HE PHE 25 6.056 1.374 -0.966 189 HE2 PHE 25 2HE PHE 25 6.806 2.838 2.965 190 HZ PHE 25 HZ PHE 25 5.383 1.590 1.393 191 H LEU 26 H LEU 26 7.621 6.005 -1.735 192 HA LEU 26 HA LEU 26 6.451 6.847 0.831 193 1HB LEU 26 2HB LEU 26 6.276 8.298 -1.810 194 2HB LEU 26 1HB LEU 26 5.320 8.699 -0.395 195 HG LEU 26 HG LEU 26 7.518 9.088 0.820 196 1HD1 LEU 26 1HD1 LEU 26 9.189 9.829 -1.210 197 2HD1 LEU 26 2HD1 LEU 26 8.492 8.332 -1.830 198 3HD1 LEU 26 3HD1 LEU 26 9.321 8.341 -0.273 199 1HD2 LEU 26 1HD2 LEU 26 7.877 11.269 -0.665 200 2HD2 LEU 26 2HD2 LEU 26 6.490 11.069 0.404 201 3HD2 LEU 26 3HD2 LEU 26 6.325 10.751 -1.322 202 H ASN 27 H ASN 27 4.712 5.673 1.258 203 HA ASN 27 HA ASN 27 3.167 4.558 -0.981 204 1HB ASN 27 2HB ASN 27 4.057 2.884 0.560 205 2HB ASN 27 1HB ASN 27 3.289 3.697 1.919 206 1HD2 ASN 27 1HD2 ASN 27 0.936 3.816 1.893 207 2HD2 ASN 27 2HD2 ASN 27 0.043 2.519 1.182 208 H CYS 28 H CYS 28 1.906 6.386 -1.405 209 HA CYS 28 HA CYS 28 0.207 7.389 0.752 210 1HB CYS 28 2HB CYS 28 1.415 8.979 -0.762 211 2HB CYS 28 1HB CYS 28 0.424 8.390 -2.092 212 HG CYS 28 HG CYS 28 -1.032 9.666 0.318 213 H TYR 29 H TYR 29 -1.573 6.230 1.088 214 HA TYR 29 HA TYR 29 -3.265 5.597 -1.223 215 1HB TYR 29 2HB TYR 29 -2.099 3.530 -0.602 216 2HB TYR 29 1HB TYR 29 -2.661 3.701 1.056 217 HD1 TYR 29 1HD TYR 29 -3.726 1.515 1.037 218 HD2 TYR 29 2HD TYR 29 -4.859 4.511 -1.765 219 HE1 TYR 29 1HE TYR 29 -5.744 0.225 0.483 220 HE2 TYR 29 2HE TYR 29 -6.882 3.229 -2.325 221 HH TYR 29 HH TYR 29 -7.330 0.008 -1.412 222 H VAL 30 H VAL 30 -5.292 6.295 -0.970 223 HA VAL 30 HA VAL 30 -6.413 6.508 1.724 224 HB VAL 30 HB VAL 30 -5.476 8.715 1.288 225 1HG1 VAL 30 1HG1 VAL 30 -5.681 9.871 -0.635 226 2HG1 VAL 30 2HG1 VAL 30 -7.339 9.337 -0.905 227 3HG1 VAL 30 3HG1 VAL 30 -5.992 8.276 -1.320 228 1HG2 VAL 30 1HG2 VAL 30 -8.462 8.902 0.965 229 2HG2 VAL 30 2HG2 VAL 30 -7.383 10.007 1.817 230 3HG2 VAL 30 3HG2 VAL 30 -7.692 8.398 2.469 231 H SER 31 H SER 31 -8.708 6.665 1.789 232 HA SER 31 HA SER 31 -10.852 6.301 1.102 233 1HB SER 31 2HB SER 31 -10.106 7.790 -0.877 234 2HB SER 31 1HB SER 31 -9.972 6.276 -1.776 235 HG SER 31 HG SER 31 -12.148 7.695 -1.310 236 H GLY 32 H GLY 32 -12.200 4.576 0.250 237 1HA GLY 32 2HA GLY 32 -10.660 2.111 -0.290 238 2HA GLY 32 1HA GLY 32 -12.033 2.140 0.806 239 H PHE 33 H PHE 33 -12.685 0.356 -0.708 240 HA PHE 33 HA PHE 33 -14.783 1.195 -2.353 241 1HB PHE 33 2HB PHE 33 -13.891 0.547 -4.581 242 2HB PHE 33 1HB PHE 33 -13.086 1.961 -3.908 243 HD1 PHE 33 1HD PHE 33 -10.797 1.782 -3.028 244 HD2 PHE 33 2HD PHE 33 -12.713 -1.483 -4.971 245 HE1 PHE 33 1HE PHE 33 -8.616 0.680 -3.320 246 HE2 PHE 33 2HE PHE 33 -10.538 -2.589 -5.267 247 HZ PHE 33 HZ PHE 33 -8.485 -1.509 -4.442 248 H HIS 34 H HIS 34 -15.253 -0.781 -4.043 249 HA HIS 34 HA HIS 34 -15.942 -2.966 -2.434 250 1HB HIS 34 2HB HIS 34 -15.626 -3.100 -5.431 251 2HB HIS 34 1HB HIS 34 -16.744 -4.004 -4.418 252 HD1 HIS 34 1HD HIS 34 -17.797 -1.488 -2.808 253 HD2 HIS 34 2HD HIS 34 -17.545 -1.819 -6.942 254 HE1 HIS 34 1HE HIS 34 -19.472 0.152 -3.717 255 HE2 HIS 34 2HE HIS 34 -19.376 -0.142 -6.217 256 HA PRO 35 HA PRO 35 -12.599 -5.814 -2.203 257 1HB PRO 35 2HB PRO 35 -14.126 -7.727 -3.907 258 2HB PRO 35 1HB PRO 35 -13.369 -7.981 -2.330 259 1HG PRO 35 2HG PRO 35 -16.005 -7.705 -2.524 260 2HG PRO 35 1HG PRO 35 -15.114 -6.964 -1.181 261 1HD PRO 35 2HD PRO 35 -16.259 -5.695 -3.628 262 2HD PRO 35 1HD PRO 35 -16.152 -5.061 -1.974 263 H SER 36 H SER 36 -10.833 -6.663 -3.358 264 HA SER 36 HA SER 36 -10.692 -6.997 -6.130 265 1HB SER 36 2HB SER 36 -9.801 -5.018 -6.978 266 2HB SER 36 1HB SER 36 -11.013 -4.417 -5.847 267 HG SER 36 HG SER 36 -8.520 -3.772 -5.863 268 H ASP 37 H ASP 37 -8.205 -6.660 -6.833 269 HA ASP 37 HA ASP 37 -6.601 -7.830 -4.655 270 1HB ASP 37 2HB ASP 37 -6.936 -8.619 -7.499 271 2HB ASP 37 1HB ASP 37 -5.321 -8.765 -6.816 272 H ILE 38 H ILE 38 -5.530 -6.050 -3.958 273 HA ILE 38 HA ILE 38 -4.095 -4.396 -5.906 274 HB ILE 38 HB ILE 38 -4.455 -3.990 -2.930 275 1HG1 ILE 38 2HG1 ILE 38 -5.861 -2.731 -5.294 276 2HG1 ILE 38 1HG1 ILE 38 -6.579 -3.813 -4.104 277 1HG2 ILE 38 1HG2 ILE 38 -2.416 -2.970 -4.100 278 2HG2 ILE 38 2HG2 ILE 38 -3.443 -1.899 -3.148 279 3HG2 ILE 38 3HG2 ILE 38 -3.578 -1.914 -4.905 280 1HD1 ILE 38 1HD1 ILE 38 -5.350 -1.492 -2.878 281 2HD1 ILE 38 2HD1 ILE 38 -6.979 -2.143 -2.699 282 3HD1 ILE 38 3HD1 ILE 38 -6.603 -1.064 -4.043 283 H GLU 39 H GLU 39 -2.115 -5.097 -6.422 284 HA GLU 39 HA GLU 39 -0.496 -6.372 -4.311 285 1HB GLU 39 2HB GLU 39 -1.202 -7.623 -6.501 286 2HB GLU 39 1HB GLU 39 0.108 -6.699 -7.224 287 1HG GLU 39 2HG GLU 39 1.683 -7.963 -6.275 288 2HG GLU 39 1HG GLU 39 0.839 -8.025 -4.728 289 H VAL 40 H VAL 40 0.906 -4.962 -3.486 290 HA VAL 40 HA VAL 40 2.396 -3.234 -5.358 291 HB VAL 40 HB VAL 40 1.766 -2.598 -2.472 292 1HG1 VAL 40 1HG1 VAL 40 3.350 -1.258 -4.606 293 2HG1 VAL 40 2HG1 VAL 40 3.675 -1.401 -2.878 294 3HG1 VAL 40 3HG1 VAL 40 2.462 -0.258 -3.457 295 1HG2 VAL 40 1HG2 VAL 40 -0.066 -1.432 -3.091 296 2HG2 VAL 40 2HG2 VAL 40 -0.064 -2.555 -4.450 297 3HG2 VAL 40 3HG2 VAL 40 0.632 -0.946 -4.635 298 H ASP 41 H ASP 41 4.510 -3.620 -5.446 299 HA ASP 41 HA ASP 41 5.891 -4.633 -3.072 300 1HB ASP 41 2HB ASP 41 5.221 -6.544 -4.612 301 2HB ASP 41 1HB ASP 41 6.335 -5.864 -5.794 302 H LEU 42 H LEU 42 7.611 -3.420 -2.682 303 HA LEU 42 HA LEU 42 8.932 -2.081 -4.951 304 1HB LEU 42 2HB LEU 42 9.049 -0.998 -2.165 305 2HB LEU 42 1HB LEU 42 9.278 -0.159 -3.686 306 HG LEU 42 HG LEU 42 7.233 0.622 -2.797 307 1HD1 LEU 42 1HD1 LEU 42 6.004 -1.363 -4.588 308 2HD1 LEU 42 2HD1 LEU 42 7.364 -0.463 -5.258 309 3HD1 LEU 42 3HD1 LEU 42 5.957 0.398 -4.634 310 1HD2 LEU 42 1HD2 LEU 42 5.860 -1.973 -2.646 311 2HD2 LEU 42 2HD2 LEU 42 5.756 -0.566 -1.588 312 3HD2 LEU 42 3HD2 LEU 42 7.099 -1.697 -1.422 313 H LEU 43 H LEU 43 10.844 -2.982 -5.341 314 HA LEU 43 HA LEU 43 12.580 -3.617 -3.058 315 1HB LEU 43 2HB LEU 43 11.363 -5.584 -4.448 316 2HB LEU 43 1HB LEU 43 12.804 -5.374 -5.425 317 HG LEU 43 HG LEU 43 13.907 -5.505 -2.950 318 1HD1 LEU 43 1HD1 LEU 43 11.887 -7.675 -2.774 319 2HD1 LEU 43 2HD1 LEU 43 11.425 -6.058 -2.242 320 3HD1 LEU 43 3HD1 LEU 43 12.802 -6.871 -1.499 321 1HD2 LEU 43 1HD2 LEU 43 13.367 -7.490 -5.093 322 2HD2 LEU 43 2HD2 LEU 43 14.048 -8.069 -3.573 323 3HD2 LEU 43 3HD2 LEU 43 14.899 -6.842 -4.510 324 H LYS 44 H LYS 44 13.659 -1.646 -3.483 325 HA LYS 44 HA LYS 44 15.627 -1.871 -5.622 326 1HB LYS 44 2HB LYS 44 13.519 0.209 -5.461 327 2HB LYS 44 1HB LYS 44 15.139 0.768 -5.853 328 1HG LYS 44 2HG LYS 44 15.229 -0.586 -7.800 329 2HG LYS 44 1HG LYS 44 13.759 -1.449 -7.341 330 1HD LYS 44 2HD LYS 44 12.760 0.009 -8.736 331 2HD LYS 44 1HD LYS 44 12.864 1.109 -7.360 332 1HE LYS 44 2HE LYS 44 14.768 0.902 -9.687 333 2HE LYS 44 1HE LYS 44 13.681 2.240 -9.313 334 1HZ LYS 44 1HZ LYS 44 15.942 1.365 -7.597 335 2HZ LYS 44 2HZ LYS 44 14.943 2.705 -7.334 336 3HZ LYS 44 3HZ LYS 44 15.990 2.679 -8.662 337 1H SER 45 1HT SER 45 14.710 2.242 4.505 338 2H SER 45 2HT SER 45 15.364 3.208 5.765 339 3H SER 45 3HT SER 45 16.326 1.998 5.019 340 HA SER 45 HA SER 45 16.831 4.270 4.319 341 1HB SER 45 2HB SER 45 15.754 2.582 2.061 342 2HB SER 45 1HB SER 45 17.201 3.592 2.080 343 HG SER 45 HG SER 45 16.801 1.027 3.080 344 H ASN 46 H ASN 46 15.041 5.613 5.188 345 HA ASN 46 HA ASN 46 13.405 7.167 4.907 346 1HB ASN 46 2HB ASN 46 14.599 6.837 2.237 347 2HB ASN 46 1HB ASN 46 12.976 7.518 2.227 348 1HD2 ASN 46 1HD2 ASN 46 16.232 7.918 3.463 349 2HD2 ASN 46 2HD2 ASN 46 16.116 9.618 3.749 350 H PHE 47 H PHE 47 12.114 5.239 5.740 351 HA PHE 47 HA PHE 47 10.255 4.139 3.783 352 1HB PHE 47 2HB PHE 47 10.998 2.490 5.293 353 2HB PHE 47 1HB PHE 47 10.828 3.558 6.681 354 HD1 PHE 47 1HD PHE 47 8.525 2.461 3.951 355 HD2 PHE 47 2HD PHE 47 9.236 2.796 8.129 356 HE1 PHE 47 1HE PHE 47 6.292 1.533 4.401 357 HE2 PHE 47 2HE PHE 47 7.006 1.867 8.588 358 HZ PHE 47 HZ PHE 47 5.530 1.232 6.723 359 H LEU 48 H LEU 48 8.702 5.532 3.218 360 HA LEU 48 HA LEU 48 7.276 6.957 5.366 361 1HB LEU 48 2HB LEU 48 8.579 8.189 3.429 362 2HB LEU 48 1HB LEU 48 7.122 7.836 2.520 363 HG LEU 48 HG LEU 48 6.572 9.031 5.130 364 1HD1 LEU 48 1HD1 LEU 48 8.561 10.267 4.856 365 2HD1 LEU 48 2HD1 LEU 48 7.255 11.324 4.318 366 3HD1 LEU 48 3HD1 LEU 48 8.269 10.500 3.132 367 1HD2 LEU 48 1HD2 LEU 48 5.789 10.341 2.610 368 2HD2 LEU 48 2HD2 LEU 48 4.821 9.925 4.024 369 3HD2 LEU 48 3HD2 LEU 48 5.216 8.687 2.831 370 H ASN 49 H ASN 49 5.577 5.671 5.820 371 HA ASN 49 HA ASN 49 3.867 4.839 3.568 372 1HB ASN 49 2HB ASN 49 4.798 2.905 4.715 373 2HB ASN 49 1HB ASN 49 4.232 3.517 6.266 374 1HD2 ASN 49 1HD2 ASN 49 3.275 2.147 3.202 375 2HD2 ASN 49 2HD2 ASN 49 1.702 1.637 3.700 376 H CYS 50 H CYS 50 2.089 6.026 3.422 377 HA CYS 50 HA CYS 50 0.788 6.914 5.909 378 1HB CYS 50 2HB CYS 50 0.021 8.926 4.514 379 2HB CYS 50 1HB CYS 50 1.694 8.906 5.057 380 HG CYS 50 HG CYS 50 2.088 9.429 2.674 381 H TYR 51 H TYR 51 -1.273 6.339 6.113 382 HA TYR 51 HA TYR 51 -2.839 5.754 3.702 383 1HB TYR 51 2HB TYR 51 -2.021 3.606 4.552 384 2HB TYR 51 1HB TYR 51 -2.679 3.972 6.142 385 HD1 TYR 51 1HD TYR 51 -4.664 2.932 6.674 386 HD2 TYR 51 2HD TYR 51 -3.887 3.880 2.601 387 HE1 TYR 51 1HE TYR 51 -6.801 1.898 6.032 388 HE2 TYR 51 2HE TYR 51 -6.020 2.848 1.946 389 HH TYR 51 HH TYR 51 -7.737 0.809 3.851 390 H VAL 52 H VAL 52 -4.693 6.831 3.716 391 HA VAL 52 HA VAL 52 -5.800 7.685 6.311 392 HB VAL 52 HB VAL 52 -6.221 9.051 3.654 393 1HG1 VAL 52 1HG1 VAL 52 -6.577 10.486 6.200 394 2HG1 VAL 52 2HG1 VAL 52 -7.756 9.217 5.866 395 3HG1 VAL 52 3HG1 VAL 52 -7.536 10.539 4.720 396 1HG2 VAL 52 1HG2 VAL 52 -4.735 10.813 4.980 397 2HG2 VAL 52 2HG2 VAL 52 -4.025 9.571 3.948 398 3HG2 VAL 52 3HG2 VAL 52 -4.087 9.336 5.694 399 H SER 53 H SER 53 -7.800 7.067 6.830 400 HA SER 53 HA SER 53 -9.909 6.217 6.694 401 1HB SER 53 2HB SER 53 -9.744 6.468 3.689 402 2HB SER 53 1HB SER 53 -11.189 6.460 4.700 403 HG SER 53 HG SER 53 -9.305 8.499 4.293 404 H GLY 54 H GLY 54 -10.600 4.160 6.821 405 1HA GLY 54 2HA GLY 54 -9.038 2.142 5.333 406 2HA GLY 54 1HA GLY 54 -9.716 1.886 6.933 407 H PHE 55 H PHE 55 -10.380 -0.071 5.474 408 HA PHE 55 HA PHE 55 -13.191 0.319 4.889 409 1HB PHE 55 2HB PHE 55 -12.862 -0.979 2.677 410 2HB PHE 55 1HB PHE 55 -12.489 0.742 2.698 411 HD1 PHE 55 1HD PHE 55 -10.483 1.449 1.823 412 HD2 PHE 55 2HD PHE 55 -10.836 -2.561 3.201 413 HE1 PHE 55 1HE PHE 55 -8.221 0.968 0.988 414 HE2 PHE 55 2HE PHE 55 -8.574 -3.051 2.368 415 HZ PHE 55 HZ PHE 55 -7.262 -1.284 1.260 416 H HIS 56 H HIS 56 -14.192 -1.870 4.234 417 HA HIS 56 HA HIS 56 -13.216 -3.835 6.147 418 1HB HIS 56 2HB HIS 56 -15.761 -2.986 5.386 419 2HB HIS 56 1HB HIS 56 -15.615 -4.597 4.692 420 HD1 HIS 56 1HD HIS 56 -15.077 -2.921 8.068 421 HD2 HIS 56 2HD HIS 56 -16.235 -6.564 6.439 422 HE1 HIS 56 1HE HIS 56 -15.727 -4.358 10.026 423 HE2 HIS 56 2HE HIS 56 -16.536 -6.514 9.007 424 HA PRO 57 HA PRO 57 -13.102 -6.494 2.213 425 1HB PRO 57 2HB PRO 57 -14.047 -5.616 -0.119 426 2HB PRO 57 1HB PRO 57 -15.144 -6.136 1.165 427 1HG PRO 57 2HG PRO 57 -14.400 -3.375 0.311 428 2HG PRO 57 1HG PRO 57 -15.973 -4.003 0.831 429 1HD PRO 57 2HD PRO 57 -14.176 -2.591 2.431 430 2HD PRO 57 1HD PRO 57 -15.520 -3.587 3.020 431 H SER 58 H SER 58 -12.246 -6.281 -0.333 432 HA SER 58 HA SER 58 -10.576 -5.621 -1.744 433 1HB SER 58 2HB SER 58 -9.653 -3.417 0.051 434 2HB SER 58 1HB SER 58 -9.740 -3.471 -1.710 435 HG SER 58 HG SER 58 -11.648 -2.726 0.134 436 H ASP 59 H ASP 59 -8.362 -6.013 -1.957 437 HA ASP 59 HA ASP 59 -7.022 -6.937 0.499 438 1HB ASP 59 2HB ASP 59 -7.003 -8.191 -2.252 439 2HB ASP 59 1HB ASP 59 -5.910 -8.663 -0.955 440 H ILE 60 H ILE 60 -5.221 -5.857 0.931 441 HA ILE 60 HA ILE 60 -3.670 -4.754 -1.315 442 HB ILE 60 HB ILE 60 -2.996 -2.908 0.319 443 1HG1 ILE 60 2HG1 ILE 60 -4.077 -4.105 2.286 444 2HG1 ILE 60 1HG1 ILE 60 -4.429 -2.389 2.137 445 1HG2 ILE 60 1HG2 ILE 60 -4.188 -1.921 -1.290 446 2HG2 ILE 60 2HG2 ILE 60 -5.497 -1.905 -0.110 447 3HG2 ILE 60 3HG2 ILE 60 -5.405 -3.198 -1.306 448 1HD1 ILE 60 1HD1 ILE 60 -6.226 -4.593 2.258 449 2HD1 ILE 60 2HD1 ILE 60 -6.441 -3.757 0.721 450 3HD1 ILE 60 3HD1 ILE 60 -6.582 -2.867 2.237 451 H GLU 61 H GLU 61 -1.845 -5.863 -1.422 452 HA GLU 61 HA GLU 61 -0.540 -6.702 1.075 453 1HB GLU 61 2HB GLU 61 -1.087 -8.510 -0.505 454 2HB GLU 61 1HB GLU 61 -0.124 -7.715 -1.743 455 1HG GLU 61 2HG GLU 61 1.887 -8.060 -0.478 456 2HG GLU 61 1HG GLU 61 0.967 -8.709 0.879 457 H VAL 62 H VAL 62 0.568 -4.843 1.593 458 HA VAL 62 HA VAL 62 2.319 -3.618 -0.383 459 HB VAL 62 HB VAL 62 1.924 -2.880 2.520 460 1HG1 VAL 62 1HG1 VAL 62 3.755 -1.654 2.131 461 2HG1 VAL 62 2HG1 VAL 62 2.690 -0.622 1.178 462 3HG1 VAL 62 3HG1 VAL 62 3.648 -1.873 0.385 463 1HG2 VAL 62 1HG2 VAL 62 0.770 -1.285 0.291 464 2HG2 VAL 62 2HG2 VAL 62 0.211 -1.476 1.952 465 3HG2 VAL 62 3HG2 VAL 62 -0.057 -2.765 0.778 466 H ASP 63 H ASP 63 4.379 -4.179 -0.621 467 HA ASP 63 HA ASP 63 5.814 -5.310 1.678 468 1HB ASP 63 2HB ASP 63 5.629 -6.455 -1.103 469 2HB ASP 63 1HB ASP 63 6.956 -6.857 -0.015 470 H LEU 64 H LEU 64 7.642 -4.273 2.069 471 HA LEU 64 HA LEU 64 9.119 -3.077 -0.163 472 1HB LEU 64 2HB LEU 64 9.549 -1.294 1.906 473 2HB LEU 64 1HB LEU 64 8.550 -1.025 0.493 474 HG LEU 64 HG LEU 64 7.485 -2.180 3.066 475 1HD1 LEU 64 1HD1 LEU 64 7.774 -0.145 3.931 476 2HD1 LEU 64 2HD1 LEU 64 6.479 0.362 2.847 477 3HD1 LEU 64 3HD1 LEU 64 8.164 0.565 2.365 478 1HD2 LEU 64 1HD2 LEU 64 5.699 -2.585 1.801 479 2HD2 LEU 64 2HD2 LEU 64 6.400 -1.732 0.426 480 3HD2 LEU 64 3HD2 LEU 64 5.497 -0.840 1.649 481 H LEU 65 H LEU 65 11.119 -3.812 -0.166 482 HA LEU 65 HA LEU 65 12.213 -5.439 1.796 483 1HB LEU 65 2HB LEU 65 14.073 -5.593 0.475 484 2HB LEU 65 1HB LEU 65 12.892 -5.035 -0.688 485 HG LEU 65 HG LEU 65 14.824 -3.801 -1.154 486 1HD1 LEU 65 1HD1 LEU 65 13.824 -1.654 0.528 487 2HD1 LEU 65 2HD1 LEU 65 12.547 -2.498 -0.344 488 3HD1 LEU 65 3HD1 LEU 65 13.893 -1.785 -1.228 489 1HD2 LEU 65 1HD2 LEU 65 16.425 -3.198 0.306 490 2HD2 LEU 65 2HD2 LEU 65 15.638 -4.382 1.349 491 3HD2 LEU 65 3HD2 LEU 65 15.266 -2.667 1.524 492 H LYS 66 H LYS 66 12.025 -2.008 1.720 493 HA LYS 66 HA LYS 66 14.044 -1.799 3.845 494 1HB LYS 66 2HB LYS 66 14.119 0.572 3.390 495 2HB LYS 66 1HB LYS 66 14.327 -0.311 1.884 496 1HG LYS 66 2HG LYS 66 11.584 0.118 2.086 497 2HG LYS 66 1HG LYS 66 12.324 1.625 2.624 498 1HD LYS 66 2HD LYS 66 13.195 2.084 0.579 499 2HD LYS 66 1HD LYS 66 13.463 0.383 0.194 500 1HE LYS 66 2HE LYS 66 10.709 1.570 0.328 501 2HE LYS 66 1HE LYS 66 11.679 1.635 -1.143 502 1HZ LYS 66 1HZ LYS 66 10.029 -0.348 -0.611 503 2HZ LYS 66 2HZ LYS 66 11.408 -0.964 0.149 504 3HZ LYS 66 3HZ LYS 66 11.452 -0.573 -1.497 505 1H SER 67 1HT SER 67 11.868 8.415 12.209 506 2H SER 67 2HT SER 67 12.086 10.029 12.748 507 3H SER 67 3HT SER 67 13.431 9.116 12.196 508 HA SER 67 HA SER 67 11.213 10.265 10.671 509 1HB SER 67 2HB SER 67 13.701 11.186 11.281 510 2HB SER 67 1HB SER 67 14.028 10.338 9.769 511 HG SER 67 HG SER 67 12.915 12.721 10.103 512 H ASN 68 H ASN 68 13.648 7.720 10.734 513 HA ASN 68 HA ASN 68 13.417 6.879 8.064 514 1HB ASN 68 2HB ASN 68 14.047 5.100 10.424 515 2HB ASN 68 1HB ASN 68 14.543 4.874 8.750 516 1HD2 ASN 68 1HD2 ASN 68 15.310 7.507 8.182 517 2HD2 ASN 68 2HD2 ASN 68 16.737 7.863 9.087 518 H PHE 69 H PHE 69 11.769 5.753 11.005 519 HA PHE 69 HA PHE 69 10.012 4.062 9.407 520 1HB PHE 69 2HB PHE 69 10.850 3.061 11.435 521 2HB PHE 69 1HB PHE 69 10.309 4.434 12.393 522 HD1 PHE 69 1HD PHE 69 8.749 2.123 9.904 523 HD2 PHE 69 2HD PHE 69 8.516 3.970 13.730 524 HE1 PHE 69 1HE PHE 69 6.604 0.988 10.317 525 HE2 PHE 69 2HE PHE 69 6.373 2.839 14.150 526 HZ PHE 69 HZ PHE 69 5.414 1.345 12.442 527 H LEU 70 H LEU 70 8.365 5.078 8.452 528 HA LEU 70 HA LEU 70 6.753 6.917 10.090 529 1HB LEU 70 2HB LEU 70 8.036 7.385 7.486 530 2HB LEU 70 1HB LEU 70 6.346 7.847 7.553 531 HG LEU 70 HG LEU 70 6.760 9.387 9.348 532 1HD1 LEU 70 1HD1 LEU 70 9.399 8.008 9.467 533 2HD1 LEU 70 2HD1 LEU 70 8.312 8.481 10.773 534 3HD1 LEU 70 3HD1 LEU 70 9.288 9.700 9.954 535 1HD2 LEU 70 1HD2 LEU 70 8.767 9.586 7.113 536 2HD2 LEU 70 2HD2 LEU 70 8.455 10.886 8.263 537 3HD2 LEU 70 3HD2 LEU 70 7.167 10.321 7.199 538 H ASN 71 H ASN 71 5.469 4.985 10.477 539 HA ASN 71 HA ASN 71 3.984 3.947 8.190 540 1HB ASN 71 2HB ASN 71 3.117 2.274 9.727 541 2HB ASN 71 1HB ASN 71 4.868 2.371 9.892 542 1HD2 ASN 71 1HD2 ASN 71 2.360 1.762 11.656 543 2HD2 ASN 71 2HD2 ASN 71 2.754 2.557 13.139 544 H CYS 72 H CYS 72 3.408 6.572 8.548 545 HA CYS 72 HA CYS 72 1.445 7.394 10.261 546 1HB CYS 72 2HB CYS 72 2.502 8.863 8.604 547 2HB CYS 72 1HB CYS 72 1.634 8.041 7.311 548 HG CYS 72 HG CYS 72 -0.154 9.390 9.404 549 H TYR 73 H TYR 73 -0.111 5.942 10.832 550 HA TYR 73 HA TYR 73 -1.947 5.094 8.690 551 1HB TYR 73 2HB TYR 73 -0.690 3.585 10.881 552 2HB TYR 73 1HB TYR 73 -2.416 3.295 10.685 553 HD1 TYR 73 1HD TYR 73 0.719 2.165 9.738 554 HD2 TYR 73 2HD TYR 73 -3.113 3.012 8.096 555 HE1 TYR 73 1HE TYR 73 1.187 0.634 7.872 556 HE2 TYR 73 2HE TYR 73 -2.656 1.482 6.225 557 HH TYR 73 HH TYR 73 -0.727 0.517 5.065 558 H VAL 74 H VAL 74 -4.019 5.624 8.879 559 HA VAL 74 HA VAL 74 -5.128 6.292 11.491 560 HB VAL 74 HB VAL 74 -6.192 8.366 10.513 561 1HG1 VAL 74 1HG1 VAL 74 -4.188 9.763 10.896 562 2HG1 VAL 74 2HG1 VAL 74 -3.199 8.303 10.875 563 3HG1 VAL 74 3HG1 VAL 74 -4.413 8.528 12.135 564 1HG2 VAL 74 1HG2 VAL 74 -5.673 9.154 8.472 565 2HG2 VAL 74 2HG2 VAL 74 -5.198 7.487 8.149 566 3HG2 VAL 74 3HG2 VAL 74 -3.980 8.676 8.605 567 H SER 75 H SER 75 -6.401 4.446 11.269 568 HA SER 75 HA SER 75 -8.908 4.808 10.043 569 1HB SER 75 2HB SER 75 -8.458 2.605 8.553 570 2HB SER 75 1HB SER 75 -8.278 4.243 7.924 571 HG SER 75 HG SER 75 -6.193 3.962 7.805 572 H GLY 76 H GLY 76 -6.615 2.194 10.843 573 1HA GLY 76 2HA GLY 76 -6.769 0.680 12.609 574 2HA GLY 76 1HA GLY 76 -8.367 1.307 12.978 575 H PHE 77 H PHE 77 -8.575 0.795 9.794 576 HA PHE 77 HA PHE 77 -10.313 -1.326 9.900 577 1HB PHE 77 2HB PHE 77 -10.180 -1.450 7.529 578 2HB PHE 77 1HB PHE 77 -9.927 0.235 7.957 579 HD1 PHE 77 1HD PHE 77 -9.099 -1.696 5.505 580 HD2 PHE 77 2HD PHE 77 -7.063 0.199 8.727 581 HE1 PHE 77 1HE PHE 77 -7.021 -1.693 4.188 582 HE2 PHE 77 2HE PHE 77 -4.984 0.206 7.415 583 HZ PHE 77 HZ PHE 77 -4.961 -0.740 5.142 584 H HIS 78 H HIS 78 -9.793 -3.129 10.986 585 HA HIS 78 HA HIS 78 -7.253 -4.443 10.588 586 1HB HIS 78 2HB HIS 78 -8.516 -4.268 12.802 587 2HB HIS 78 1HB HIS 78 -9.570 -5.530 12.171 588 HD1 HIS 78 1HD HIS 78 -8.917 -7.617 13.328 589 HD2 HIS 78 2HD HIS 78 -5.607 -5.397 12.155 590 HE1 HIS 78 1HE HIS 78 -6.919 -9.025 13.920 591 HE2 HIS 78 2HE HIS 78 -4.933 -7.706 13.105 592 HA PRO 79 HA PRO 79 -10.315 -7.691 8.641 593 1HB PRO 79 2HB PRO 79 -12.289 -6.583 7.116 594 2HB PRO 79 1HB PRO 79 -12.513 -7.087 8.794 595 1HG PRO 79 2HG PRO 79 -12.035 -4.359 7.680 596 2HG PRO 79 1HG PRO 79 -13.119 -4.864 8.989 597 1HD PRO 79 2HD PRO 79 -10.717 -3.699 9.427 598 2HD PRO 79 1HD PRO 79 -11.430 -4.872 10.551 599 H SER 80 H SER 80 -11.047 -7.920 6.116 600 HA SER 80 HA SER 80 -10.347 -7.938 3.952 601 1HB SER 80 2HB SER 80 -10.224 -5.878 3.068 602 2HB SER 80 1HB SER 80 -10.206 -5.232 4.708 603 HG SER 80 HG SER 80 -8.157 -5.489 2.883 604 H ASP 81 H ASP 81 -8.088 -7.517 2.638 605 HA ASP 81 HA ASP 81 -6.129 -9.066 4.180 606 1HB ASP 81 2HB ASP 81 -6.316 -8.621 1.193 607 2HB ASP 81 1HB ASP 81 -5.151 -9.660 2.005 608 H ILE 82 H ILE 82 -5.413 -7.165 5.333 609 HA ILE 82 HA ILE 82 -3.758 -5.351 3.710 610 HB ILE 82 HB ILE 82 -3.858 -3.763 5.552 611 1HG1 ILE 82 2HG1 ILE 82 -5.848 -4.553 7.249 612 2HG1 ILE 82 1HG1 ILE 82 -5.024 -6.080 6.951 613 1HG2 ILE 82 1HG2 ILE 82 -5.569 -3.149 4.224 614 2HG2 ILE 82 2HG2 ILE 82 -6.553 -3.698 5.580 615 3HG2 ILE 82 3HG2 ILE 82 -6.273 -4.765 4.205 616 1HD1 ILE 82 1HD1 ILE 82 -3.736 -5.431 8.660 617 2HD1 ILE 82 2HD1 ILE 82 -4.158 -3.729 8.467 618 3HD1 ILE 82 3HD1 ILE 82 -2.923 -4.452 7.439 619 H GLU 83 H GLU 83 -1.642 -5.672 3.779 620 HA GLU 83 HA GLU 83 -0.379 -6.443 6.291 621 1HB GLU 83 2HB GLU 83 -0.918 -8.536 4.953 622 2HB GLU 83 1HB GLU 83 0.244 -7.964 3.763 623 1HG GLU 83 2HG GLU 83 1.997 -8.583 4.997 624 2HG GLU 83 1HG GLU 83 1.276 -7.992 6.493 625 H VAL 84 H VAL 84 1.491 -5.415 6.609 626 HA VAL 84 HA VAL 84 2.732 -4.063 4.300 627 HB VAL 84 HB VAL 84 2.680 -3.126 7.174 628 1HG1 VAL 84 1HG1 VAL 84 3.501 -0.992 5.742 629 2HG1 VAL 84 2HG1 VAL 84 4.232 -2.299 4.810 630 3HG1 VAL 84 3HG1 VAL 84 4.597 -2.129 6.527 631 1HG2 VAL 84 1HG2 VAL 84 0.959 -1.747 6.681 632 2HG2 VAL 84 2HG2 VAL 84 0.618 -2.967 5.454 633 3HG2 VAL 84 3HG2 VAL 84 1.493 -1.499 5.018 634 H ASP 85 H ASP 85 4.658 -4.855 3.794 635 HA ASP 85 HA ASP 85 6.137 -6.433 5.736 636 1HB ASP 85 2HB ASP 85 5.747 -6.768 3.068 637 2HB ASP 85 1HB ASP 85 7.314 -5.967 3.066 638 H LEU 86 H LEU 86 6.829 -4.804 7.161 639 HA LEU 86 HA LEU 86 8.360 -2.563 6.239 640 1HB LEU 86 2HB LEU 86 7.079 -3.316 8.621 641 2HB LEU 86 1HB LEU 86 8.781 -3.193 9.026 642 HG LEU 86 HG LEU 86 8.550 -0.881 7.736 643 1HD1 LEU 86 1HD1 LEU 86 5.769 -1.668 8.454 644 2HD1 LEU 86 2HD1 LEU 86 6.366 -0.787 7.047 645 3HD1 LEU 86 3HD1 LEU 86 6.250 0.021 8.611 646 1HD2 LEU 86 1HD2 LEU 86 7.395 -0.831 10.462 647 2HD2 LEU 86 2HD2 LEU 86 8.736 0.089 9.778 648 3HD2 LEU 86 3HD2 LEU 86 8.976 -1.588 10.269 649 H LEU 87 H LEU 87 10.117 -3.326 5.083 650 HA LEU 87 HA LEU 87 12.300 -3.924 4.815 651 1HB LEU 87 2HB LEU 87 12.107 -3.259 7.554 652 2HB LEU 87 1HB LEU 87 13.025 -4.750 7.470 653 HG LEU 87 HG LEU 87 13.763 -2.444 5.708 654 1HD1 LEU 87 1HD1 LEU 87 13.644 -1.459 7.902 655 2HD1 LEU 87 2HD1 LEU 87 15.334 -1.703 7.465 656 3HD1 LEU 87 3HD1 LEU 87 14.548 -2.806 8.595 657 1HD2 LEU 87 1HD2 LEU 87 15.218 -4.790 6.908 658 2HD2 LEU 87 2HD2 LEU 87 16.027 -3.469 6.065 659 3HD2 LEU 87 3HD2 LEU 87 14.871 -4.487 5.206 660 H LYS 88 H LYS 88 10.136 -5.817 4.636 661 HA LYS 88 HA LYS 88 9.816 -8.040 4.280 662 1HB LYS 88 2HB LYS 88 12.508 -7.565 3.706 663 2HB LYS 88 1HB LYS 88 12.520 -8.991 4.734 664 1HG LYS 88 2HG LYS 88 10.823 -8.712 2.266 665 2HG LYS 88 1HG LYS 88 12.414 -9.473 2.298 666 1HD LYS 88 2HD LYS 88 10.710 -10.527 4.380 667 2HD LYS 88 1HD LYS 88 9.952 -10.689 2.796 668 1HE LYS 88 2HE LYS 88 11.188 -12.654 3.033 669 2HE LYS 88 1HE LYS 88 12.209 -11.628 2.026 670 1HZ LYS 88 1HZ LYS 88 12.611 -11.461 4.907 671 2HZ LYS 88 2HZ LYS 88 13.742 -11.402 3.652 672 3HZ LYS 88 3HZ LYS 88 13.116 -12.891 4.154 Start of MODEL 2 1 1H SER 1 1HT SER 1 17.096 6.815 -6.589 2 2H SER 1 2HT SER 1 16.044 6.843 -5.234 3 3H SER 1 3HT SER 1 16.225 8.242 -6.211 4 HA SER 1 HA SER 1 15.272 7.090 -8.063 5 1HB SER 1 2HB SER 1 16.067 4.836 -7.138 6 2HB SER 1 1HB SER 1 14.636 4.876 -6.111 7 HG SER 1 HG SER 1 14.836 4.193 -8.699 8 H ASN 2 H ASN 2 13.880 8.808 -7.878 9 HA ASN 2 HA ASN 2 12.119 9.270 -5.738 10 1HB ASN 2 2HB ASN 2 12.294 10.226 -8.566 11 2HB ASN 2 1HB ASN 2 10.833 10.567 -7.644 12 1HD2 ASN 2 1HD2 ASN 2 10.894 12.032 -5.991 13 2HD2 ASN 2 2HD2 ASN 2 12.258 13.039 -5.669 14 H PHE 3 H PHE 3 10.858 7.581 -5.120 15 HA PHE 3 HA PHE 3 9.180 6.288 -7.152 16 1HB PHE 3 2HB PHE 3 10.485 4.764 -5.760 17 2HB PHE 3 1HB PHE 3 9.791 5.471 -4.304 18 HD1 PHE 3 1HD PHE 3 7.490 5.012 -3.672 19 HD2 PHE 3 2HD PHE 3 9.228 3.236 -7.127 20 HE1 PHE 3 1HE PHE 3 5.649 3.382 -3.754 21 HE2 PHE 3 2HE PHE 3 7.389 1.603 -7.216 22 HZ PHE 3 HZ PHE 3 5.597 1.675 -5.528 23 H LEU 4 H LEU 4 7.230 7.135 -7.411 24 HA LEU 4 HA LEU 4 5.826 8.175 -5.037 25 1HB LEU 4 2HB LEU 4 5.107 9.091 -7.784 26 2HB LEU 4 1HB LEU 4 4.925 9.920 -6.251 27 HG LEU 4 HG LEU 4 6.582 11.119 -7.405 28 1HD1 LEU 4 1HD1 LEU 4 7.165 9.893 -5.017 29 2HD1 LEU 4 2HD1 LEU 4 8.071 11.219 -5.749 30 3HD1 LEU 4 3HD1 LEU 4 8.592 9.552 -5.997 31 1HD2 LEU 4 1HD2 LEU 4 6.947 8.984 -8.939 32 2HD2 LEU 4 2HD2 LEU 4 8.358 8.796 -7.899 33 3HD2 LEU 4 3HD2 LEU 4 8.141 10.278 -8.830 34 H ASN 5 H ASN 5 4.541 6.502 -4.471 35 HA ASN 5 HA ASN 5 2.748 5.426 -6.549 36 1HB ASN 5 2HB ASN 5 4.334 3.726 -5.748 37 2HB ASN 5 1HB ASN 5 3.795 3.999 -4.094 38 1HD2 ASN 5 1HD2 ASN 5 3.047 1.956 -3.747 39 2HD2 ASN 5 2HD2 ASN 5 1.667 1.298 -4.551 40 H CYS 6 H CYS 6 1.235 7.096 -6.080 41 HA CYS 6 HA CYS 6 0.076 7.163 -3.411 42 1HB CYS 6 2HB CYS 6 -1.250 9.043 -4.251 43 2HB CYS 6 1HB CYS 6 0.462 9.286 -4.583 44 HG CYS 6 HG CYS 6 -0.051 9.441 -6.966 45 H TYR 7 H TYR 7 -2.494 7.515 -3.604 46 HA TYR 7 HA TYR 7 -3.884 5.925 -5.487 47 1HB TYR 7 2HB TYR 7 -2.622 4.224 -3.978 48 2HB TYR 7 1HB TYR 7 -3.831 4.641 -2.770 49 HD1 TYR 7 1HD TYR 7 -3.561 1.887 -3.658 50 HD2 TYR 7 2HD TYR 7 -5.826 5.056 -5.374 51 HE1 TYR 7 1HE TYR 7 -5.105 0.247 -4.643 52 HE2 TYR 7 2HE TYR 7 -7.374 3.424 -6.360 53 HH TYR 7 HH TYR 7 -6.704 0.193 -6.643 54 H VAL 8 H VAL 8 -5.627 7.172 -5.620 55 HA VAL 8 HA VAL 8 -6.815 8.246 -3.159 56 HB VAL 8 HB VAL 8 -6.261 9.900 -4.888 57 1HG1 VAL 8 1HG1 VAL 8 -6.490 8.519 -6.864 58 2HG1 VAL 8 2HG1 VAL 8 -7.526 9.940 -6.999 59 3HG1 VAL 8 3HG1 VAL 8 -8.227 8.374 -6.591 60 1HG2 VAL 8 1HG2 VAL 8 -9.245 9.757 -4.873 61 2HG2 VAL 8 2HG2 VAL 8 -8.186 11.150 -4.650 62 3HG2 VAL 8 3HG2 VAL 8 -8.371 9.965 -3.356 63 H SER 9 H SER 9 -8.831 7.698 -2.510 64 HA SER 9 HA SER 9 -10.033 5.343 -3.115 65 1HB SER 9 2HB SER 9 -12.016 6.145 -2.031 66 2HB SER 9 1HB SER 9 -10.641 6.917 -1.241 67 HG SER 9 HG SER 9 -12.714 8.059 -2.488 68 H GLY 10 H GLY 10 -10.196 4.765 -5.235 69 1HA GLY 10 2HA GLY 10 -12.500 5.326 -6.662 70 2HA GLY 10 1HA GLY 10 -11.277 6.433 -7.270 71 H PHE 11 H PHE 11 -12.441 3.199 -7.248 72 HA PHE 11 HA PHE 11 -10.176 2.347 -8.925 73 1HB PHE 11 2HB PHE 11 -10.933 1.132 -6.694 74 2HB PHE 11 1HB PHE 11 -12.098 0.375 -7.774 75 HD1 PHE 11 1HD PHE 11 -11.458 -1.750 -8.325 76 HD2 PHE 11 2HD PHE 11 -8.491 1.291 -8.084 77 HE1 PHE 11 1HE PHE 11 -9.749 -3.366 -9.046 78 HE2 PHE 11 2HE PHE 11 -6.776 -0.320 -8.804 79 HZ PHE 11 HZ PHE 11 -7.405 -2.652 -9.287 80 H HIS 12 H HIS 12 -11.052 0.315 -10.305 81 HA HIS 12 HA HIS 12 -13.632 0.515 -11.433 82 1HB HIS 12 2HB HIS 12 -11.977 2.507 -12.364 83 2HB HIS 12 1HB HIS 12 -11.773 1.253 -13.581 84 HD1 HIS 12 1HD HIS 12 -14.949 0.414 -12.930 85 HD2 HIS 12 2HD HIS 12 -13.372 3.961 -14.415 86 HE1 HIS 12 1HE HIS 12 -16.837 1.524 -14.164 87 HE2 HIS 12 2HE HIS 12 -15.831 3.616 -15.142 88 HA PRO 13 HA PRO 13 -10.883 -2.509 -14.127 89 1HB PRO 13 2HB PRO 13 -8.329 -2.821 -13.101 90 2HB PRO 13 1HB PRO 13 -8.741 -1.826 -14.500 91 1HG PRO 13 2HG PRO 13 -8.310 -1.017 -11.655 92 2HG PRO 13 1HG PRO 13 -7.802 -0.199 -13.144 93 1HD PRO 13 2HD PRO 13 -9.913 0.655 -11.750 94 2HD PRO 13 1HD PRO 13 -9.912 0.688 -13.524 95 H SER 14 H SER 14 -9.240 -4.513 -13.167 96 HA SER 14 HA SER 14 -10.603 -5.369 -10.698 97 1HB SER 14 2HB SER 14 -10.039 -7.733 -11.952 98 2HB SER 14 1HB SER 14 -11.594 -6.905 -12.030 99 HG SER 14 HG SER 14 -9.487 -6.885 -13.910 100 H ASP 15 H ASP 15 -7.908 -6.492 -12.758 101 HA ASP 15 HA ASP 15 -6.386 -7.100 -10.338 102 1HB ASP 15 2HB ASP 15 -4.871 -8.325 -11.877 103 2HB ASP 15 1HB ASP 15 -6.536 -8.895 -11.956 104 H ILE 16 H ILE 16 -5.211 -5.472 -9.576 105 HA ILE 16 HA ILE 16 -3.565 -3.941 -11.476 106 HB ILE 16 HB ILE 16 -5.436 -2.952 -9.434 107 1HG1 ILE 16 2HG1 ILE 16 -5.177 -0.881 -10.900 108 2HG1 ILE 16 1HG1 ILE 16 -4.116 -1.854 -11.914 109 1HG2 ILE 16 1HG2 ILE 16 -3.523 -2.418 -8.146 110 2HG2 ILE 16 2HG2 ILE 16 -4.000 -0.930 -8.963 111 3HG2 ILE 16 3HG2 ILE 16 -2.633 -1.866 -9.565 112 1HD1 ILE 16 1HD1 ILE 16 -5.939 -3.423 -12.311 113 2HD1 ILE 16 2HD1 ILE 16 -6.366 -1.787 -12.805 114 3HD1 ILE 16 3HD1 ILE 16 -6.999 -2.447 -11.298 115 H GLU 17 H GLU 17 -1.468 -3.493 -10.856 116 HA GLU 17 HA GLU 17 -0.396 -3.786 -8.288 117 1HB GLU 17 2HB GLU 17 0.877 -5.922 -8.643 118 2HB GLU 17 1HB GLU 17 -0.854 -6.129 -8.420 119 1HG GLU 17 2HG GLU 17 -0.707 -7.450 -10.210 120 2HG GLU 17 1HG GLU 17 -0.697 -5.939 -11.119 121 H VAL 18 H VAL 18 1.943 -3.577 -8.257 122 HA VAL 18 HA VAL 18 3.533 -3.466 -10.554 123 HB VAL 18 HB VAL 18 1.801 -1.434 -10.726 124 1HG1 VAL 18 1HG1 VAL 18 2.455 0.565 -9.803 125 2HG1 VAL 18 2HG1 VAL 18 4.128 0.047 -9.594 126 3HG1 VAL 18 3HG1 VAL 18 2.875 -0.561 -8.511 127 1HG2 VAL 18 1HG2 VAL 18 2.995 -1.429 -12.601 128 2HG2 VAL 18 2HG2 VAL 18 4.442 -2.006 -11.775 129 3HG2 VAL 18 3HG2 VAL 18 4.067 -0.283 -11.798 130 H ASP 19 H ASP 19 5.348 -1.565 -10.061 131 HA ASP 19 HA ASP 19 6.544 -0.539 -8.173 132 1HB ASP 19 2HB ASP 19 6.096 -3.285 -7.014 133 2HB ASP 19 1HB ASP 19 7.376 -2.229 -6.436 134 H LEU 20 H LEU 20 8.470 -3.055 -7.403 135 HA LEU 20 HA LEU 20 9.763 -3.354 -9.981 136 1HB LEU 20 2HB LEU 20 11.144 -2.042 -7.639 137 2HB LEU 20 1HB LEU 20 11.941 -2.562 -9.111 138 HG LEU 20 HG LEU 20 10.090 -0.944 -10.188 139 1HD1 LEU 20 1HD1 LEU 20 10.218 -0.251 -7.340 140 2HD1 LEU 20 2HD1 LEU 20 8.982 0.110 -8.546 141 3HD1 LEU 20 3HD1 LEU 20 10.433 1.106 -8.446 142 1HD2 LEU 20 1HD2 LEU 20 12.405 -0.739 -10.679 143 2HD2 LEU 20 2HD2 LEU 20 12.773 -0.214 -9.037 144 3HD2 LEU 20 3HD2 LEU 20 11.855 0.838 -10.114 145 H LEU 21 H LEU 21 11.489 -4.922 -9.963 146 HA LEU 21 HA LEU 21 11.104 -6.931 -7.859 147 1HB LEU 21 2HB LEU 21 10.982 -7.194 -10.565 148 2HB LEU 21 1HB LEU 21 12.653 -7.634 -10.269 149 HG LEU 21 HG LEU 21 11.049 -9.556 -10.353 150 1HD1 LEU 21 1HD1 LEU 21 13.141 -9.951 -9.340 151 2HD1 LEU 21 2HD1 LEU 21 11.933 -10.610 -8.237 152 3HD1 LEU 21 3HD1 LEU 21 12.691 -9.059 -7.888 153 1HD2 LEU 21 1HD2 LEU 21 10.155 -8.659 -7.631 154 2HD2 LEU 21 2HD2 LEU 21 9.494 -9.944 -8.641 155 3HD2 LEU 21 3HD2 LEU 21 9.255 -8.256 -9.094 156 H LYS 22 H LYS 22 12.735 -7.556 -6.557 157 HA LYS 22 HA LYS 22 15.490 -6.960 -7.231 158 1HB LYS 22 2HB LYS 22 14.232 -5.817 -4.730 159 2HB LYS 22 1HB LYS 22 15.929 -5.708 -5.177 160 1HG LYS 22 2HG LYS 22 15.156 -4.480 -7.255 161 2HG LYS 22 1HG LYS 22 13.575 -4.373 -6.476 162 1HD LYS 22 2HD LYS 22 14.262 -2.789 -5.034 163 2HD LYS 22 1HD LYS 22 15.824 -3.566 -4.775 164 1HE LYS 22 2HE LYS 22 15.020 -1.792 -7.074 165 2HE LYS 22 1HE LYS 22 16.195 -1.434 -5.809 166 1HZ LYS 22 1HZ LYS 22 16.475 -3.078 -8.190 167 2HZ LYS 22 2HZ LYS 22 17.222 -3.671 -6.793 168 3HZ LYS 22 3HZ LYS 22 17.625 -2.137 -7.381 169 1H SER 23 1HT SER 23 12.585 11.748 -3.463 170 2H SER 23 2HT SER 23 12.109 12.585 -2.041 171 3H SER 23 3HT SER 23 11.699 10.930 -2.244 172 HA SER 23 HA SER 23 14.467 11.903 -2.161 173 1HB SER 23 2HB SER 23 12.788 10.822 0.118 174 2HB SER 23 1HB SER 23 14.479 11.314 0.206 175 HG SER 23 HG SER 23 13.640 13.439 -0.529 176 H ASN 24 H ASN 24 12.290 9.225 -1.242 177 HA ASN 24 HA ASN 24 13.964 7.373 -2.748 178 1HB ASN 24 2HB ASN 24 13.405 7.101 0.211 179 2HB ASN 24 1HB ASN 24 14.006 5.786 -0.795 180 1HD2 ASN 24 1HD2 ASN 24 14.729 8.937 0.531 181 2HD2 ASN 24 2HD2 ASN 24 16.444 8.831 0.354 182 H PHE 25 H PHE 25 11.488 6.866 -0.252 183 HA PHE 25 HA PHE 25 9.692 5.831 -2.341 184 1HB PHE 25 2HB PHE 25 10.537 3.872 -1.302 185 2HB PHE 25 1HB PHE 25 10.409 4.575 0.306 186 HD1 PHE 25 1HD PHE 25 8.511 3.127 -2.495 187 HD2 PHE 25 2HD PHE 25 8.377 4.491 1.532 188 HE1 PHE 25 1HE PHE 25 6.296 2.090 -2.220 189 HE2 PHE 25 2HE PHE 25 6.165 3.456 1.814 190 HZ PHE 25 HZ PHE 25 5.121 2.255 -0.063 191 H LEU 26 H LEU 26 7.708 6.652 -2.305 192 HA LEU 26 HA LEU 26 6.617 7.724 0.187 193 1HB LEU 26 2HB LEU 26 7.672 9.354 -1.856 194 2HB LEU 26 1HB LEU 26 5.929 9.479 -1.987 195 HG LEU 26 HG LEU 26 7.200 9.813 0.694 196 1HD1 LEU 26 1HD1 LEU 26 6.824 12.259 -0.908 197 2HD1 LEU 26 2HD1 LEU 26 8.218 11.261 -1.325 198 3HD1 LEU 26 3HD1 LEU 26 8.033 11.875 0.318 199 1HD2 LEU 26 1HD2 LEU 26 4.862 11.222 -0.573 200 2HD2 LEU 26 2HD2 LEU 26 5.293 11.156 1.136 201 3HD2 LEU 26 3HD2 LEU 26 4.716 9.705 0.315 202 H ASN 27 H ASN 27 5.131 6.045 0.222 203 HA ASN 27 HA ASN 27 3.268 5.891 -2.046 204 1HB ASN 27 2HB ASN 27 4.301 3.766 -1.483 205 2HB ASN 27 1HB ASN 27 3.796 3.929 0.196 206 1HD2 ASN 27 1HD2 ASN 27 3.083 1.676 -0.836 207 2HD2 ASN 27 2HD2 ASN 27 1.418 1.635 -1.295 208 H CYS 28 H CYS 28 1.399 6.894 -1.844 209 HA CYS 28 HA CYS 28 0.298 7.312 0.858 210 1HB CYS 28 2HB CYS 28 -0.306 8.975 -1.591 211 2HB CYS 28 1HB CYS 28 -0.729 9.335 0.079 212 HG CYS 28 HG CYS 28 2.079 9.689 -1.166 213 H TYR 29 H TYR 29 -1.247 5.853 1.218 214 HA TYR 29 HA TYR 29 -3.000 5.079 -1.008 215 1HB TYR 29 2HB TYR 29 -1.806 3.242 0.102 216 2HB TYR 29 1HB TYR 29 -2.527 3.700 1.641 217 HD1 TYR 29 1HD TYR 29 -4.613 2.843 2.279 218 HD2 TYR 29 2HD TYR 29 -3.372 2.512 -1.776 219 HE1 TYR 29 1HE TYR 29 -6.539 1.386 1.814 220 HE2 TYR 29 2HE TYR 29 -5.295 1.055 -2.251 221 HH TYR 29 HH TYR 29 -7.708 0.767 -1.114 222 H VAL 30 H VAL 30 -5.018 5.759 -1.066 223 HA VAL 30 HA VAL 30 -6.319 6.603 1.438 224 HB VAL 30 HB VAL 30 -6.784 7.925 -1.234 225 1HG1 VAL 30 1HG1 VAL 30 -8.635 8.516 -0.084 226 2HG1 VAL 30 2HG1 VAL 30 -7.547 9.709 0.626 227 3HG1 VAL 30 3HG1 VAL 30 -7.891 8.209 1.485 228 1HG2 VAL 30 1HG2 VAL 30 -4.733 8.433 0.834 229 2HG2 VAL 30 2HG2 VAL 30 -5.564 9.845 0.182 230 3HG2 VAL 30 3HG2 VAL 30 -4.700 8.753 -0.900 231 H SER 31 H SER 31 -7.090 4.369 1.372 232 HA SER 31 HA SER 31 -8.618 3.252 -0.658 233 1HB SER 31 2HB SER 31 -8.402 1.570 0.807 234 2HB SER 31 1HB SER 31 -8.055 2.687 2.125 235 HG SER 31 HG SER 31 -10.265 2.911 2.468 236 H GLY 32 H GLY 32 -11.017 2.630 -0.283 237 1HA GLY 32 2HA GLY 32 -13.025 3.790 0.906 238 2HA GLY 32 1HA GLY 32 -12.485 5.160 -0.054 239 H PHE 33 H PHE 33 -12.681 1.709 -0.884 240 HA PHE 33 HA PHE 33 -14.873 2.244 -2.720 241 1HB PHE 33 2HB PHE 33 -13.559 1.043 -4.566 242 2HB PHE 33 1HB PHE 33 -13.128 2.715 -4.224 243 HD1 PHE 33 1HD PHE 33 -10.889 3.157 -4.276 244 HD2 PHE 33 2HD PHE 33 -12.189 -0.661 -2.920 245 HE1 PHE 33 1HE PHE 33 -8.547 2.483 -3.939 246 HE2 PHE 33 2HE PHE 33 -9.851 -1.342 -2.581 247 HZ PHE 33 HZ PHE 33 -8.026 0.231 -3.089 248 H HIS 34 H HIS 34 -15.158 0.016 -4.068 249 HA HIS 34 HA HIS 34 -15.696 -1.962 -2.019 250 1HB HIS 34 2HB HIS 34 -16.847 -1.208 -4.534 251 2HB HIS 34 1HB HIS 34 -16.457 -2.922 -4.579 252 HD1 HIS 34 1HD HIS 34 -19.369 -2.213 -4.639 253 HD2 HIS 34 2HD HIS 34 -17.280 -2.758 -1.088 254 HE1 HIS 34 1HE HIS 34 -21.112 -2.755 -2.909 255 HE2 HIS 34 2HE HIS 34 -19.820 -3.136 -0.780 256 HA PRO 35 HA PRO 35 -12.881 -5.310 -2.732 257 1HB PRO 35 2HB PRO 35 -14.683 -6.422 -4.855 258 2HB PRO 35 1HB PRO 35 -13.817 -7.267 -3.566 259 1HG PRO 35 2HG PRO 35 -16.414 -6.713 -3.328 260 2HG PRO 35 1HG PRO 35 -15.323 -6.606 -1.938 261 1HD PRO 35 2HD PRO 35 -16.623 -4.451 -3.479 262 2HD PRO 35 1HD PRO 35 -16.032 -4.440 -1.808 263 H SER 36 H SER 36 -11.021 -5.262 -3.798 264 HA SER 36 HA SER 36 -10.881 -5.063 -6.665 265 1HB SER 36 2HB SER 36 -9.305 -3.014 -6.450 266 2HB SER 36 1HB SER 36 -11.045 -2.737 -6.397 267 HG SER 36 HG SER 36 -10.917 -2.584 -4.161 268 H ASP 37 H ASP 37 -8.783 -5.534 -7.483 269 HA ASP 37 HA ASP 37 -7.063 -6.838 -5.493 270 1HB ASP 37 2HB ASP 37 -8.082 -7.868 -7.782 271 2HB ASP 37 1HB ASP 37 -6.532 -7.274 -8.369 272 H ILE 38 H ILE 38 -5.518 -5.518 -4.786 273 HA ILE 38 HA ILE 38 -3.902 -4.084 -6.786 274 HB ILE 38 HB ILE 38 -4.518 -3.006 -4.039 275 1HG1 ILE 38 2HG1 ILE 38 -5.641 -1.362 -6.056 276 2HG1 ILE 38 1HG1 ILE 38 -6.162 -3.010 -6.392 277 1HG2 ILE 38 1HG2 ILE 38 -3.754 -0.904 -5.574 278 2HG2 ILE 38 2HG2 ILE 38 -2.775 -2.203 -6.256 279 3HG2 ILE 38 3HG2 ILE 38 -2.672 -1.831 -4.535 280 1HD1 ILE 38 1HD1 ILE 38 -6.977 -3.179 -4.067 281 2HD1 ILE 38 2HD1 ILE 38 -7.787 -1.925 -5.007 282 3HD1 ILE 38 3HD1 ILE 38 -6.549 -1.484 -3.831 283 H GLU 39 H GLU 39 -1.761 -4.439 -6.638 284 HA GLU 39 HA GLU 39 -0.707 -5.541 -4.124 285 1HB GLU 39 2HB GLU 39 -1.106 -7.232 -6.056 286 2HB GLU 39 1HB GLU 39 0.314 -6.492 -6.780 287 1HG GLU 39 2HG GLU 39 1.342 -8.159 -5.660 288 2HG GLU 39 1HG GLU 39 1.313 -6.961 -4.367 289 H VAL 40 H VAL 40 1.058 -4.588 -3.395 290 HA VAL 40 HA VAL 40 2.666 -2.941 -5.238 291 HB VAL 40 HB VAL 40 1.907 -2.283 -2.384 292 1HG1 VAL 40 1HG1 VAL 40 3.614 -0.674 -4.276 293 2HG1 VAL 40 2HG1 VAL 40 4.240 -1.658 -2.952 294 3HG1 VAL 40 3HG1 VAL 40 3.204 -0.273 -2.609 295 1HG2 VAL 40 1HG2 VAL 40 0.728 -0.395 -3.317 296 2HG2 VAL 40 2HG2 VAL 40 0.141 -1.881 -4.063 297 3HG2 VAL 40 3HG2 VAL 40 1.251 -0.831 -4.943 298 H ASP 41 H ASP 41 4.644 -3.832 -5.408 299 HA ASP 41 HA ASP 41 5.893 -4.815 -2.932 300 1HB ASP 41 2HB ASP 41 6.870 -6.715 -4.293 301 2HB ASP 41 1HB ASP 41 5.147 -6.824 -3.943 302 H LEU 42 H LEU 42 7.481 -3.377 -2.653 303 HA LEU 42 HA LEU 42 9.070 -2.460 -4.916 304 1HB LEU 42 2HB LEU 42 9.434 -1.793 -1.996 305 2HB LEU 42 1HB LEU 42 10.135 -0.953 -3.362 306 HG LEU 42 HG LEU 42 8.395 0.419 -2.525 307 1HD1 LEU 42 1HD1 LEU 42 6.627 0.154 -4.439 308 2HD1 LEU 42 2HD1 LEU 42 7.804 -0.993 -5.074 309 3HD1 LEU 42 3HD1 LEU 42 8.272 0.682 -4.790 310 1HD2 LEU 42 1HD2 LEU 42 6.239 -0.255 -1.954 311 2HD2 LEU 42 2HD2 LEU 42 7.267 -1.550 -1.339 312 3HD2 LEU 42 3HD2 LEU 42 6.374 -1.771 -2.841 313 H LEU 43 H LEU 43 9.504 -4.988 -4.951 314 HA LEU 43 HA LEU 43 12.201 -5.433 -4.631 315 1HB LEU 43 2HB LEU 43 12.387 -6.830 -2.661 316 2HB LEU 43 1HB LEU 43 11.795 -5.248 -2.207 317 HG LEU 43 HG LEU 43 9.727 -7.299 -2.723 318 1HD1 LEU 43 1HD1 LEU 43 10.865 -7.435 -0.016 319 2HD1 LEU 43 2HD1 LEU 43 11.839 -8.179 -1.284 320 3HD1 LEU 43 3HD1 LEU 43 10.175 -8.704 -1.028 321 1HD2 LEU 43 1HD2 LEU 43 8.724 -5.429 -1.934 322 2HD2 LEU 43 2HD2 LEU 43 10.155 -4.901 -1.048 323 3HD2 LEU 43 3HD2 LEU 43 9.118 -6.163 -0.380 324 H LYS 44 H LYS 44 12.290 -8.162 -3.963 325 HA LYS 44 HA LYS 44 11.487 -9.373 -6.343 326 1HB LYS 44 2HB LYS 44 13.172 -10.114 -4.451 327 2HB LYS 44 1HB LYS 44 11.779 -11.006 -3.856 328 1HG LYS 44 2HG LYS 44 12.416 -12.636 -5.222 329 2HG LYS 44 1HG LYS 44 11.819 -11.625 -6.538 330 1HD LYS 44 2HD LYS 44 14.027 -12.249 -7.127 331 2HD LYS 44 1HD LYS 44 14.115 -10.568 -6.597 332 1HE LYS 44 2HE LYS 44 15.773 -11.239 -5.259 333 2HE LYS 44 1HE LYS 44 14.511 -11.967 -4.266 334 1HZ LYS 44 1HZ LYS 44 14.845 -14.053 -5.293 335 2HZ LYS 44 2HZ LYS 44 16.385 -13.474 -4.899 336 3HZ LYS 44 3HZ LYS 44 15.836 -13.398 -6.498 337 1H SER 45 1HT SER 45 14.803 10.723 5.022 338 2H SER 45 2HT SER 45 15.055 9.153 5.668 339 3H SER 45 3HT SER 45 14.338 10.377 6.634 340 HA SER 45 HA SER 45 12.602 9.047 5.989 341 1HB SER 45 2HB SER 45 12.684 11.280 3.948 342 2HB SER 45 1HB SER 45 11.259 10.572 4.709 343 HG SER 45 HG SER 45 11.714 12.477 5.761 344 H ASN 46 H ASN 46 13.357 7.063 5.141 345 HA ASN 46 HA ASN 46 13.731 6.942 2.237 346 1HB ASN 46 2HB ASN 46 14.297 4.924 4.417 347 2HB ASN 46 1HB ASN 46 14.498 4.596 2.698 348 1HD2 ASN 46 1HD2 ASN 46 15.441 6.968 5.158 349 2HD2 ASN 46 2HD2 ASN 46 17.049 7.194 4.569 350 H PHE 47 H PHE 47 12.039 5.079 4.773 351 HA PHE 47 HA PHE 47 10.114 4.186 2.754 352 1HB PHE 47 2HB PHE 47 10.953 2.359 4.005 353 2HB PHE 47 1HB PHE 47 10.785 3.221 5.529 354 HD1 PHE 47 1HD PHE 47 8.887 1.590 2.804 355 HD2 PHE 47 2HD PHE 47 8.804 3.100 6.781 356 HE1 PHE 47 1HE PHE 47 6.687 0.544 3.152 357 HE2 PHE 47 2HE PHE 47 6.606 2.055 7.137 358 HZ PHE 47 HZ PHE 47 5.545 0.774 5.322 359 H LEU 48 H LEU 48 8.878 6.058 2.522 360 HA LEU 48 HA LEU 48 7.453 7.000 4.906 361 1HB LEU 48 2HB LEU 48 8.668 8.399 2.876 362 2HB LEU 48 1HB LEU 48 6.984 8.430 2.391 363 HG LEU 48 HG LEU 48 6.809 9.116 5.036 364 1HD1 LEU 48 1HD1 LEU 48 8.500 10.684 5.578 365 2HD1 LEU 48 2HD1 LEU 48 9.220 10.566 3.973 366 3HD1 LEU 48 3HD1 LEU 48 9.320 9.203 5.086 367 1HD2 LEU 48 1HD2 LEU 48 6.792 11.523 4.012 368 2HD2 LEU 48 2HD2 LEU 48 5.546 10.355 3.570 369 3HD2 LEU 48 3HD2 LEU 48 6.902 10.653 2.482 370 H ASN 49 H ASN 49 6.159 5.028 4.888 371 HA ASN 49 HA ASN 49 4.175 4.860 2.744 372 1HB ASN 49 2HB ASN 49 5.371 2.796 3.513 373 2HB ASN 49 1HB ASN 49 4.589 2.982 5.079 374 1HD2 ASN 49 1HD2 ASN 49 4.406 0.817 3.138 375 2HD2 ASN 49 2HD2 ASN 49 2.730 0.663 2.751 376 H CYS 50 H CYS 50 2.040 5.306 3.037 377 HA CYS 50 HA CYS 50 0.992 5.704 5.715 378 1HB CYS 50 2HB CYS 50 0.096 7.986 5.055 379 2HB CYS 50 1HB CYS 50 1.823 7.897 5.379 380 HG CYS 50 HG CYS 50 1.493 9.264 3.209 381 H TYR 51 H TYR 51 -0.963 4.838 5.806 382 HA TYR 51 HA TYR 51 -2.610 4.823 3.361 383 1HB TYR 51 2HB TYR 51 -3.239 2.625 3.681 384 2HB TYR 51 1HB TYR 51 -1.589 2.575 4.284 385 HD1 TYR 51 1HD TYR 51 -5.101 2.235 5.122 386 HD2 TYR 51 2HD TYR 51 -1.172 2.505 6.730 387 HE1 TYR 51 1HE TYR 51 -5.922 1.345 7.263 388 HE2 TYR 51 2HE TYR 51 -1.982 1.615 8.873 389 HH TYR 51 HH TYR 51 -4.184 0.014 9.490 390 H VAL 52 H VAL 52 -4.807 5.238 3.590 391 HA VAL 52 HA VAL 52 -5.799 5.830 6.281 392 HB VAL 52 HB VAL 52 -4.939 7.954 5.384 393 1HG1 VAL 52 1HG1 VAL 52 -5.136 7.625 3.033 394 2HG1 VAL 52 2HG1 VAL 52 -6.159 8.995 3.463 395 3HG1 VAL 52 3HG1 VAL 52 -6.883 7.418 3.149 396 1HG2 VAL 52 1HG2 VAL 52 -6.888 9.294 5.812 397 2HG2 VAL 52 2HG2 VAL 52 -6.923 7.891 6.879 398 3HG2 VAL 52 3HG2 VAL 52 -7.953 7.937 5.449 399 H SER 53 H SER 53 -8.115 6.071 6.408 400 HA SER 53 HA SER 53 -10.299 5.691 5.824 401 1HB SER 53 2HB SER 53 -9.520 6.390 3.457 402 2HB SER 53 1HB SER 53 -9.484 4.660 3.117 403 HG SER 53 HG SER 53 -11.511 5.843 2.663 404 H GLY 54 H GLY 54 -8.561 3.181 3.968 405 1HA GLY 54 2HA GLY 54 -8.397 0.909 4.349 406 2HA GLY 54 1HA GLY 54 -9.077 1.169 5.947 407 H PHE 55 H PHE 55 -10.046 -0.984 5.152 408 HA PHE 55 HA PHE 55 -12.797 -0.573 4.679 409 1HB PHE 55 2HB PHE 55 -12.796 -1.910 2.460 410 2HB PHE 55 1HB PHE 55 -12.412 -0.194 2.404 411 HD1 PHE 55 1HD PHE 55 -11.170 -0.182 0.399 412 HD2 PHE 55 2HD PHE 55 -10.090 -2.841 3.544 413 HE1 PHE 55 1HE PHE 55 -9.058 -0.691 -0.752 414 HE2 PHE 55 2HE PHE 55 -7.981 -3.351 2.397 415 HZ PHE 55 HZ PHE 55 -7.461 -2.275 0.245 416 H HIS 56 H HIS 56 -13.766 -2.871 3.893 417 HA HIS 56 HA HIS 56 -12.472 -4.859 5.629 418 1HB HIS 56 2HB HIS 56 -14.599 -4.356 6.541 419 2HB HIS 56 1HB HIS 56 -15.379 -4.402 4.969 420 HD1 HIS 56 1HD HIS 56 -15.187 -6.972 3.832 421 HD2 HIS 56 2HD HIS 56 -15.038 -6.595 7.967 422 HE1 HIS 56 1HE HIS 56 -15.768 -9.246 4.734 423 HE2 HIS 56 2HE HIS 56 -15.608 -9.011 7.238 424 HA PRO 57 HA PRO 57 -13.461 -7.337 1.740 425 1HB PRO 57 2HB PRO 57 -15.261 -6.582 -0.044 426 2HB PRO 57 1HB PRO 57 -15.776 -7.101 1.565 427 1HG PRO 57 2HG PRO 57 -15.588 -4.352 0.432 428 2HG PRO 57 1HG PRO 57 -16.770 -5.019 1.570 429 1HD PRO 57 2HD PRO 57 -14.471 -3.493 2.206 430 2HD PRO 57 1HD PRO 57 -15.523 -4.359 3.338 431 H SER 58 H SER 58 -11.289 -6.750 1.127 432 HA SER 58 HA SER 58 -10.991 -5.972 -1.547 433 1HB SER 58 2HB SER 58 -11.504 -3.717 -0.799 434 2HB SER 58 1HB SER 58 -10.269 -3.821 0.457 435 HG SER 58 HG SER 58 -8.700 -3.740 -1.065 436 H ASP 59 H ASP 59 -8.596 -5.509 -2.071 437 HA ASP 59 HA ASP 59 -6.825 -6.875 -0.169 438 1HB ASP 59 2HB ASP 59 -6.747 -7.463 -3.126 439 2HB ASP 59 1HB ASP 59 -5.927 -8.323 -1.828 440 H ILE 60 H ILE 60 -4.972 -5.827 0.146 441 HA ILE 60 HA ILE 60 -3.745 -4.277 -1.980 442 HB ILE 60 HB ILE 60 -3.526 -2.244 -0.580 443 1HG1 ILE 60 2HG1 ILE 60 -5.724 -2.495 1.157 444 2HG1 ILE 60 1HG1 ILE 60 -4.783 -3.966 1.374 445 1HG2 ILE 60 1HG2 ILE 60 -5.808 -1.421 -0.950 446 2HG2 ILE 60 2HG2 ILE 60 -6.355 -3.076 -1.208 447 3HG2 ILE 60 3HG2 ILE 60 -5.208 -2.342 -2.327 448 1HD1 ILE 60 1HD1 ILE 60 -4.337 -1.622 2.659 449 2HD1 ILE 60 2HD1 ILE 60 -3.188 -1.517 1.325 450 3HD1 ILE 60 3HD1 ILE 60 -3.136 -2.891 2.429 451 H GLU 61 H GLU 61 -1.861 -5.386 -1.909 452 HA GLU 61 HA GLU 61 -0.561 -5.807 0.681 453 1HB GLU 61 2HB GLU 61 -0.853 -7.652 -1.086 454 2HB GLU 61 1HB GLU 61 0.428 -6.832 -1.969 455 1HG GLU 61 2HG GLU 61 1.844 -8.087 -0.813 456 2HG GLU 61 1HG GLU 61 1.463 -7.062 0.570 457 H VAL 62 H VAL 62 1.351 -4.895 1.244 458 HA VAL 62 HA VAL 62 2.824 -3.309 -0.716 459 HB VAL 62 HB VAL 62 1.931 -2.130 1.916 460 1HG1 VAL 62 1HG1 VAL 62 3.861 -0.998 1.528 461 2HG1 VAL 62 2HG1 VAL 62 2.789 -0.038 0.508 462 3HG1 VAL 62 3HG1 VAL 62 3.810 -1.284 -0.212 463 1HG2 VAL 62 1HG2 VAL 62 1.023 -1.385 -0.861 464 2HG2 VAL 62 2HG2 VAL 62 0.471 -0.687 0.662 465 3HG2 VAL 62 3HG2 VAL 62 0.086 -2.363 0.269 466 H ASP 63 H ASP 63 4.900 -3.836 -0.546 467 HA ASP 63 HA ASP 63 6.076 -4.189 2.103 468 1HB ASP 63 2HB ASP 63 6.444 -6.252 -0.076 469 2HB ASP 63 1HB ASP 63 7.124 -6.298 1.547 470 H LEU 64 H LEU 64 8.083 -3.375 2.260 471 HA LEU 64 HA LEU 64 9.457 -2.637 -0.243 472 1HB LEU 64 2HB LEU 64 8.925 -1.093 2.234 473 2HB LEU 64 1HB LEU 64 10.488 -0.862 1.478 474 HG LEU 64 HG LEU 64 8.825 -0.590 -0.662 475 1HD1 LEU 64 1HD1 LEU 64 6.997 -0.669 1.267 476 2HD1 LEU 64 2HD1 LEU 64 6.823 0.345 -0.165 477 3HD1 LEU 64 3HD1 LEU 64 7.400 1.046 1.347 478 1HD2 LEU 64 1HD2 LEU 64 9.709 1.477 -0.760 479 2HD2 LEU 64 2HD2 LEU 64 10.682 0.910 0.597 480 3HD2 LEU 64 3HD2 LEU 64 9.234 1.873 0.892 481 H LEU 65 H LEU 65 11.472 -3.394 -0.503 482 HA LEU 65 HA LEU 65 13.007 -4.166 1.874 483 1HB LEU 65 2HB LEU 65 11.924 -6.201 1.094 484 2HB LEU 65 1HB LEU 65 12.554 -5.942 -0.520 485 HG LEU 65 HG LEU 65 14.628 -6.046 1.550 486 1HD1 LEU 65 1HD1 LEU 65 14.322 -8.691 1.335 487 2HD1 LEU 65 2HD1 LEU 65 12.628 -8.206 1.298 488 3HD1 LEU 65 3HD1 LEU 65 13.645 -7.751 2.665 489 1HD2 LEU 65 1HD2 LEU 65 15.867 -6.799 -0.159 490 2HD2 LEU 65 2HD2 LEU 65 14.523 -6.259 -1.163 491 3HD2 LEU 65 3HD2 LEU 65 14.636 -7.950 -0.676 492 H LYS 66 H LYS 66 13.016 -3.626 -1.625 493 HA LYS 66 HA LYS 66 14.653 -2.987 -3.072 494 1HB LYS 66 2HB LYS 66 15.673 -0.931 -2.555 495 2HB LYS 66 1HB LYS 66 14.165 -0.927 -1.657 496 1HG LYS 66 2HG LYS 66 16.408 -1.989 -0.124 497 2HG LYS 66 1HG LYS 66 16.641 -0.325 -0.653 498 1HD LYS 66 2HD LYS 66 14.379 0.199 0.282 499 2HD LYS 66 1HD LYS 66 14.348 -1.428 0.963 500 1HE LYS 66 2HE LYS 66 15.107 -0.064 2.712 501 2HE LYS 66 1HE LYS 66 16.562 -0.826 2.072 502 1HZ LYS 66 1HZ LYS 66 15.645 1.960 1.735 503 2HZ LYS 66 2HZ LYS 66 16.761 1.276 0.664 504 3HZ LYS 66 3HZ LYS 66 17.134 1.398 2.310 505 1H SER 67 1HT SER 67 15.280 6.825 13.678 506 2H SER 67 2HT SER 67 13.760 7.302 13.041 507 3H SER 67 3HT SER 67 15.210 7.894 12.341 508 HA SER 67 HA SER 67 15.807 5.661 11.708 509 1HB SER 67 2HB SER 67 14.417 4.648 13.571 510 2HB SER 67 1HB SER 67 12.995 4.955 12.573 511 HG SER 67 HG SER 67 15.223 3.487 11.632 512 H ASN 68 H ASN 68 14.745 4.559 9.766 513 HA ASN 68 HA ASN 68 13.361 6.628 8.204 514 1HB ASN 68 2HB ASN 68 14.739 4.206 7.059 515 2HB ASN 68 1HB ASN 68 14.331 5.715 6.250 516 1HD2 ASN 68 1HD2 ASN 68 16.771 3.969 7.609 517 2HD2 ASN 68 2HD2 ASN 68 17.908 5.238 7.889 518 H PHE 69 H PHE 69 12.086 4.699 10.068 519 HA PHE 69 HA PHE 69 10.477 3.137 8.168 520 1HB PHE 69 2HB PHE 69 11.443 1.737 9.861 521 2HB PHE 69 1HB PHE 69 10.915 2.824 11.141 522 HD1 PHE 69 1HD PHE 69 8.878 1.719 8.262 523 HD2 PHE 69 2HD PHE 69 9.635 1.327 12.430 524 HE1 PHE 69 1HE PHE 69 6.808 0.415 8.510 525 HE2 PHE 69 2HE PHE 69 7.566 0.020 12.686 526 HZ PHE 69 HZ PHE 69 6.149 -0.437 10.724 527 H LEU 70 H LEU 70 9.172 4.890 7.506 528 HA LEU 70 HA LEU 70 7.534 6.211 9.523 529 1HB LEU 70 2HB LEU 70 8.513 6.898 6.943 530 2HB LEU 70 1HB LEU 70 6.761 6.903 6.861 531 HG LEU 70 HG LEU 70 7.495 9.119 7.388 532 1HD1 LEU 70 1HD1 LEU 70 5.980 9.518 9.007 533 2HD1 LEU 70 2HD1 LEU 70 6.676 8.324 10.103 534 3HD1 LEU 70 3HD1 LEU 70 5.616 7.805 8.793 535 1HD2 LEU 70 1HD2 LEU 70 8.804 8.186 9.910 536 2HD2 LEU 70 2HD2 LEU 70 9.021 9.698 9.029 537 3HD2 LEU 70 3HD2 LEU 70 9.700 8.202 8.391 538 H ASN 71 H ASN 71 6.134 4.636 10.245 539 HA ASN 71 HA ASN 71 4.479 3.240 8.278 540 1HB ASN 71 2HB ASN 71 3.620 2.049 10.389 541 2HB ASN 71 1HB ASN 71 5.276 1.724 9.889 542 1HD2 ASN 71 1HD2 ASN 71 3.437 3.953 11.948 543 2HD2 ASN 71 2HD2 ASN 71 4.594 3.991 13.230 544 H CYS 72 H CYS 72 3.729 5.682 8.012 545 HA CYS 72 HA CYS 72 1.955 6.811 9.860 546 1HB CYS 72 2HB CYS 72 2.719 7.263 7.091 547 2HB CYS 72 1HB CYS 72 1.010 7.586 7.354 548 HG CYS 72 HG CYS 72 1.723 9.749 8.227 549 H TYR 73 H TYR 73 0.062 6.095 10.574 550 HA TYR 73 HA TYR 73 -1.630 4.543 8.734 551 1HB TYR 73 2HB TYR 73 -2.390 3.398 10.997 552 2HB TYR 73 1HB TYR 73 -1.003 2.806 10.093 553 HD1 TYR 73 1HD TYR 73 0.892 2.324 11.304 554 HD2 TYR 73 2HD TYR 73 -1.737 5.340 12.752 555 HE1 TYR 73 1HE TYR 73 2.307 2.596 13.296 556 HE2 TYR 73 2HE TYR 73 -0.327 5.623 14.744 557 HH TYR 73 HH TYR 73 2.792 4.240 15.002 558 H VAL 74 H VAL 74 -3.746 5.039 8.692 559 HA VAL 74 HA VAL 74 -4.985 6.566 10.809 560 HB VAL 74 HB VAL 74 -5.829 8.244 8.969 561 1HG1 VAL 74 1HG1 VAL 74 -4.146 8.429 11.071 562 2HG1 VAL 74 2HG1 VAL 74 -4.595 9.791 10.044 563 3HG1 VAL 74 3HG1 VAL 74 -3.079 8.934 9.760 564 1HG2 VAL 74 1HG2 VAL 74 -3.092 7.548 7.908 565 2HG2 VAL 74 2HG2 VAL 74 -4.167 8.813 7.312 566 3HG2 VAL 74 3HG2 VAL 74 -4.617 7.117 7.132 567 H SER 75 H SER 75 -5.757 4.169 10.358 568 HA SER 75 HA SER 75 -8.429 4.216 9.730 569 1HB SER 75 2HB SER 75 -8.502 4.353 7.486 570 2HB SER 75 1HB SER 75 -6.763 4.113 7.346 571 HG SER 75 HG SER 75 -7.464 2.315 6.443 572 H GLY 76 H GLY 76 -9.237 1.857 9.122 573 1HA GLY 76 2HA GLY 76 -7.446 -0.111 10.388 574 2HA GLY 76 1HA GLY 76 -9.089 0.083 10.978 575 H PHE 77 H PHE 77 -7.682 -2.232 9.744 576 HA PHE 77 HA PHE 77 -9.840 -3.091 8.078 577 1HB PHE 77 2HB PHE 77 -8.215 -3.676 6.148 578 2HB PHE 77 1HB PHE 77 -8.829 -2.033 6.264 579 HD1 PHE 77 1HD PHE 77 -6.264 -3.097 8.625 580 HD2 PHE 77 2HD PHE 77 -6.990 -1.278 4.845 581 HE1 PHE 77 1HE PHE 77 -3.961 -2.240 8.599 582 HE2 PHE 77 2HE PHE 77 -4.686 -0.416 4.815 583 HZ PHE 77 HZ PHE 77 -3.169 -0.897 6.693 584 H HIS 78 H HIS 78 -9.724 -4.531 9.977 585 HA HIS 78 HA HIS 78 -7.533 -6.305 10.315 586 1HB HIS 78 2HB HIS 78 -10.267 -6.039 11.430 587 2HB HIS 78 1HB HIS 78 -9.544 -7.642 11.510 588 HD1 HIS 78 1HD HIS 78 -9.931 -6.688 14.172 589 HD2 HIS 78 2HD HIS 78 -6.664 -5.366 11.971 590 HE1 HIS 78 1HE HIS 78 -8.276 -5.844 15.867 591 HE2 HIS 78 2HE HIS 78 -6.346 -4.964 14.507 592 HA PRO 79 HA PRO 79 -10.044 -9.590 7.954 593 1HB PRO 79 2HB PRO 79 -12.576 -9.175 7.212 594 2HB PRO 79 1HB PRO 79 -12.176 -9.595 8.884 595 1HG PRO 79 2HG PRO 79 -12.768 -6.905 7.699 596 2HG PRO 79 1HG PRO 79 -13.363 -7.613 9.213 597 1HD PRO 79 2HD PRO 79 -11.274 -5.850 9.084 598 2HD PRO 79 1HD PRO 79 -11.457 -7.072 10.358 599 H SER 80 H SER 80 -8.510 -8.875 6.331 600 HA SER 80 HA SER 80 -9.653 -8.496 3.789 601 1HB SER 80 2HB SER 80 -10.048 -6.210 4.390 602 2HB SER 80 1HB SER 80 -8.421 -6.039 5.049 603 HG SER 80 HG SER 80 -9.054 -6.525 2.324 604 H ASP 81 H ASP 81 -8.094 -8.507 2.082 605 HA ASP 81 HA ASP 81 -5.666 -9.868 2.825 606 1HB ASP 81 2HB ASP 81 -7.036 -10.500 0.828 607 2HB ASP 81 1HB ASP 81 -6.564 -8.980 0.075 608 H ILE 82 H ILE 82 -5.136 -7.744 4.056 609 HA ILE 82 HA ILE 82 -3.595 -5.981 2.272 610 HB ILE 82 HB ILE 82 -3.858 -4.179 3.765 611 1HG1 ILE 82 2HG1 ILE 82 -3.490 -5.458 5.872 612 2HG1 ILE 82 1HG1 ILE 82 -4.823 -4.317 5.984 613 1HG2 ILE 82 1HG2 ILE 82 -6.583 -5.295 4.100 614 2HG2 ILE 82 2HG2 ILE 82 -5.942 -5.174 2.462 615 3HG2 ILE 82 3HG2 ILE 82 -6.063 -3.732 3.470 616 1HD1 ILE 82 1HD1 ILE 82 -4.865 -7.286 5.964 617 2HD1 ILE 82 2HD1 ILE 82 -6.258 -6.406 5.335 618 3HD1 ILE 82 3HD1 ILE 82 -5.728 -6.146 6.997 619 H GLU 83 H GLU 83 -1.506 -5.313 2.925 620 HA GLU 83 HA GLU 83 -0.286 -6.408 5.280 621 1HB GLU 83 2HB GLU 83 -0.266 -8.387 3.827 622 2HB GLU 83 1HB GLU 83 0.567 -7.469 2.580 623 1HG GLU 83 2HG GLU 83 2.052 -8.951 3.877 624 2HG GLU 83 1HG GLU 83 2.515 -7.251 3.951 625 H VAL 84 H VAL 84 0.316 -4.305 5.723 626 HA VAL 84 HA VAL 84 2.162 -3.019 3.826 627 HB VAL 84 HB VAL 84 0.665 -1.817 6.162 628 1HG1 VAL 84 1HG1 VAL 84 1.532 0.297 4.730 629 2HG1 VAL 84 2HG1 VAL 84 2.872 -0.821 4.481 630 3HG1 VAL 84 3HG1 VAL 84 2.395 -0.367 6.117 631 1HG2 VAL 84 1HG2 VAL 84 -0.868 -2.251 4.397 632 2HG2 VAL 84 2HG2 VAL 84 0.257 -1.640 3.184 633 3HG2 VAL 84 3HG2 VAL 84 -0.487 -0.531 4.336 634 H ASP 85 H ASP 85 4.256 -3.248 4.261 635 HA ASP 85 HA ASP 85 5.383 -2.673 6.780 636 1HB ASP 85 2HB ASP 85 4.471 -5.364 6.457 637 2HB ASP 85 1HB ASP 85 6.231 -5.374 6.515 638 H LEU 86 H LEU 86 7.762 -3.785 6.786 639 HA LEU 86 HA LEU 86 9.026 -4.189 4.310 640 1HB LEU 86 2HB LEU 86 10.237 -2.093 4.050 641 2HB LEU 86 1HB LEU 86 8.510 -1.843 3.925 642 HG LEU 86 HG LEU 86 9.452 -0.014 5.140 643 1HD1 LEU 86 1HD1 LEU 86 8.179 -1.778 7.210 644 2HD1 LEU 86 2HD1 LEU 86 7.275 -1.000 5.911 645 3HD1 LEU 86 3HD1 LEU 86 8.138 -0.021 7.097 646 1HD2 LEU 86 1HD2 LEU 86 11.465 -1.463 5.888 647 2HD2 LEU 86 2HD2 LEU 86 10.470 -1.802 7.305 648 3HD2 LEU 86 3HD2 LEU 86 10.916 -0.141 6.916 649 H LEU 87 H LEU 87 11.564 -3.373 4.726 650 HA LEU 87 HA LEU 87 12.664 -5.202 6.432 651 1HB LEU 87 2HB LEU 87 13.969 -3.978 4.789 652 2HB LEU 87 1HB LEU 87 13.763 -2.491 5.695 653 HG LEU 87 HG LEU 87 15.057 -4.786 7.080 654 1HD1 LEU 87 1HD1 LEU 87 17.093 -4.613 6.038 655 2HD1 LEU 87 2HD1 LEU 87 16.755 -3.003 5.401 656 3HD1 LEU 87 3HD1 LEU 87 15.999 -4.418 4.667 657 1HD2 LEU 87 1HD2 LEU 87 15.176 -1.796 7.151 658 2HD2 LEU 87 2HD2 LEU 87 16.472 -2.766 7.852 659 3HD2 LEU 87 3HD2 LEU 87 14.822 -2.931 8.453 660 H LYS 88 H LYS 88 11.987 -5.451 8.485 661 HA LYS 88 HA LYS 88 11.831 -5.084 10.727 662 1HB LYS 88 2HB LYS 88 14.066 -3.761 10.104 663 2HB LYS 88 1HB LYS 88 13.078 -2.384 10.574 664 1HG LYS 88 2HG LYS 88 13.800 -4.768 12.260 665 2HG LYS 88 1HG LYS 88 14.333 -3.100 12.472 666 1HD LYS 88 2HD LYS 88 11.460 -4.002 12.648 667 2HD LYS 88 1HD LYS 88 12.525 -3.800 14.040 668 1HE LYS 88 2HE LYS 88 12.887 -1.411 13.029 669 2HE LYS 88 1HE LYS 88 11.352 -1.740 12.229 670 1HZ LYS 88 1HZ LYS 88 11.643 -2.124 15.139 671 2HZ LYS 88 2HZ LYS 88 10.237 -1.856 14.239 672 3HZ LYS 88 3HZ LYS 88 11.327 -0.589 14.501 Start of MODEL 3 1 1H SER 1 1HT SER 1 17.746 4.814 -1.811 2 2H SER 1 2HT SER 1 16.430 5.629 -1.070 3 3H SER 1 3HT SER 1 17.488 6.479 -2.120 4 HA SER 1 HA SER 1 16.745 5.318 -3.975 5 1HB SER 1 2HB SER 1 15.196 3.455 -3.811 6 2HB SER 1 1HB SER 1 16.582 3.133 -2.769 7 HG SER 1 HG SER 1 15.306 3.149 -1.103 8 H ASN 2 H ASN 2 14.643 5.628 -5.051 9 HA ASN 2 HA ASN 2 12.928 7.516 -3.572 10 1HB ASN 2 2HB ASN 2 14.304 8.648 -5.283 11 2HB ASN 2 1HB ASN 2 13.622 7.592 -6.517 12 1HD2 ASN 2 1HD2 ASN 2 12.523 9.008 -7.727 13 2HD2 ASN 2 2HD2 ASN 2 11.240 10.010 -7.151 14 H PHE 3 H PHE 3 10.736 7.312 -3.775 15 HA PHE 3 HA PHE 3 9.502 5.677 -5.765 16 1HB PHE 3 2HB PHE 3 10.438 3.942 -4.244 17 2HB PHE 3 1HB PHE 3 9.481 4.619 -2.931 18 HD1 PHE 3 1HD PHE 3 7.526 3.544 -2.439 19 HD2 PHE 3 2HD PHE 3 8.958 3.459 -6.443 20 HE1 PHE 3 1HE PHE 3 5.633 2.110 -3.079 21 HE2 PHE 3 2HE PHE 3 7.066 2.027 -7.094 22 HZ PHE 3 HZ PHE 3 5.400 1.349 -5.409 23 H LEU 4 H LEU 4 7.558 6.508 -6.123 24 HA LEU 4 HA LEU 4 6.111 7.748 -3.881 25 1HB LEU 4 2HB LEU 4 6.004 8.880 -6.657 26 2HB LEU 4 1HB LEU 4 5.530 9.635 -5.147 27 HG LEU 4 HG LEU 4 8.357 9.086 -6.052 28 1HD1 LEU 4 1HD1 LEU 4 7.407 11.810 -5.445 29 2HD1 LEU 4 2HD1 LEU 4 6.762 11.070 -6.910 30 3HD1 LEU 4 3HD1 LEU 4 8.505 11.240 -6.703 31 1HD2 LEU 4 1HD2 LEU 4 8.490 10.792 -3.913 32 2HD2 LEU 4 2HD2 LEU 4 8.813 9.058 -3.862 33 3HD2 LEU 4 3HD2 LEU 4 7.218 9.672 -3.428 34 H ASN 5 H ASN 5 4.720 6.005 -3.660 35 HA ASN 5 HA ASN 5 3.000 5.423 -5.978 36 1HB ASN 5 2HB ASN 5 4.403 3.576 -4.749 37 2HB ASN 5 1HB ASN 5 3.101 3.651 -3.568 38 1HD2 ASN 5 1HD2 ASN 5 0.865 3.560 -4.569 39 2HD2 ASN 5 2HD2 ASN 5 0.636 2.394 -5.823 40 H CYS 6 H CYS 6 1.712 7.287 -5.533 41 HA CYS 6 HA CYS 6 0.208 7.293 -3.035 42 1HB CYS 6 2HB CYS 6 -0.709 9.452 -3.897 43 2HB CYS 6 1HB CYS 6 1.044 9.439 -3.731 44 HG CYS 6 HG CYS 6 -0.350 9.172 -6.502 45 H TYR 7 H TYR 7 -1.793 6.541 -2.845 46 HA TYR 7 HA TYR 7 -3.265 5.854 -5.303 47 1HB TYR 7 2HB TYR 7 -2.464 4.112 -3.404 48 2HB TYR 7 1HB TYR 7 -4.027 4.577 -2.743 49 HD1 TYR 7 1HD TYR 7 -5.767 3.181 -3.272 50 HD2 TYR 7 2HD TYR 7 -2.630 3.688 -6.096 51 HE1 TYR 7 1HE TYR 7 -6.878 1.589 -4.779 52 HE2 TYR 7 2HE TYR 7 -3.731 2.095 -7.614 53 HH TYR 7 HH TYR 7 -5.327 0.306 -7.562 54 H VAL 8 H VAL 8 -5.618 5.997 -5.180 55 HA VAL 8 HA VAL 8 -6.981 7.250 -3.076 56 HB VAL 8 HB VAL 8 -5.641 9.209 -3.654 57 1HG1 VAL 8 1HG1 VAL 8 -7.006 9.375 -6.310 58 2HG1 VAL 8 2HG1 VAL 8 -5.506 8.467 -6.126 59 3HG1 VAL 8 3HG1 VAL 8 -5.545 10.189 -5.748 60 1HG2 VAL 8 1HG2 VAL 8 -7.348 10.679 -3.386 61 2HG2 VAL 8 2HG2 VAL 8 -8.254 9.190 -3.116 62 3HG2 VAL 8 3HG2 VAL 8 -8.304 9.980 -4.693 63 H SER 9 H SER 9 -8.771 6.115 -3.397 64 HA SER 9 HA SER 9 -10.466 5.000 -4.512 65 1HB SER 9 2HB SER 9 -11.301 7.269 -3.888 66 2HB SER 9 1HB SER 9 -10.913 7.813 -5.520 67 HG SER 9 HG SER 9 -12.326 5.992 -6.194 68 H GLY 10 H GLY 10 -9.760 3.583 -6.056 69 1HA GLY 10 2HA GLY 10 -10.396 3.998 -8.720 70 2HA GLY 10 1HA GLY 10 -8.691 4.390 -8.568 71 H PHE 11 H PHE 11 -10.695 2.025 -9.486 72 HA PHE 11 HA PHE 11 -8.734 0.044 -9.649 73 1HB PHE 11 2HB PHE 11 -8.985 -0.152 -7.224 74 2HB PHE 11 1HB PHE 11 -10.717 -0.398 -7.408 75 HD1 PHE 11 1HD PHE 11 -7.416 -1.871 -8.220 76 HD2 PHE 11 2HD PHE 11 -11.591 -2.536 -7.745 77 HE1 PHE 11 1HE PHE 11 -7.047 -4.298 -8.391 78 HE2 PHE 11 2HE PHE 11 -11.228 -4.965 -7.913 79 HZ PHE 11 HZ PHE 11 -8.954 -5.848 -8.237 80 H HIS 12 H HIS 12 -9.604 -2.047 -10.438 81 HA HIS 12 HA HIS 12 -12.355 -2.246 -11.168 82 1HB HIS 12 2HB HIS 12 -10.597 -0.865 -12.972 83 2HB HIS 12 1HB HIS 12 -11.139 -2.363 -13.719 84 HD1 HIS 12 1HD HIS 12 -13.369 -0.443 -11.394 85 HD2 HIS 12 2HD HIS 12 -12.869 -1.068 -15.472 86 HE1 HIS 12 1HE HIS 12 -15.423 0.520 -12.479 87 HE2 HIS 12 2HE HIS 12 -15.134 0.062 -14.940 88 HA PRO 13 HA PRO 13 -10.063 -6.056 -13.034 89 1HB PRO 13 2HB PRO 13 -7.341 -6.045 -13.014 90 2HB PRO 13 1HB PRO 13 -8.299 -5.436 -14.369 91 1HG PRO 13 2HG PRO 13 -6.997 -3.920 -12.138 92 2HG PRO 13 1HG PRO 13 -7.030 -3.546 -13.871 93 1HD PRO 13 2HD PRO 13 -8.657 -2.317 -12.116 94 2HD PRO 13 1HD PRO 13 -9.176 -2.691 -13.771 95 H SER 14 H SER 14 -10.509 -7.454 -11.455 96 HA SER 14 HA SER 14 -10.117 -7.365 -8.803 97 1HB SER 14 2HB SER 14 -10.249 -9.641 -10.716 98 2HB SER 14 1HB SER 14 -9.785 -9.998 -9.053 99 HG SER 14 HG SER 14 -11.786 -9.743 -8.499 100 H ASP 15 H ASP 15 -7.766 -8.954 -10.980 101 HA ASP 15 HA ASP 15 -5.841 -9.130 -8.828 102 1HB ASP 15 2HB ASP 15 -6.297 -10.541 -11.217 103 2HB ASP 15 1HB ASP 15 -4.740 -9.747 -11.428 104 H ILE 16 H ILE 16 -4.390 -7.637 -8.341 105 HA ILE 16 HA ILE 16 -3.257 -5.952 -10.429 106 HB ILE 16 HB ILE 16 -4.848 -4.880 -8.111 107 1HG1 ILE 16 2HG1 ILE 16 -5.962 -5.226 -10.296 108 2HG1 ILE 16 1HG1 ILE 16 -5.907 -3.527 -9.834 109 1HG2 ILE 16 1HG2 ILE 16 -3.018 -3.540 -7.789 110 2HG2 ILE 16 2HG2 ILE 16 -3.865 -2.615 -9.027 111 3HG2 ILE 16 3HG2 ILE 16 -2.505 -3.646 -9.472 112 1HD1 ILE 16 1HD1 ILE 16 -4.949 -4.771 -12.202 113 2HD1 ILE 16 2HD1 ILE 16 -3.586 -4.051 -11.346 114 3HD1 ILE 16 3HD1 ILE 16 -4.978 -3.060 -11.782 115 H GLU 17 H GLU 17 -1.158 -5.517 -10.087 116 HA GLU 17 HA GLU 17 -0.043 -5.663 -7.403 117 1HB GLU 17 2HB GLU 17 1.818 -7.165 -8.311 118 2HB GLU 17 1HB GLU 17 0.266 -7.921 -7.973 119 1HG GLU 17 2HG GLU 17 -0.253 -8.162 -10.219 120 2HG GLU 17 1HG GLU 17 0.909 -6.934 -10.719 121 H VAL 18 H VAL 18 1.798 -4.448 -7.128 122 HA VAL 18 HA VAL 18 2.614 -2.839 -9.456 123 HB VAL 18 HB VAL 18 3.005 -2.121 -6.552 124 1HG1 VAL 18 1HG1 VAL 18 4.500 -0.825 -7.731 125 2HG1 VAL 18 2HG1 VAL 18 3.071 0.210 -7.726 126 3HG1 VAL 18 3HG1 VAL 18 3.468 -0.741 -9.158 127 1HG2 VAL 18 1HG2 VAL 18 0.813 -1.208 -8.414 128 2HG2 VAL 18 2HG2 VAL 18 1.081 -0.648 -6.763 129 3HG2 VAL 18 3HG2 VAL 18 0.611 -2.320 -7.061 130 H ASP 19 H ASP 19 4.878 -2.165 -9.545 131 HA ASP 19 HA ASP 19 6.769 -3.807 -8.059 132 1HB ASP 19 2HB ASP 19 5.952 -4.732 -10.478 133 2HB ASP 19 1HB ASP 19 7.320 -3.732 -10.960 134 H LEU 20 H LEU 20 8.791 -2.905 -7.855 135 HA LEU 20 HA LEU 20 9.217 -0.311 -9.179 136 1HB LEU 20 2HB LEU 20 8.558 0.138 -6.908 137 2HB LEU 20 1HB LEU 20 9.724 -1.017 -6.294 138 HG LEU 20 HG LEU 20 11.553 0.431 -7.164 139 1HD1 LEU 20 1HD1 LEU 20 10.569 2.895 -7.475 140 2HD1 LEU 20 2HD1 LEU 20 9.219 1.967 -8.128 141 3HD1 LEU 20 3HD1 LEU 20 10.830 1.788 -8.823 142 1HD2 LEU 20 1HD2 LEU 20 9.639 1.209 -5.044 143 2HD2 LEU 20 2HD2 LEU 20 10.848 2.404 -5.509 144 3HD2 LEU 20 3HD2 LEU 20 11.355 0.815 -4.936 145 H LEU 21 H LEU 21 11.261 0.148 -9.850 146 HA LEU 21 HA LEU 21 13.483 -0.104 -10.307 147 1HB LEU 21 2HB LEU 21 13.237 -1.455 -7.864 148 2HB LEU 21 1HB LEU 21 14.073 -2.573 -8.924 149 HG LEU 21 HG LEU 21 15.007 0.266 -8.653 150 1HD1 LEU 21 1HD1 LEU 21 16.375 -1.764 -7.030 151 2HD1 LEU 21 2HD1 LEU 21 14.776 -1.293 -6.454 152 3HD1 LEU 21 3HD1 LEU 21 16.027 -0.071 -6.679 153 1HD2 LEU 21 1HD2 LEU 21 16.893 -0.438 -9.703 154 2HD2 LEU 21 2HD2 LEU 21 15.767 -1.615 -10.378 155 3HD2 LEU 21 3HD2 LEU 21 16.802 -2.061 -9.021 156 H LYS 22 H LYS 22 13.190 -0.584 -12.437 157 HA LYS 22 HA LYS 22 12.255 -3.044 -13.438 158 1HB LYS 22 2HB LYS 22 12.811 -0.599 -14.527 159 2HB LYS 22 1HB LYS 22 14.126 -1.573 -15.170 160 1HG LYS 22 2HG LYS 22 12.787 -2.531 -16.652 161 2HG LYS 22 1HG LYS 22 11.621 -2.973 -15.404 162 1HD LYS 22 2HD LYS 22 10.258 -1.275 -15.930 163 2HD LYS 22 1HD LYS 22 11.592 -0.126 -16.039 164 1HE LYS 22 2HE LYS 22 11.099 -2.159 -18.189 165 2HE LYS 22 1HE LYS 22 10.232 -0.624 -18.163 166 1HZ LYS 22 1HZ LYS 22 13.014 -1.169 -18.785 167 2HZ LYS 22 2HZ LYS 22 12.737 0.216 -17.855 168 3HZ LYS 22 3HZ LYS 22 11.992 0.050 -19.364 169 1H SER 23 1HT SER 23 11.472 10.784 2.519 170 2H SER 23 2HT SER 23 10.136 10.227 1.600 171 3H SER 23 3HT SER 23 10.230 11.877 2.069 172 HA SER 23 HA SER 23 10.838 11.889 -0.116 173 1HB SER 23 2HB SER 23 12.968 12.080 1.923 174 2HB SER 23 1HB SER 23 13.539 11.951 0.258 175 HG SER 23 HG SER 23 12.403 14.053 1.522 176 H ASN 24 H ASN 24 12.108 9.118 1.589 177 HA ASN 24 HA ASN 24 13.285 7.965 -0.791 178 1HB ASN 24 2HB ASN 24 13.164 7.257 2.094 179 2HB ASN 24 1HB ASN 24 13.360 5.930 0.954 180 1HD2 ASN 24 1HD2 ASN 24 14.597 9.252 1.042 181 2HD2 ASN 24 2HD2 ASN 24 16.265 8.816 0.915 182 H PHE 25 H PHE 25 11.134 6.334 1.510 183 HA PHE 25 HA PHE 25 9.685 5.198 -0.773 184 1HB PHE 25 2HB PHE 25 10.657 3.580 0.794 185 2HB PHE 25 1HB PHE 25 9.761 4.313 2.121 186 HD1 PHE 25 1HD PHE 25 7.676 3.490 2.688 187 HD2 PHE 25 2HD PHE 25 9.254 2.662 -1.174 188 HE1 PHE 25 1HE PHE 25 5.775 1.998 2.239 189 HE2 PHE 25 2HE PHE 25 7.356 1.165 -1.631 190 HZ PHE 25 HZ PHE 25 5.614 0.832 0.076 191 H LEU 26 H LEU 26 7.918 6.295 -1.317 192 HA LEU 26 HA LEU 26 6.216 7.350 0.843 193 1HB LEU 26 2HB LEU 26 7.073 8.518 -1.745 194 2HB LEU 26 1HB LEU 26 5.422 8.833 -1.241 195 HG LEU 26 HG LEU 26 7.490 9.311 0.812 196 1HD1 LEU 26 1HD1 LEU 26 7.246 11.057 -1.631 197 2HD1 LEU 26 2HD1 LEU 26 8.673 10.163 -1.108 198 3HD1 LEU 26 3HD1 LEU 26 8.072 11.509 -0.140 199 1HD2 LEU 26 1HD2 LEU 26 4.974 10.644 -0.143 200 2HD2 LEU 26 2HD2 LEU 26 6.057 11.409 1.020 201 3HD2 LEU 26 3HD2 LEU 26 5.292 9.868 1.408 202 H ASN 27 H ASN 27 4.862 5.600 1.031 203 HA ASN 27 HA ASN 27 3.143 5.083 -1.302 204 1HB ASN 27 2HB ASN 27 4.785 3.198 -0.670 205 2HB ASN 27 1HB ASN 27 3.764 2.963 0.746 206 1HD2 ASN 27 1HD2 ASN 27 3.740 0.814 -0.498 207 2HD2 ASN 27 2HD2 ASN 27 2.410 0.596 -1.579 208 H CYS 28 H CYS 28 0.960 4.967 -0.924 209 HA CYS 28 HA CYS 28 -0.287 4.513 1.519 210 1HB CYS 28 2HB CYS 28 -1.024 6.905 2.013 211 2HB CYS 28 1HB CYS 28 0.635 6.492 2.435 212 HG CYS 28 HG CYS 28 1.159 8.536 1.180 213 H TYR 29 H TYR 29 -2.607 5.077 1.510 214 HA TYR 29 HA TYR 29 -3.598 5.637 -1.204 215 1HB TYR 29 2HB TYR 29 -5.509 3.952 -0.468 216 2HB TYR 29 1HB TYR 29 -4.039 3.396 -1.252 217 HD1 TYR 29 1HD TYR 29 -2.228 2.366 0.129 218 HD2 TYR 29 2HD TYR 29 -6.058 3.281 1.738 219 HE1 TYR 29 1HE TYR 29 -1.801 0.835 2.005 220 HE2 TYR 29 2HE TYR 29 -5.637 1.757 3.620 221 HH TYR 29 HH TYR 29 -4.262 -0.129 4.191 222 H VAL 30 H VAL 30 -5.699 6.527 -1.359 223 HA VAL 30 HA VAL 30 -6.637 7.784 1.137 224 HB VAL 30 HB VAL 30 -6.802 8.999 -1.621 225 1HG1 VAL 30 1HG1 VAL 30 -7.516 9.963 1.130 226 2HG1 VAL 30 2HG1 VAL 30 -8.522 9.910 -0.318 227 3HG1 VAL 30 3HG1 VAL 30 -7.209 11.081 -0.198 228 1HG2 VAL 30 1HG2 VAL 30 -5.104 10.612 -0.318 229 2HG2 VAL 30 2HG2 VAL 30 -4.573 9.258 -1.315 230 3HG2 VAL 30 3HG2 VAL 30 -4.681 9.075 0.436 231 H SER 31 H SER 31 -8.381 6.616 1.674 232 HA SER 31 HA SER 31 -10.356 5.461 1.504 233 1HB SER 31 2HB SER 31 -10.729 8.121 1.297 234 2HB SER 31 1HB SER 31 -11.481 7.600 -0.211 235 HG SER 31 HG SER 31 -13.108 6.915 0.909 236 H GLY 32 H GLY 32 -12.390 5.444 -0.365 237 1HA GLY 32 2HA GLY 32 -13.044 4.103 -2.120 238 2HA GLY 32 1HA GLY 32 -11.903 5.089 -3.016 239 H PHE 33 H PHE 33 -11.465 2.554 -0.544 240 HA PHE 33 HA PHE 33 -9.809 1.115 -2.509 241 1HB PHE 33 2HB PHE 33 -8.855 2.241 -0.230 242 2HB PHE 33 1HB PHE 33 -9.246 0.624 0.346 243 HD1 PHE 33 1HD PHE 33 -6.793 2.612 -1.172 244 HD2 PHE 33 2HD PHE 33 -8.390 -1.330 -1.186 245 HE1 PHE 33 1HE PHE 33 -4.696 1.770 -2.145 246 HE2 PHE 33 2HE PHE 33 -6.298 -2.180 -2.162 247 HZ PHE 33 HZ PHE 33 -4.447 -0.628 -2.643 248 H HIS 34 H HIS 34 -11.981 0.142 -2.989 249 HA HIS 34 HA HIS 34 -12.584 -2.025 -1.098 250 1HB HIS 34 2HB HIS 34 -14.825 -2.033 -1.838 251 2HB HIS 34 1HB HIS 34 -14.403 -0.335 -1.649 252 HD1 HIS 34 1HD HIS 34 -16.474 -2.016 -3.694 253 HD2 HIS 34 2HD HIS 34 -13.120 0.276 -4.567 254 HE1 HIS 34 1HE HIS 34 -16.753 -1.300 -6.088 255 HE2 HIS 34 2HE HIS 34 -14.676 0.025 -6.616 256 HA PRO 35 HA PRO 35 -11.325 -3.538 -5.651 257 1HB PRO 35 2HB PRO 35 -8.675 -3.970 -4.373 258 2HB PRO 35 1HB PRO 35 -9.062 -3.514 -6.032 259 1HG PRO 35 2HG PRO 35 -8.120 -1.723 -4.305 260 2HG PRO 35 1HG PRO 35 -9.362 -1.288 -5.495 261 1HD PRO 35 2HD PRO 35 -9.628 -1.777 -2.568 262 2HD PRO 35 1HD PRO 35 -10.495 -0.644 -3.619 263 H SER 36 H SER 36 -9.735 -5.713 -5.730 264 HA SER 36 HA SER 36 -11.035 -7.550 -3.840 265 1HB SER 36 2HB SER 36 -11.673 -8.175 -6.023 266 2HB SER 36 1HB SER 36 -10.056 -7.894 -6.668 267 HG SER 36 HG SER 36 -9.371 -9.767 -5.818 268 H ASP 37 H ASP 37 -8.085 -7.756 -5.831 269 HA ASP 37 HA ASP 37 -6.563 -8.338 -3.383 270 1HB ASP 37 2HB ASP 37 -7.093 -10.449 -4.550 271 2HB ASP 37 1HB ASP 37 -6.315 -9.830 -6.004 272 H ILE 38 H ILE 38 -5.081 -6.814 -3.154 273 HA ILE 38 HA ILE 38 -3.614 -5.897 -5.539 274 HB ILE 38 HB ILE 38 -4.848 -4.284 -3.347 275 1HG1 ILE 38 2HG1 ILE 38 -5.187 -2.733 -5.333 276 2HG1 ILE 38 1HG1 ILE 38 -4.542 -4.028 -6.337 277 1HG2 ILE 38 1HG2 ILE 38 -2.243 -3.672 -4.691 278 2HG2 ILE 38 2HG2 ILE 38 -2.687 -3.512 -2.992 279 3HG2 ILE 38 3HG2 ILE 38 -3.321 -2.373 -4.179 280 1HD1 ILE 38 1HD1 ILE 38 -7.110 -3.736 -5.994 281 2HD1 ILE 38 2HD1 ILE 38 -6.804 -4.627 -4.504 282 3HD1 ILE 38 3HD1 ILE 38 -6.389 -5.342 -6.062 283 H GLU 39 H GLU 39 -1.429 -5.725 -5.361 284 HA GLU 39 HA GLU 39 -0.167 -5.995 -2.747 285 1HB GLU 39 2HB GLU 39 1.240 -7.858 -3.453 286 2HB GLU 39 1HB GLU 39 -0.459 -8.305 -3.526 287 1HG GLU 39 2HG GLU 39 -0.461 -8.492 -5.784 288 2HG GLU 39 1HG GLU 39 0.763 -7.242 -6.001 289 H VAL 40 H VAL 40 2.114 -5.484 -2.771 290 HA VAL 40 HA VAL 40 3.034 -4.108 -5.200 291 HB VAL 40 HB VAL 40 3.366 -2.959 -2.428 292 1HG1 VAL 40 1HG1 VAL 40 4.639 -1.354 -3.342 293 2HG1 VAL 40 2HG1 VAL 40 3.633 -1.239 -4.786 294 3HG1 VAL 40 3HG1 VAL 40 4.857 -2.503 -4.662 295 1HG2 VAL 40 1HG2 VAL 40 1.187 -2.692 -4.393 296 2HG2 VAL 40 2HG2 VAL 40 1.787 -1.183 -3.703 297 3HG2 VAL 40 3HG2 VAL 40 1.178 -2.456 -2.645 298 H ASP 41 H ASP 41 5.040 -4.659 -5.768 299 HA ASP 41 HA ASP 41 6.787 -5.862 -3.721 300 1HB ASP 41 2HB ASP 41 6.304 -6.663 -6.581 301 2HB ASP 41 1HB ASP 41 7.784 -7.119 -5.744 302 H LEU 42 H LEU 42 8.110 -4.182 -3.244 303 HA LEU 42 HA LEU 42 9.343 -2.686 -5.439 304 1HB LEU 42 2HB LEU 42 9.597 -2.172 -2.477 305 2HB LEU 42 1HB LEU 42 10.064 -1.096 -3.779 306 HG LEU 42 HG LEU 42 8.055 -0.251 -2.815 307 1HD1 LEU 42 1HD1 LEU 42 6.408 -0.656 -4.777 308 2HD1 LEU 42 2HD1 LEU 42 7.761 -1.528 -5.496 309 3HD1 LEU 42 3HD1 LEU 42 7.935 0.175 -5.074 310 1HD2 LEU 42 1HD2 LEU 42 7.468 -2.720 -2.030 311 2HD2 LEU 42 2HD2 LEU 42 6.431 -2.643 -3.455 312 3HD2 LEU 42 3HD2 LEU 42 6.247 -1.456 -2.163 313 H LEU 43 H LEU 43 11.102 -3.666 -6.245 314 HA LEU 43 HA LEU 43 13.473 -3.904 -4.812 315 1HB LEU 43 2HB LEU 43 13.754 -6.308 -4.584 316 2HB LEU 43 1HB LEU 43 12.398 -5.747 -3.628 317 HG LEU 43 HG LEU 43 12.132 -7.075 -6.325 318 1HD1 LEU 43 1HD1 LEU 43 13.005 -8.722 -4.877 319 2HD1 LEU 43 2HD1 LEU 43 11.264 -8.993 -4.942 320 3HD1 LEU 43 3HD1 LEU 43 11.980 -8.195 -3.542 321 1HD2 LEU 43 1HD2 LEU 43 10.208 -5.796 -5.994 322 2HD2 LEU 43 2HD2 LEU 43 10.182 -6.117 -4.260 323 3HD2 LEU 43 3HD2 LEU 43 9.761 -7.395 -5.399 324 H LYS 44 H LYS 44 11.605 -5.495 -7.378 325 HA LYS 44 HA LYS 44 13.585 -4.711 -9.330 326 1HB LYS 44 2HB LYS 44 13.508 -7.400 -8.234 327 2HB LYS 44 1HB LYS 44 13.247 -7.404 -9.973 328 1HG LYS 44 2HG LYS 44 15.516 -7.560 -9.906 329 2HG LYS 44 1HG LYS 44 15.336 -5.805 -9.956 330 1HD LYS 44 2HD LYS 44 16.228 -5.559 -7.918 331 2HD LYS 44 1HD LYS 44 15.250 -6.864 -7.246 332 1HE LYS 44 2HE LYS 44 17.242 -7.899 -7.040 333 2HE LYS 44 1HE LYS 44 16.990 -8.282 -8.742 334 1HZ LYS 44 1HZ LYS 44 18.385 -6.518 -9.397 335 2HZ LYS 44 2HZ LYS 44 19.213 -7.317 -8.157 336 3HZ LYS 44 3HZ LYS 44 18.426 -5.852 -7.842 337 1H SER 45 1HT SER 45 14.776 2.806 7.469 338 2H SER 45 2HT SER 45 15.232 4.312 8.151 339 3H SER 45 3HT SER 45 16.398 3.345 7.346 340 HA SER 45 HA SER 45 15.822 5.071 5.915 341 1HB SER 45 2HB SER 45 15.264 3.779 4.030 342 2HB SER 45 1HB SER 45 15.944 2.596 5.147 343 HG SER 45 HG SER 45 13.953 1.815 5.558 344 H ASN 46 H ASN 46 14.311 6.424 4.930 345 HA ASN 46 HA ASN 46 12.062 7.125 6.421 346 1HB ASN 46 2HB ASN 46 13.366 8.029 4.024 347 2HB ASN 46 1HB ASN 46 11.623 8.014 3.768 348 1HD2 ASN 46 1HD2 ASN 46 12.995 10.363 3.747 349 2HD2 ASN 46 2HD2 ASN 46 12.593 11.295 5.145 350 H PHE 47 H PHE 47 10.562 5.565 6.804 351 HA PHE 47 HA PHE 47 9.396 4.173 4.498 352 1HB PHE 47 2HB PHE 47 10.161 2.705 6.285 353 2HB PHE 47 1HB PHE 47 9.188 3.585 7.459 354 HD1 PHE 47 1HD PHE 47 7.289 2.504 8.133 355 HD2 PHE 47 2HD PHE 47 8.644 1.970 4.135 356 HE1 PHE 47 1HE PHE 47 5.394 0.997 7.696 357 HE2 PHE 47 2HE PHE 47 6.751 0.462 3.693 358 HZ PHE 47 HZ PHE 47 5.124 -0.025 5.473 359 H LEU 48 H LEU 48 7.665 5.099 3.656 360 HA LEU 48 HA LEU 48 5.721 6.364 5.470 361 1HB LEU 48 2HB LEU 48 7.161 7.595 3.450 362 2HB LEU 48 1HB LEU 48 5.609 7.274 2.702 363 HG LEU 48 HG LEU 48 5.468 9.457 3.587 364 1HD1 LEU 48 1HD1 LEU 48 3.631 9.324 5.041 365 2HD1 LEU 48 2HD1 LEU 48 4.178 7.796 5.730 366 3HD1 LEU 48 3HD1 LEU 48 3.566 7.849 4.077 367 1HD2 LEU 48 1HD2 LEU 48 5.891 9.822 6.075 368 2HD2 LEU 48 2HD2 LEU 48 7.302 9.620 5.037 369 3HD2 LEU 48 3HD2 LEU 48 6.742 8.278 6.037 370 H ASN 49 H ASN 49 4.557 4.404 5.646 371 HA ASN 49 HA ASN 49 3.005 3.730 3.233 372 1HB ASN 49 2HB ASN 49 4.706 1.965 3.933 373 2HB ASN 49 1HB ASN 49 3.721 1.728 5.372 374 1HD2 ASN 49 1HD2 ASN 49 3.902 1.352 1.925 375 2HD2 ASN 49 2HD2 ASN 49 2.551 0.288 1.766 376 H CYS 50 H CYS 50 1.423 5.239 3.976 377 HA CYS 50 HA CYS 50 -0.237 4.139 6.146 378 1HB CYS 50 2HB CYS 50 -0.757 6.638 6.653 379 2HB CYS 50 1HB CYS 50 0.727 5.928 7.274 380 HG CYS 50 HG CYS 50 0.782 7.677 4.705 381 H TYR 51 H TYR 51 -2.321 5.833 6.142 382 HA TYR 51 HA TYR 51 -3.271 6.531 3.565 383 1HB TYR 51 2HB TYR 51 -4.742 4.825 3.040 384 2HB TYR 51 1HB TYR 51 -3.385 3.925 3.699 385 HD1 TYR 51 1HD TYR 51 -3.598 2.705 5.767 386 HD2 TYR 51 2HD TYR 51 -6.825 5.060 4.306 387 HE1 TYR 51 1HE TYR 51 -5.115 1.604 7.360 388 HE2 TYR 51 2HE TYR 51 -8.350 3.969 5.895 389 HH TYR 51 HH TYR 51 -8.307 2.749 7.948 390 H VAL 52 H VAL 52 -5.796 6.862 3.718 391 HA VAL 52 HA VAL 52 -6.482 7.787 6.418 392 HB VAL 52 HB VAL 52 -7.261 9.922 5.630 393 1HG1 VAL 52 1HG1 VAL 52 -4.651 9.241 5.894 394 2HG1 VAL 52 2HG1 VAL 52 -5.231 10.891 5.657 395 3HG1 VAL 52 3HG1 VAL 52 -4.652 9.952 4.280 396 1HG2 VAL 52 1HG2 VAL 52 -6.623 8.802 2.926 397 2HG2 VAL 52 2HG2 VAL 52 -6.625 10.545 3.197 398 3HG2 VAL 52 3HG2 VAL 52 -8.091 9.606 3.484 399 H SER 53 H SER 53 -8.641 7.862 6.925 400 HA SER 53 HA SER 53 -10.948 7.753 6.519 401 1HB SER 53 2HB SER 53 -10.441 7.868 3.996 402 2HB SER 53 1HB SER 53 -10.470 6.106 4.043 403 HG SER 53 HG SER 53 -12.547 6.325 3.869 404 H GLY 54 H GLY 54 -12.424 5.591 5.922 405 1HA GLY 54 2HA GLY 54 -11.587 3.742 7.979 406 2HA GLY 54 1HA GLY 54 -13.121 3.730 7.126 407 H PHE 55 H PHE 55 -11.350 3.868 4.564 408 HA PHE 55 HA PHE 55 -10.529 2.397 3.032 409 1HB PHE 55 2HB PHE 55 -8.846 2.022 4.897 410 2HB PHE 55 1HB PHE 55 -9.793 0.610 5.352 411 HD1 PHE 55 1HD PHE 55 -7.629 2.076 2.775 412 HD2 PHE 55 2HD PHE 55 -9.726 -1.396 4.062 413 HE1 PHE 55 1HE PHE 55 -6.389 0.724 1.133 414 HE2 PHE 55 2HE PHE 55 -8.491 -2.755 2.424 415 HZ PHE 55 HZ PHE 55 -6.818 -1.695 0.958 416 H HIS 56 H HIS 56 -11.819 1.249 1.757 417 HA HIS 56 HA HIS 56 -14.041 -0.221 2.824 418 1HB HIS 56 2HB HIS 56 -13.051 0.495 0.105 419 2HB HIS 56 1HB HIS 56 -14.152 -0.872 0.246 420 HD1 HIS 56 1HD HIS 56 -14.119 2.650 1.713 421 HD2 HIS 56 2HD HIS 56 -16.670 -0.021 -0.193 422 HE1 HIS 56 1HE HIS 56 -16.327 3.840 1.532 423 HE2 HIS 56 2HE HIS 56 -17.874 2.177 0.443 424 HA PRO 57 HA PRO 57 -12.572 -4.354 3.042 425 1HB PRO 57 2HB PRO 57 -14.356 -5.722 1.422 426 2HB PRO 57 1HB PRO 57 -14.650 -5.281 3.106 427 1HG PRO 57 2HG PRO 57 -15.547 -3.917 0.606 428 2HG PRO 57 1HG PRO 57 -16.428 -4.173 2.123 429 1HD PRO 57 2HD PRO 57 -15.350 -1.795 1.522 430 2HD PRO 57 1HD PRO 57 -15.354 -2.412 3.188 431 H SER 58 H SER 58 -10.660 -4.706 2.089 432 HA SER 58 HA SER 58 -10.557 -5.808 -0.545 433 1HB SER 58 2HB SER 58 -10.540 -3.601 -1.377 434 2HB SER 58 1HB SER 58 -9.514 -3.024 -0.064 435 HG SER 58 HG SER 58 -7.775 -3.853 -1.028 436 H ASP 59 H ASP 59 -8.385 -6.562 -1.111 437 HA ASP 59 HA ASP 59 -6.851 -7.155 1.313 438 1HB ASP 59 2HB ASP 59 -7.678 -9.056 -0.064 439 2HB ASP 59 1HB ASP 59 -6.690 -8.478 -1.402 440 H ILE 60 H ILE 60 -4.935 -6.254 1.667 441 HA ILE 60 HA ILE 60 -3.474 -5.113 -0.624 442 HB ILE 60 HB ILE 60 -2.687 -3.295 0.825 443 1HG1 ILE 60 2HG1 ILE 60 -4.557 -3.264 2.911 444 2HG1 ILE 60 1HG1 ILE 60 -3.952 -4.917 2.868 445 1HG2 ILE 60 1HG2 ILE 60 -5.666 -3.592 0.532 446 2HG2 ILE 60 2HG2 ILE 60 -4.543 -2.790 -0.566 447 3HG2 ILE 60 3HG2 ILE 60 -4.881 -2.089 1.018 448 1HD1 ILE 60 1HD1 ILE 60 -1.706 -4.170 3.160 449 2HD1 ILE 60 2HD1 ILE 60 -2.710 -3.401 4.390 450 3HD1 ILE 60 3HD1 ILE 60 -2.189 -2.484 2.976 451 H GLU 61 H GLU 61 -1.624 -6.150 -0.903 452 HA GLU 61 HA GLU 61 -0.261 -7.277 1.451 453 1HB GLU 61 2HB GLU 61 -1.086 -8.647 -0.706 454 2HB GLU 61 1HB GLU 61 0.500 -8.152 -1.281 455 1HG GLU 61 2HG GLU 61 1.610 -9.331 0.391 456 2HG GLU 61 1HG GLU 61 0.162 -9.462 1.388 457 H VAL 62 H VAL 62 0.823 -5.331 1.957 458 HA VAL 62 HA VAL 62 2.550 -4.084 0.011 459 HB VAL 62 HB VAL 62 2.410 -3.632 2.997 460 1HG1 VAL 62 1HG1 VAL 62 3.436 -1.442 2.423 461 2HG1 VAL 62 2HG1 VAL 62 3.653 -2.022 0.771 462 3HG1 VAL 62 3HG1 VAL 62 4.487 -2.822 2.104 463 1HG2 VAL 62 1HG2 VAL 62 0.976 -2.282 0.717 464 2HG2 VAL 62 2HG2 VAL 62 1.077 -1.615 2.347 465 3HG2 VAL 62 3HG2 VAL 62 0.262 -3.155 2.072 466 H ASP 63 H ASP 63 4.520 -4.775 -0.492 467 HA ASP 63 HA ASP 63 6.195 -5.975 1.578 468 1HB ASP 63 2HB ASP 63 5.887 -7.285 -1.126 469 2HB ASP 63 1HB ASP 63 6.769 -7.896 0.269 470 H LEU 64 H LEU 64 8.036 -4.886 1.594 471 HA LEU 64 HA LEU 64 9.277 -4.160 -0.961 472 1HB LEU 64 2HB LEU 64 9.991 -2.042 0.630 473 2HB LEU 64 1HB LEU 64 8.772 -2.009 -0.628 474 HG LEU 64 HG LEU 64 8.132 -2.638 2.250 475 1HD1 LEU 64 1HD1 LEU 64 7.146 -0.185 1.941 476 2HD1 LEU 64 2HD1 LEU 64 8.548 -0.048 0.883 477 3HD1 LEU 64 3HD1 LEU 64 8.762 -0.487 2.578 478 1HD2 LEU 64 1HD2 LEU 64 6.235 -3.284 1.231 479 2HD2 LEU 64 2HD2 LEU 64 6.614 -2.412 -0.254 480 3HD2 LEU 64 3HD2 LEU 64 5.918 -1.552 1.119 481 H LEU 65 H LEU 65 11.247 -4.976 -1.039 482 HA LEU 65 HA LEU 65 13.094 -4.715 1.135 483 1HB LEU 65 2HB LEU 65 13.433 -7.009 1.658 484 2HB LEU 65 1HB LEU 65 11.714 -6.696 1.802 485 HG LEU 65 HG LEU 65 12.905 -7.902 -0.684 486 1HD1 LEU 65 1HD1 LEU 65 11.734 -9.416 1.642 487 2HD1 LEU 65 2HD1 LEU 65 13.462 -9.276 1.316 488 3HD1 LEU 65 3HD1 LEU 65 12.409 -10.085 0.156 489 1HD2 LEU 65 1HD2 LEU 65 10.560 -8.788 -0.865 490 2HD2 LEU 65 2HD2 LEU 65 10.720 -7.040 -1.033 491 3HD2 LEU 65 3HD2 LEU 65 10.134 -7.730 0.480 492 H LYS 66 H LYS 66 14.956 -6.620 0.442 493 HA LYS 66 HA LYS 66 16.707 -6.941 -0.976 494 1HB LYS 66 2HB LYS 66 14.350 -6.998 -2.835 495 2HB LYS 66 1HB LYS 66 15.985 -7.160 -3.462 496 1HG LYS 66 2HG LYS 66 15.428 -8.914 -1.199 497 2HG LYS 66 1HG LYS 66 14.395 -9.207 -2.598 498 1HD LYS 66 2HD LYS 66 16.092 -10.019 -3.835 499 2HD LYS 66 1HD LYS 66 17.237 -8.821 -3.228 500 1HE LYS 66 2HE LYS 66 17.757 -11.195 -2.610 501 2HE LYS 66 1HE LYS 66 17.630 -10.080 -1.250 502 1HZ LYS 66 1HZ LYS 66 15.185 -11.457 -2.010 503 2HZ LYS 66 2HZ LYS 66 15.792 -11.097 -0.472 504 3HZ LYS 66 3HZ LYS 66 16.396 -12.424 -1.329 505 1H SER 67 1HT SER 67 10.654 9.232 13.465 506 2H SER 67 2HT SER 67 11.329 10.489 14.420 507 3H SER 67 3HT SER 67 12.352 9.324 13.683 508 HA SER 67 HA SER 67 10.602 11.133 12.170 509 1HB SER 67 2HB SER 67 12.534 12.075 13.755 510 2HB SER 67 1HB SER 67 13.541 11.588 12.392 511 HG SER 67 HG SER 67 11.225 13.183 12.077 512 H ASN 68 H ASN 68 10.821 8.430 11.626 513 HA ASN 68 HA ASN 68 12.115 8.515 9.041 514 1HB ASN 68 2HB ASN 68 13.451 6.491 9.396 515 2HB ASN 68 1HB ASN 68 13.947 7.771 10.500 516 1HD2 ASN 68 1HD2 ASN 68 13.138 7.671 12.693 517 2HD2 ASN 68 2HD2 ASN 68 12.824 6.131 13.410 518 H PHE 69 H PHE 69 10.411 6.529 11.436 519 HA PHE 69 HA PHE 69 9.182 4.974 9.299 520 1HB PHE 69 2HB PHE 69 9.984 3.691 11.176 521 2HB PHE 69 1HB PHE 69 9.084 4.697 12.307 522 HD1 PHE 69 1HD PHE 69 6.581 4.621 12.270 523 HD2 PHE 69 2HD PHE 69 8.988 1.832 10.142 524 HE1 PHE 69 1HE PHE 69 4.658 3.096 12.105 525 HE2 PHE 69 2HE PHE 69 7.069 0.301 9.971 526 HZ PHE 69 HZ PHE 69 4.900 0.933 10.954 527 H LEU 70 H LEU 70 7.030 4.944 8.842 528 HA LEU 70 HA LEU 70 5.101 6.415 10.387 529 1HB LEU 70 2HB LEU 70 6.049 7.423 7.713 530 2HB LEU 70 1HB LEU 70 4.460 7.815 8.339 531 HG LEU 70 HG LEU 70 7.111 8.553 9.578 532 1HD1 LEU 70 1HD1 LEU 70 6.778 10.049 7.846 533 2HD1 LEU 70 2HD1 LEU 70 6.040 10.877 9.217 534 3HD1 LEU 70 3HD1 LEU 70 5.026 10.042 8.040 535 1HD2 LEU 70 1HD2 LEU 70 5.125 9.961 10.876 536 2HD2 LEU 70 2HD2 LEU 70 6.014 8.582 11.520 537 3HD2 LEU 70 3HD2 LEU 70 4.454 8.336 10.735 538 H ASN 71 H ASN 71 3.323 5.176 10.308 539 HA ASN 71 HA ASN 71 2.617 3.895 7.769 540 1HB ASN 71 2HB ASN 71 3.897 2.408 9.534 541 2HB ASN 71 1HB ASN 71 2.306 2.310 10.282 542 1HD2 ASN 71 1HD2 ASN 71 0.811 0.986 9.438 543 2HD2 ASN 71 2HD2 ASN 71 1.043 0.022 8.023 544 H CYS 72 H CYS 72 0.426 2.754 7.992 545 HA CYS 72 HA CYS 72 -1.824 3.231 7.953 546 1HB CYS 72 2HB CYS 72 -2.577 3.400 10.540 547 2HB CYS 72 1HB CYS 72 -2.159 1.890 9.744 548 HG CYS 72 HG CYS 72 -0.330 3.387 11.759 549 H TYR 73 H TYR 73 -1.050 5.111 10.839 550 HA TYR 73 HA TYR 73 -1.223 7.314 11.317 551 1HB TYR 73 2HB TYR 73 -0.781 7.288 8.479 552 2HB TYR 73 1HB TYR 73 -1.886 8.592 8.899 553 HD1 TYR 73 1HD TYR 73 1.476 7.766 8.514 554 HD2 TYR 73 2HD TYR 73 -1.151 9.930 11.065 555 HE1 TYR 73 1HE TYR 73 3.363 9.146 9.275 556 HE2 TYR 73 2HE TYR 73 0.728 11.316 11.836 557 HH TYR 73 HH TYR 73 3.557 10.737 11.855 558 H VAL 74 H VAL 74 -3.465 7.601 8.589 559 HA VAL 74 HA VAL 74 -5.559 8.180 10.558 560 HB VAL 74 HB VAL 74 -5.540 8.820 7.607 561 1HG1 VAL 74 1HG1 VAL 74 -7.677 8.698 9.332 562 2HG1 VAL 74 2HG1 VAL 74 -7.610 9.634 7.839 563 3HG1 VAL 74 3HG1 VAL 74 -7.230 10.403 9.379 564 1HG2 VAL 74 1HG2 VAL 74 -5.170 11.173 8.429 565 2HG2 VAL 74 2HG2 VAL 74 -3.792 10.085 8.582 566 3HG2 VAL 74 3HG2 VAL 74 -4.769 10.475 9.997 567 H SER 75 H SER 75 -5.148 5.560 10.423 568 HA SER 75 HA SER 75 -6.984 4.387 8.488 569 1HB SER 75 2HB SER 75 -5.452 2.905 10.621 570 2HB SER 75 1HB SER 75 -6.077 2.282 9.097 571 HG SER 75 HG SER 75 -3.920 2.611 8.795 572 H GLY 76 H GLY 76 -7.830 2.182 10.069 573 1HA GLY 76 2HA GLY 76 -8.939 2.395 12.465 574 2HA GLY 76 1HA GLY 76 -9.953 3.510 11.566 575 H PHE 77 H PHE 77 -9.174 1.281 9.323 576 HA PHE 77 HA PHE 77 -11.654 0.179 9.010 577 1HB PHE 77 2HB PHE 77 -10.317 -1.811 7.944 578 2HB PHE 77 1HB PHE 77 -10.265 -0.215 7.207 579 HD1 PHE 77 1HD PHE 77 -8.201 -0.345 6.102 580 HD2 PHE 77 2HD PHE 77 -8.433 -1.259 10.252 581 HE1 PHE 77 1HE PHE 77 -5.745 -0.360 6.232 582 HE2 PHE 77 2HE PHE 77 -5.979 -1.274 10.390 583 HZ PHE 77 HZ PHE 77 -4.631 -0.824 8.379 584 H HIS 78 H HIS 78 -12.171 -2.246 9.151 585 HA HIS 78 HA HIS 78 -11.460 -3.189 11.847 586 1HB HIS 78 2HB HIS 78 -14.046 -2.833 10.556 587 2HB HIS 78 1HB HIS 78 -13.837 -4.466 11.179 588 HD1 HIS 78 1HD HIS 78 -15.943 -3.021 12.583 589 HD2 HIS 78 2HD HIS 78 -11.958 -2.555 13.662 590 HE1 HIS 78 1HE HIS 78 -15.983 -2.173 14.950 591 HE2 HIS 78 2HE HIS 78 -13.561 -1.820 15.553 592 HA PRO 79 HA PRO 79 -11.491 -7.164 9.311 593 1HB PRO 79 2HB PRO 79 -12.799 -7.431 7.012 594 2HB PRO 79 1HB PRO 79 -13.681 -7.339 8.539 595 1HG PRO 79 2HG PRO 79 -13.238 -5.210 6.483 596 2HG PRO 79 1HG PRO 79 -14.706 -5.598 7.395 597 1HD PRO 79 2HD PRO 79 -12.907 -3.581 8.038 598 2HD PRO 79 1HD PRO 79 -14.076 -4.307 9.158 599 H SER 80 H SER 80 -11.765 -6.388 6.003 600 HA SER 80 HA SER 80 -10.234 -6.290 4.330 601 1HB SER 80 2HB SER 80 -10.071 -3.983 4.910 602 2HB SER 80 1HB SER 80 -9.065 -4.336 6.313 603 HG SER 80 HG SER 80 -8.381 -4.525 3.573 604 H ASP 81 H ASP 81 -7.748 -6.409 3.848 605 HA ASP 81 HA ASP 81 -6.578 -8.432 5.646 606 1HB ASP 81 2HB ASP 81 -6.099 -8.339 2.670 607 2HB ASP 81 1HB ASP 81 -5.740 -9.650 3.790 608 H ILE 82 H ILE 82 -5.635 -6.462 6.637 609 HA ILE 82 HA ILE 82 -3.692 -4.949 5.186 610 HB ILE 82 HB ILE 82 -4.912 -4.048 7.137 611 1HG1 ILE 82 2HG1 ILE 82 -2.680 -3.155 6.358 612 2HG1 ILE 82 1HG1 ILE 82 -3.104 -2.776 8.022 613 1HG2 ILE 82 1HG2 ILE 82 -3.199 -5.246 9.160 614 2HG2 ILE 82 2HG2 ILE 82 -4.257 -6.412 8.366 615 3HG2 ILE 82 3HG2 ILE 82 -4.942 -4.990 9.152 616 1HD1 ILE 82 1HD1 ILE 82 -0.904 -3.365 8.229 617 2HD1 ILE 82 2HD1 ILE 82 -0.997 -4.593 6.967 618 3HD1 ILE 82 3HD1 ILE 82 -1.694 -4.907 8.556 619 H GLU 83 H GLU 83 -1.902 -5.889 4.454 620 HA GLU 83 HA GLU 83 -0.303 -7.476 6.344 621 1HB GLU 83 2HB GLU 83 -1.599 -8.582 4.187 622 2HB GLU 83 1HB GLU 83 -0.001 -8.256 3.533 623 1HG GLU 83 2HG GLU 83 0.945 -9.900 4.703 624 2HG GLU 83 1HG GLU 83 0.048 -9.502 6.168 625 H VAL 84 H VAL 84 1.361 -6.155 6.763 626 HA VAL 84 HA VAL 84 2.770 -4.965 4.463 627 HB VAL 84 HB VAL 84 2.654 -3.762 7.229 628 1HG1 VAL 84 1HG1 VAL 84 3.999 -2.116 6.473 629 2HG1 VAL 84 2HG1 VAL 84 3.313 -2.152 4.848 630 3HG1 VAL 84 3HG1 VAL 84 4.511 -3.354 5.327 631 1HG2 VAL 84 1HG2 VAL 84 1.294 -2.010 5.703 632 2HG2 VAL 84 2HG2 VAL 84 0.523 -3.277 6.658 633 3HG2 VAL 84 3HG2 VAL 84 0.813 -3.525 4.936 634 H ASP 85 H ASP 85 4.869 -5.419 4.276 635 HA ASP 85 HA ASP 85 6.342 -6.400 6.616 636 1HB ASP 85 2HB ASP 85 7.444 -8.083 5.018 637 2HB ASP 85 1HB ASP 85 5.814 -8.447 5.573 638 H LEU 86 H LEU 86 7.834 -4.861 6.874 639 HA LEU 86 HA LEU 86 9.184 -3.788 4.492 640 1HB LEU 86 2HB LEU 86 9.397 -2.622 7.248 641 2HB LEU 86 1HB LEU 86 9.683 -1.843 5.706 642 HG LEU 86 HG LEU 86 7.674 -0.927 6.518 643 1HD1 LEU 86 1HD1 LEU 86 5.950 -1.761 4.941 644 2HD1 LEU 86 2HD1 LEU 86 7.022 -3.102 4.539 645 3HD1 LEU 86 3HD1 LEU 86 7.510 -1.446 4.182 646 1HD2 LEU 86 1HD2 LEU 86 6.289 -3.534 6.846 647 2HD2 LEU 86 2HD2 LEU 86 6.044 -2.005 7.690 648 3HD2 LEU 86 3HD2 LEU 86 7.421 -3.029 8.101 649 H LEU 87 H LEU 87 11.319 -4.063 4.180 650 HA LEU 87 HA LEU 87 12.836 -5.409 6.321 651 1HB LEU 87 2HB LEU 87 12.480 -6.072 3.487 652 2HB LEU 87 1HB LEU 87 14.153 -6.079 4.010 653 HG LEU 87 HG LEU 87 13.077 -8.305 4.139 654 1HD1 LEU 87 1HD1 LEU 87 14.966 -7.605 5.621 655 2HD1 LEU 87 2HD1 LEU 87 13.953 -8.893 6.275 656 3HD1 LEU 87 3HD1 LEU 87 13.773 -7.241 6.868 657 1HD2 LEU 87 1HD2 LEU 87 10.844 -7.175 4.882 658 2HD2 LEU 87 2HD2 LEU 87 11.514 -7.369 6.502 659 3HD2 LEU 87 3HD2 LEU 87 11.265 -8.781 5.475 660 H LYS 88 H LYS 88 15.350 -5.295 5.380 661 HA LYS 88 HA LYS 88 17.185 -3.969 5.143 662 1HB LYS 88 2HB LYS 88 15.368 -1.867 3.966 663 2HB LYS 88 1HB LYS 88 17.097 -2.063 3.707 664 1HG LYS 88 2HG LYS 88 16.823 -3.719 2.180 665 2HG LYS 88 1HG LYS 88 15.346 -4.323 2.932 666 1HD LYS 88 2HD LYS 88 14.008 -2.816 1.834 667 2HD LYS 88 1HD LYS 88 15.301 -1.626 1.668 668 1HE LYS 88 2HE LYS 88 15.712 -4.175 0.247 669 2HE LYS 88 1HE LYS 88 14.395 -3.170 -0.355 670 1HZ LYS 88 1HZ LYS 88 17.263 -2.715 -0.438 671 2HZ LYS 88 2HZ LYS 88 16.317 -1.354 -0.100 672 3HZ LYS 88 3HZ LYS 88 16.057 -2.232 -1.522 Start of MODEL 4 1 1H SER 1 1HT SER 1 12.251 -0.125 -2.588 2 2H SER 1 2HT SER 1 12.765 1.306 -1.795 3 3H SER 1 3HT SER 1 13.566 -0.180 -1.490 4 HA SER 1 HA SER 1 14.986 0.848 -2.894 5 1HB SER 1 2HB SER 1 14.462 -0.263 -5.186 6 2HB SER 1 1HB SER 1 14.686 -1.305 -3.781 7 HG SER 1 HG SER 1 12.371 -0.710 -5.214 8 H ASN 2 H ASN 2 13.575 3.010 -2.430 9 HA ASN 2 HA ASN 2 12.951 5.033 -3.260 10 1HB ASN 2 2HB ASN 2 13.809 4.238 -6.017 11 2HB ASN 2 1HB ASN 2 13.989 5.785 -5.197 12 1HD2 ASN 2 1HD2 ASN 2 15.092 4.769 -2.785 13 2HD2 ASN 2 2HD2 ASN 2 16.693 4.221 -3.134 14 H PHE 3 H PHE 3 11.797 5.979 -5.443 15 HA PHE 3 HA PHE 3 10.013 5.945 -6.880 16 1HB PHE 3 2HB PHE 3 9.386 3.990 -7.758 17 2HB PHE 3 1HB PHE 3 10.445 3.199 -6.607 18 HD1 PHE 3 1HD PHE 3 7.506 2.731 -8.015 19 HD2 PHE 3 2HD PHE 3 9.010 3.369 -4.084 20 HE1 PHE 3 1HE PHE 3 5.565 1.545 -7.081 21 HE2 PHE 3 2HE PHE 3 7.074 2.182 -3.147 22 HZ PHE 3 HZ PHE 3 5.348 1.268 -4.645 23 H LEU 4 H LEU 4 7.468 5.591 -6.619 24 HA LEU 4 HA LEU 4 6.568 5.849 -3.889 25 1HB LEU 4 2HB LEU 4 5.448 8.111 -4.566 26 2HB LEU 4 1HB LEU 4 7.091 8.079 -3.954 27 HG LEU 4 HG LEU 4 6.800 7.890 -6.893 28 1HD1 LEU 4 1HD1 LEU 4 6.603 10.619 -5.730 29 2HD1 LEU 4 2HD1 LEU 4 5.131 9.658 -5.872 30 3HD1 LEU 4 3HD1 LEU 4 6.089 10.018 -7.308 31 1HD2 LEU 4 1HD2 LEU 4 8.881 8.190 -5.198 32 2HD2 LEU 4 2HD2 LEU 4 8.546 9.874 -5.601 33 3HD2 LEU 4 3HD2 LEU 4 8.895 8.713 -6.883 34 H ASN 5 H ASN 5 4.587 5.032 -3.711 35 HA ASN 5 HA ASN 5 3.024 4.641 -6.168 36 1HB ASN 5 2HB ASN 5 3.651 2.598 -4.918 37 2HB ASN 5 1HB ASN 5 2.796 3.214 -3.507 38 1HD2 ASN 5 1HD2 ASN 5 2.500 0.924 -5.584 39 2HD2 ASN 5 2HD2 ASN 5 0.806 0.939 -5.923 40 H CYS 6 H CYS 6 1.567 6.203 -6.446 41 HA CYS 6 HA CYS 6 0.328 7.479 -4.140 42 1HB CYS 6 2HB CYS 6 1.208 8.529 -6.460 43 2HB CYS 6 1HB CYS 6 -0.477 8.255 -6.886 44 HG CYS 6 HG CYS 6 -1.203 10.025 -5.273 45 H TYR 7 H TYR 7 -1.617 6.969 -3.399 46 HA TYR 7 HA TYR 7 -3.590 5.774 -5.198 47 1HB TYR 7 2HB TYR 7 -2.143 4.272 -3.299 48 2HB TYR 7 1HB TYR 7 -3.755 4.485 -2.626 49 HD1 TYR 7 1HD TYR 7 -2.149 2.002 -3.888 50 HD2 TYR 7 2HD TYR 7 -5.347 4.501 -5.164 51 HE1 TYR 7 1HE TYR 7 -2.982 0.190 -5.328 52 HE2 TYR 7 2HE TYR 7 -6.189 2.697 -6.607 53 HH TYR 7 HH TYR 7 -5.480 -0.374 -6.317 54 H VAL 8 H VAL 8 -5.451 6.826 -5.020 55 HA VAL 8 HA VAL 8 -6.376 7.748 -2.418 56 HB VAL 8 HB VAL 8 -6.942 10.014 -3.393 57 1HG1 VAL 8 1HG1 VAL 8 -5.086 10.888 -2.438 58 2HG1 VAL 8 2HG1 VAL 8 -3.991 9.867 -3.371 59 3HG1 VAL 8 3HG1 VAL 8 -4.820 9.212 -1.958 60 1HG2 VAL 8 1HG2 VAL 8 -5.040 9.038 -5.512 61 2HG2 VAL 8 2HG2 VAL 8 -5.385 10.746 -5.240 62 3HG2 VAL 8 3HG2 VAL 8 -6.680 9.648 -5.721 63 H SER 9 H SER 9 -8.556 7.713 -2.226 64 HA SER 9 HA SER 9 -10.760 7.458 -2.748 65 1HB SER 9 2HB SER 9 -10.220 9.207 -4.529 66 2HB SER 9 1HB SER 9 -10.072 7.863 -5.660 67 HG SER 9 HG SER 9 -12.371 8.278 -4.060 68 H GLY 10 H GLY 10 -9.099 6.125 -5.621 69 1HA GLY 10 2HA GLY 10 -8.771 3.587 -5.361 70 2HA GLY 10 1HA GLY 10 -10.508 3.592 -5.107 71 H PHE 11 H PHE 11 -10.892 2.273 -6.897 72 HA PHE 11 HA PHE 11 -11.370 3.615 -9.324 73 1HB PHE 11 2HB PHE 11 -9.730 2.786 -10.786 74 2HB PHE 11 1HB PHE 11 -8.820 3.279 -9.364 75 HD1 PHE 11 1HD PHE 11 -9.322 0.724 -11.703 76 HD2 PHE 11 2HD PHE 11 -8.424 1.365 -7.593 77 HE1 PHE 11 1HE PHE 11 -8.338 -1.525 -11.573 78 HE2 PHE 11 2HE PHE 11 -7.437 -0.886 -7.453 79 HZ PHE 11 HZ PHE 11 -7.392 -2.335 -9.446 80 H HIS 12 H HIS 12 -11.341 1.523 -11.130 81 HA HIS 12 HA HIS 12 -13.659 0.086 -10.367 82 1HB HIS 12 2HB HIS 12 -11.833 -0.654 -12.650 83 2HB HIS 12 1HB HIS 12 -13.567 -0.920 -12.519 84 HD1 HIS 12 1HD HIS 12 -11.081 1.474 -13.737 85 HD2 HIS 12 2HD HIS 12 -15.123 1.516 -12.775 86 HE1 HIS 12 1HE HIS 12 -12.001 3.563 -14.792 87 HE2 HIS 12 2HE HIS 12 -14.431 3.609 -14.130 88 HA PRO 13 HA PRO 13 -12.080 -3.495 -8.346 89 1HB PRO 13 2HB PRO 13 -13.685 -5.460 -9.375 90 2HB PRO 13 1HB PRO 13 -14.208 -4.315 -8.135 91 1HG PRO 13 2HG PRO 13 -14.681 -4.255 -11.089 92 2HG PRO 13 1HG PRO 13 -15.806 -3.892 -9.768 93 1HD PRO 13 2HD PRO 13 -14.599 -1.945 -11.175 94 2HD PRO 13 1HD PRO 13 -14.937 -1.772 -9.440 95 H SER 14 H SER 14 -10.170 -4.367 -8.800 96 HA SER 14 HA SER 14 -9.820 -6.288 -10.856 97 1HB SER 14 2HB SER 14 -8.507 -5.180 -12.426 98 2HB SER 14 1HB SER 14 -9.703 -3.947 -12.026 99 HG SER 14 HG SER 14 -7.433 -3.268 -12.019 100 H ASP 15 H ASP 15 -7.073 -6.202 -11.182 101 HA ASP 15 HA ASP 15 -6.099 -6.449 -8.412 102 1HB ASP 15 2HB ASP 15 -4.660 -8.297 -9.198 103 2HB ASP 15 1HB ASP 15 -6.369 -8.651 -9.424 104 H ILE 16 H ILE 16 -4.932 -4.621 -8.147 105 HA ILE 16 HA ILE 16 -3.189 -3.669 -10.269 106 HB ILE 16 HB ILE 16 -4.496 -2.058 -8.916 107 1HG1 ILE 16 2HG1 ILE 16 -1.503 -1.774 -8.577 108 2HG1 ILE 16 1HG1 ILE 16 -2.392 -1.400 -10.051 109 1HG2 ILE 16 1HG2 ILE 16 -3.942 -1.595 -6.629 110 2HG2 ILE 16 2HG2 ILE 16 -2.643 -2.787 -6.656 111 3HG2 ILE 16 3HG2 ILE 16 -4.324 -3.310 -6.777 112 1HD1 ILE 16 1HD1 ILE 16 -3.481 0.428 -9.041 113 2HD1 ILE 16 2HD1 ILE 16 -1.781 0.552 -8.588 114 3HD1 ILE 16 3HD1 ILE 16 -2.962 -0.058 -7.427 115 H GLU 17 H GLU 17 -0.974 -3.690 -10.237 116 HA GLU 17 HA GLU 17 0.394 -4.794 -7.905 117 1HB GLU 17 2HB GLU 17 -0.119 -6.743 -9.287 118 2HB GLU 17 1HB GLU 17 0.621 -5.970 -10.682 119 1HG GLU 17 2HG GLU 17 2.781 -6.135 -9.749 120 2HG GLU 17 1HG GLU 17 2.143 -6.562 -8.163 121 H VAL 18 H VAL 18 2.765 -4.619 -8.083 122 HA VAL 18 HA VAL 18 3.817 -2.825 -10.084 123 HB VAL 18 HB VAL 18 2.716 -1.601 -7.906 124 1HG1 VAL 18 1HG1 VAL 18 4.453 -0.840 -6.428 125 2HG1 VAL 18 2HG1 VAL 18 5.671 -1.745 -7.327 126 3HG1 VAL 18 3HG1 VAL 18 4.426 -2.603 -6.418 127 1HG2 VAL 18 1HG2 VAL 18 3.798 -0.794 -10.169 128 2HG2 VAL 18 2HG2 VAL 18 5.127 -0.344 -9.101 129 3HG2 VAL 18 3HG2 VAL 18 3.517 0.322 -8.832 130 H ASP 19 H ASP 19 5.907 -3.259 -10.464 131 HA ASP 19 HA ASP 19 7.431 -4.689 -8.393 132 1HB ASP 19 2HB ASP 19 8.486 -5.995 -10.296 133 2HB ASP 19 1HB ASP 19 6.812 -6.398 -9.924 134 H LEU 20 H LEU 20 9.242 -3.670 -7.886 135 HA LEU 20 HA LEU 20 10.369 -1.755 -9.811 136 1HB LEU 20 2HB LEU 20 10.371 -1.920 -6.826 137 2HB LEU 20 1HB LEU 20 11.661 -1.055 -7.639 138 HG LEU 20 HG LEU 20 9.795 0.398 -6.864 139 1HD1 LEU 20 1HD1 LEU 20 11.282 1.053 -8.711 140 2HD1 LEU 20 2HD1 LEU 20 9.654 1.707 -8.893 141 3HD1 LEU 20 3HD1 LEU 20 10.158 0.319 -9.855 142 1HD2 LEU 20 1HD2 LEU 20 8.093 -0.476 -9.115 143 2HD2 LEU 20 2HD2 LEU 20 7.648 0.157 -7.530 144 3HD2 LEU 20 3HD2 LEU 20 8.133 -1.529 -7.702 145 H LEU 21 H LEU 21 12.351 -2.037 -10.643 146 HA LEU 21 HA LEU 21 14.141 -4.009 -9.411 147 1HB LEU 21 2HB LEU 21 12.972 -5.166 -11.204 148 2HB LEU 21 1HB LEU 21 13.396 -3.894 -12.333 149 HG LEU 21 HG LEU 21 15.862 -4.675 -11.440 150 1HD1 LEU 21 1HD1 LEU 21 14.432 -7.259 -11.891 151 2HD1 LEU 21 2HD1 LEU 21 14.535 -6.571 -10.270 152 3HD1 LEU 21 3HD1 LEU 21 16.009 -6.962 -11.157 153 1HD2 LEU 21 1HD2 LEU 21 15.749 -4.422 -13.693 154 2HD2 LEU 21 2HD2 LEU 21 14.190 -5.237 -13.819 155 3HD2 LEU 21 3HD2 LEU 21 15.666 -6.182 -13.626 156 H LYS 22 H LYS 22 13.974 -1.768 -12.183 157 HA LYS 22 HA LYS 22 16.633 -0.764 -11.403 158 1HB LYS 22 2HB LYS 22 16.980 -0.188 -13.765 159 2HB LYS 22 1HB LYS 22 16.683 -1.909 -13.558 160 1HG LYS 22 2HG LYS 22 14.168 -0.971 -14.001 161 2HG LYS 22 1HG LYS 22 15.139 0.108 -15.005 162 1HD LYS 22 2HD LYS 22 15.276 -2.906 -15.074 163 2HD LYS 22 1HD LYS 22 14.369 -1.910 -16.213 164 1HE LYS 22 2HE LYS 22 17.331 -1.632 -15.750 165 2HE LYS 22 1HE LYS 22 16.634 -2.659 -17.003 166 1HZ LYS 22 1HZ LYS 22 15.701 0.094 -16.936 167 2HZ LYS 22 2HZ LYS 22 16.069 -0.893 -18.260 168 3HZ LYS 22 3HZ LYS 22 17.312 -0.128 -17.404 169 1H SER 23 1HT SER 23 15.656 6.827 -4.544 170 2H SER 23 2HT SER 23 17.350 6.559 -4.502 171 3H SER 23 3HT SER 23 16.735 8.152 -4.668 172 HA SER 23 HA SER 23 16.583 6.374 -2.333 173 1HB SER 23 2HB SER 23 17.659 9.182 -2.485 174 2HB SER 23 1HB SER 23 18.034 7.918 -1.314 175 HG SER 23 HG SER 23 19.684 8.313 -2.937 176 H ASN 24 H ASN 24 14.172 6.523 -2.775 177 HA ASN 24 HA ASN 24 12.991 8.305 -0.957 178 1HB ASN 24 2HB ASN 24 13.545 9.767 -3.067 179 2HB ASN 24 1HB ASN 24 12.108 8.998 -3.733 180 1HD2 ASN 24 1HD2 ASN 24 12.763 11.793 -2.847 181 2HD2 ASN 24 2HD2 ASN 24 11.469 12.221 -1.785 182 H PHE 25 H PHE 25 11.507 6.984 -0.159 183 HA PHE 25 HA PHE 25 9.876 5.399 -2.032 184 1HB PHE 25 2HB PHE 25 11.277 3.957 -0.652 185 2HB PHE 25 1HB PHE 25 10.679 4.736 0.809 186 HD1 PHE 25 1HD PHE 25 8.453 4.282 1.641 187 HD2 PHE 25 2HD PHE 25 9.919 2.372 -1.867 188 HE1 PHE 25 1HE PHE 25 6.619 2.649 1.770 189 HE2 PHE 25 2HE PHE 25 8.086 0.734 -1.745 190 HZ PHE 25 HZ PHE 25 6.432 0.872 0.074 191 H LEU 26 H LEU 26 7.814 5.988 -2.139 192 HA LEU 26 HA LEU 26 6.531 7.097 0.260 193 1HB LEU 26 2HB LEU 26 7.280 8.708 -1.756 194 2HB LEU 26 1HB LEU 26 5.709 8.214 -2.357 195 HG LEU 26 HG LEU 26 5.616 9.043 0.437 196 1HD1 LEU 26 1HD1 LEU 26 5.940 11.422 0.030 197 2HD1 LEU 26 2HD1 LEU 26 6.440 11.080 -1.626 198 3HD1 LEU 26 3HD1 LEU 26 7.426 10.522 -0.274 199 1HD2 LEU 26 1HD2 LEU 26 3.571 9.779 -0.160 200 2HD2 LEU 26 2HD2 LEU 26 3.845 8.763 -1.575 201 3HD2 LEU 26 3HD2 LEU 26 4.150 10.498 -1.663 202 H ASN 27 H ASN 27 5.280 5.346 0.713 203 HA ASN 27 HA ASN 27 3.511 4.347 -1.418 204 1HB ASN 27 2HB ASN 27 4.943 3.054 0.767 205 2HB ASN 27 1HB ASN 27 3.233 2.638 0.761 206 1HD2 ASN 27 1HD2 ASN 27 5.300 3.390 -1.992 207 2HD2 ASN 27 2HD2 ASN 27 5.164 1.841 -2.746 208 H CYS 28 H CYS 28 2.047 6.114 -1.203 209 HA CYS 28 HA CYS 28 0.545 6.192 1.321 210 1HB CYS 28 2HB CYS 28 -0.354 8.363 0.428 211 2HB CYS 28 1HB CYS 28 1.381 8.357 0.727 212 HG CYS 28 HG CYS 28 1.204 7.758 -2.094 213 H TYR 29 H TYR 29 -1.536 5.594 1.415 214 HA TYR 29 HA TYR 29 -3.140 5.422 -0.989 215 1HB TYR 29 2HB TYR 29 -3.059 3.205 -1.286 216 2HB TYR 29 1HB TYR 29 -1.768 3.145 -0.098 217 HD1 TYR 29 1HD TYR 29 -5.461 2.928 -0.468 218 HD2 TYR 29 2HD TYR 29 -2.071 2.014 1.935 219 HE1 TYR 29 1HE TYR 29 -6.873 1.525 0.979 220 HE2 TYR 29 2HE TYR 29 -3.472 0.609 3.388 221 HH TYR 29 HH TYR 29 -5.614 -0.652 3.218 222 H VAL 30 H VAL 30 -4.948 6.421 -0.458 223 HA VAL 30 HA VAL 30 -6.075 5.974 2.228 224 HB VAL 30 HB VAL 30 -7.019 8.238 2.148 225 1HG1 VAL 30 1HG1 VAL 30 -4.133 8.677 1.588 226 2HG1 VAL 30 2HG1 VAL 30 -4.572 7.598 2.911 227 3HG1 VAL 30 3HG1 VAL 30 -5.131 9.270 2.914 228 1HG2 VAL 30 1HG2 VAL 30 -5.799 9.728 0.328 229 2HG2 VAL 30 2HG2 VAL 30 -7.324 8.908 -0.013 230 3HG2 VAL 30 3HG2 VAL 30 -5.803 8.206 -0.563 231 H SER 31 H SER 31 -8.114 5.263 2.325 232 HA SER 31 HA SER 31 -10.190 4.574 1.703 233 1HB SER 31 2HB SER 31 -9.916 6.605 -0.528 234 2HB SER 31 1HB SER 31 -11.417 5.875 0.042 235 HG SER 31 HG SER 31 -11.468 7.277 1.599 236 H GLY 32 H GLY 32 -9.960 2.506 1.081 237 1HA GLY 32 2HA GLY 32 -8.529 1.578 -1.134 238 2HA GLY 32 1HA GLY 32 -9.781 0.679 -0.292 239 H PHE 33 H PHE 33 -11.439 0.077 -1.502 240 HA PHE 33 HA PHE 33 -12.922 1.727 -3.175 241 1HB PHE 33 2HB PHE 33 -12.148 0.375 -5.363 242 2HB PHE 33 1HB PHE 33 -11.452 1.920 -4.902 243 HD1 PHE 33 1HD PHE 33 -9.334 1.703 -5.887 244 HD2 PHE 33 2HD PHE 33 -10.753 -1.328 -3.260 245 HE1 PHE 33 1HE PHE 33 -7.095 0.694 -5.849 246 HE2 PHE 33 2HE PHE 33 -8.512 -2.341 -3.220 247 HZ PHE 33 HZ PHE 33 -6.680 -1.331 -4.514 248 H HIS 34 H HIS 34 -12.185 -1.348 -4.608 249 HA HIS 34 HA HIS 34 -14.369 -2.639 -3.156 250 1HB HIS 34 2HB HIS 34 -14.560 -1.648 -5.818 251 2HB HIS 34 1HB HIS 34 -14.534 -3.406 -5.909 252 HD1 HIS 34 1HD HIS 34 -17.091 -2.293 -6.765 253 HD2 HIS 34 2HD HIS 34 -16.285 -2.936 -2.740 254 HE1 HIS 34 1HE HIS 34 -19.337 -2.429 -5.642 255 HE2 HIS 34 2HE HIS 34 -18.824 -2.941 -3.230 256 HA PRO 35 HA PRO 35 -12.336 -6.570 -3.248 257 1HB PRO 35 2HB PRO 35 -13.844 -7.379 -5.709 258 2HB PRO 35 1HB PRO 35 -13.549 -8.291 -4.222 259 1HG PRO 35 2HG PRO 35 -15.902 -7.136 -4.630 260 2HG PRO 35 1HG PRO 35 -15.152 -7.108 -3.023 261 1HD PRO 35 2HD PRO 35 -15.421 -4.928 -5.027 262 2HD PRO 35 1HD PRO 35 -15.400 -4.838 -3.255 263 H SER 36 H SER 36 -10.358 -5.530 -3.850 264 HA SER 36 HA SER 36 -9.434 -6.315 -6.522 265 1HB SER 36 2HB SER 36 -9.326 -3.589 -5.287 266 2HB SER 36 1HB SER 36 -7.998 -4.104 -6.326 267 HG SER 36 HG SER 36 -9.970 -2.997 -7.271 268 H ASP 37 H ASP 37 -7.076 -6.522 -6.656 269 HA ASP 37 HA ASP 37 -5.920 -7.193 -4.030 270 1HB ASP 37 2HB ASP 37 -5.385 -8.427 -6.738 271 2HB ASP 37 1HB ASP 37 -4.499 -8.824 -5.269 272 H ILE 38 H ILE 38 -4.525 -5.694 -3.404 273 HA ILE 38 HA ILE 38 -2.922 -4.283 -5.411 274 HB ILE 38 HB ILE 38 -3.126 -3.656 -2.467 275 1HG1 ILE 38 2HG1 ILE 38 -4.634 -2.326 -4.723 276 2HG1 ILE 38 1HG1 ILE 38 -5.336 -3.556 -3.676 277 1HG2 ILE 38 1HG2 ILE 38 -2.341 -1.834 -4.723 278 2HG2 ILE 38 2HG2 ILE 38 -1.171 -2.808 -3.832 279 3HG2 ILE 38 3HG2 ILE 38 -2.125 -1.587 -2.990 280 1HD1 ILE 38 1HD1 ILE 38 -6.052 -1.684 -2.614 281 2HD1 ILE 38 2HD1 ILE 38 -4.647 -0.734 -3.097 282 3HD1 ILE 38 3HD1 ILE 38 -4.510 -1.909 -1.789 283 H GLU 39 H GLU 39 -1.292 -5.718 -5.883 284 HA GLU 39 HA GLU 39 0.316 -6.727 -3.650 285 1HB GLU 39 2HB GLU 39 -0.501 -8.368 -5.312 286 2HB GLU 39 1HB GLU 39 0.385 -7.515 -6.567 287 1HG GLU 39 2HG GLU 39 2.030 -8.948 -6.143 288 2HG GLU 39 1HG GLU 39 2.326 -7.982 -4.698 289 H VAL 40 H VAL 40 1.454 -4.835 -3.164 290 HA VAL 40 HA VAL 40 3.104 -3.639 -5.250 291 HB VAL 40 HB VAL 40 2.779 -2.889 -2.340 292 1HG1 VAL 40 1HG1 VAL 40 4.306 -1.537 -4.560 293 2HG1 VAL 40 2HG1 VAL 40 4.970 -2.240 -3.086 294 3HG1 VAL 40 3HG1 VAL 40 3.954 -0.802 -2.996 295 1HG2 VAL 40 1HG2 VAL 40 0.950 -2.542 -4.289 296 2HG2 VAL 40 2HG2 VAL 40 1.903 -1.072 -4.489 297 3HG2 VAL 40 3HG2 VAL 40 1.157 -1.435 -2.932 298 H ASP 41 H ASP 41 5.014 -4.519 -5.676 299 HA ASP 41 HA ASP 41 6.586 -5.580 -3.426 300 1HB ASP 41 2HB ASP 41 5.521 -7.277 -5.107 301 2HB ASP 41 1HB ASP 41 6.829 -6.762 -6.169 302 H LEU 42 H LEU 42 8.264 -4.302 -3.128 303 HA LEU 42 HA LEU 42 9.529 -3.020 -5.445 304 1HB LEU 42 2HB LEU 42 8.978 -2.198 -2.734 305 2HB LEU 42 1HB LEU 42 10.691 -2.052 -3.078 306 HG LEU 42 HG LEU 42 9.994 -0.756 -5.171 307 1HD1 LEU 42 1HD1 LEU 42 7.530 -1.574 -4.703 308 2HD1 LEU 42 2HD1 LEU 42 7.859 -0.008 -5.444 309 3HD1 LEU 42 3HD1 LEU 42 7.482 -0.107 -3.723 310 1HD2 LEU 42 1HD2 LEU 42 10.842 0.818 -3.846 311 2HD2 LEU 42 2HD2 LEU 42 10.195 0.048 -2.398 312 3HD2 LEU 42 3HD2 LEU 42 9.191 1.158 -3.329 313 H LEU 43 H LEU 43 11.265 -3.997 -6.235 314 HA LEU 43 HA LEU 43 13.322 -4.987 -6.335 315 1HB LEU 43 2HB LEU 43 13.293 -3.901 -3.752 316 2HB LEU 43 1HB LEU 43 13.780 -5.568 -3.530 317 HG LEU 43 HG LEU 43 15.144 -3.492 -5.240 318 1HD1 LEU 43 1HD1 LEU 43 17.027 -4.437 -3.593 319 2HD1 LEU 43 2HD1 LEU 43 15.609 -4.664 -2.570 320 3HD1 LEU 43 3HD1 LEU 43 15.999 -3.061 -3.192 321 1HD2 LEU 43 1HD2 LEU 43 16.676 -5.126 -5.969 322 2HD2 LEU 43 2HD2 LEU 43 15.079 -5.828 -6.229 323 3HD2 LEU 43 3HD2 LEU 43 16.049 -6.330 -4.845 324 H LYS 44 H LYS 44 14.241 -7.106 -4.491 325 HA LYS 44 HA LYS 44 13.980 -9.335 -4.115 326 1HB LYS 44 2HB LYS 44 11.267 -8.287 -3.904 327 2HB LYS 44 1HB LYS 44 11.292 -9.945 -4.486 328 1HG LYS 44 2HG LYS 44 11.764 -10.736 -2.469 329 2HG LYS 44 1HG LYS 44 13.086 -9.590 -2.252 330 1HD LYS 44 2HD LYS 44 11.854 -8.402 -0.830 331 2HD LYS 44 1HD LYS 44 10.612 -8.179 -2.061 332 1HE LYS 44 2HE LYS 44 10.587 -10.838 -0.860 333 2HE LYS 44 1HE LYS 44 10.309 -9.544 0.304 334 1HZ LYS 44 1HZ LYS 44 8.205 -9.699 -0.395 335 2HZ LYS 44 2HZ LYS 44 8.614 -10.499 -1.828 336 3HZ LYS 44 3HZ LYS 44 8.725 -8.813 -1.741 337 1H SER 45 1HT SER 45 11.026 11.094 1.157 338 2H SER 45 2HT SER 45 11.056 12.354 2.321 339 3H SER 45 3HT SER 45 10.947 10.717 2.827 340 HA SER 45 HA SER 45 13.212 11.816 1.314 341 1HB SER 45 2HB SER 45 13.245 13.037 3.329 342 2HB SER 45 1HB SER 45 12.651 11.669 4.270 343 HG SER 45 HG SER 45 15.155 11.630 2.955 344 H ASN 46 H ASN 46 12.386 9.467 3.871 345 HA ASN 46 HA ASN 46 14.058 7.492 2.471 346 1HB ASN 46 2HB ASN 46 14.048 8.300 5.147 347 2HB ASN 46 1HB ASN 46 13.265 6.723 5.155 348 1HD2 ASN 46 1HD2 ASN 46 16.066 8.035 5.749 349 2HD2 ASN 46 2HD2 ASN 46 17.153 6.829 5.158 350 H PHE 47 H PHE 47 11.370 7.193 4.786 351 HA PHE 47 HA PHE 47 9.893 5.616 2.804 352 1HB PHE 47 2HB PHE 47 11.070 3.981 4.164 353 2HB PHE 47 1HB PHE 47 10.486 4.743 5.639 354 HD1 PHE 47 1HD PHE 47 7.970 4.763 6.046 355 HD2 PHE 47 2HD PHE 47 9.849 2.284 3.141 356 HE1 PHE 47 1HE PHE 47 5.993 3.299 6.023 357 HE2 PHE 47 2HE PHE 47 7.873 0.816 3.112 358 HZ PHE 47 HZ PHE 47 5.941 1.325 4.553 359 H LEU 48 H LEU 48 7.817 6.158 2.693 360 HA LEU 48 HA LEU 48 6.528 7.380 5.030 361 1HB LEU 48 2HB LEU 48 5.956 8.450 2.296 362 2HB LEU 48 1HB LEU 48 5.702 9.208 3.856 363 HG LEU 48 HG LEU 48 8.365 8.803 2.493 364 1HD1 LEU 48 1HD1 LEU 48 6.518 10.664 1.883 365 2HD1 LEU 48 2HD1 LEU 48 8.258 10.929 1.763 366 3HD1 LEU 48 3HD1 LEU 48 7.377 11.488 3.185 367 1HD2 LEU 48 1HD2 LEU 48 7.706 9.231 5.255 368 2HD2 LEU 48 2HD2 LEU 48 8.581 10.622 4.616 369 3HD2 LEU 48 3HD2 LEU 48 9.285 9.009 4.503 370 H ASN 49 H ASN 49 4.914 6.054 5.538 371 HA ASN 49 HA ASN 49 3.368 4.821 3.354 372 1HB ASN 49 2HB ASN 49 4.497 3.144 4.690 373 2HB ASN 49 1HB ASN 49 3.854 3.839 6.174 374 1HD2 ASN 49 1HD2 ASN 49 2.308 2.650 6.999 375 2HD2 ASN 49 2HD2 ASN 49 1.113 1.767 6.119 376 H CYS 50 H CYS 50 1.182 5.007 3.323 377 HA CYS 50 HA CYS 50 -0.144 6.369 5.556 378 1HB CYS 50 2HB CYS 50 0.505 7.688 3.216 379 2HB CYS 50 1HB CYS 50 -1.162 7.196 2.939 380 HG CYS 50 HG CYS 50 -0.292 9.455 4.698 381 H TYR 51 H TYR 51 -1.571 4.902 6.238 382 HA TYR 51 HA TYR 51 -3.190 3.498 4.215 383 1HB TYR 51 2HB TYR 51 -1.907 1.792 5.165 384 2HB TYR 51 1HB TYR 51 -1.958 2.512 6.768 385 HD1 TYR 51 1HD TYR 51 -2.681 0.595 7.969 386 HD2 TYR 51 2HD TYR 51 -4.923 1.964 4.624 387 HE1 TYR 51 1HE TYR 51 -4.519 -0.917 8.590 388 HE2 TYR 51 2HE TYR 51 -6.766 0.458 5.235 389 HH TYR 51 HH TYR 51 -7.172 -1.541 6.500 390 H VAL 52 H VAL 52 -4.922 4.890 4.220 391 HA VAL 52 HA VAL 52 -6.237 5.457 6.777 392 HB VAL 52 HB VAL 52 -6.905 6.530 4.032 393 1HG1 VAL 52 1HG1 VAL 52 -8.832 6.980 5.124 394 2HG1 VAL 52 2HG1 VAL 52 -7.895 8.332 5.758 395 3HG1 VAL 52 3HG1 VAL 52 -8.084 6.864 6.716 396 1HG2 VAL 52 1HG2 VAL 52 -5.417 7.906 6.263 397 2HG2 VAL 52 2HG2 VAL 52 -5.754 8.544 4.655 398 3HG2 VAL 52 3HG2 VAL 52 -4.648 7.185 4.849 399 H SER 53 H SER 53 -7.588 3.903 7.420 400 HA SER 53 HA SER 53 -8.718 1.920 5.839 401 1HB SER 53 2HB SER 53 -10.248 2.810 8.230 402 2HB SER 53 1HB SER 53 -9.751 1.191 7.748 403 HG SER 53 HG SER 53 -7.656 1.678 8.434 404 H GLY 54 H GLY 54 -11.335 1.673 6.087 405 1HA GLY 54 2HA GLY 54 -13.434 2.788 5.714 406 2HA GLY 54 1HA GLY 54 -12.550 4.117 4.977 407 H PHE 55 H PHE 55 -12.787 0.593 4.509 408 HA PHE 55 HA PHE 55 -13.919 0.790 1.916 409 1HB PHE 55 2HB PHE 55 -12.010 0.076 0.579 410 2HB PHE 55 1HB PHE 55 -11.628 1.590 1.394 411 HD1 PHE 55 1HD PHE 55 -10.272 -1.406 0.475 412 HD2 PHE 55 2HD PHE 55 -10.635 1.083 3.906 413 HE1 PHE 55 1HE PHE 55 -8.271 -2.457 1.451 414 HE2 PHE 55 2HE PHE 55 -8.641 0.037 4.882 415 HZ PHE 55 HZ PHE 55 -7.457 -1.732 3.661 416 H HIS 56 H HIS 56 -14.256 -0.658 4.385 417 HA HIS 56 HA HIS 56 -13.966 -2.846 5.273 418 1HB HIS 56 2HB HIS 56 -15.988 -3.970 3.705 419 2HB HIS 56 1HB HIS 56 -16.166 -3.108 5.223 420 HD1 HIS 56 1HD HIS 56 -16.078 -0.268 4.642 421 HD2 HIS 56 2HD HIS 56 -17.709 -2.933 1.901 422 HE1 HIS 56 1HE HIS 56 -17.575 1.113 3.167 423 HE2 HIS 56 2HE HIS 56 -18.496 -0.509 1.475 424 HA PRO 57 HA PRO 57 -13.145 -6.104 1.916 425 1HB PRO 57 2HB PRO 57 -13.666 -5.622 -0.684 426 2HB PRO 57 1HB PRO 57 -14.926 -6.147 0.440 427 1HG PRO 57 2HG PRO 57 -14.269 -3.370 -0.494 428 2HG PRO 57 1HG PRO 57 -15.852 -4.169 -0.406 429 1HD PRO 57 2HD PRO 57 -15.016 -2.467 1.505 430 2HD PRO 57 1HD PRO 57 -16.008 -3.890 1.879 431 H SER 58 H SER 58 -11.893 -6.169 -0.503 432 HA SER 58 HA SER 58 -10.053 -5.573 -1.715 433 1HB SER 58 2HB SER 58 -9.472 -3.138 -0.098 434 2HB SER 58 1HB SER 58 -9.354 -3.393 -1.839 435 HG SER 58 HG SER 58 -11.718 -3.454 -1.798 436 H ASP 59 H ASP 59 -7.761 -5.641 -1.540 437 HA ASP 59 HA ASP 59 -6.750 -6.273 1.149 438 1HB ASP 59 2HB ASP 59 -7.153 -8.367 -0.082 439 2HB ASP 59 1HB ASP 59 -6.131 -7.792 -1.395 440 H ILE 60 H ILE 60 -4.610 -5.702 1.565 441 HA ILE 60 HA ILE 60 -3.221 -4.212 -0.559 442 HB ILE 60 HB ILE 60 -3.255 -3.315 2.318 443 1HG1 ILE 60 2HG1 ILE 60 -4.732 -1.434 1.360 444 2HG1 ILE 60 1HG1 ILE 60 -5.034 -2.530 0.015 445 1HG2 ILE 60 1HG2 ILE 60 -2.673 -1.501 0.054 446 2HG2 ILE 60 2HG2 ILE 60 -1.458 -2.717 0.447 447 3HG2 ILE 60 3HG2 ILE 60 -1.974 -1.559 1.672 448 1HD1 ILE 60 1HD1 ILE 60 -6.290 -2.434 2.546 449 2HD1 ILE 60 2HD1 ILE 60 -5.454 -3.975 2.404 450 3HD1 ILE 60 3HD1 ILE 60 -6.634 -3.495 1.184 451 H GLU 61 H GLU 61 -1.394 -5.251 -0.966 452 HA GLU 61 HA GLU 61 0.095 -6.431 1.286 453 1HB GLU 61 2HB GLU 61 -0.683 -8.111 -0.312 454 2HB GLU 61 1HB GLU 61 0.086 -7.236 -1.630 455 1HG GLU 61 2HG GLU 61 2.212 -7.849 -0.978 456 2HG GLU 61 1HG GLU 61 1.719 -8.176 0.683 457 H VAL 62 H VAL 62 1.080 -4.345 1.662 458 HA VAL 62 HA VAL 62 2.861 -3.342 -0.418 459 HB VAL 62 HB VAL 62 2.414 -2.255 2.365 460 1HG1 VAL 62 1HG1 VAL 62 3.237 -0.139 1.045 461 2HG1 VAL 62 2HG1 VAL 62 3.986 -1.348 0.002 462 3HG1 VAL 62 3HG1 VAL 62 4.392 -1.289 1.717 463 1HG2 VAL 62 1HG2 VAL 62 1.057 -1.658 -0.249 464 2HG2 VAL 62 2HG2 VAL 62 1.079 -0.503 1.084 465 3HG2 VAL 62 3HG2 VAL 62 0.326 -2.084 1.299 466 H ASP 63 H ASP 63 4.910 -3.959 -0.561 467 HA ASP 63 HA ASP 63 6.461 -4.468 1.838 468 1HB ASP 63 2HB ASP 63 5.434 -6.663 1.293 469 2HB ASP 63 1HB ASP 63 6.193 -6.597 -0.295 470 H LEU 64 H LEU 64 8.429 -3.639 1.605 471 HA LEU 64 HA LEU 64 9.606 -3.504 -1.077 472 1HB LEU 64 2HB LEU 64 10.528 -1.199 -0.295 473 2HB LEU 64 1HB LEU 64 8.921 -1.314 -0.981 474 HG LEU 64 HG LEU 64 9.094 0.174 1.012 475 1HD1 LEU 64 1HD1 LEU 64 7.049 -1.331 0.238 476 2HD1 LEU 64 2HD1 LEU 64 6.976 -0.296 1.663 477 3HD1 LEU 64 3HD1 LEU 64 7.290 -2.022 1.842 478 1HD2 LEU 64 1HD2 LEU 64 9.566 -0.602 3.136 479 2HD2 LEU 64 2HD2 LEU 64 10.724 -1.490 2.147 480 3HD2 LEU 64 3HD2 LEU 64 9.253 -2.284 2.708 481 H LEU 65 H LEU 65 11.832 -3.647 -1.170 482 HA LEU 65 HA LEU 65 13.093 -4.607 1.293 483 1HB LEU 65 2HB LEU 65 13.387 -5.175 -1.566 484 2HB LEU 65 1HB LEU 65 14.917 -5.004 -0.727 485 HG LEU 65 HG LEU 65 12.723 -6.887 0.133 486 1HD1 LEU 65 1HD1 LEU 65 14.183 -8.656 -0.777 487 2HD1 LEU 65 2HD1 LEU 65 15.217 -7.409 -1.475 488 3HD1 LEU 65 3HD1 LEU 65 13.549 -7.581 -2.023 489 1HD2 LEU 65 1HD2 LEU 65 14.048 -7.522 1.844 490 2HD2 LEU 65 2HD2 LEU 65 14.716 -5.902 1.651 491 3HD2 LEU 65 3HD2 LEU 65 15.534 -7.286 0.925 492 H LYS 66 H LYS 66 13.895 -2.929 2.421 493 HA LYS 66 HA LYS 66 15.189 -1.147 2.988 494 1HB LYS 66 2HB LYS 66 16.801 -2.782 1.587 495 2HB LYS 66 1HB LYS 66 16.871 -1.362 0.553 496 1HG LYS 66 2HG LYS 66 18.067 -0.166 2.042 497 2HG LYS 66 1HG LYS 66 17.245 -0.873 3.434 498 1HD LYS 66 2HD LYS 66 18.953 -2.708 1.883 499 2HD LYS 66 1HD LYS 66 19.797 -1.426 2.750 500 1HE LYS 66 2HE LYS 66 18.056 -2.278 4.647 501 2HE LYS 66 1HE LYS 66 18.358 -3.778 3.772 502 1HZ LYS 66 1HZ LYS 66 19.996 -3.726 5.396 503 2HZ LYS 66 2HZ LYS 66 20.286 -2.069 5.214 504 3HZ LYS 66 3HZ LYS 66 20.806 -3.154 4.025 505 1H SER 67 1HT SER 67 16.829 5.926 10.744 506 2H SER 67 2HT SER 67 15.137 5.872 11.024 507 3H SER 67 3HT SER 67 16.049 7.236 11.527 508 HA SER 67 HA SER 67 16.400 7.954 9.392 509 1HB SER 67 2HB SER 67 16.178 6.616 7.470 510 2HB SER 67 1HB SER 67 16.851 5.509 8.667 511 HG SER 67 HG SER 67 14.552 4.954 9.079 512 H ASN 68 H ASN 68 14.669 8.407 7.582 513 HA ASN 68 HA ASN 68 12.379 9.427 8.910 514 1HB ASN 68 2HB ASN 68 13.635 10.182 6.695 515 2HB ASN 68 1HB ASN 68 12.417 9.161 5.939 516 1HD2 ASN 68 1HD2 ASN 68 11.117 10.622 5.021 517 2HD2 ASN 68 2HD2 ASN 68 10.284 11.875 5.870 518 H PHE 69 H PHE 69 11.071 7.885 9.780 519 HA PHE 69 HA PHE 69 9.816 6.014 7.881 520 1HB PHE 69 2HB PHE 69 11.228 4.742 9.384 521 2HB PHE 69 1HB PHE 69 10.516 5.536 10.785 522 HD1 PHE 69 1HD PHE 69 8.617 4.316 7.864 523 HD2 PHE 69 2HD PHE 69 9.739 3.608 11.908 524 HE1 PHE 69 1HE PHE 69 6.931 2.532 8.015 525 HE2 PHE 69 2HE PHE 69 8.056 1.820 12.065 526 HZ PHE 69 HZ PHE 69 6.648 1.281 10.118 527 H LEU 70 H LEU 70 7.794 6.624 7.521 528 HA LEU 70 HA LEU 70 6.213 7.642 9.791 529 1HB LEU 70 2HB LEU 70 6.897 9.097 7.588 530 2HB LEU 70 1HB LEU 70 5.349 8.439 7.092 531 HG LEU 70 HG LEU 70 4.257 9.440 9.015 532 1HD1 LEU 70 1HD1 LEU 70 5.855 11.164 10.254 533 2HD1 LEU 70 2HD1 LEU 70 7.055 9.935 9.853 534 3HD1 LEU 70 3HD1 LEU 70 5.639 9.506 10.814 535 1HD2 LEU 70 1HD2 LEU 70 6.035 11.432 7.613 536 2HD2 LEU 70 2HD2 LEU 70 4.512 11.782 8.431 537 3HD2 LEU 70 3HD2 LEU 70 4.524 10.784 6.977 538 H ASN 71 H ASN 71 5.101 5.839 10.347 539 HA ASN 71 HA ASN 71 3.813 4.242 8.271 540 1HB ASN 71 2HB ASN 71 3.216 2.734 10.182 541 2HB ASN 71 1HB ASN 71 4.947 2.966 9.965 542 1HD2 ASN 71 1HD2 ASN 71 2.622 2.737 12.214 543 2HD2 ASN 71 2HD2 ASN 71 3.332 3.662 13.487 544 H CYS 72 H CYS 72 2.665 6.625 8.198 545 HA CYS 72 HA CYS 72 0.578 7.167 9.976 546 1HB CYS 72 2HB CYS 72 0.920 7.825 7.049 547 2HB CYS 72 1HB CYS 72 -0.426 8.423 8.011 548 HG CYS 72 HG CYS 72 2.202 9.177 9.279 549 H TYR 73 H TYR 73 -1.258 6.128 10.386 550 HA TYR 73 HA TYR 73 -2.935 5.029 8.415 551 1HB TYR 73 2HB TYR 73 -2.668 2.676 8.730 552 2HB TYR 73 1HB TYR 73 -1.076 3.337 8.386 553 HD1 TYR 73 1HD TYR 73 -2.055 0.708 9.862 554 HD2 TYR 73 2HD TYR 73 -0.493 4.444 11.170 555 HE1 TYR 73 1HE TYR 73 -1.187 -0.372 11.892 556 HE2 TYR 73 2HE TYR 73 0.376 3.374 13.203 557 HH TYR 73 HH TYR 73 -0.511 0.205 14.139 558 H VAL 74 H VAL 74 -4.952 4.784 9.197 559 HA VAL 74 HA VAL 74 -5.647 3.928 11.772 560 HB VAL 74 HB VAL 74 -4.620 6.045 12.496 561 1HG1 VAL 74 1HG1 VAL 74 -6.771 7.714 11.385 562 2HG1 VAL 74 2HG1 VAL 74 -5.592 7.120 10.216 563 3HG1 VAL 74 3HG1 VAL 74 -5.056 8.064 11.606 564 1HG2 VAL 74 1HG2 VAL 74 -6.681 4.993 13.589 565 2HG2 VAL 74 2HG2 VAL 74 -7.590 6.304 12.838 566 3HG2 VAL 74 3HG2 VAL 74 -6.307 6.668 13.993 567 H SER 75 H SER 75 -7.936 4.172 12.238 568 HA SER 75 HA SER 75 -10.125 4.970 11.572 569 1HB SER 75 2HB SER 75 -9.119 4.379 8.779 570 2HB SER 75 1HB SER 75 -10.793 4.757 9.173 571 HG SER 75 HG SER 75 -9.896 6.742 10.129 572 H GLY 76 H GLY 76 -11.883 3.507 10.312 573 1HA GLY 76 2HA GLY 76 -11.419 0.831 11.411 574 2HA GLY 76 1HA GLY 76 -12.980 1.525 11.004 575 H PHE 77 H PHE 77 -11.940 -1.071 10.311 576 HA PHE 77 HA PHE 77 -12.608 -1.067 7.523 577 1HB PHE 77 2HB PHE 77 -10.516 -2.214 6.789 578 2HB PHE 77 1HB PHE 77 -10.275 -0.534 7.252 579 HD1 PHE 77 1HD PHE 77 -8.884 0.053 9.088 580 HD2 PHE 77 2HD PHE 77 -9.771 -4.030 8.280 581 HE1 PHE 77 1HE PHE 77 -7.123 -0.636 10.661 582 HE2 PHE 77 2HE PHE 77 -8.012 -4.727 9.853 583 HZ PHE 77 HZ PHE 77 -6.686 -3.029 11.047 584 H HIS 78 H HIS 78 -11.584 -2.762 10.395 585 HA HIS 78 HA HIS 78 -11.668 -4.965 11.003 586 1HB HIS 78 2HB HIS 78 -14.424 -3.993 10.442 587 2HB HIS 78 1HB HIS 78 -14.208 -5.684 10.885 588 HD1 HIS 78 1HD HIS 78 -15.716 -4.641 12.975 589 HD2 HIS 78 2HD HIS 78 -11.670 -3.708 12.818 590 HE1 HIS 78 1HE HIS 78 -15.106 -3.905 15.300 591 HE2 HIS 78 2HE HIS 78 -12.668 -3.279 15.165 592 HA PRO 79 HA PRO 79 -13.048 -7.994 7.690 593 1HB PRO 79 2HB PRO 79 -14.935 -7.368 5.849 594 2HB PRO 79 1HB PRO 79 -15.337 -7.967 7.464 595 1HG PRO 79 2HG PRO 79 -15.282 -5.143 6.456 596 2HG PRO 79 1HG PRO 79 -16.524 -5.956 7.429 597 1HD PRO 79 2HD PRO 79 -14.697 -4.333 8.546 598 2HD PRO 79 1HD PRO 79 -15.292 -5.784 9.375 599 H SER 80 H SER 80 -10.935 -6.416 7.289 600 HA SER 80 HA SER 80 -10.802 -6.207 4.366 601 1HB SER 80 2HB SER 80 -9.934 -4.068 4.339 602 2HB SER 80 1HB SER 80 -11.026 -3.937 5.717 603 HG SER 80 HG SER 80 -8.219 -4.231 5.705 604 H ASP 81 H ASP 81 -8.640 -6.425 3.497 605 HA ASP 81 HA ASP 81 -6.884 -7.936 5.318 606 1HB ASP 81 2HB ASP 81 -7.979 -8.936 3.121 607 2HB ASP 81 1HB ASP 81 -6.608 -8.140 2.353 608 H ILE 82 H ILE 82 -5.471 -6.451 6.086 609 HA ILE 82 HA ILE 82 -3.905 -4.953 4.088 610 HB ILE 82 HB ILE 82 -3.470 -3.430 6.225 611 1HG1 ILE 82 2HG1 ILE 82 -5.649 -3.106 7.428 612 2HG1 ILE 82 1HG1 ILE 82 -6.234 -4.582 6.666 613 1HG2 ILE 82 1HG2 ILE 82 -4.820 -1.832 5.233 614 2HG2 ILE 82 2HG2 ILE 82 -6.043 -3.011 4.758 615 3HG2 ILE 82 3HG2 ILE 82 -4.500 -2.948 3.906 616 1HD1 ILE 82 1HD1 ILE 82 -3.753 -4.526 8.350 617 2HD1 ILE 82 2HD1 ILE 82 -4.717 -5.918 7.856 618 3HD1 ILE 82 3HD1 ILE 82 -5.361 -4.773 9.033 619 H GLU 83 H GLU 83 -1.698 -4.859 4.345 620 HA GLU 83 HA GLU 83 -0.407 -5.930 6.683 621 1HB GLU 83 2HB GLU 83 0.810 -7.712 5.456 622 2HB GLU 83 1HB GLU 83 -0.916 -8.020 5.586 623 1HG GLU 83 2HG GLU 83 -1.224 -7.222 3.292 624 2HG GLU 83 1HG GLU 83 0.513 -6.943 3.166 625 H VAL 84 H VAL 84 1.369 -4.775 7.000 626 HA VAL 84 HA VAL 84 2.618 -3.458 4.678 627 HB VAL 84 HB VAL 84 2.775 -2.566 7.558 628 1HG1 VAL 84 1HG1 VAL 84 3.196 -0.421 5.830 629 2HG1 VAL 84 2HG1 VAL 84 4.101 -1.759 5.123 630 3HG1 VAL 84 3HG1 VAL 84 4.409 -1.269 6.789 631 1HG2 VAL 84 1HG2 VAL 84 1.223 -0.724 6.731 632 2HG2 VAL 84 2HG2 VAL 84 0.506 -2.311 7.005 633 3HG2 VAL 84 3HG2 VAL 84 0.878 -1.783 5.363 634 H ASP 85 H ASP 85 4.705 -3.832 4.240 635 HA ASP 85 HA ASP 85 6.339 -5.206 6.267 636 1HB ASP 85 2HB ASP 85 6.393 -5.811 3.305 637 2HB ASP 85 1HB ASP 85 7.299 -6.636 4.569 638 H LEU 86 H LEU 86 7.765 -3.688 6.855 639 HA LEU 86 HA LEU 86 9.049 -2.080 4.752 640 1HB LEU 86 2HB LEU 86 9.347 -1.438 7.650 641 2HB LEU 86 1HB LEU 86 9.372 -0.366 6.266 642 HG LEU 86 HG LEU 86 7.396 0.173 7.398 643 1HD1 LEU 86 1HD1 LEU 86 7.232 -0.497 4.876 644 2HD1 LEU 86 2HD1 LEU 86 5.779 -0.121 5.803 645 3HD1 LEU 86 3HD1 LEU 86 6.221 -1.800 5.502 646 1HD2 LEU 86 1HD2 LEU 86 6.243 -2.541 7.486 647 2HD2 LEU 86 2HD2 LEU 86 6.123 -1.214 8.642 648 3HD2 LEU 86 3HD2 LEU 86 7.574 -2.218 8.599 649 H LEU 87 H LEU 87 10.773 -3.264 4.089 650 HA LEU 87 HA LEU 87 12.812 -4.278 4.128 651 1HB LEU 87 2HB LEU 87 13.541 -2.193 5.104 652 2HB LEU 87 1HB LEU 87 13.010 -2.705 6.694 653 HG LEU 87 HG LEU 87 14.743 -4.442 6.722 654 1HD1 LEU 87 1HD1 LEU 87 16.551 -4.157 4.907 655 2HD1 LEU 87 2HD1 LEU 87 15.264 -3.406 3.964 656 3HD1 LEU 87 3HD1 LEU 87 15.095 -5.072 4.518 657 1HD2 LEU 87 1HD2 LEU 87 16.326 -3.017 7.462 658 2HD2 LEU 87 2HD2 LEU 87 15.068 -1.811 7.193 659 3HD2 LEU 87 3HD2 LEU 87 16.317 -2.067 5.976 660 H LYS 88 H LYS 88 12.569 -6.427 4.303 661 HA LYS 88 HA LYS 88 12.793 -7.611 6.954 662 1HB LYS 88 2HB LYS 88 10.428 -7.904 5.159 663 2HB LYS 88 1HB LYS 88 10.953 -9.307 6.081 664 1HG LYS 88 2HG LYS 88 10.239 -8.457 8.036 665 2HG LYS 88 1HG LYS 88 10.704 -6.808 7.612 666 1HD LYS 88 2HD LYS 88 8.485 -6.474 7.448 667 2HD LYS 88 1HD LYS 88 8.672 -7.238 5.868 668 1HE LYS 88 2HE LYS 88 8.304 -9.058 8.163 669 2HE LYS 88 1HE LYS 88 6.914 -8.064 7.733 670 1HZ LYS 88 1HZ LYS 88 8.196 -10.217 6.234 671 2HZ LYS 88 2HZ LYS 88 7.572 -8.923 5.340 672 3HZ LYS 88 3HZ LYS 88 6.557 -9.811 6.360 Start of MODEL 5 1 1H SER 1 1HT SER 1 14.535 7.621 -10.350 2 2H SER 1 2HT SER 1 13.647 9.003 -9.852 3 3H SER 1 3HT SER 1 12.829 7.535 -10.203 4 HA SER 1 HA SER 1 14.136 6.506 -8.389 5 1HB SER 1 2HB SER 1 15.522 8.877 -8.533 6 2HB SER 1 1HB SER 1 14.486 9.140 -7.130 7 HG SER 1 HG SER 1 16.706 7.689 -7.289 8 H ASN 2 H ASN 2 13.482 7.491 -5.911 9 HA ASN 2 HA ASN 2 11.694 7.396 -4.493 10 1HB ASN 2 2HB ASN 2 10.187 9.332 -4.674 11 2HB ASN 2 1HB ASN 2 11.872 9.796 -4.892 12 1HD2 ASN 2 1HD2 ASN 2 12.603 10.353 -6.965 13 2HD2 ASN 2 2HD2 ASN 2 11.504 10.836 -8.206 14 H PHE 3 H PHE 3 10.704 5.452 -4.786 15 HA PHE 3 HA PHE 3 8.888 4.962 -6.959 16 1HB PHE 3 2HB PHE 3 10.296 3.208 -5.804 17 2HB PHE 3 1HB PHE 3 9.222 3.350 -4.422 18 HD1 PHE 3 1HD PHE 3 6.700 3.715 -6.327 19 HD2 PHE 3 2HD PHE 3 9.835 0.848 -6.034 20 HE1 PHE 3 1HE PHE 3 5.221 2.013 -7.284 21 HE2 PHE 3 2HE PHE 3 8.347 -0.861 -6.994 22 HZ PHE 3 HZ PHE 3 6.044 -0.277 -7.620 23 H LEU 4 H LEU 4 7.041 6.080 -6.998 24 HA LEU 4 HA LEU 4 5.571 6.544 -4.509 25 1HB LEU 4 2HB LEU 4 4.707 7.612 -7.165 26 2HB LEU 4 1HB LEU 4 4.473 8.293 -5.568 27 HG LEU 4 HG LEU 4 7.173 8.424 -5.756 28 1HD1 LEU 4 1HD1 LEU 4 6.064 8.457 -8.527 29 2HD1 LEU 4 2HD1 LEU 4 7.557 7.740 -7.923 30 3HD1 LEU 4 3HD1 LEU 4 7.435 9.488 -8.118 31 1HD2 LEU 4 1HD2 LEU 4 5.416 10.189 -5.212 32 2HD2 LEU 4 2HD2 LEU 4 5.424 10.560 -6.936 33 3HD2 LEU 4 3HD2 LEU 4 6.900 10.741 -5.988 34 H ASN 5 H ASN 5 5.190 4.114 -4.607 35 HA ASN 5 HA ASN 5 3.435 3.030 -6.544 36 1HB ASN 5 2HB ASN 5 3.445 1.070 -5.254 37 2HB ASN 5 1HB ASN 5 5.010 1.798 -4.917 38 1HD2 ASN 5 1HD2 ASN 5 5.569 2.014 -2.872 39 2HD2 ASN 5 2HD2 ASN 5 4.499 1.947 -1.517 40 H CYS 6 H CYS 6 1.384 1.812 -5.483 41 HA CYS 6 HA CYS 6 -0.767 1.996 -4.803 42 1HB CYS 6 2HB CYS 6 0.661 3.789 -2.904 43 2HB CYS 6 1HB CYS 6 -1.094 3.884 -2.954 44 HG CYS 6 HG CYS 6 -0.009 2.055 -1.222 45 H TYR 7 H TYR 7 -2.406 4.134 -4.173 46 HA TYR 7 HA TYR 7 -2.082 6.108 -6.300 47 1HB TYR 7 2HB TYR 7 -4.224 5.642 -7.303 48 2HB TYR 7 1HB TYR 7 -3.301 4.140 -7.265 49 HD1 TYR 7 1HD TYR 7 -4.110 2.243 -6.094 50 HD2 TYR 7 2HD TYR 7 -6.021 6.009 -5.588 51 HE1 TYR 7 1HE TYR 7 -5.942 1.145 -4.874 52 HE2 TYR 7 2HE TYR 7 -7.858 4.923 -4.371 53 HH TYR 7 HH TYR 7 -7.675 1.694 -3.273 54 H VAL 8 H VAL 8 -3.410 7.965 -6.059 55 HA VAL 8 HA VAL 8 -4.322 8.371 -3.310 56 HB VAL 8 HB VAL 8 -2.766 10.030 -4.187 57 1HG1 VAL 8 1HG1 VAL 8 -4.382 9.818 -6.535 58 2HG1 VAL 8 2HG1 VAL 8 -2.832 10.629 -6.319 59 3HG1 VAL 8 3HG1 VAL 8 -4.333 11.500 -6.007 60 1HG2 VAL 8 1HG2 VAL 8 -5.436 11.392 -4.047 61 2HG2 VAL 8 2HG2 VAL 8 -3.877 11.945 -3.437 62 3HG2 VAL 8 3HG2 VAL 8 -4.718 10.620 -2.633 63 H SER 9 H SER 9 -6.285 7.159 -3.527 64 HA SER 9 HA SER 9 -8.530 6.949 -3.820 65 1HB SER 9 2HB SER 9 -9.822 8.879 -3.721 66 2HB SER 9 1HB SER 9 -8.280 9.458 -3.091 67 HG SER 9 HG SER 9 -9.186 10.838 -4.707 68 H GLY 10 H GLY 10 -9.297 5.768 -5.439 69 1HA GLY 10 2HA GLY 10 -10.403 5.789 -7.607 70 2HA GLY 10 1HA GLY 10 -9.147 6.880 -8.170 71 H PHE 11 H PHE 11 -10.209 3.964 -8.736 72 HA PHE 11 HA PHE 11 -7.880 3.003 -9.933 73 1HB PHE 11 2HB PHE 11 -6.976 2.571 -7.756 74 2HB PHE 11 1HB PHE 11 -8.468 1.808 -7.221 75 HD1 PHE 11 1HD PHE 11 -6.092 1.402 -10.075 76 HD2 PHE 11 2HD PHE 11 -8.334 -0.460 -6.976 77 HE1 PHE 11 1HE PHE 11 -5.215 -0.790 -10.763 78 HE2 PHE 11 2HE PHE 11 -7.458 -2.657 -7.653 79 HZ PHE 11 HZ PHE 11 -5.897 -2.822 -9.552 80 H HIS 12 H HIS 12 -8.218 1.112 -11.123 81 HA HIS 12 HA HIS 12 -11.000 0.478 -11.574 82 1HB HIS 12 2HB HIS 12 -10.032 -1.007 -13.387 83 2HB HIS 12 1HB HIS 12 -9.676 0.710 -13.540 84 HD1 HIS 12 1HD HIS 12 -8.031 -2.513 -12.433 85 HD2 HIS 12 2HD HIS 12 -7.014 1.326 -13.655 86 HE1 HIS 12 1HE HIS 12 -5.530 -2.532 -12.698 87 HE2 HIS 12 2HE HIS 12 -4.952 -0.231 -13.545 88 HA PRO 13 HA PRO 13 -11.431 -3.237 -9.263 89 1HB PRO 13 2HB PRO 13 -12.520 -4.945 -11.152 90 2HB PRO 13 1HB PRO 13 -13.430 -3.749 -10.225 91 1HG PRO 13 2HG PRO 13 -12.350 -3.575 -13.005 92 2HG PRO 13 1HG PRO 13 -13.904 -3.006 -12.366 93 1HD PRO 13 2HD PRO 13 -11.881 -1.313 -12.827 94 2HD PRO 13 1HD PRO 13 -12.965 -1.100 -11.435 95 H SER 14 H SER 14 -11.318 -5.876 -10.107 96 HA SER 14 HA SER 14 -9.944 -7.607 -10.596 97 1HB SER 14 2HB SER 14 -8.869 -5.496 -12.353 98 2HB SER 14 1HB SER 14 -7.726 -6.774 -11.944 99 HG SER 14 HG SER 14 -8.728 -7.713 -13.562 100 H ASP 15 H ASP 15 -7.109 -5.537 -10.614 101 HA ASP 15 HA ASP 15 -6.573 -5.517 -7.869 102 1HB ASP 15 2HB ASP 15 -6.361 -7.822 -7.723 103 2HB ASP 15 1HB ASP 15 -5.719 -7.972 -9.353 104 H ILE 16 H ILE 16 -4.348 -4.909 -7.359 105 HA ILE 16 HA ILE 16 -3.177 -3.346 -9.535 106 HB ILE 16 HB ILE 16 -3.327 -3.066 -6.613 107 1HG1 ILE 16 2HG1 ILE 16 -2.581 -0.684 -8.026 108 2HG1 ILE 16 1HG1 ILE 16 -3.814 -1.539 -8.946 109 1HG2 ILE 16 1HG2 ILE 16 -1.200 -1.712 -6.526 110 2HG2 ILE 16 2HG2 ILE 16 -0.743 -2.496 -8.038 111 3HG2 ILE 16 3HG2 ILE 16 -0.999 -3.463 -6.586 112 1HD1 ILE 16 1HD1 ILE 16 -3.976 -0.444 -6.166 113 2HD1 ILE 16 2HD1 ILE 16 -5.113 -1.656 -6.758 114 3HD1 ILE 16 3HD1 ILE 16 -4.997 -0.090 -7.559 115 H GLU 17 H GLU 17 -1.510 -4.183 -10.619 116 HA GLU 17 HA GLU 17 0.200 -6.140 -9.245 117 1HB GLU 17 2HB GLU 17 0.552 -7.243 -11.248 118 2HB GLU 17 1HB GLU 17 -1.107 -6.702 -11.429 119 1HG GLU 17 2HG GLU 17 -0.348 -4.822 -12.794 120 2HG GLU 17 1HG GLU 17 1.319 -5.364 -12.607 121 H VAL 18 H VAL 18 2.055 -5.362 -8.538 122 HA VAL 18 HA VAL 18 3.678 -3.683 -10.271 123 HB VAL 18 HB VAL 18 3.101 -2.753 -7.459 124 1HG1 VAL 18 1HG1 VAL 18 4.109 -0.635 -8.357 125 2HG1 VAL 18 2HG1 VAL 18 4.565 -1.545 -9.797 126 3HG1 VAL 18 3HG1 VAL 18 5.223 -1.997 -8.224 127 1HG2 VAL 18 1HG2 VAL 18 1.062 -2.592 -8.817 128 2HG2 VAL 18 2HG2 VAL 18 1.950 -1.673 -10.031 129 3HG2 VAL 18 3HG2 VAL 18 1.710 -1.002 -8.418 130 H ASP 19 H ASP 19 5.836 -4.027 -9.993 131 HA ASP 19 HA ASP 19 6.803 -5.265 -7.546 132 1HB ASP 19 2HB ASP 19 7.314 -6.610 -10.202 133 2HB ASP 19 1HB ASP 19 7.764 -7.190 -8.600 134 H LEU 20 H LEU 20 8.692 -4.442 -7.002 135 HA LEU 20 HA LEU 20 10.705 -3.410 -7.071 136 1HB LEU 20 2HB LEU 20 11.420 -5.123 -8.591 137 2HB LEU 20 1HB LEU 20 10.636 -4.325 -9.939 138 HG LEU 20 HG LEU 20 13.263 -4.166 -9.482 139 1HD1 LEU 20 1HD1 LEU 20 11.312 -2.597 -10.935 140 2HD1 LEU 20 2HD1 LEU 20 12.905 -3.164 -11.428 141 3HD1 LEU 20 3HD1 LEU 20 12.748 -1.662 -10.522 142 1HD2 LEU 20 1HD2 LEU 20 12.475 -1.526 -8.372 143 2HD2 LEU 20 2HD2 LEU 20 13.979 -2.430 -8.191 144 3HD2 LEU 20 3HD2 LEU 20 12.548 -2.905 -7.278 145 H LEU 21 H LEU 21 9.346 -2.646 -10.276 146 HA LEU 21 HA LEU 21 9.226 -0.654 -11.396 147 1HB LEU 21 2HB LEU 21 7.457 -0.741 -9.231 148 2HB LEU 21 1HB LEU 21 8.125 0.880 -9.208 149 HG LEU 21 HG LEU 21 6.097 0.903 -10.488 150 1HD1 LEU 21 1HD1 LEU 21 8.000 0.955 -12.735 151 2HD1 LEU 21 2HD1 LEU 21 8.426 1.948 -11.341 152 3HD1 LEU 21 3HD1 LEU 21 6.884 2.192 -12.160 153 1HD2 LEU 21 1HD2 LEU 21 5.716 -0.478 -12.414 154 2HD2 LEU 21 2HD2 LEU 21 6.113 -1.521 -11.048 155 3HD2 LEU 21 3HD2 LEU 21 7.327 -1.184 -12.283 156 H LYS 22 H LYS 22 11.568 -0.384 -11.390 157 HA LYS 22 HA LYS 22 12.361 2.200 -10.723 158 1HB LYS 22 2HB LYS 22 12.302 0.798 -8.425 159 2HB LYS 22 1HB LYS 22 13.928 0.403 -8.958 160 1HG LYS 22 2HG LYS 22 14.021 2.301 -7.503 161 2HG LYS 22 1HG LYS 22 14.413 2.821 -9.143 162 1HD LYS 22 2HD LYS 22 11.583 3.021 -8.713 163 2HD LYS 22 1HD LYS 22 12.441 3.859 -7.421 164 1HE LYS 22 2HE LYS 22 12.436 5.564 -8.896 165 2HE LYS 22 1HE LYS 22 13.843 4.725 -9.548 166 1HZ LYS 22 1HZ LYS 22 11.773 5.424 -11.031 167 2HZ LYS 22 2HZ LYS 22 11.240 3.892 -10.555 168 3HZ LYS 22 3HZ LYS 22 12.714 4.060 -11.370 169 1H SER 23 1HT SER 23 14.911 8.977 2.382 170 2H SER 23 2HT SER 23 14.164 10.371 3.047 171 3H SER 23 3HT SER 23 15.295 10.528 1.766 172 HA SER 23 HA SER 23 12.570 9.452 1.708 173 1HB SER 23 2HB SER 23 12.597 11.777 1.336 174 2HB SER 23 1HB SER 23 14.098 11.703 0.413 175 HG SER 23 HG SER 23 13.003 10.851 -1.301 176 H ASN 24 H ASN 24 12.139 7.799 0.401 177 HA ASN 24 HA ASN 24 13.510 7.385 -2.073 178 1HB ASN 24 2HB ASN 24 14.993 6.406 -0.139 179 2HB ASN 24 1HB ASN 24 13.827 5.087 -0.179 180 1HD2 ASN 24 1HD2 ASN 24 13.393 4.224 -2.424 181 2HD2 ASN 24 2HD2 ASN 24 14.771 4.002 -3.442 182 H PHE 25 H PHE 25 11.479 5.905 0.437 183 HA PHE 25 HA PHE 25 9.903 4.610 -1.676 184 1HB PHE 25 2HB PHE 25 10.581 3.016 -0.048 185 2HB PHE 25 1HB PHE 25 10.136 4.079 1.283 186 HD1 PHE 25 1HD PHE 25 7.941 4.113 2.142 187 HD2 PHE 25 2HD PHE 25 8.796 1.959 -1.426 188 HE1 PHE 25 1HE PHE 25 5.720 3.058 2.253 189 HE2 PHE 25 2HE PHE 25 6.577 0.900 -1.321 190 HZ PHE 25 HZ PHE 25 5.037 1.448 0.519 191 H LEU 26 H LEU 26 8.025 5.436 -2.252 192 HA LEU 26 HA LEU 26 6.570 7.144 -0.344 193 1HB LEU 26 2HB LEU 26 7.009 7.531 -3.299 194 2HB LEU 26 1HB LEU 26 5.731 8.354 -2.424 195 HG LEU 26 HG LEU 26 7.424 9.415 -0.973 196 1HD1 LEU 26 1HD1 LEU 26 9.806 9.233 -2.218 197 2HD1 LEU 26 2HD1 LEU 26 9.194 7.599 -2.470 198 3HD1 LEU 26 3HD1 LEU 26 9.342 8.243 -0.835 199 1HD2 LEU 26 1HD2 LEU 26 8.220 11.002 -2.590 200 2HD2 LEU 26 2HD2 LEU 26 6.593 10.498 -3.048 201 3HD2 LEU 26 3HD2 LEU 26 7.991 9.846 -3.902 202 H ASN 27 H ASN 27 4.624 6.379 0.143 203 HA ASN 27 HA ASN 27 3.208 4.733 -1.849 204 1HB ASN 27 2HB ASN 27 4.107 3.287 -0.093 205 2HB ASN 27 1HB ASN 27 3.341 4.275 1.141 206 1HD2 ASN 27 1HD2 ASN 27 0.943 4.450 0.971 207 2HD2 ASN 27 2HD2 ASN 27 0.076 3.031 0.505 208 H CYS 28 H CYS 28 1.434 5.772 -2.480 209 HA CYS 28 HA CYS 28 -0.010 7.405 -0.492 210 1HB CYS 28 2HB CYS 28 1.117 8.464 -2.626 211 2HB CYS 28 1HB CYS 28 -0.330 7.864 -3.429 212 HG CYS 28 HG CYS 28 -1.368 9.403 -1.197 213 H TYR 29 H TYR 29 -1.603 6.107 0.223 214 HA TYR 29 HA TYR 29 -3.426 4.987 -1.801 215 1HB TYR 29 2HB TYR 29 -2.306 3.107 -0.837 216 2HB TYR 29 1HB TYR 29 -2.506 3.740 0.792 217 HD1 TYR 29 1HD TYR 29 -3.580 1.786 1.683 218 HD2 TYR 29 2HD TYR 29 -5.204 3.756 -1.721 219 HE1 TYR 29 1HE TYR 29 -5.656 0.488 1.929 220 HE2 TYR 29 2HE TYR 29 -7.284 2.465 -1.483 221 HH TYR 29 HH TYR 29 -8.244 0.989 1.138 222 H VAL 30 H VAL 30 -4.778 6.795 -1.676 223 HA VAL 30 HA VAL 30 -6.033 7.318 0.928 224 HB VAL 30 HB VAL 30 -6.292 8.967 -1.587 225 1HG1 VAL 30 1HG1 VAL 30 -7.867 9.010 0.605 226 2HG1 VAL 30 2HG1 VAL 30 -7.539 10.422 -0.400 227 3HG1 VAL 30 3HG1 VAL 30 -6.621 10.164 1.083 228 1HG2 VAL 30 1HG2 VAL 30 -4.427 9.393 0.747 229 2HG2 VAL 30 2HG2 VAL 30 -4.633 10.471 -0.634 230 3HG2 VAL 30 3HG2 VAL 30 -3.948 8.862 -0.866 231 H SER 31 H SER 31 -8.110 6.844 1.312 232 HA SER 31 HA SER 31 -10.231 6.077 1.047 233 1HB SER 31 2HB SER 31 -10.703 7.873 -0.439 234 2HB SER 31 1HB SER 31 -9.773 7.136 -1.742 235 HG SER 31 HG SER 31 -11.352 5.633 -2.026 236 H GLY 32 H GLY 32 -11.398 4.227 0.378 237 1HA GLY 32 2HA GLY 32 -9.651 2.094 -0.576 238 2HA GLY 32 1HA GLY 32 -11.226 1.892 0.174 239 H PHE 33 H PHE 33 -12.246 0.645 -1.307 240 HA PHE 33 HA PHE 33 -13.405 1.813 -3.552 241 1HB PHE 33 2HB PHE 33 -12.185 0.310 -5.293 242 2HB PHE 33 1HB PHE 33 -11.449 1.827 -4.798 243 HD1 PHE 33 1HD PHE 33 -9.341 0.892 -5.712 244 HD2 PHE 33 2HD PHE 33 -11.318 -0.860 -2.376 245 HE1 PHE 33 1HE PHE 33 -7.274 -0.300 -5.117 246 HE2 PHE 33 2HE PHE 33 -9.252 -2.047 -1.772 247 HZ PHE 33 HZ PHE 33 -7.227 -1.769 -3.143 248 H HIS 34 H HIS 34 -12.347 -1.364 -4.332 249 HA HIS 34 HA HIS 34 -14.816 -2.488 -3.193 250 1HB HIS 34 2HB HIS 34 -13.857 -3.843 -5.599 251 2HB HIS 34 1HB HIS 34 -15.474 -3.274 -5.202 252 HD1 HIS 34 1HD HIS 34 -13.193 -2.871 -7.759 253 HD2 HIS 34 2HD HIS 34 -15.270 -0.139 -5.417 254 HE1 HIS 34 1HE HIS 34 -13.209 -0.731 -9.078 255 HE2 HIS 34 2HE HIS 34 -14.355 0.940 -7.583 256 HA PRO 35 HA PRO 35 -12.652 -6.023 -1.663 257 1HB PRO 35 2HB PRO 35 -13.729 -7.934 -3.640 258 2HB PRO 35 1HB PRO 35 -13.931 -7.896 -1.885 259 1HG PRO 35 2HG PRO 35 -15.945 -7.259 -3.526 260 2HG PRO 35 1HG PRO 35 -15.701 -6.409 -1.987 261 1HD PRO 35 2HD PRO 35 -14.994 -5.537 -4.766 262 2HD PRO 35 1HD PRO 35 -15.708 -4.597 -3.438 263 H SER 36 H SER 36 -12.009 -5.028 -4.794 264 HA SER 36 HA SER 36 -10.466 -6.847 -6.058 265 1HB SER 36 2HB SER 36 -10.637 -4.792 -7.149 266 2HB SER 36 1HB SER 36 -10.140 -3.880 -5.723 267 HG SER 36 HG SER 36 -8.474 -5.560 -7.292 268 H ASP 37 H ASP 37 -8.126 -7.169 -6.180 269 HA ASP 37 HA ASP 37 -6.962 -7.262 -3.485 270 1HB ASP 37 2HB ASP 37 -7.271 -9.370 -4.925 271 2HB ASP 37 1HB ASP 37 -5.930 -8.756 -5.887 272 H ILE 38 H ILE 38 -4.922 -6.458 -3.056 273 HA ILE 38 HA ILE 38 -3.733 -4.811 -5.194 274 HB ILE 38 HB ILE 38 -3.555 -4.214 -2.244 275 1HG1 ILE 38 2HG1 ILE 38 -5.890 -4.044 -2.909 276 2HG1 ILE 38 1HG1 ILE 38 -5.224 -2.431 -2.675 277 1HG2 ILE 38 1HG2 ILE 38 -2.457 -2.284 -2.809 278 2HG2 ILE 38 2HG2 ILE 38 -3.184 -2.210 -4.414 279 3HG2 ILE 38 3HG2 ILE 38 -1.887 -3.358 -4.087 280 1HD1 ILE 38 1HD1 ILE 38 -4.927 -3.277 -5.410 281 2HD1 ILE 38 2HD1 ILE 38 -5.732 -1.854 -4.748 282 3HD1 ILE 38 3HD1 ILE 38 -6.608 -3.378 -4.886 283 H GLU 39 H GLU 39 -1.762 -5.376 -5.790 284 HA GLU 39 HA GLU 39 -0.058 -6.805 -3.856 285 1HB GLU 39 2HB GLU 39 -1.016 -8.184 -5.790 286 2HB GLU 39 1HB GLU 39 0.048 -7.251 -6.833 287 1HG GLU 39 2HG GLU 39 1.978 -8.022 -5.524 288 2HG GLU 39 1HG GLU 39 0.893 -8.996 -4.532 289 H VAL 40 H VAL 40 0.962 -4.875 -3.250 290 HA VAL 40 HA VAL 40 2.467 -3.451 -5.325 291 HB VAL 40 HB VAL 40 2.067 -2.706 -2.423 292 1HG1 VAL 40 1HG1 VAL 40 3.962 -1.548 -2.978 293 2HG1 VAL 40 2HG1 VAL 40 2.733 -0.408 -3.528 294 3HG1 VAL 40 3HG1 VAL 40 3.541 -1.462 -4.689 295 1HG2 VAL 40 1HG2 VAL 40 0.237 -1.488 -2.974 296 2HG2 VAL 40 2HG2 VAL 40 0.103 -2.708 -4.240 297 3HG2 VAL 40 3HG2 VAL 40 0.823 -1.139 -4.600 298 H ASP 41 H ASP 41 4.506 -3.991 -5.659 299 HA ASP 41 HA ASP 41 6.139 -4.858 -3.376 300 1HB ASP 41 2HB ASP 41 5.368 -6.481 -5.581 301 2HB ASP 41 1HB ASP 41 7.086 -6.137 -5.757 302 H LEU 42 H LEU 42 7.872 -3.619 -3.143 303 HA LEU 42 HA LEU 42 8.907 -2.201 -5.512 304 1HB LEU 42 2HB LEU 42 9.372 -1.088 -2.799 305 2HB LEU 42 1HB LEU 42 9.166 -0.260 -4.327 306 HG LEU 42 HG LEU 42 7.288 0.317 -3.024 307 1HD1 LEU 42 1HD1 LEU 42 6.938 -1.384 -5.324 308 2HD1 LEU 42 2HD1 LEU 42 6.058 0.067 -4.851 309 3HD1 LEU 42 3HD1 LEU 42 5.564 -1.506 -4.229 310 1HD2 LEU 42 1HD2 LEU 42 6.169 -1.023 -1.561 311 2HD2 LEU 42 2HD2 LEU 42 7.734 -1.836 -1.545 312 3HD2 LEU 42 3HD2 LEU 42 6.416 -2.476 -2.528 313 H LEU 43 H LEU 43 11.131 -2.001 -5.753 314 HA LEU 43 HA LEU 43 13.301 -2.701 -5.633 315 1HB LEU 43 2HB LEU 43 12.699 -1.601 -3.233 316 2HB LEU 43 1HB LEU 43 13.214 -3.199 -2.729 317 HG LEU 43 HG LEU 43 15.106 -1.743 -2.616 318 1HD1 LEU 43 1HD1 LEU 43 15.174 -3.594 -4.985 319 2HD1 LEU 43 2HD1 LEU 43 15.719 -3.909 -3.338 320 3HD1 LEU 43 3HD1 LEU 43 16.607 -2.778 -4.360 321 1HD2 LEU 43 1HD2 LEU 43 14.076 -0.788 -5.214 322 2HD2 LEU 43 2HD2 LEU 43 15.830 -0.848 -5.036 323 3HD2 LEU 43 3HD2 LEU 43 14.860 0.097 -3.906 324 H LYS 44 H LYS 44 11.043 -4.733 -5.720 325 HA LYS 44 HA LYS 44 12.726 -7.057 -5.119 326 1HB LYS 44 2HB LYS 44 10.757 -6.496 -3.426 327 2HB LYS 44 1HB LYS 44 9.792 -7.304 -4.653 328 1HG LYS 44 2HG LYS 44 11.577 -9.174 -4.468 329 2HG LYS 44 1HG LYS 44 11.960 -8.411 -2.924 330 1HD LYS 44 2HD LYS 44 9.517 -8.594 -2.349 331 2HD LYS 44 1HD LYS 44 9.324 -9.583 -3.798 332 1HE LYS 44 2HE LYS 44 10.921 -11.199 -2.931 333 2HE LYS 44 1HE LYS 44 11.187 -10.196 -1.505 334 1HZ LYS 44 1HZ LYS 44 8.432 -10.953 -2.050 335 2HZ LYS 44 2HZ LYS 44 9.256 -10.849 -0.576 336 3HZ LYS 44 3HZ LYS 44 9.462 -12.205 -1.567 337 1H SER 45 1HT SER 45 16.847 4.620 4.061 338 2H SER 45 2HT SER 45 17.052 6.258 3.590 339 3H SER 45 3HT SER 45 17.964 5.022 2.824 340 HA SER 45 HA SER 45 16.326 5.551 1.330 341 1HB SER 45 2HB SER 45 14.821 3.479 1.493 342 2HB SER 45 1HB SER 45 16.562 3.195 1.473 343 HG SER 45 HG SER 45 16.512 2.609 3.533 344 H ASN 46 H ASN 46 14.969 5.159 4.573 345 HA ASN 46 HA ASN 46 13.179 6.119 5.598 346 1HB ASN 46 2HB ASN 46 14.167 8.106 4.001 347 2HB ASN 46 1HB ASN 46 12.501 8.000 3.438 348 1HD2 ASN 46 1HD2 ASN 46 11.284 7.258 5.842 349 2HD2 ASN 46 2HD2 ASN 46 11.370 8.594 6.933 350 H PHE 47 H PHE 47 11.310 5.108 5.770 351 HA PHE 47 HA PHE 47 9.876 4.347 3.316 352 1HB PHE 47 2HB PHE 47 10.227 2.323 4.329 353 2HB PHE 47 1HB PHE 47 10.305 3.019 5.940 354 HD1 PHE 47 1HD PHE 47 8.005 1.938 3.265 355 HD2 PHE 47 2HD PHE 47 8.417 3.050 7.346 356 HE1 PHE 47 1HE PHE 47 5.710 1.161 3.701 357 HE2 PHE 47 2HE PHE 47 6.127 2.273 7.795 358 HZ PHE 47 HZ PHE 47 4.769 1.327 5.972 359 H LEU 48 H LEU 48 8.422 5.915 2.904 360 HA LEU 48 HA LEU 48 6.773 6.900 5.134 361 1HB LEU 48 2HB LEU 48 7.972 8.166 2.825 362 2HB LEU 48 1HB LEU 48 6.241 8.446 2.858 363 HG LEU 48 HG LEU 48 6.553 9.230 5.261 364 1HD1 LEU 48 1HD1 LEU 48 9.019 10.198 5.410 365 2HD1 LEU 48 2HD1 LEU 48 9.363 8.762 4.445 366 3HD1 LEU 48 3HD1 LEU 48 8.598 8.599 6.025 367 1HD2 LEU 48 1HD2 LEU 48 7.416 10.617 2.787 368 2HD2 LEU 48 2HD2 LEU 48 7.757 11.406 4.327 369 3HD2 LEU 48 3HD2 LEU 48 6.098 10.991 3.898 370 H ASN 49 H ASN 49 4.934 5.796 5.323 371 HA ASN 49 HA ASN 49 3.457 5.131 2.862 372 1HB ASN 49 2HB ASN 49 4.357 3.115 3.982 373 2HB ASN 49 1HB ASN 49 3.479 3.554 5.444 374 1HD2 ASN 49 1HD2 ASN 49 1.127 3.710 5.260 375 2HD2 ASN 49 2HD2 ASN 49 0.309 2.635 4.183 376 H CYS 50 H CYS 50 2.048 6.817 2.803 377 HA CYS 50 HA CYS 50 0.384 7.274 5.189 378 1HB CYS 50 2HB CYS 50 0.658 9.137 2.830 379 2HB CYS 50 1HB CYS 50 -0.021 9.493 4.414 380 HG CYS 50 HG CYS 50 2.805 9.915 3.677 381 H TYR 51 H TYR 51 -1.560 6.371 5.107 382 HA TYR 51 HA TYR 51 -3.033 6.415 2.580 383 1HB TYR 51 2HB TYR 51 -3.391 4.157 2.453 384 2HB TYR 51 1HB TYR 51 -1.806 4.140 3.215 385 HD1 TYR 51 1HD TYR 51 -1.510 3.216 5.388 386 HD2 TYR 51 2HD TYR 51 -5.433 3.805 3.848 387 HE1 TYR 51 1HE TYR 51 -2.432 1.889 7.244 388 HE2 TYR 51 2HE TYR 51 -6.364 2.483 5.699 389 HH TYR 51 HH TYR 51 -5.120 1.938 8.376 390 H VAL 52 H VAL 52 -5.289 6.393 2.776 391 HA VAL 52 HA VAL 52 -6.280 6.948 5.497 392 HB VAL 52 HB VAL 52 -7.446 7.994 2.912 393 1HG1 VAL 52 1HG1 VAL 52 -8.223 8.128 5.754 394 2HG1 VAL 52 2HG1 VAL 52 -9.217 8.199 4.299 395 3HG1 VAL 52 3HG1 VAL 52 -8.349 9.634 4.844 396 1HG2 VAL 52 1HG2 VAL 52 -5.074 8.810 3.944 397 2HG2 VAL 52 2HG2 VAL 52 -6.194 9.882 4.783 398 3HG2 VAL 52 3HG2 VAL 52 -6.166 9.842 3.021 399 H SER 53 H SER 53 -7.373 5.240 6.223 400 HA SER 53 HA SER 53 -8.370 3.131 4.743 401 1HB SER 53 2HB SER 53 -9.559 4.094 7.349 402 2HB SER 53 1HB SER 53 -9.561 2.450 6.715 403 HG SER 53 HG SER 53 -7.394 3.949 7.728 404 H GLY 54 H GLY 54 -10.844 2.503 4.976 405 1HA GLY 54 2HA GLY 54 -13.041 3.911 4.921 406 2HA GLY 54 1HA GLY 54 -12.281 4.581 3.485 407 H PHE 55 H PHE 55 -12.453 1.258 4.739 408 HA PHE 55 HA PHE 55 -14.366 0.324 2.919 409 1HB PHE 55 2HB PHE 55 -13.046 -0.823 1.269 410 2HB PHE 55 1HB PHE 55 -12.568 0.867 1.274 411 HD1 PHE 55 1HD PHE 55 -11.004 -1.427 0.112 412 HD2 PHE 55 2HD PHE 55 -10.887 0.402 3.954 413 HE1 PHE 55 1HE PHE 55 -8.651 -2.101 0.362 414 HE2 PHE 55 2HE PHE 55 -8.539 -0.270 4.207 415 HZ PHE 55 HZ PHE 55 -7.416 -1.522 2.410 416 H HIS 56 H HIS 56 -14.951 -1.770 3.339 417 HA HIS 56 HA HIS 56 -13.734 -2.963 5.686 418 1HB HIS 56 2HB HIS 56 -16.344 -2.927 4.520 419 2HB HIS 56 1HB HIS 56 -15.826 -4.602 4.675 420 HD1 HIS 56 1HD HIS 56 -14.536 -4.827 7.289 421 HD2 HIS 56 2HD HIS 56 -17.775 -2.289 6.709 422 HE1 HIS 56 1HE HIS 56 -15.526 -4.469 9.573 423 HE2 HIS 56 2HE HIS 56 -17.538 -3.001 9.183 424 HA PRO 57 HA PRO 57 -13.106 -6.662 2.722 425 1HB PRO 57 2HB PRO 57 -13.927 -6.524 0.160 426 2HB PRO 57 1HB PRO 57 -15.027 -6.958 1.473 427 1HG PRO 57 2HG PRO 57 -14.677 -4.331 0.084 428 2HG PRO 57 1HG PRO 57 -16.173 -5.152 0.566 429 1HD PRO 57 2HD PRO 57 -15.036 -3.123 1.997 430 2HD PRO 57 1HD PRO 57 -16.040 -4.392 2.723 431 H SER 58 H SER 58 -12.097 -6.972 0.209 432 HA SER 58 HA SER 58 -10.425 -6.433 -1.256 433 1HB SER 58 2HB SER 58 -11.329 -3.963 -0.722 434 2HB SER 58 1HB SER 58 -9.739 -3.842 0.030 435 HG SER 58 HG SER 58 -8.790 -4.299 -1.918 436 H ASP 59 H ASP 59 -8.058 -6.211 -1.260 437 HA ASP 59 HA ASP 59 -6.882 -6.751 1.387 438 1HB ASP 59 2HB ASP 59 -6.107 -8.132 -1.191 439 2HB ASP 59 1HB ASP 59 -5.465 -8.462 0.415 440 H ILE 60 H ILE 60 -5.151 -5.554 1.878 441 HA ILE 60 HA ILE 60 -3.848 -4.058 -0.302 442 HB ILE 60 HB ILE 60 -3.136 -2.478 1.589 443 1HG1 ILE 60 2HG1 ILE 60 -3.995 -4.154 3.349 444 2HG1 ILE 60 1HG1 ILE 60 -4.341 -2.449 3.601 445 1HG2 ILE 60 1HG2 ILE 60 -4.552 -1.476 0.117 446 2HG2 ILE 60 2HG2 ILE 60 -5.578 -1.470 1.551 447 3HG2 ILE 60 3HG2 ILE 60 -5.804 -2.702 0.311 448 1HD1 ILE 60 1HD1 ILE 60 -6.445 -3.740 2.106 449 2HD1 ILE 60 2HD1 ILE 60 -6.524 -2.822 3.610 450 3HD1 ILE 60 3HD1 ILE 60 -6.148 -4.543 3.648 451 H GLU 61 H GLU 61 -2.169 -5.402 -0.767 452 HA GLU 61 HA GLU 61 -0.403 -6.210 1.436 453 1HB GLU 61 2HB GLU 61 -1.158 -8.051 0.050 454 2HB GLU 61 1HB GLU 61 -0.621 -7.222 -1.404 455 1HG GLU 61 2HG GLU 61 1.661 -7.495 -0.823 456 2HG GLU 61 1HG GLU 61 1.247 -8.039 0.801 457 H VAL 62 H VAL 62 1.521 -5.290 1.689 458 HA VAL 62 HA VAL 62 2.835 -4.000 -0.581 459 HB VAL 62 HB VAL 62 2.413 -2.576 2.049 460 1HG1 VAL 62 1HG1 VAL 62 3.413 -0.654 0.847 461 2HG1 VAL 62 2HG1 VAL 62 3.770 -1.726 -0.506 462 3HG1 VAL 62 3HG1 VAL 62 4.532 -1.999 1.061 463 1HG2 VAL 62 1HG2 VAL 62 0.366 -2.237 1.131 464 2HG2 VAL 62 2HG2 VAL 62 0.931 -2.531 -0.512 465 3HG2 VAL 62 3HG2 VAL 62 1.238 -0.975 0.261 466 H ASP 63 H ASP 63 4.855 -4.696 -0.665 467 HA ASP 63 HA ASP 63 6.262 -5.273 1.854 468 1HB ASP 63 2HB ASP 63 5.444 -7.242 0.193 469 2HB ASP 63 1HB ASP 63 7.015 -6.880 -0.516 470 H LEU 64 H LEU 64 8.089 -4.178 2.073 471 HA LEU 64 HA LEU 64 9.223 -2.846 -0.276 472 1HB LEU 64 2HB LEU 64 8.958 -2.205 2.541 473 2HB LEU 64 1HB LEU 64 10.603 -1.978 1.983 474 HG LEU 64 HG LEU 64 9.146 -0.749 0.006 475 1HD1 LEU 64 1HD1 LEU 64 7.068 -0.497 0.816 476 2HD1 LEU 64 2HD1 LEU 64 7.794 0.811 1.747 477 3HD1 LEU 64 3HD1 LEU 64 7.571 -0.774 2.484 478 1HD2 LEU 64 1HD2 LEU 64 10.303 1.097 0.632 479 2HD2 LEU 64 2HD2 LEU 64 11.176 -0.087 1.604 480 3HD2 LEU 64 3HD2 LEU 64 9.914 0.900 2.341 481 H LEU 65 H LEU 65 10.670 -4.089 -1.289 482 HA LEU 65 HA LEU 65 12.561 -5.275 -1.705 483 1HB LEU 65 2HB LEU 65 13.720 -3.561 -0.459 484 2HB LEU 65 1HB LEU 65 13.292 -4.321 1.062 485 HG LEU 65 HG LEU 65 14.737 -6.200 0.598 486 1HD1 LEU 65 1HD1 LEU 65 14.684 -5.082 -2.116 487 2HD1 LEU 65 2HD1 LEU 65 14.878 -6.749 -1.574 488 3HD1 LEU 65 3HD1 LEU 65 16.261 -5.656 -1.572 489 1HD2 LEU 65 1HD2 LEU 65 15.852 -3.446 0.359 490 2HD2 LEU 65 2HD2 LEU 65 16.933 -4.830 0.202 491 3HD2 LEU 65 3HD2 LEU 65 15.993 -4.609 1.677 492 H LYS 66 H LYS 66 12.359 -5.903 1.787 493 HA LYS 66 HA LYS 66 11.661 -8.694 1.179 494 1HB LYS 66 2HB LYS 66 14.149 -8.260 1.712 495 2HB LYS 66 1HB LYS 66 13.606 -7.993 3.362 496 1HG LYS 66 2HG LYS 66 13.413 -10.171 3.754 497 2HG LYS 66 1HG LYS 66 12.530 -10.443 2.252 498 1HD LYS 66 2HD LYS 66 14.340 -11.293 1.271 499 2HD LYS 66 1HD LYS 66 15.300 -9.877 1.701 500 1HE LYS 66 2HE LYS 66 16.256 -10.908 3.451 501 2HE LYS 66 1HE LYS 66 14.750 -11.682 3.941 502 1HZ LYS 66 1HZ LYS 66 16.748 -13.073 3.024 503 2HZ LYS 66 2HZ LYS 66 16.091 -12.653 1.524 504 3HZ LYS 66 3HZ LYS 66 15.154 -13.499 2.650 505 1H SER 67 1HT SER 67 12.065 3.335 13.088 506 2H SER 67 2HT SER 67 13.249 3.030 14.292 507 3H SER 67 3HT SER 67 12.907 1.841 13.102 508 HA SER 67 HA SER 67 14.305 4.398 12.828 509 1HB SER 67 2HB SER 67 16.036 2.973 11.896 510 2HB SER 67 1HB SER 67 15.516 2.297 13.438 511 HG SER 67 HG SER 67 15.325 1.255 10.914 512 H ASN 68 H ASN 68 13.591 5.623 11.212 513 HA ASN 68 HA ASN 68 12.809 6.296 9.187 514 1HB ASN 68 2HB ASN 68 14.344 3.823 8.580 515 2HB ASN 68 1HB ASN 68 13.290 4.441 7.311 516 1HD2 ASN 68 1HD2 ASN 68 15.176 6.166 9.750 517 2HD2 ASN 68 2HD2 ASN 68 16.146 7.051 8.628 518 H PHE 69 H PHE 69 11.024 4.862 10.963 519 HA PHE 69 HA PHE 69 9.236 3.545 9.035 520 1HB PHE 69 2HB PHE 69 9.883 2.199 11.013 521 2HB PHE 69 1HB PHE 69 9.168 3.422 12.058 522 HD1 PHE 69 1HD PHE 69 6.671 3.930 11.718 523 HD2 PHE 69 2HD PHE 69 8.599 0.446 10.218 524 HE1 PHE 69 1HE PHE 69 4.490 2.805 11.537 525 HE2 PHE 69 2HE PHE 69 6.422 -0.686 10.034 526 HZ PHE 69 HZ PHE 69 4.363 0.495 10.694 527 H LEU 70 H LEU 70 7.815 4.934 8.201 528 HA LEU 70 HA LEU 70 6.369 6.698 10.054 529 1HB LEU 70 2HB LEU 70 8.063 7.994 8.789 530 2HB LEU 70 1HB LEU 70 7.309 7.478 7.293 531 HG LEU 70 HG LEU 70 5.389 8.793 7.669 532 1HD1 LEU 70 1HD1 LEU 70 6.348 9.002 10.512 533 2HD1 LEU 70 2HD1 LEU 70 4.839 8.313 9.915 534 3HD1 LEU 70 3HD1 LEU 70 5.102 10.054 9.840 535 1HD2 LEU 70 1HD2 LEU 70 6.328 11.061 8.186 536 2HD2 LEU 70 2HD2 LEU 70 7.194 10.161 6.941 537 3HD2 LEU 70 3HD2 LEU 70 7.854 10.267 8.574 538 H ASN 71 H ASN 71 5.148 4.491 9.680 539 HA ASN 71 HA ASN 71 3.598 4.377 7.253 540 1HB ASN 71 2HB ASN 71 4.322 2.354 8.587 541 2HB ASN 71 1HB ASN 71 3.133 2.821 9.800 542 1HD2 ASN 71 1HD2 ASN 71 1.469 1.507 9.661 543 2HD2 ASN 71 2HD2 ASN 71 0.686 1.007 8.205 544 H CYS 72 H CYS 72 2.694 6.543 7.430 545 HA CYS 72 HA CYS 72 0.927 7.243 9.542 546 1HB CYS 72 2HB CYS 72 2.086 8.855 7.984 547 2HB CYS 72 1HB CYS 72 0.940 8.372 6.739 548 HG CYS 72 HG CYS 72 -0.165 10.399 7.725 549 H TYR 73 H TYR 73 -1.077 6.582 9.902 550 HA TYR 73 HA TYR 73 -2.691 5.628 7.637 551 1HB TYR 73 2HB TYR 73 -3.644 4.041 9.590 552 2HB TYR 73 1HB TYR 73 -2.343 3.556 8.511 553 HD1 TYR 73 1HD TYR 73 -0.644 2.431 9.570 554 HD2 TYR 73 2HD TYR 73 -2.606 5.579 11.653 555 HE1 TYR 73 1HE TYR 73 0.826 2.058 11.505 556 HE2 TYR 73 2HE TYR 73 -1.141 5.215 13.595 557 HH TYR 73 HH TYR 73 1.670 3.466 13.477 558 H VAL 74 H VAL 74 -4.888 6.047 7.741 559 HA VAL 74 HA VAL 74 -5.748 7.768 9.975 560 HB VAL 74 HB VAL 74 -6.727 8.009 7.132 561 1HG1 VAL 74 1HG1 VAL 74 -7.338 10.336 8.113 562 2HG1 VAL 74 2HG1 VAL 74 -7.195 9.518 9.670 563 3HG1 VAL 74 3HG1 VAL 74 -8.360 8.945 8.476 564 1HG2 VAL 74 1HG2 VAL 74 -5.294 9.909 6.853 565 2HG2 VAL 74 2HG2 VAL 74 -4.299 8.540 7.351 566 3HG2 VAL 74 3HG2 VAL 74 -4.728 9.790 8.519 567 H SER 75 H SER 75 -7.958 7.695 10.559 568 HA SER 75 HA SER 75 -9.954 6.725 11.012 569 1HB SER 75 2HB SER 75 -10.842 6.688 8.912 570 2HB SER 75 1HB SER 75 -9.451 5.857 8.220 571 HG SER 75 HG SER 75 -11.312 4.528 8.265 572 H GLY 76 H GLY 76 -8.660 3.901 9.298 573 1HA GLY 76 2HA GLY 76 -7.370 2.461 11.150 574 2HA GLY 76 1HA GLY 76 -9.029 2.324 11.714 575 H PHE 77 H PHE 77 -7.885 0.020 11.174 576 HA PHE 77 HA PHE 77 -9.474 -1.058 9.088 577 1HB PHE 77 2HB PHE 77 -7.770 -1.774 7.543 578 2HB PHE 77 1HB PHE 77 -7.645 -0.030 7.741 579 HD1 PHE 77 1HD PHE 77 -6.083 0.332 10.131 580 HD2 PHE 77 2HD PHE 77 -5.698 -2.622 7.093 581 HE1 PHE 77 1HE PHE 77 -3.698 0.094 10.671 582 HE2 PHE 77 2HE PHE 77 -3.308 -2.867 7.630 583 HZ PHE 77 HZ PHE 77 -2.306 -1.506 9.420 584 H HIS 78 H HIS 78 -9.234 -3.400 8.885 585 HA HIS 78 HA HIS 78 -7.505 -4.942 10.448 586 1HB HIS 78 2HB HIS 78 -8.482 -4.122 12.433 587 2HB HIS 78 1HB HIS 78 -10.109 -4.200 11.772 588 HD1 HIS 78 1HD HIS 78 -11.185 -5.771 13.402 589 HD2 HIS 78 2HD HIS 78 -7.608 -7.250 11.893 590 HE1 HIS 78 1HE HIS 78 -11.037 -8.141 14.226 591 HE2 HIS 78 2HE HIS 78 -8.909 -9.045 13.226 592 HA PRO 79 HA PRO 79 -11.347 -7.730 9.146 593 1HB PRO 79 2HB PRO 79 -13.009 -6.300 7.406 594 2HB PRO 79 1HB PRO 79 -13.382 -6.736 9.076 595 1HG PRO 79 2HG PRO 79 -12.347 -4.167 7.971 596 2HG PRO 79 1HG PRO 79 -13.489 -4.444 9.300 597 1HD PRO 79 2HD PRO 79 -10.954 -3.751 9.776 598 2HD PRO 79 1HD PRO 79 -11.796 -4.915 10.820 599 H SER 80 H SER 80 -10.116 -5.161 7.051 600 HA SER 80 HA SER 80 -10.121 -6.782 4.690 601 1HB SER 80 2HB SER 80 -9.158 -4.931 3.588 602 2HB SER 80 1HB SER 80 -10.193 -4.213 4.821 603 HG SER 80 HG SER 80 -8.203 -3.203 4.889 604 H ASP 81 H ASP 81 -8.201 -7.439 3.510 605 HA ASP 81 HA ASP 81 -6.297 -8.722 5.238 606 1HB ASP 81 2HB ASP 81 -7.307 -9.308 2.764 607 2HB ASP 81 1HB ASP 81 -5.709 -8.695 2.354 608 H ILE 82 H ILE 82 -4.585 -7.717 6.059 609 HA ILE 82 HA ILE 82 -3.325 -5.587 4.462 610 HB ILE 82 HB ILE 82 -2.870 -4.339 6.329 611 1HG1 ILE 82 2HG1 ILE 82 -1.634 -6.082 7.568 612 2HG1 ILE 82 1HG1 ILE 82 -2.702 -5.166 8.623 613 1HG2 ILE 82 1HG2 ILE 82 -5.385 -5.860 6.952 614 2HG2 ILE 82 2HG2 ILE 82 -5.220 -4.297 6.154 615 3HG2 ILE 82 3HG2 ILE 82 -4.862 -4.452 7.873 616 1HD1 ILE 82 1HD1 ILE 82 -2.714 -7.563 9.115 617 2HD1 ILE 82 2HD1 ILE 82 -3.313 -7.883 7.489 618 3HD1 ILE 82 3HD1 ILE 82 -4.302 -6.972 8.628 619 H GLU 83 H GLU 83 -1.094 -5.473 4.304 620 HA GLU 83 HA GLU 83 0.573 -7.439 5.598 621 1HB GLU 83 2HB GLU 83 -0.519 -8.485 3.470 622 2HB GLU 83 1HB GLU 83 0.641 -7.491 2.602 623 1HG GLU 83 2HG GLU 83 2.015 -8.851 4.682 624 2HG GLU 83 1HG GLU 83 1.032 -10.020 3.802 625 H VAL 84 H VAL 84 0.892 -4.923 6.087 626 HA VAL 84 HA VAL 84 2.592 -3.571 4.192 627 HB VAL 84 HB VAL 84 2.088 -2.826 7.074 628 1HG1 VAL 84 1HG1 VAL 84 2.441 -0.503 5.794 629 2HG1 VAL 84 2HG1 VAL 84 3.443 -1.542 4.783 630 3HG1 VAL 84 3HG1 VAL 84 3.768 -1.417 6.512 631 1HG2 VAL 84 1HG2 VAL 84 0.074 -1.984 6.567 632 2HG2 VAL 84 2HG2 VAL 84 0.142 -3.049 5.164 633 3HG2 VAL 84 3HG2 VAL 84 0.623 -1.360 5.011 634 H ASP 85 H ASP 85 4.767 -3.468 4.171 635 HA ASP 85 HA ASP 85 6.310 -4.359 6.465 636 1HB ASP 85 2HB ASP 85 6.379 -5.761 3.791 637 2HB ASP 85 1HB ASP 85 7.671 -5.902 4.980 638 H LEU 86 H LEU 86 8.252 -3.356 6.617 639 HA LEU 86 HA LEU 86 9.148 -1.775 4.304 640 1HB LEU 86 2HB LEU 86 10.067 -0.378 6.516 641 2HB LEU 86 1HB LEU 86 8.761 0.091 5.449 642 HG LEU 86 HG LEU 86 8.116 0.272 7.797 643 1HD1 LEU 86 1HD1 LEU 86 6.004 -0.384 7.408 644 2HD1 LEU 86 2HD1 LEU 86 6.478 -2.030 6.989 645 3HD1 LEU 86 3HD1 LEU 86 6.621 -0.741 5.795 646 1HD2 LEU 86 1HD2 LEU 86 9.341 -2.344 7.946 647 2HD2 LEU 86 2HD2 LEU 86 7.717 -2.344 8.632 648 3HD2 LEU 86 3HD2 LEU 86 8.928 -1.215 9.235 649 H LEU 87 H LEU 87 10.764 -3.157 3.680 650 HA LEU 87 HA LEU 87 12.823 -4.124 3.662 651 1HB LEU 87 2HB LEU 87 13.159 -1.995 5.742 652 2HB LEU 87 1HB LEU 87 14.455 -3.137 5.443 653 HG LEU 87 HG LEU 87 14.700 -0.981 4.222 654 1HD1 LEU 87 1HD1 LEU 87 14.629 -3.641 2.917 655 2HD1 LEU 87 2HD1 LEU 87 15.986 -2.551 3.201 656 3HD1 LEU 87 3HD1 LEU 87 14.854 -2.228 1.886 657 1HD2 LEU 87 1HD2 LEU 87 12.126 -0.944 3.788 658 2HD2 LEU 87 2HD2 LEU 87 12.554 -1.876 2.353 659 3HD2 LEU 87 3HD2 LEU 87 13.237 -0.268 2.595 660 H LYS 88 H LYS 88 12.432 -6.206 4.209 661 HA LYS 88 HA LYS 88 12.495 -8.123 5.420 662 1HB LYS 88 2HB LYS 88 14.225 -8.264 6.846 663 2HB LYS 88 1HB LYS 88 14.507 -6.574 6.462 664 1HG LYS 88 2HG LYS 88 12.882 -6.117 8.434 665 2HG LYS 88 1HG LYS 88 13.257 -7.779 8.892 666 1HD LYS 88 2HD LYS 88 15.536 -7.299 9.190 667 2HD LYS 88 1HD LYS 88 15.418 -5.778 8.302 668 1HE LYS 88 2HE LYS 88 13.654 -5.896 10.622 669 2HE LYS 88 1HE LYS 88 15.358 -6.064 11.040 670 1HZ LYS 88 1HZ LYS 88 15.705 -4.029 9.594 671 2HZ LYS 88 2HZ LYS 88 14.934 -3.781 11.080 672 3HZ LYS 88 3HZ LYS 88 14.027 -3.817 9.654 Start of MODEL 6 1 1H SER 1 1HT SER 1 14.943 1.574 -3.478 2 2H SER 1 2HT SER 1 13.931 0.187 -3.530 3 3H SER 1 3HT SER 1 13.325 1.671 -2.920 4 HA SER 1 HA SER 1 14.281 1.307 -5.673 5 1HB SER 1 2HB SER 1 11.995 0.181 -4.458 6 2HB SER 1 1HB SER 1 11.419 1.557 -5.399 7 HG SER 1 HG SER 1 12.756 0.626 -7.149 8 H ASN 2 H ASN 2 12.247 2.866 -6.761 9 HA ASN 2 HA ASN 2 12.036 5.371 -5.380 10 1HB ASN 2 2HB ASN 2 14.359 5.531 -6.155 11 2HB ASN 2 1HB ASN 2 13.838 5.209 -7.807 12 1HD2 ASN 2 1HD2 ASN 2 12.792 6.807 -8.967 13 2HD2 ASN 2 2HD2 ASN 2 12.768 8.458 -8.456 14 H PHE 3 H PHE 3 9.863 5.357 -5.784 15 HA PHE 3 HA PHE 3 9.015 6.255 -8.346 16 1HB PHE 3 2HB PHE 3 7.804 4.448 -9.168 17 2HB PHE 3 1HB PHE 3 9.259 3.684 -8.550 18 HD1 PHE 3 1HD PHE 3 8.176 4.041 -5.557 19 HD2 PHE 3 2HD PHE 3 6.657 2.312 -9.139 20 HE1 PHE 3 1HE PHE 3 6.785 2.510 -4.227 21 HE2 PHE 3 2HE PHE 3 5.267 0.778 -7.812 22 HZ PHE 3 HZ PHE 3 5.328 0.876 -5.353 23 H LEU 4 H LEU 4 6.349 5.864 -8.289 24 HA LEU 4 HA LEU 4 5.527 6.864 -5.646 25 1HB LEU 4 2HB LEU 4 4.195 8.537 -6.585 26 2HB LEU 4 1HB LEU 4 5.693 8.607 -7.491 27 HG LEU 4 HG LEU 4 3.116 7.349 -8.435 28 1HD1 LEU 4 1HD1 LEU 4 4.383 9.617 -9.836 29 2HD1 LEU 4 2HD1 LEU 4 3.611 9.972 -8.290 30 3HD1 LEU 4 3HD1 LEU 4 2.677 9.237 -9.594 31 1HD2 LEU 4 1HD2 LEU 4 5.887 7.367 -9.523 32 2HD2 LEU 4 2HD2 LEU 4 4.532 7.476 -10.647 33 3HD2 LEU 4 3HD2 LEU 4 4.667 6.094 -9.561 34 H ASN 5 H ASN 5 4.107 5.595 -4.707 35 HA ASN 5 HA ASN 5 2.183 4.125 -6.382 36 1HB ASN 5 2HB ASN 5 4.203 2.945 -4.948 37 2HB ASN 5 1HB ASN 5 2.860 2.863 -3.814 38 1HD2 ASN 5 1HD2 ASN 5 0.807 2.000 -4.718 39 2HD2 ASN 5 2HD2 ASN 5 0.916 0.682 -5.829 40 H CYS 6 H CYS 6 1.173 6.369 -5.716 41 HA CYS 6 HA CYS 6 -0.544 5.790 -3.417 42 1HB CYS 6 2HB CYS 6 -0.394 8.107 -2.632 43 2HB CYS 6 1HB CYS 6 1.185 7.330 -2.614 44 HG CYS 6 HG CYS 6 0.386 9.367 -4.827 45 H TYR 7 H TYR 7 -2.630 6.571 -3.539 46 HA TYR 7 HA TYR 7 -3.420 8.229 -5.782 47 1HB TYR 7 2HB TYR 7 -5.211 6.556 -6.440 48 2HB TYR 7 1HB TYR 7 -3.563 6.144 -6.898 49 HD1 TYR 7 1HD TYR 7 -2.293 4.692 -5.010 50 HD2 TYR 7 2HD TYR 7 -6.507 4.868 -5.575 51 HE1 TYR 7 1HE TYR 7 -2.528 2.509 -3.904 52 HE2 TYR 7 2HE TYR 7 -6.751 2.685 -4.468 53 HH TYR 7 HH TYR 7 -4.057 0.671 -3.769 54 H VAL 8 H VAL 8 -5.058 9.530 -5.248 55 HA VAL 8 HA VAL 8 -6.364 9.072 -2.665 56 HB VAL 8 HB VAL 8 -5.229 11.222 -2.932 57 1HG1 VAL 8 1HG1 VAL 8 -7.119 12.444 -4.757 58 2HG1 VAL 8 2HG1 VAL 8 -6.204 11.146 -5.523 59 3HG1 VAL 8 3HG1 VAL 8 -5.355 12.489 -4.758 60 1HG2 VAL 8 1HG2 VAL 8 -7.066 11.245 -1.433 61 2HG2 VAL 8 2HG2 VAL 8 -8.232 11.319 -2.754 62 3HG2 VAL 8 3HG2 VAL 8 -7.199 12.706 -2.411 63 H SER 9 H SER 9 -8.095 7.781 -3.025 64 HA SER 9 HA SER 9 -10.154 7.115 -3.715 65 1HB SER 9 2HB SER 9 -10.894 9.755 -4.829 66 2HB SER 9 1HB SER 9 -11.749 8.738 -3.669 67 HG SER 9 HG SER 9 -10.695 9.659 -2.056 68 H GLY 10 H GLY 10 -10.007 5.745 -5.389 69 1HA GLY 10 2HA GLY 10 -10.895 6.127 -7.878 70 2HA GLY 10 1HA GLY 10 -9.246 6.716 -8.024 71 H PHE 11 H PHE 11 -10.889 4.259 -8.979 72 HA PHE 11 HA PHE 11 -8.660 2.444 -8.886 73 1HB PHE 11 2HB PHE 11 -10.195 2.127 -6.759 74 2HB PHE 11 1HB PHE 11 -11.211 1.244 -7.895 75 HD1 PHE 11 1HD PHE 11 -7.810 1.392 -6.444 76 HD2 PHE 11 2HD PHE 11 -10.689 -0.948 -8.525 77 HE1 PHE 11 1HE PHE 11 -6.400 -0.602 -6.143 78 HE2 PHE 11 2HE PHE 11 -9.285 -2.947 -8.228 79 HZ PHE 11 HZ PHE 11 -7.138 -2.776 -7.034 80 H HIS 12 H HIS 12 -8.655 2.529 -11.106 81 HA HIS 12 HA HIS 12 -11.051 2.004 -12.621 82 1HB HIS 12 2HB HIS 12 -9.080 3.525 -13.299 83 2HB HIS 12 1HB HIS 12 -8.265 2.034 -13.755 84 HD1 HIS 12 1HD HIS 12 -9.686 4.560 -15.476 85 HD2 HIS 12 2HD HIS 12 -10.637 0.516 -15.342 86 HE1 HIS 12 1HE HIS 12 -10.926 4.088 -17.613 87 HE2 HIS 12 2HE HIS 12 -11.408 1.617 -17.551 88 HA PRO 13 HA PRO 13 -8.825 -2.133 -13.488 89 1HB PRO 13 2HB PRO 13 -6.578 -2.785 -12.200 90 2HB PRO 13 1HB PRO 13 -6.550 -1.697 -13.593 91 1HG PRO 13 2HG PRO 13 -6.410 -1.047 -10.679 92 2HG PRO 13 1HG PRO 13 -5.503 -0.342 -12.028 93 1HD PRO 13 2HD PRO 13 -7.739 0.793 -10.869 94 2HD PRO 13 1HD PRO 13 -7.162 1.147 -12.507 95 H SER 14 H SER 14 -8.240 -4.256 -12.200 96 HA SER 14 HA SER 14 -9.800 -4.213 -9.699 97 1HB SER 14 2HB SER 14 -9.796 -6.065 -12.021 98 2HB SER 14 1HB SER 14 -9.963 -6.799 -10.427 99 HG SER 14 HG SER 14 -11.719 -5.201 -11.838 100 H ASP 15 H ASP 15 -7.373 -6.247 -11.349 101 HA ASP 15 HA ASP 15 -6.085 -6.658 -8.733 102 1HB ASP 15 2HB ASP 15 -5.159 -8.740 -9.687 103 2HB ASP 15 1HB ASP 15 -6.920 -8.736 -9.700 104 H ILE 16 H ILE 16 -4.496 -5.192 -8.579 105 HA ILE 16 HA ILE 16 -2.651 -4.925 -10.865 106 HB ILE 16 HB ILE 16 -2.044 -2.694 -9.733 107 1HG1 ILE 16 2HG1 ILE 16 -4.853 -2.797 -8.686 108 2HG1 ILE 16 1HG1 ILE 16 -3.531 -3.410 -7.699 109 1HG2 ILE 16 1HG2 ILE 16 -3.436 -1.584 -11.185 110 2HG2 ILE 16 2HG2 ILE 16 -4.810 -2.637 -10.846 111 3HG2 ILE 16 3HG2 ILE 16 -3.482 -3.216 -11.852 112 1HD1 ILE 16 1HD1 ILE 16 -3.891 -1.182 -7.036 113 2HD1 ILE 16 2HD1 ILE 16 -3.948 -0.615 -8.705 114 3HD1 ILE 16 3HD1 ILE 16 -2.423 -1.169 -8.014 115 H GLU 17 H GLU 17 -0.735 -5.809 -10.531 116 HA GLU 17 HA GLU 17 0.309 -5.920 -7.777 117 1HB GLU 17 2HB GLU 17 1.607 -7.939 -8.611 118 2HB GLU 17 1HB GLU 17 -0.127 -8.155 -8.410 119 1HG GLU 17 2HG GLU 17 1.020 -7.403 -11.066 120 2HG GLU 17 1HG GLU 17 1.016 -9.080 -10.521 121 H VAL 18 H VAL 18 1.392 -3.930 -8.009 122 HA VAL 18 HA VAL 18 3.189 -3.387 -10.141 123 HB VAL 18 HB VAL 18 3.252 -2.160 -7.384 124 1HG1 VAL 18 1HG1 VAL 18 5.132 -1.355 -8.414 125 2HG1 VAL 18 2HG1 VAL 18 3.947 -0.167 -8.959 126 3HG1 VAL 18 3HG1 VAL 18 4.435 -1.481 -10.029 127 1HG2 VAL 18 1HG2 VAL 18 1.869 -0.354 -8.713 128 2HG2 VAL 18 2HG2 VAL 18 1.072 -1.719 -7.930 129 3HG2 VAL 18 3HG2 VAL 18 1.383 -1.756 -9.666 130 H ASP 19 H ASP 19 5.447 -3.437 -10.177 131 HA ASP 19 HA ASP 19 6.860 -4.703 -7.972 132 1HB ASP 19 2HB ASP 19 6.085 -6.590 -9.366 133 2HB ASP 19 1HB ASP 19 6.896 -5.881 -10.760 134 H LEU 20 H LEU 20 9.102 -4.361 -8.000 135 HA LEU 20 HA LEU 20 10.199 -2.742 -10.172 136 1HB LEU 20 2HB LEU 20 9.280 -1.556 -7.860 137 2HB LEU 20 1HB LEU 20 10.991 -1.755 -7.535 138 HG LEU 20 HG LEU 20 10.679 0.421 -8.456 139 1HD1 LEU 20 1HD1 LEU 20 11.919 0.200 -10.657 140 2HD1 LEU 20 2HD1 LEU 20 11.845 -1.543 -10.406 141 3HD1 LEU 20 3HD1 LEU 20 12.686 -0.520 -9.242 142 1HD2 LEU 20 1HD2 LEU 20 8.478 -0.482 -9.647 143 2HD2 LEU 20 2HD2 LEU 20 9.574 -0.551 -11.027 144 3HD2 LEU 20 3HD2 LEU 20 9.314 0.975 -10.184 145 H LEU 21 H LEU 21 11.933 -3.829 -10.806 146 HA LEU 21 HA LEU 21 13.265 -5.791 -9.328 147 1HB LEU 21 2HB LEU 21 13.328 -5.578 -11.792 148 2HB LEU 21 1HB LEU 21 14.347 -4.161 -11.626 149 HG LEU 21 HG LEU 21 15.846 -5.900 -10.249 150 1HD1 LEU 21 1HD1 LEU 21 14.069 -7.528 -11.997 151 2HD1 LEU 21 2HD1 LEU 21 14.715 -7.886 -10.396 152 3HD1 LEU 21 3HD1 LEU 21 15.759 -8.002 -11.813 153 1HD2 LEU 21 1HD2 LEU 21 17.299 -5.782 -12.002 154 2HD2 LEU 21 2HD2 LEU 21 16.173 -4.510 -12.476 155 3HD2 LEU 21 3HD2 LEU 21 16.052 -6.111 -13.205 156 H LYS 22 H LYS 22 14.709 -2.689 -10.336 157 HA LYS 22 HA LYS 22 16.544 -2.835 -8.082 158 1HB LYS 22 2HB LYS 22 17.686 -0.959 -9.131 159 2HB LYS 22 1HB LYS 22 17.404 -2.234 -10.309 160 1HG LYS 22 2HG LYS 22 15.312 -0.173 -10.161 161 2HG LYS 22 1HG LYS 22 16.887 0.375 -10.740 162 1HD LYS 22 2HD LYS 22 16.767 -0.857 -12.644 163 2HD LYS 22 1HD LYS 22 15.859 -2.159 -11.872 164 1HE LYS 22 2HE LYS 22 14.622 -0.793 -13.613 165 2HE LYS 22 1HE LYS 22 13.825 -0.985 -12.053 166 1HZ LYS 22 1HZ LYS 22 15.509 1.372 -12.601 167 2HZ LYS 22 2HZ LYS 22 14.266 1.196 -11.469 168 3HZ LYS 22 3HZ LYS 22 13.898 1.328 -13.114 169 1H SER 23 1HT SER 23 17.113 8.759 -4.385 170 2H SER 23 2HT SER 23 15.818 8.211 -5.369 171 3H SER 23 3HT SER 23 17.263 7.292 -5.260 172 HA SER 23 HA SER 23 15.763 6.196 -3.935 173 1HB SER 23 2HB SER 23 17.662 7.995 -2.443 174 2HB SER 23 1HB SER 23 16.676 6.812 -1.584 175 HG SER 23 HG SER 23 17.806 5.218 -2.439 176 H ASN 24 H ASN 24 13.608 6.661 -4.033 177 HA ASN 24 HA ASN 24 12.507 8.219 -1.888 178 1HB ASN 24 2HB ASN 24 13.005 9.934 -3.667 179 2HB ASN 24 1HB ASN 24 11.850 9.101 -4.704 180 1HD2 ASN 24 1HD2 ASN 24 10.841 11.250 -4.673 181 2HD2 ASN 24 2HD2 ASN 24 9.734 11.617 -3.400 182 H PHE 25 H PHE 25 11.159 6.694 -1.165 183 HA PHE 25 HA PHE 25 9.535 5.200 -3.097 184 1HB PHE 25 2HB PHE 25 10.748 3.765 -1.598 185 2HB PHE 25 1HB PHE 25 10.199 4.674 -0.195 186 HD1 PHE 25 1HD PHE 25 8.288 4.025 0.949 187 HD2 PHE 25 2HD PHE 25 8.962 2.562 -2.990 188 HE1 PHE 25 1HE PHE 25 6.364 2.511 1.186 189 HE2 PHE 25 2HE PHE 25 7.038 1.045 -2.759 190 HZ PHE 25 HZ PHE 25 5.736 1.019 -0.670 191 H LEU 26 H LEU 26 7.489 5.751 -3.398 192 HA LEU 26 HA LEU 26 6.104 7.231 -1.256 193 1HB LEU 26 2HB LEU 26 6.395 7.755 -4.104 194 2HB LEU 26 1HB LEU 26 4.713 7.724 -3.610 195 HG LEU 26 HG LEU 26 5.640 9.320 -1.689 196 1HD1 LEU 26 1HD1 LEU 26 7.305 10.403 -3.866 197 2HD1 LEU 26 2HD1 LEU 26 7.948 8.994 -3.023 198 3HD1 LEU 26 3HD1 LEU 26 7.543 10.453 -2.119 199 1HD2 LEU 26 1HD2 LEU 26 4.878 10.037 -4.508 200 2HD2 LEU 26 2HD2 LEU 26 5.080 11.241 -3.235 201 3HD2 LEU 26 3HD2 LEU 26 3.849 9.988 -3.076 202 H ASN 27 H ASN 27 4.459 6.197 -0.353 203 HA ASN 27 HA ASN 27 2.742 4.472 -1.947 204 1HB ASN 27 2HB ASN 27 4.460 2.931 -1.127 205 2HB ASN 27 1HB ASN 27 4.184 3.479 0.524 206 1HD2 ASN 27 1HD2 ASN 27 1.915 2.671 -2.073 207 2HD2 ASN 27 2HD2 ASN 27 1.091 1.429 -1.201 208 H CYS 28 H CYS 28 0.914 5.649 -1.590 209 HA CYS 28 HA CYS 28 -0.161 5.629 1.111 210 1HB CYS 28 2HB CYS 28 -0.070 8.265 -0.344 211 2HB CYS 28 1HB CYS 28 -0.509 7.962 1.330 212 HG CYS 28 HG CYS 28 2.421 7.867 0.286 213 H TYR 29 H TYR 29 -2.319 5.338 1.122 214 HA TYR 29 HA TYR 29 -3.815 6.001 -1.318 215 1HB TYR 29 2HB TYR 29 -4.671 3.915 -1.613 216 2HB TYR 29 1HB TYR 29 -3.191 3.436 -0.800 217 HD1 TYR 29 1HD TYR 29 -3.390 1.880 0.886 218 HD2 TYR 29 2HD TYR 29 -6.689 4.448 0.094 219 HE1 TYR 29 1HE TYR 29 -4.718 0.691 2.582 220 HE2 TYR 29 2HE TYR 29 -8.021 3.271 1.791 221 HH TYR 29 HH TYR 29 -7.418 1.855 3.948 222 H VAL 30 H VAL 30 -5.636 7.115 -0.979 223 HA VAL 30 HA VAL 30 -6.745 7.154 1.751 224 HB VAL 30 HB VAL 30 -6.508 9.563 -0.054 225 1HG1 VAL 30 1HG1 VAL 30 -8.128 9.029 2.224 226 2HG1 VAL 30 2HG1 VAL 30 -7.993 10.518 1.288 227 3HG1 VAL 30 3HG1 VAL 30 -6.925 10.242 2.664 228 1HG2 VAL 30 1HG2 VAL 30 -4.964 10.224 1.999 229 2HG2 VAL 30 2HG2 VAL 30 -4.334 9.362 0.595 230 3HG2 VAL 30 3HG2 VAL 30 -4.738 8.476 2.066 231 H SER 31 H SER 31 -8.778 6.497 1.786 232 HA SER 31 HA SER 31 -10.883 5.926 1.122 233 1HB SER 31 2HB SER 31 -10.777 8.555 -0.367 234 2HB SER 31 1HB SER 31 -12.214 7.732 0.239 235 HG SER 31 HG SER 31 -11.416 8.069 2.356 236 H GLY 32 H GLY 32 -12.436 5.957 -0.940 237 1HA GLY 32 2HA GLY 32 -12.830 4.811 -2.899 238 2HA GLY 32 1HA GLY 32 -11.588 5.876 -3.536 239 H PHE 33 H PHE 33 -12.344 2.682 -2.433 240 HA PHE 33 HA PHE 33 -9.735 1.771 -3.441 241 1HB PHE 33 2HB PHE 33 -10.516 1.658 -0.783 242 2HB PHE 33 1HB PHE 33 -10.855 0.037 -1.382 243 HD1 PHE 33 1HD PHE 33 -8.137 2.563 -1.835 244 HD2 PHE 33 2HD PHE 33 -9.195 -1.469 -0.972 245 HE1 PHE 33 1HE PHE 33 -5.753 1.988 -1.624 246 HE2 PHE 33 2HE PHE 33 -6.815 -2.051 -0.759 247 HZ PHE 33 HZ PHE 33 -5.089 -0.324 -1.084 248 H HIS 34 H HIS 34 -13.086 0.866 -2.709 249 HA HIS 34 HA HIS 34 -14.542 -0.541 -3.742 250 1HB HIS 34 2HB HIS 34 -12.554 -0.330 -6.016 251 2HB HIS 34 1HB HIS 34 -14.142 -1.079 -6.144 252 HD1 HIS 34 1HD HIS 34 -15.440 0.490 -7.560 253 HD2 HIS 34 2HD HIS 34 -13.308 2.468 -4.593 254 HE1 HIS 34 1HE HIS 34 -16.140 2.900 -7.723 255 HE2 HIS 34 2HE HIS 34 -14.762 4.094 -5.983 256 HA PRO 35 HA PRO 35 -13.138 -4.550 -2.480 257 1HB PRO 35 2HB PRO 35 -15.145 -5.512 -4.464 258 2HB PRO 35 1HB PRO 35 -14.940 -5.957 -2.766 259 1HG PRO 35 2HG PRO 35 -16.908 -4.329 -3.510 260 2HG PRO 35 1HG PRO 35 -16.022 -4.054 -1.998 261 1HD PRO 35 2HD PRO 35 -15.824 -2.612 -4.604 262 2HD PRO 35 1HD PRO 35 -15.668 -1.986 -2.949 263 H SER 36 H SER 36 -11.072 -4.512 -3.443 264 HA SER 36 HA SER 36 -10.853 -6.194 -5.805 265 1HB SER 36 2HB SER 36 -9.320 -3.601 -5.757 266 2HB SER 36 1HB SER 36 -9.578 -4.699 -7.111 267 HG SER 36 HG SER 36 -11.566 -3.117 -5.843 268 H ASP 37 H ASP 37 -8.153 -5.941 -6.282 269 HA ASP 37 HA ASP 37 -6.821 -6.384 -3.715 270 1HB ASP 37 2HB ASP 37 -7.596 -8.595 -4.478 271 2HB ASP 37 1HB ASP 37 -6.747 -8.362 -6.003 272 H ILE 38 H ILE 38 -4.655 -5.906 -3.695 273 HA ILE 38 HA ILE 38 -3.257 -5.362 -6.172 274 HB ILE 38 HB ILE 38 -2.819 -3.108 -5.899 275 1HG1 ILE 38 2HG1 ILE 38 -3.827 -2.120 -3.531 276 2HG1 ILE 38 1HG1 ILE 38 -3.163 -3.674 -3.041 277 1HG2 ILE 38 1HG2 ILE 38 -5.617 -3.438 -4.831 278 2HG2 ILE 38 2HG2 ILE 38 -5.142 -3.435 -6.529 279 3HG2 ILE 38 3HG2 ILE 38 -4.960 -1.973 -5.559 280 1HD1 ILE 38 1HD1 ILE 38 -1.796 -1.242 -3.998 281 2HD1 ILE 38 2HD1 ILE 38 -1.109 -2.792 -4.482 282 3HD1 ILE 38 3HD1 ILE 38 -1.313 -2.413 -2.771 283 H GLU 39 H GLU 39 -1.001 -5.361 -5.951 284 HA GLU 39 HA GLU 39 0.087 -5.733 -3.265 285 1HB GLU 39 2HB GLU 39 -0.454 -7.992 -4.092 286 2HB GLU 39 1HB GLU 39 0.542 -7.704 -5.512 287 1HG GLU 39 2HG GLU 39 2.342 -8.381 -4.429 288 2HG GLU 39 1HG GLU 39 2.087 -7.163 -3.181 289 H VAL 40 H VAL 40 1.967 -4.717 -3.006 290 HA VAL 40 HA VAL 40 3.368 -3.786 -5.425 291 HB VAL 40 HB VAL 40 3.482 -2.577 -2.658 292 1HG1 VAL 40 1HG1 VAL 40 5.499 -2.100 -3.809 293 2HG1 VAL 40 2HG1 VAL 40 4.496 -0.656 -3.942 294 3HG1 VAL 40 3HG1 VAL 40 4.642 -1.757 -5.312 295 1HG2 VAL 40 1HG2 VAL 40 2.137 -0.750 -3.615 296 2HG2 VAL 40 2HG2 VAL 40 1.267 -2.285 -3.608 297 3HG2 VAL 40 3HG2 VAL 40 1.968 -1.674 -5.108 298 H ASP 41 H ASP 41 5.247 -4.711 -5.837 299 HA ASP 41 HA ASP 41 6.789 -5.837 -3.592 300 1HB ASP 41 2HB ASP 41 5.756 -7.455 -5.308 301 2HB ASP 41 1HB ASP 41 6.967 -6.838 -6.427 302 H LEU 42 H LEU 42 8.120 -4.092 -3.238 303 HA LEU 42 HA LEU 42 9.800 -3.233 -5.498 304 1HB LEU 42 2HB LEU 42 8.628 -1.825 -3.194 305 2HB LEU 42 1HB LEU 42 10.298 -1.414 -3.528 306 HG LEU 42 HG LEU 42 9.462 -1.057 -5.969 307 1HD1 LEU 42 1HD1 LEU 42 6.883 -0.455 -4.571 308 2HD1 LEU 42 2HD1 LEU 42 7.182 -2.038 -5.290 309 3HD1 LEU 42 3HD1 LEU 42 7.209 -0.591 -6.299 310 1HD2 LEU 42 1HD2 LEU 42 10.107 0.611 -4.003 311 2HD2 LEU 42 2HD2 LEU 42 8.405 1.038 -4.161 312 3HD2 LEU 42 3HD2 LEU 42 9.480 1.176 -5.550 313 H LEU 43 H LEU 43 11.769 -4.074 -5.529 314 HA LEU 43 HA LEU 43 12.905 -5.218 -3.109 315 1HB LEU 43 2HB LEU 43 13.039 -5.823 -5.855 316 2HB LEU 43 1HB LEU 43 14.658 -5.335 -5.392 317 HG LEU 43 HG LEU 43 14.394 -7.750 -5.215 318 1HD1 LEU 43 1HD1 LEU 43 14.457 -6.897 -2.372 319 2HD1 LEU 43 2HD1 LEU 43 15.657 -6.218 -3.472 320 3HD1 LEU 43 3HD1 LEU 43 15.545 -7.965 -3.260 321 1HD2 LEU 43 1HD2 LEU 43 11.959 -7.742 -4.780 322 2HD2 LEU 43 2HD2 LEU 43 12.282 -7.177 -3.141 323 3HD2 LEU 43 3HD2 LEU 43 12.859 -8.762 -3.656 324 H LYS 44 H LYS 44 14.265 -4.153 -1.843 325 HA LYS 44 HA LYS 44 15.310 -1.587 -2.651 326 1HB LYS 44 2HB LYS 44 14.489 -2.575 -0.262 327 2HB LYS 44 1HB LYS 44 16.230 -2.776 -0.108 328 1HG LYS 44 2HG LYS 44 16.629 -0.536 -0.073 329 2HG LYS 44 1HG LYS 44 15.221 -0.156 -1.065 330 1HD LYS 44 2HD LYS 44 13.823 -0.880 0.943 331 2HD LYS 44 1HD LYS 44 15.324 -0.809 1.868 332 1HE LYS 44 2HE LYS 44 13.904 1.429 0.447 333 2HE LYS 44 1HE LYS 44 14.260 1.282 2.168 334 1HZ LYS 44 1HZ LYS 44 15.957 2.180 -0.005 335 2HZ LYS 44 2HZ LYS 44 16.712 1.177 1.129 336 3HZ LYS 44 3HZ LYS 44 15.971 2.612 1.632 337 1H SER 45 1HT SER 45 14.974 5.216 2.605 338 2H SER 45 2HT SER 45 16.102 6.509 2.585 339 3H SER 45 3HT SER 45 16.542 4.974 1.954 340 HA SER 45 HA SER 45 15.979 6.762 0.327 341 1HB SER 45 2HB SER 45 15.037 3.951 0.481 342 2HB SER 45 1HB SER 45 14.360 4.931 -0.820 343 HG SER 45 HG SER 45 16.194 4.118 -1.662 344 H ASN 46 H ASN 46 14.280 7.315 2.726 345 HA ASN 46 HA ASN 46 12.339 8.389 3.223 346 1HB ASN 46 2HB ASN 46 12.419 8.824 0.237 347 2HB ASN 46 1HB ASN 46 11.177 9.531 1.268 348 1HD2 ASN 46 1HD2 ASN 46 13.450 10.640 -0.375 349 2HD2 ASN 46 2HD2 ASN 46 14.279 11.700 0.709 350 H PHE 47 H PHE 47 11.494 6.299 3.884 351 HA PHE 47 HA PHE 47 9.722 4.941 2.025 352 1HB PHE 47 2HB PHE 47 11.022 3.517 3.460 353 2HB PHE 47 1HB PHE 47 10.491 4.385 4.894 354 HD1 PHE 47 1HD PHE 47 8.176 4.130 5.704 355 HD2 PHE 47 2HD PHE 47 9.697 1.792 2.493 356 HE1 PHE 47 1HE PHE 47 6.321 2.543 5.991 357 HE2 PHE 47 2HE PHE 47 7.842 0.197 2.774 358 HZ PHE 47 HZ PHE 47 6.150 0.572 4.524 359 H LEU 48 H LEU 48 7.900 6.048 1.640 360 HA LEU 48 HA LEU 48 6.442 7.198 3.915 361 1HB LEU 48 2HB LEU 48 6.537 7.788 0.992 362 2HB LEU 48 1HB LEU 48 5.066 8.160 1.873 363 HG LEU 48 HG LEU 48 6.601 10.095 1.651 364 1HD1 LEU 48 1HD1 LEU 48 6.121 10.927 3.735 365 2HD1 LEU 48 2HD1 LEU 48 6.517 9.414 4.551 366 3HD1 LEU 48 3HD1 LEU 48 5.005 9.563 3.655 367 1HD2 LEU 48 1HD2 LEU 48 8.398 8.647 3.579 368 2HD2 LEU 48 2HD2 LEU 48 8.689 10.176 2.751 369 3HD2 LEU 48 3HD2 LEU 48 8.681 8.667 1.838 370 H ASN 49 H ASN 49 5.172 5.657 4.773 371 HA ASN 49 HA ASN 49 3.319 4.273 2.950 372 1HB ASN 49 2HB ASN 49 5.043 2.716 3.804 373 2HB ASN 49 1HB ASN 49 4.557 3.106 5.450 374 1HD2 ASN 49 1HD2 ASN 49 2.351 2.599 6.062 375 2HD2 ASN 49 2HD2 ASN 49 1.571 1.236 5.345 376 H CYS 50 H CYS 50 1.315 4.935 3.304 377 HA CYS 50 HA CYS 50 0.226 4.975 5.962 378 1HB CYS 50 2HB CYS 50 -0.399 7.285 6.067 379 2HB CYS 50 1HB CYS 50 1.332 7.214 5.763 380 HG CYS 50 HG CYS 50 0.274 9.005 4.199 381 H TYR 51 H TYR 51 -2.080 5.285 5.995 382 HA TYR 51 HA TYR 51 -3.551 5.517 3.555 383 1HB TYR 51 2HB TYR 51 -4.500 3.307 3.474 384 2HB TYR 51 1HB TYR 51 -2.747 3.162 3.418 385 HD1 TYR 51 1HD TYR 51 -5.432 1.512 4.580 386 HD2 TYR 51 2HD TYR 51 -1.848 3.214 6.110 387 HE1 TYR 51 1HE TYR 51 -5.506 -0.053 6.477 388 HE2 TYR 51 2HE TYR 51 -1.911 1.656 8.005 389 HH TYR 51 HH TYR 51 -3.029 -0.796 8.341 390 H VAL 52 H VAL 52 -5.752 5.809 3.889 391 HA VAL 52 HA VAL 52 -6.672 5.733 6.679 392 HB VAL 52 HB VAL 52 -7.764 7.907 6.424 393 1HG1 VAL 52 1HG1 VAL 52 -4.939 7.464 6.550 394 2HG1 VAL 52 2HG1 VAL 52 -5.908 8.696 7.356 395 3HG1 VAL 52 3HG1 VAL 52 -5.256 9.001 5.747 396 1HG2 VAL 52 1HG2 VAL 52 -6.774 9.271 4.381 397 2HG2 VAL 52 2HG2 VAL 52 -8.250 8.317 4.233 398 3HG2 VAL 52 3HG2 VAL 52 -6.717 7.664 3.656 399 H SER 53 H SER 53 -8.359 4.419 6.747 400 HA SER 53 HA SER 53 -10.797 4.787 5.594 401 1HB SER 53 2HB SER 53 -10.114 4.496 3.370 402 2HB SER 53 1HB SER 53 -8.991 3.202 3.785 403 HG SER 53 HG SER 53 -11.821 3.087 3.728 404 H GLY 54 H GLY 54 -9.244 1.640 5.178 405 1HA GLY 54 2HA GLY 54 -9.104 -0.012 6.942 406 2HA GLY 54 1HA GLY 54 -10.501 0.747 7.691 407 H PHE 55 H PHE 55 -12.384 0.889 5.867 408 HA PHE 55 HA PHE 55 -14.111 -0.385 5.093 409 1HB PHE 55 2HB PHE 55 -13.368 -1.831 3.070 410 2HB PHE 55 1HB PHE 55 -13.198 -0.084 2.984 411 HD1 PHE 55 1HD PHE 55 -11.151 0.864 2.458 412 HD2 PHE 55 2HD PHE 55 -11.298 -3.185 3.758 413 HE1 PHE 55 1HE PHE 55 -8.771 0.603 1.895 414 HE2 PHE 55 2HE PHE 55 -8.915 -3.453 3.201 415 HZ PHE 55 HZ PHE 55 -7.648 -1.556 2.270 416 H HIS 56 H HIS 56 -14.596 -2.818 4.206 417 HA HIS 56 HA HIS 56 -13.945 -4.508 6.508 418 1HB HIS 56 2HB HIS 56 -16.328 -4.057 4.983 419 2HB HIS 56 1HB HIS 56 -15.889 -5.758 4.857 420 HD1 HIS 56 1HD HIS 56 -18.119 -3.945 6.687 421 HD2 HIS 56 2HD HIS 56 -15.023 -6.461 7.850 422 HE1 HIS 56 1HE HIS 56 -18.690 -4.677 9.024 423 HE2 HIS 56 2HE HIS 56 -16.868 -6.298 9.656 424 HA PRO 57 HA PRO 57 -12.754 -7.418 2.970 425 1HB PRO 57 2HB PRO 57 -13.583 -7.063 0.470 426 2HB PRO 57 1HB PRO 57 -14.724 -7.571 1.720 427 1HG PRO 57 2HG PRO 57 -14.303 -4.862 0.527 428 2HG PRO 57 1HG PRO 57 -15.820 -5.678 0.949 429 1HD PRO 57 2HD PRO 57 -14.502 -3.791 2.522 430 2HD PRO 57 1HD PRO 57 -15.738 -4.927 3.090 431 H SER 58 H SER 58 -11.893 -7.021 0.246 432 HA SER 58 HA SER 58 -10.345 -5.955 -1.077 433 1HB SER 58 2HB SER 58 -9.504 -4.098 1.120 434 2HB SER 58 1HB SER 58 -9.510 -3.834 -0.622 435 HG SER 58 HG SER 58 -11.194 -2.717 0.552 436 H ASP 59 H ASP 59 -8.521 -6.944 -1.491 437 HA ASP 59 HA ASP 59 -6.837 -7.816 0.760 438 1HB ASP 59 2HB ASP 59 -7.843 -9.680 -0.506 439 2HB ASP 59 1HB ASP 59 -7.111 -9.064 -1.985 440 H ILE 60 H ILE 60 -5.451 -6.109 0.895 441 HA ILE 60 HA ILE 60 -3.685 -5.708 -1.416 442 HB ILE 60 HB ILE 60 -3.526 -3.283 -0.762 443 1HG1 ILE 60 2HG1 ILE 60 -4.574 -3.658 1.511 444 2HG1 ILE 60 1HG1 ILE 60 -5.199 -2.283 0.609 445 1HG2 ILE 60 1HG2 ILE 60 -4.948 -4.319 -2.643 446 2HG2 ILE 60 2HG2 ILE 60 -5.256 -2.648 -2.174 447 3HG2 ILE 60 3HG2 ILE 60 -6.323 -3.934 -1.611 448 1HD1 ILE 60 1HD1 ILE 60 -6.557 -4.670 1.562 449 2HD1 ILE 60 2HD1 ILE 60 -6.899 -4.303 -0.127 450 3HD1 ILE 60 3HD1 ILE 60 -7.206 -3.093 1.117 451 H GLU 61 H GLU 61 -1.534 -5.451 -0.954 452 HA GLU 61 HA GLU 61 -0.643 -4.974 1.748 453 1HB GLU 61 2HB GLU 61 0.614 -7.063 1.964 454 2HB GLU 61 1HB GLU 61 -1.112 -7.372 1.834 455 1HG GLU 61 2HG GLU 61 -0.903 -8.115 -0.401 456 2HG GLU 61 1HG GLU 61 0.757 -7.532 -0.511 457 H VAL 62 H VAL 62 1.282 -3.988 1.775 458 HA VAL 62 HA VAL 62 2.780 -3.873 -0.758 459 HB VAL 62 HB VAL 62 2.831 -1.888 1.521 460 1HG1 VAL 62 1HG1 VAL 62 4.710 -2.334 -0.468 461 2HG1 VAL 62 2HG1 VAL 62 4.541 -0.875 0.510 462 3HG1 VAL 62 3HG1 VAL 62 3.762 -0.974 -1.070 463 1HG2 VAL 62 1HG2 VAL 62 1.150 -2.110 -0.902 464 2HG2 VAL 62 2HG2 VAL 62 1.774 -0.506 -0.511 465 3HG2 VAL 62 3HG2 VAL 62 0.794 -1.383 0.665 466 H ASP 63 H ASP 63 4.657 -4.908 -0.803 467 HA ASP 63 HA ASP 63 6.129 -5.250 1.726 468 1HB ASP 63 2HB ASP 63 6.889 -7.452 0.892 469 2HB ASP 63 1HB ASP 63 5.141 -7.382 1.098 470 H LEU 64 H LEU 64 8.158 -4.552 1.720 471 HA LEU 64 HA LEU 64 9.496 -4.152 -0.872 472 1HB LEU 64 2HB LEU 64 10.031 -2.375 1.481 473 2HB LEU 64 1HB LEU 64 10.345 -2.077 -0.217 474 HG LEU 64 HG LEU 64 7.707 -1.945 1.227 475 1HD1 LEU 64 1HD1 LEU 64 8.724 0.145 -0.612 476 2HD1 LEU 64 2HD1 LEU 64 9.512 -0.023 0.957 477 3HD1 LEU 64 3HD1 LEU 64 7.779 0.295 0.867 478 1HD2 LEU 64 1HD2 LEU 64 7.320 -1.203 -1.443 479 2HD2 LEU 64 2HD2 LEU 64 6.665 -2.616 -0.617 480 3HD2 LEU 64 3HD2 LEU 64 8.187 -2.738 -1.498 481 H LEU 65 H LEU 65 11.059 -5.608 -0.994 482 HA LEU 65 HA LEU 65 12.896 -6.853 -0.504 483 1HB LEU 65 2HB LEU 65 13.458 -4.401 0.479 484 2HB LEU 65 1HB LEU 65 13.557 -5.346 1.953 485 HG LEU 65 HG LEU 65 15.187 -5.726 -0.557 486 1HD1 LEU 65 1HD1 LEU 65 16.895 -4.722 0.510 487 2HD1 LEU 65 2HD1 LEU 65 16.438 -5.374 2.084 488 3HD1 LEU 65 3HD1 LEU 65 15.601 -3.962 1.437 489 1HD2 LEU 65 1HD2 LEU 65 16.360 -7.451 0.951 490 2HD2 LEU 65 2HD2 LEU 65 14.850 -7.914 0.164 491 3HD2 LEU 65 3HD2 LEU 65 14.853 -7.456 1.867 492 H LYS 66 H LYS 66 12.941 -8.815 0.368 493 HA LYS 66 HA LYS 66 12.576 -10.572 1.766 494 1HB LYS 66 2HB LYS 66 13.689 -8.775 3.363 495 2HB LYS 66 1HB LYS 66 12.092 -8.774 4.099 496 1HG LYS 66 2HG LYS 66 12.245 -11.053 4.678 497 2HG LYS 66 1HG LYS 66 13.656 -11.296 3.645 498 1HD LYS 66 2HD LYS 66 14.666 -11.144 5.698 499 2HD LYS 66 1HD LYS 66 14.703 -9.451 5.201 500 1HE LYS 66 2HE LYS 66 12.623 -9.065 6.468 501 2HE LYS 66 1HE LYS 66 12.661 -10.744 7.006 502 1HZ LYS 66 1HZ LYS 66 15.092 -9.936 7.724 503 2HZ LYS 66 2HZ LYS 66 13.745 -9.845 8.742 504 3HZ LYS 66 3HZ LYS 66 14.249 -8.478 7.884 505 1H SER 67 1HT SER 67 12.405 10.206 10.484 506 2H SER 67 2HT SER 67 13.754 11.118 11.028 507 3H SER 67 3HT SER 67 12.671 10.423 12.164 508 HA SER 67 HA SER 67 14.848 9.285 11.817 509 1HB SER 67 2HB SER 67 12.208 7.839 11.472 510 2HB SER 67 1HB SER 67 13.717 7.063 11.953 511 HG SER 67 HG SER 67 12.048 7.984 13.592 512 H ASN 68 H ASN 68 12.460 7.980 9.518 513 HA ASN 68 HA ASN 68 13.935 8.453 7.184 514 1HB ASN 68 2HB ASN 68 14.785 6.129 8.755 515 2HB ASN 68 1HB ASN 68 14.394 5.742 7.082 516 1HD2 ASN 68 1HD2 ASN 68 15.225 7.763 5.634 517 2HD2 ASN 68 2HD2 ASN 68 16.916 8.055 5.835 518 H PHE 69 H PHE 69 11.713 6.319 8.886 519 HA PHE 69 HA PHE 69 10.152 6.091 6.399 520 1HB PHE 69 2HB PHE 69 9.890 3.872 6.694 521 2HB PHE 69 1HB PHE 69 11.266 4.000 7.780 522 HD1 PHE 69 1HD PHE 69 8.032 2.788 7.458 523 HD2 PHE 69 2HD PHE 69 10.585 4.705 10.264 524 HE1 PHE 69 1HE PHE 69 6.642 1.935 9.295 525 HE2 PHE 69 2HE PHE 69 9.196 3.860 12.111 526 HZ PHE 69 HZ PHE 69 7.220 2.472 11.627 527 H LEU 70 H LEU 70 7.769 5.587 6.903 528 HA LEU 70 HA LEU 70 6.784 6.765 9.361 529 1HB LEU 70 2HB LEU 70 7.118 8.733 7.977 530 2HB LEU 70 1HB LEU 70 6.220 7.996 6.664 531 HG LEU 70 HG LEU 70 4.226 7.953 8.274 532 1HD1 LEU 70 1HD1 LEU 70 6.235 9.437 9.852 533 2HD1 LEU 70 2HD1 LEU 70 4.889 8.427 10.382 534 3HD1 LEU 70 3HD1 LEU 70 4.594 10.082 9.846 535 1HD2 LEU 70 1HD2 LEU 70 4.328 9.446 6.377 536 2HD2 LEU 70 2HD2 LEU 70 5.348 10.568 7.277 537 3HD2 LEU 70 3HD2 LEU 70 3.677 10.305 7.772 538 H ASN 71 H ASN 71 5.426 5.207 9.979 539 HA ASN 71 HA ASN 71 3.713 3.930 7.967 540 1HB ASN 71 2HB ASN 71 3.230 2.310 9.894 541 2HB ASN 71 1HB ASN 71 4.838 2.257 9.188 542 1HD2 ASN 71 1HD2 ASN 71 4.724 1.145 11.520 543 2HD2 ASN 71 2HD2 ASN 71 5.358 2.146 12.777 544 H CYS 72 H CYS 72 2.618 6.160 8.091 545 HA CYS 72 HA CYS 72 0.990 6.685 10.389 546 1HB CYS 72 2HB CYS 72 1.756 8.502 8.922 547 2HB CYS 72 1HB CYS 72 0.823 7.827 7.593 548 HG CYS 72 HG CYS 72 -0.856 9.439 8.412 549 H TYR 73 H TYR 73 -0.459 5.157 10.876 550 HA TYR 73 HA TYR 73 -2.224 4.168 8.744 551 1HB TYR 73 2HB TYR 73 -2.811 2.493 10.719 552 2HB TYR 73 1HB TYR 73 -1.411 2.241 9.686 553 HD1 TYR 73 1HD TYR 73 0.690 1.970 10.640 554 HD2 TYR 73 2HD TYR 73 -2.396 3.804 12.923 555 HE1 TYR 73 1HE TYR 73 2.154 1.958 12.615 556 HE2 TYR 73 2HE TYR 73 -0.939 3.799 14.905 557 HH TYR 73 HH TYR 73 2.403 3.121 14.729 558 H VAL 74 H VAL 74 -4.306 4.715 8.718 559 HA VAL 74 HA VAL 74 -5.529 5.762 11.177 560 HB VAL 74 HB VAL 74 -6.042 6.998 8.479 561 1HG1 VAL 74 1HG1 VAL 74 -6.641 8.880 10.303 562 2HG1 VAL 74 2HG1 VAL 74 -6.997 7.425 11.235 563 3HG1 VAL 74 3HG1 VAL 74 -7.808 7.706 9.695 564 1HG2 VAL 74 1HG2 VAL 74 -4.268 8.147 10.624 565 2HG2 VAL 74 2HG2 VAL 74 -4.546 8.771 8.998 566 3HG2 VAL 74 3HG2 VAL 74 -3.654 7.267 9.224 567 H SER 75 H SER 75 -6.321 3.508 11.155 568 HA SER 75 HA SER 75 -8.994 3.322 10.484 569 1HB SER 75 2HB SER 75 -9.188 2.271 8.455 570 2HB SER 75 1HB SER 75 -7.709 3.172 8.130 571 HG SER 75 HG SER 75 -7.483 0.977 7.569 572 H GLY 76 H GLY 76 -9.897 1.597 11.530 573 1HA GLY 76 2HA GLY 76 -8.480 0.158 13.414 574 2HA GLY 76 1HA GLY 76 -10.028 -0.354 12.752 575 H PHE 77 H PHE 77 -10.066 -1.760 10.959 576 HA PHE 77 HA PHE 77 -8.127 -2.721 9.383 577 1HB PHE 77 2HB PHE 77 -7.695 -3.710 12.125 578 2HB PHE 77 1HB PHE 77 -7.692 -4.965 10.888 579 HD1 PHE 77 1HD PHE 77 -6.511 -3.436 8.626 580 HD2 PHE 77 2HD PHE 77 -5.441 -3.598 12.735 581 HE1 PHE 77 1HE PHE 77 -4.197 -2.825 8.041 582 HE2 PHE 77 2HE PHE 77 -3.127 -2.999 12.156 583 HZ PHE 77 HZ PHE 77 -2.503 -2.610 9.810 584 H HIS 78 H HIS 78 -10.252 -4.371 11.740 585 HA HIS 78 HA HIS 78 -11.997 -5.810 11.442 586 1HB HIS 78 2HB HIS 78 -12.183 -4.049 9.017 587 2HB HIS 78 1HB HIS 78 -13.279 -5.413 9.197 588 HD1 HIS 78 1HD HIS 78 -15.350 -4.965 10.494 589 HD2 HIS 78 2HD HIS 78 -12.365 -2.189 11.307 590 HE1 HIS 78 1HE HIS 78 -16.411 -3.258 12.006 591 HE2 HIS 78 2HE HIS 78 -14.563 -1.636 12.553 592 HA PRO 79 HA PRO 79 -10.718 -9.436 9.294 593 1HB PRO 79 2HB PRO 79 -13.035 -10.319 8.073 594 2HB PRO 79 1HB PRO 79 -12.619 -10.599 9.766 595 1HG PRO 79 2HG PRO 79 -14.405 -8.522 8.570 596 2HG PRO 79 1HG PRO 79 -14.622 -9.469 10.054 597 1HD PRO 79 2HD PRO 79 -13.813 -6.916 10.132 598 2HD PRO 79 1HD PRO 79 -13.179 -8.121 11.272 599 H SER 80 H SER 80 -9.530 -7.864 7.845 600 HA SER 80 HA SER 80 -10.475 -8.193 5.075 601 1HB SER 80 2HB SER 80 -9.888 -6.008 4.496 602 2HB SER 80 1HB SER 80 -10.560 -5.796 6.112 603 HG SER 80 HG SER 80 -8.682 -4.755 6.260 604 H ASP 81 H ASP 81 -8.177 -7.125 3.832 605 HA ASP 81 HA ASP 81 -6.042 -8.901 4.803 606 1HB ASP 81 2HB ASP 81 -7.494 -9.047 2.285 607 2HB ASP 81 1HB ASP 81 -5.757 -8.904 2.036 608 H ILE 82 H ILE 82 -6.101 -6.205 5.388 609 HA ILE 82 HA ILE 82 -4.248 -4.965 3.486 610 HB ILE 82 HB ILE 82 -4.601 -2.876 4.754 611 1HG1 ILE 82 2HG1 ILE 82 -6.679 -4.463 6.276 612 2HG1 ILE 82 1HG1 ILE 82 -5.154 -3.897 6.940 613 1HG2 ILE 82 1HG2 ILE 82 -6.818 -4.351 3.446 614 2HG2 ILE 82 2HG2 ILE 82 -5.975 -2.885 2.944 615 3HG2 ILE 82 3HG2 ILE 82 -7.185 -2.812 4.223 616 1HD1 ILE 82 1HD1 ILE 82 -7.544 -2.571 7.049 617 2HD1 ILE 82 2HD1 ILE 82 -6.715 -1.775 5.712 618 3HD1 ILE 82 3HD1 ILE 82 -5.954 -1.850 7.300 619 H GLU 83 H GLU 83 -2.143 -5.149 3.859 620 HA GLU 83 HA GLU 83 -1.143 -4.888 6.582 621 1HB GLU 83 2HB GLU 83 0.424 -6.923 5.986 622 2HB GLU 83 1HB GLU 83 -1.158 -7.176 6.707 623 1HG GLU 83 2HG GLU 83 -1.234 -7.091 3.800 624 2HG GLU 83 1HG GLU 83 -0.204 -8.374 4.431 625 H VAL 84 H VAL 84 1.225 -4.673 6.671 626 HA VAL 84 HA VAL 84 2.479 -3.845 4.158 627 HB VAL 84 HB VAL 84 2.452 -2.094 6.623 628 1HG1 VAL 84 1HG1 VAL 84 4.524 -1.815 5.502 629 2HG1 VAL 84 2HG1 VAL 84 3.514 -0.444 5.042 630 3HG1 VAL 84 3HG1 VAL 84 3.743 -1.786 3.922 631 1HG2 VAL 84 1HG2 VAL 84 0.431 -1.492 5.848 632 2HG2 VAL 84 2HG2 VAL 84 0.714 -2.211 4.263 633 3HG2 VAL 84 3HG2 VAL 84 1.349 -0.607 4.631 634 H ASP 85 H ASP 85 4.536 -4.507 4.018 635 HA ASP 85 HA ASP 85 6.021 -5.078 6.487 636 1HB ASP 85 2HB ASP 85 5.531 -6.957 4.188 637 2HB ASP 85 1HB ASP 85 6.948 -7.130 5.220 638 H LEU 86 H LEU 86 7.662 -3.682 6.408 639 HA LEU 86 HA LEU 86 9.135 -3.419 3.867 640 1HB LEU 86 2HB LEU 86 9.821 -1.153 4.772 641 2HB LEU 86 1HB LEU 86 8.158 -1.317 4.240 642 HG LEU 86 HG LEU 86 8.819 -1.699 7.134 643 1HD1 LEU 86 1HD1 LEU 86 9.090 0.780 5.607 644 2HD1 LEU 86 2HD1 LEU 86 9.684 0.363 7.214 645 3HD1 LEU 86 3HD1 LEU 86 8.019 0.905 7.002 646 1HD2 LEU 86 1HD2 LEU 86 6.612 -2.104 7.003 647 2HD2 LEU 86 2HD2 LEU 86 6.445 -1.271 5.458 648 3HD2 LEU 86 3HD2 LEU 86 6.474 -0.347 6.960 649 H LEU 87 H LEU 87 10.721 -4.920 4.230 650 HA LEU 87 HA LEU 87 12.658 -5.796 5.031 651 1HB LEU 87 2HB LEU 87 12.834 -3.009 6.153 652 2HB LEU 87 1HB LEU 87 14.106 -4.191 6.396 653 HG LEU 87 HG LEU 87 13.951 -4.357 3.744 654 1HD1 LEU 87 1HD1 LEU 87 12.059 -2.579 3.920 655 2HD1 LEU 87 2HD1 LEU 87 13.271 -2.450 2.645 656 3HD1 LEU 87 3HD1 LEU 87 13.397 -1.444 4.089 657 1HD2 LEU 87 1HD2 LEU 87 15.372 -1.957 4.783 658 2HD2 LEU 87 2HD2 LEU 87 15.940 -3.225 3.696 659 3HD2 LEU 87 3HD2 LEU 87 15.807 -3.542 5.426 660 H LYS 88 H LYS 88 12.068 -3.746 7.858 661 HA LYS 88 HA LYS 88 11.900 -4.260 10.071 662 1HB LYS 88 2HB LYS 88 9.743 -5.409 8.684 663 2HB LYS 88 1HB LYS 88 10.262 -6.626 9.841 664 1HG LYS 88 2HG LYS 88 9.743 -5.318 11.659 665 2HG LYS 88 1HG LYS 88 9.882 -3.813 10.749 666 1HD LYS 88 2HD LYS 88 7.787 -4.060 9.774 667 2HD LYS 88 1HD LYS 88 7.745 -5.799 10.077 668 1HE LYS 88 2HE LYS 88 6.228 -4.423 11.530 669 2HE LYS 88 1HE LYS 88 7.351 -5.470 12.396 670 1HZ LYS 88 1HZ LYS 88 7.081 -3.077 13.195 671 2HZ LYS 88 2HZ LYS 88 8.016 -2.645 11.853 672 3HZ LYS 88 3HZ LYS 88 8.655 -3.674 13.031 Start of MODEL 7 1 1H SER 1 1HT SER 1 16.157 3.909 -8.368 2 2H SER 1 2HT SER 1 14.510 3.821 -7.894 3 3H SER 1 3HT SER 1 15.741 3.957 -6.706 4 HA SER 1 HA SER 1 16.243 6.117 -7.307 5 1HB SER 1 2HB SER 1 15.547 5.279 -9.835 6 2HB SER 1 1HB SER 1 14.232 6.386 -9.437 7 HG SER 1 HG SER 1 16.022 7.858 -8.779 8 H ASN 2 H ASN 2 14.236 7.969 -7.891 9 HA ASN 2 HA ASN 2 12.782 8.011 -5.491 10 1HB ASN 2 2HB ASN 2 13.389 9.906 -7.248 11 2HB ASN 2 1HB ASN 2 11.777 9.534 -7.854 12 1HD2 ASN 2 1HD2 ASN 2 13.369 9.992 -4.713 13 2HD2 ASN 2 2HD2 ASN 2 12.144 11.017 -4.052 14 H PHE 3 H PHE 3 10.758 7.381 -4.938 15 HA PHE 3 HA PHE 3 8.934 6.418 -7.002 16 1HB PHE 3 2HB PHE 3 10.274 4.450 -6.347 17 2HB PHE 3 1HB PHE 3 9.800 4.694 -4.670 18 HD1 PHE 3 1HD PHE 3 7.451 4.343 -3.991 19 HD2 PHE 3 2HD PHE 3 8.832 3.395 -7.902 20 HE1 PHE 3 1HE PHE 3 5.461 2.942 -4.350 21 HE2 PHE 3 2HE PHE 3 6.842 1.993 -8.269 22 HZ PHE 3 HZ PHE 3 5.155 1.766 -6.491 23 H LEU 4 H LEU 4 6.900 7.002 -6.572 24 HA LEU 4 HA LEU 4 6.021 7.307 -3.818 25 1HB LEU 4 2HB LEU 4 4.951 9.580 -4.663 26 2HB LEU 4 1HB LEU 4 6.533 9.512 -3.917 27 HG LEU 4 HG LEU 4 6.403 10.968 -5.935 28 1HD1 LEU 4 1HD1 LEU 4 8.557 10.551 -6.469 29 2HD1 LEU 4 2HD1 LEU 4 8.284 8.824 -6.701 30 3HD1 LEU 4 3HD1 LEU 4 8.445 9.481 -5.072 31 1HD2 LEU 4 1HD2 LEU 4 4.939 9.889 -7.396 32 2HD2 LEU 4 2HD2 LEU 4 5.774 8.345 -7.245 33 3HD2 LEU 4 3HD2 LEU 4 6.523 9.666 -8.137 34 H ASN 5 H ASN 5 4.708 5.504 -4.353 35 HA ASN 5 HA ASN 5 2.812 5.601 -6.485 36 1HB ASN 5 2HB ASN 5 3.759 3.519 -5.300 37 2HB ASN 5 1HB ASN 5 2.573 3.853 -4.041 38 1HD2 ASN 5 1HD2 ASN 5 2.970 3.151 -7.460 39 2HD2 ASN 5 2HD2 ASN 5 1.405 2.455 -7.688 40 H CYS 6 H CYS 6 1.083 6.884 -6.528 41 HA CYS 6 HA CYS 6 -0.186 7.595 -3.966 42 1HB CYS 6 2HB CYS 6 0.892 9.331 -5.723 43 2HB CYS 6 1HB CYS 6 -0.746 9.245 -6.360 44 HG CYS 6 HG CYS 6 -0.112 10.187 -3.462 45 H TYR 7 H TYR 7 -1.980 6.487 -3.631 46 HA TYR 7 HA TYR 7 -3.790 6.008 -5.906 47 1HB TYR 7 2HB TYR 7 -3.325 3.831 -5.349 48 2HB TYR 7 1HB TYR 7 -2.911 4.232 -3.687 49 HD1 TYR 7 1HD TYR 7 -5.424 2.893 -5.860 50 HD2 TYR 7 2HD TYR 7 -4.830 4.758 -2.085 51 HE1 TYR 7 1HE TYR 7 -7.623 2.074 -5.114 52 HE2 TYR 7 2HE TYR 7 -7.022 3.948 -1.333 53 HH TYR 7 HH TYR 7 -9.061 3.143 -2.141 54 H VAL 8 H VAL 8 -5.763 6.881 -5.760 55 HA VAL 8 HA VAL 8 -6.706 7.754 -3.110 56 HB VAL 8 HB VAL 8 -7.149 9.294 -5.668 57 1HG1 VAL 8 1HG1 VAL 8 -8.857 9.518 -3.871 58 2HG1 VAL 8 2HG1 VAL 8 -8.024 11.023 -4.255 59 3HG1 VAL 8 3HG1 VAL 8 -7.590 10.121 -2.803 60 1HG2 VAL 8 1HG2 VAL 8 -5.581 10.962 -4.547 61 2HG2 VAL 8 2HG2 VAL 8 -4.847 9.524 -5.256 62 3HG2 VAL 8 3HG2 VAL 8 -5.082 9.625 -3.512 63 H SER 9 H SER 9 -7.902 5.744 -3.110 64 HA SER 9 HA SER 9 -9.674 4.369 -3.570 65 1HB SER 9 2HB SER 9 -11.172 5.605 -2.425 66 2HB SER 9 1HB SER 9 -10.626 7.109 -3.162 67 HG SER 9 HG SER 9 -12.835 6.412 -3.667 68 H GLY 10 H GLY 10 -9.247 3.318 -5.490 69 1HA GLY 10 2HA GLY 10 -10.809 3.102 -7.545 70 2HA GLY 10 1HA GLY 10 -10.103 4.653 -7.968 71 H PHE 11 H PHE 11 -10.041 1.790 -9.084 72 HA PHE 11 HA PHE 11 -7.535 1.944 -10.300 73 1HB PHE 11 2HB PHE 11 -6.161 0.434 -9.200 74 2HB PHE 11 1HB PHE 11 -6.969 1.222 -7.853 75 HD1 PHE 11 1HD PHE 11 -6.352 -1.877 -9.560 76 HD2 PHE 11 2HD PHE 11 -8.872 0.044 -6.722 77 HE1 PHE 11 1HE PHE 11 -7.085 -4.074 -8.727 78 HE2 PHE 11 2HE PHE 11 -9.608 -2.150 -5.885 79 HZ PHE 11 HZ PHE 11 -8.713 -4.212 -6.888 80 H HIS 12 H HIS 12 -6.996 -0.158 -11.493 81 HA HIS 12 HA HIS 12 -9.214 -0.927 -13.016 82 1HB HIS 12 2HB HIS 12 -6.883 -2.783 -12.866 83 2HB HIS 12 1HB HIS 12 -7.761 -2.198 -14.271 84 HD1 HIS 12 1HD HIS 12 -4.908 -1.361 -12.023 85 HD2 HIS 12 2HD HIS 12 -6.832 0.217 -15.351 86 HE1 HIS 12 1HE HIS 12 -3.387 0.447 -12.883 87 HE2 HIS 12 2HE HIS 12 -4.525 1.318 -14.956 88 HA PRO 13 HA PRO 13 -10.886 -4.416 -10.878 89 1HB PRO 13 2HB PRO 13 -11.385 -6.263 -12.757 90 2HB PRO 13 1HB PRO 13 -12.222 -4.706 -12.742 91 1HG PRO 13 2HG PRO 13 -9.956 -5.626 -14.449 92 2HG PRO 13 1HG PRO 13 -11.343 -4.611 -14.876 93 1HD PRO 13 2HD PRO 13 -8.799 -3.680 -14.291 94 2HD PRO 13 1HD PRO 13 -10.279 -2.705 -14.228 95 H SER 14 H SER 14 -10.739 -6.867 -10.510 96 HA SER 14 HA SER 14 -9.533 -8.689 -9.868 97 1HB SER 14 2HB SER 14 -7.329 -7.891 -11.759 98 2HB SER 14 1HB SER 14 -7.854 -9.509 -11.293 99 HG SER 14 HG SER 14 -8.591 -8.161 -13.408 100 H ASP 15 H ASP 15 -6.733 -9.033 -9.612 101 HA ASP 15 HA ASP 15 -6.185 -7.074 -7.489 102 1HB ASP 15 2HB ASP 15 -4.671 -8.800 -6.554 103 2HB ASP 15 1HB ASP 15 -6.335 -9.361 -6.684 104 H ILE 16 H ILE 16 -4.713 -5.577 -7.923 105 HA ILE 16 HA ILE 16 -2.943 -5.824 -10.183 106 HB ILE 16 HB ILE 16 -2.892 -3.652 -8.093 107 1HG1 ILE 16 2HG1 ILE 16 -5.176 -3.856 -8.915 108 2HG1 ILE 16 1HG1 ILE 16 -4.432 -2.400 -9.565 109 1HG2 ILE 16 1HG2 ILE 16 -1.999 -3.783 -10.966 110 2HG2 ILE 16 2HG2 ILE 16 -0.984 -3.610 -9.535 111 3HG2 ILE 16 3HG2 ILE 16 -2.063 -2.301 -10.014 112 1HD1 ILE 16 1HD1 ILE 16 -5.805 -3.687 -11.190 113 2HD1 ILE 16 2HD1 ILE 16 -4.627 -4.995 -11.069 114 3HD1 ILE 16 3HD1 ILE 16 -4.137 -3.420 -11.695 115 H GLU 17 H GLU 17 -0.608 -5.499 -10.031 116 HA GLU 17 HA GLU 17 0.611 -6.176 -7.473 117 1HB GLU 17 2HB GLU 17 1.952 -7.995 -8.496 118 2HB GLU 17 1HB GLU 17 0.233 -8.357 -8.435 119 1HG GLU 17 2HG GLU 17 1.574 -7.249 -10.881 120 2HG GLU 17 1HG GLU 17 1.440 -8.977 -10.558 121 H VAL 18 H VAL 18 0.935 -3.757 -8.267 122 HA VAL 18 HA VAL 18 2.926 -3.263 -10.222 123 HB VAL 18 HB VAL 18 2.112 -1.549 -7.867 124 1HG1 VAL 18 1HG1 VAL 18 4.008 -0.462 -8.450 125 2HG1 VAL 18 2HG1 VAL 18 2.969 0.202 -9.712 126 3HG1 VAL 18 3HG1 VAL 18 4.036 -1.155 -10.071 127 1HG2 VAL 18 1HG2 VAL 18 0.337 -2.192 -9.567 128 2HG2 VAL 18 2HG2 VAL 18 1.252 -1.231 -10.728 129 3HG2 VAL 18 3HG2 VAL 18 0.578 -0.469 -9.287 130 H ASP 19 H ASP 19 5.012 -3.777 -10.116 131 HA ASP 19 HA ASP 19 6.359 -3.621 -7.514 132 1HB ASP 19 2HB ASP 19 7.674 -5.685 -8.216 133 2HB ASP 19 1HB ASP 19 6.001 -5.950 -7.734 134 H LEU 20 H LEU 20 8.724 -3.527 -7.687 135 HA LEU 20 HA LEU 20 9.834 -2.761 -10.250 136 1HB LEU 20 2HB LEU 20 9.365 -0.816 -8.023 137 2HB LEU 20 1HB LEU 20 10.756 -0.617 -9.072 138 HG LEU 20 HG LEU 20 7.900 -0.731 -10.039 139 1HD1 LEU 20 1HD1 LEU 20 7.787 1.549 -10.017 140 2HD1 LEU 20 2HD1 LEU 20 9.537 1.749 -10.101 141 3HD1 LEU 20 3HD1 LEU 20 8.775 1.280 -8.581 142 1HD2 LEU 20 1HD2 LEU 20 9.926 0.513 -11.724 143 2HD2 LEU 20 2HD2 LEU 20 8.689 -0.677 -12.127 144 3HD2 LEU 20 3HD2 LEU 20 10.223 -1.200 -11.433 145 H LEU 21 H LEU 21 11.786 -3.621 -10.381 146 HA LEU 21 HA LEU 21 13.820 -4.479 -9.838 147 1HB LEU 21 2HB LEU 21 13.496 -2.738 -7.394 148 2HB LEU 21 1HB LEU 21 14.975 -3.564 -7.838 149 HG LEU 21 HG LEU 21 15.180 -1.277 -8.497 150 1HD1 LEU 21 1HD1 LEU 21 15.648 -3.338 -10.158 151 2HD1 LEU 21 2HD1 LEU 21 16.036 -1.662 -10.547 152 3HD1 LEU 21 3HD1 LEU 21 14.546 -2.386 -11.153 153 1HD2 LEU 21 1HD2 LEU 21 12.747 -1.534 -10.236 154 2HD2 LEU 21 2HD2 LEU 21 13.618 -0.075 -9.764 155 3HD2 LEU 21 3HD2 LEU 21 12.650 -0.949 -8.576 156 H LYS 22 H LYS 22 15.005 -5.577 -7.787 157 HA LYS 22 HA LYS 22 13.624 -7.917 -7.252 158 1HB LYS 22 2HB LYS 22 16.025 -6.599 -6.082 159 2HB LYS 22 1HB LYS 22 15.323 -7.949 -5.201 160 1HG LYS 22 2HG LYS 22 16.935 -8.948 -6.528 161 2HG LYS 22 1HG LYS 22 15.446 -9.204 -7.440 162 1HD LYS 22 2HD LYS 22 17.225 -8.485 -8.927 163 2HD LYS 22 1HD LYS 22 15.978 -7.240 -8.824 164 1HE LYS 22 2HE LYS 22 18.385 -6.447 -8.720 165 2HE LYS 22 1HE LYS 22 17.308 -5.872 -7.448 166 1HZ LYS 22 1HZ LYS 22 19.575 -6.690 -6.739 167 2HZ LYS 22 2HZ LYS 22 19.030 -8.252 -7.092 168 3HZ LYS 22 3HZ LYS 22 18.253 -7.335 -5.902 169 1H SER 23 1HT SER 23 13.998 4.455 2.846 170 2H SER 23 2HT SER 23 13.129 3.816 1.511 171 3H SER 23 3HT SER 23 12.698 5.343 2.167 172 HA SER 23 HA SER 23 14.991 6.079 1.594 173 1HB SER 23 2HB SER 23 15.688 3.631 1.265 174 2HB SER 23 1HB SER 23 14.859 3.723 -0.289 175 HG SER 23 HG SER 23 17.300 4.618 0.379 176 H ASN 24 H ASN 24 13.777 7.787 0.889 177 HA ASN 24 HA ASN 24 12.426 9.062 -0.447 178 1HB ASN 24 2HB ASN 24 13.151 9.052 -2.836 179 2HB ASN 24 1HB ASN 24 14.483 9.171 -1.691 180 1HD2 ASN 24 1HD2 ASN 24 12.720 6.965 -3.781 181 2HD2 ASN 24 2HD2 ASN 24 14.022 5.856 -4.018 182 H PHE 25 H PHE 25 10.966 6.936 0.378 183 HA PHE 25 HA PHE 25 9.435 6.199 -2.030 184 1HB PHE 25 2HB PHE 25 10.470 4.212 -1.092 185 2HB PHE 25 1HB PHE 25 9.839 4.598 0.505 186 HD1 PHE 25 1HD PHE 25 7.406 4.438 0.938 187 HD2 PHE 25 2HD PHE 25 9.139 3.107 -2.713 188 HE1 PHE 25 1HE PHE 25 5.379 3.131 0.457 189 HE2 PHE 25 2HE PHE 25 7.115 1.796 -3.200 190 HZ PHE 25 HZ PHE 25 5.232 1.808 -1.614 191 H LEU 26 H LEU 26 7.230 6.419 -1.969 192 HA LEU 26 HA LEU 26 5.938 7.231 0.509 193 1HB LEU 26 2HB LEU 26 6.192 8.976 -1.921 194 2HB LEU 26 1HB LEU 26 4.840 9.152 -0.820 195 HG LEU 26 HG LEU 26 6.880 9.262 0.944 196 1HD1 LEU 26 1HD1 LEU 26 8.786 9.290 -0.275 197 2HD1 LEU 26 2HD1 LEU 26 8.405 11.008 -0.376 198 3HD1 LEU 26 3HD1 LEU 26 7.992 9.934 -1.711 199 1HD2 LEU 26 1HD2 LEU 26 5.377 10.960 1.147 200 2HD2 LEU 26 2HD2 LEU 26 5.358 11.302 -0.582 201 3HD2 LEU 26 3HD2 LEU 26 6.709 11.851 0.409 202 H ASN 27 H ASN 27 4.213 5.973 0.662 203 HA ASN 27 HA ASN 27 2.675 5.398 -1.783 204 1HB ASN 27 2HB ASN 27 3.858 3.387 -1.015 205 2HB ASN 27 1HB ASN 27 3.118 3.553 0.575 206 1HD2 ASN 27 1HD2 ASN 27 1.755 1.920 0.766 207 2HD2 ASN 27 2HD2 ASN 27 0.545 1.475 -0.384 208 H CYS 28 H CYS 28 1.213 7.067 -1.445 209 HA CYS 28 HA CYS 28 -0.184 7.311 1.068 210 1HB CYS 28 2HB CYS 28 -0.566 8.692 -1.595 211 2HB CYS 28 1HB CYS 28 -1.485 9.073 -0.142 212 HG CYS 28 HG CYS 28 1.160 9.537 0.782 213 H TYR 29 H TYR 29 -1.816 6.043 1.622 214 HA TYR 29 HA TYR 29 -3.464 4.857 -0.510 215 1HB TYR 29 2HB TYR 29 -2.373 3.111 0.699 216 2HB TYR 29 1HB TYR 29 -2.760 3.847 2.249 217 HD1 TYR 29 1HD TYR 29 -3.693 1.700 3.024 218 HD2 TYR 29 2HD TYR 29 -5.326 3.736 -0.330 219 HE1 TYR 29 1HE TYR 29 -5.721 0.316 3.178 220 HE2 TYR 29 2HE TYR 29 -7.358 2.358 -0.188 221 HH TYR 29 HH TYR 29 -8.165 0.549 2.471 222 H VAL 30 H VAL 30 -5.208 6.112 -0.759 223 HA VAL 30 HA VAL 30 -6.598 7.091 1.637 224 HB VAL 30 HB VAL 30 -7.125 7.936 -1.210 225 1HG1 VAL 30 1HG1 VAL 30 -7.841 9.125 1.465 226 2HG1 VAL 30 2HG1 VAL 30 -8.943 8.422 0.280 227 3HG1 VAL 30 3HG1 VAL 30 -8.097 9.926 -0.085 228 1HG2 VAL 30 1HG2 VAL 30 -5.027 8.782 -1.092 229 2HG2 VAL 30 2HG2 VAL 30 -5.001 8.765 0.672 230 3HG2 VAL 30 3HG2 VAL 30 -5.844 10.055 -0.185 231 H SER 31 H SER 31 -8.019 5.590 2.313 232 HA SER 31 HA SER 31 -9.234 3.627 0.759 233 1HB SER 31 2HB SER 31 -9.946 4.862 3.407 234 2HB SER 31 1HB SER 31 -10.964 3.618 2.683 235 HG SER 31 HG SER 31 -9.437 2.154 2.998 236 H GLY 32 H GLY 32 -11.833 3.509 0.897 237 1HA GLY 32 2HA GLY 32 -13.865 4.768 0.520 238 2HA GLY 32 1HA GLY 32 -12.892 6.008 -0.257 239 H PHE 33 H PHE 33 -13.100 2.473 -0.671 240 HA PHE 33 HA PHE 33 -14.353 2.678 -3.225 241 1HB PHE 33 2HB PHE 33 -12.582 2.117 -4.672 242 2HB PHE 33 1HB PHE 33 -11.925 3.381 -3.643 243 HD1 PHE 33 1HD PHE 33 -11.466 1.560 -1.198 244 HD2 PHE 33 2HD PHE 33 -10.519 1.163 -5.328 245 HE1 PHE 33 1HE PHE 33 -9.572 0.102 -0.622 246 HE2 PHE 33 2HE PHE 33 -8.628 -0.302 -4.754 247 HZ PHE 33 HZ PHE 33 -8.151 -0.833 -2.400 248 H HIS 34 H HIS 34 -14.619 0.562 -4.274 249 HA HIS 34 HA HIS 34 -14.024 -1.763 -2.629 250 1HB HIS 34 2HB HIS 34 -16.436 -2.503 -2.755 251 2HB HIS 34 1HB HIS 34 -16.122 -1.147 -1.675 252 HD1 HIS 34 1HD HIS 34 -16.980 -1.388 -5.385 253 HD2 HIS 34 2HD HIS 34 -18.120 0.635 -1.939 254 HE1 HIS 34 1HE HIS 34 -18.819 0.174 -6.098 255 HE2 HIS 34 2HE HIS 34 -19.559 1.314 -3.978 256 HA PRO 35 HA PRO 35 -14.220 -2.496 -7.266 257 1HB PRO 35 2HB PRO 35 -11.369 -2.368 -7.534 258 2HB PRO 35 1HB PRO 35 -12.574 -1.274 -8.213 259 1HG PRO 35 2HG PRO 35 -10.761 -0.567 -6.269 260 2HG PRO 35 1HG PRO 35 -12.307 0.252 -6.541 261 1HD PRO 35 2HD PRO 35 -11.595 -1.831 -4.506 262 2HD PRO 35 1HD PRO 35 -12.572 -0.359 -4.319 263 H SER 36 H SER 36 -11.084 -3.484 -5.908 264 HA SER 36 HA SER 36 -11.929 -6.212 -5.567 265 1HB SER 36 2HB SER 36 -11.610 -6.169 -7.989 266 2HB SER 36 1HB SER 36 -9.982 -5.522 -7.782 267 HG SER 36 HG SER 36 -10.886 -8.035 -6.816 268 H ASP 37 H ASP 37 -8.714 -6.348 -6.415 269 HA ASP 37 HA ASP 37 -7.825 -5.676 -3.690 270 1HB ASP 37 2HB ASP 37 -6.737 -8.003 -5.272 271 2HB ASP 37 1HB ASP 37 -6.508 -7.649 -3.562 272 H ILE 38 H ILE 38 -5.443 -5.390 -3.530 273 HA ILE 38 HA ILE 38 -4.121 -4.617 -6.013 274 HB ILE 38 HB ILE 38 -4.244 -2.690 -3.698 275 1HG1 ILE 38 2HG1 ILE 38 -5.768 -2.552 -6.309 276 2HG1 ILE 38 1HG1 ILE 38 -6.478 -2.965 -4.751 277 1HG2 ILE 38 1HG2 ILE 38 -3.298 -1.113 -5.309 278 2HG2 ILE 38 2HG2 ILE 38 -3.275 -2.381 -6.537 279 3HG2 ILE 38 3HG2 ILE 38 -2.260 -2.524 -5.101 280 1HD1 ILE 38 1HD1 ILE 38 -6.255 -0.442 -5.875 281 2HD1 ILE 38 2HD1 ILE 38 -5.027 -0.478 -4.609 282 3HD1 ILE 38 3HD1 ILE 38 -6.710 -0.829 -4.216 283 H GLU 39 H GLU 39 -1.961 -4.977 -5.977 284 HA GLU 39 HA GLU 39 -0.710 -5.548 -3.375 285 1HB GLU 39 2HB GLU 39 -1.356 -7.597 -4.828 286 2HB GLU 39 1HB GLU 39 0.001 -7.115 -5.837 287 1HG GLU 39 2HG GLU 39 1.293 -7.115 -3.559 288 2HG GLU 39 1HG GLU 39 -0.016 -8.188 -3.065 289 H VAL 40 H VAL 40 1.445 -5.003 -3.158 290 HA VAL 40 HA VAL 40 2.812 -3.780 -5.433 291 HB VAL 40 HB VAL 40 2.526 -2.350 -2.786 292 1HG1 VAL 40 1HG1 VAL 40 3.503 -0.450 -4.174 293 2HG1 VAL 40 2HG1 VAL 40 3.954 -1.691 -5.343 294 3HG1 VAL 40 3HG1 VAL 40 4.601 -1.748 -3.702 295 1HG2 VAL 40 1HG2 VAL 40 1.322 -0.662 -4.356 296 2HG2 VAL 40 2HG2 VAL 40 0.437 -2.051 -3.725 297 3HG2 VAL 40 3HG2 VAL 40 1.060 -2.077 -5.375 298 H ASP 41 H ASP 41 5.015 -3.989 -5.375 299 HA ASP 41 HA ASP 41 6.443 -4.640 -2.978 300 1HB ASP 41 2HB ASP 41 5.389 -6.829 -3.542 301 2HB ASP 41 1HB ASP 41 6.222 -6.792 -5.093 302 H LEU 42 H LEU 42 8.288 -3.568 -3.216 303 HA LEU 42 HA LEU 42 9.896 -3.899 -5.581 304 1HB LEU 42 2HB LEU 42 9.956 -1.632 -6.295 305 2HB LEU 42 1HB LEU 42 8.273 -2.110 -6.208 306 HG LEU 42 HG LEU 42 9.777 -0.288 -4.340 307 1HD1 LEU 42 1HD1 LEU 42 8.373 1.388 -5.090 308 2HD1 LEU 42 2HD1 LEU 42 7.152 0.253 -5.663 309 3HD1 LEU 42 3HD1 LEU 42 8.660 0.453 -6.558 310 1HD2 LEU 42 1HD2 LEU 42 8.509 -1.617 -2.858 311 2HD2 LEU 42 2HD2 LEU 42 7.120 -1.639 -3.944 312 3HD2 LEU 42 3HD2 LEU 42 7.567 -0.148 -3.115 313 H LEU 43 H LEU 43 11.692 -1.919 -5.345 314 HA LEU 43 HA LEU 43 13.579 -1.313 -4.236 315 1HB LEU 43 2HB LEU 43 11.402 -0.999 -2.285 316 2HB LEU 43 1HB LEU 43 13.003 -1.121 -1.580 317 HG LEU 43 HG LEU 43 12.462 1.200 -1.886 318 1HD1 LEU 43 1HD1 LEU 43 14.788 0.317 -2.419 319 2HD1 LEU 43 2HD1 LEU 43 14.379 1.920 -3.028 320 3HD1 LEU 43 3HD1 LEU 43 14.358 0.532 -4.116 321 1HD2 LEU 43 1HD2 LEU 43 10.841 1.386 -3.498 322 2HD2 LEU 43 2HD2 LEU 43 11.668 0.297 -4.612 323 3HD2 LEU 43 3HD2 LEU 43 12.257 1.945 -4.389 324 H LYS 44 H LYS 44 15.204 -1.998 -2.618 325 HA LYS 44 HA LYS 44 14.897 -4.491 -1.265 326 1HB LYS 44 2HB LYS 44 16.707 -5.648 -2.627 327 2HB LYS 44 1HB LYS 44 15.121 -5.530 -3.375 328 1HG LYS 44 2HG LYS 44 16.625 -5.004 -5.078 329 2HG LYS 44 1HG LYS 44 16.003 -3.444 -4.539 330 1HD LYS 44 2HD LYS 44 18.360 -4.269 -3.050 331 2HD LYS 44 1HD LYS 44 18.667 -4.158 -4.784 332 1HE LYS 44 2HE LYS 44 17.385 -1.987 -3.132 333 2HE LYS 44 1HE LYS 44 19.097 -2.044 -3.550 334 1HZ LYS 44 1HZ LYS 44 16.810 -1.352 -5.196 335 2HZ LYS 44 2HZ LYS 44 17.984 -2.305 -5.955 336 3HZ LYS 44 3HZ LYS 44 18.411 -0.813 -5.283 337 1H SER 45 1HT SER 45 14.077 11.998 1.679 338 2H SER 45 2HT SER 45 14.667 11.535 3.223 339 3H SER 45 3HT SER 45 12.983 11.488 2.896 340 HA SER 45 HA SER 45 13.409 9.826 1.185 341 1HB SER 45 2HB SER 45 15.650 8.698 1.332 342 2HB SER 45 1HB SER 45 15.722 10.348 0.714 343 HG SER 45 HG SER 45 16.183 9.629 3.420 344 H ASN 46 H ASN 46 11.967 8.563 2.211 345 HA ASN 46 HA ASN 46 12.804 6.623 4.062 346 1HB ASN 46 2HB ASN 46 11.580 7.329 6.063 347 2HB ASN 46 1HB ASN 46 12.820 8.504 5.644 348 1HD2 ASN 46 1HD2 ASN 46 12.111 10.407 4.434 349 2HD2 ASN 46 2HD2 ASN 46 10.536 11.048 4.748 350 H PHE 47 H PHE 47 10.790 5.512 5.094 351 HA PHE 47 HA PHE 47 8.934 5.045 2.917 352 1HB PHE 47 2HB PHE 47 9.842 3.102 4.019 353 2HB PHE 47 1HB PHE 47 9.319 3.692 5.592 354 HD1 PHE 47 1HD PHE 47 7.875 2.837 2.258 355 HD2 PHE 47 2HD PHE 47 7.402 2.809 6.487 356 HE1 PHE 47 1HE PHE 47 5.760 1.605 2.010 357 HE2 PHE 47 2HE PHE 47 5.288 1.574 6.247 358 HZ PHE 47 HZ PHE 47 4.464 0.970 4.006 359 H LEU 48 H LEU 48 7.285 6.428 2.741 360 HA LEU 48 HA LEU 48 5.831 7.164 5.198 361 1HB LEU 48 2HB LEU 48 7.004 9.027 3.962 362 2HB LEU 48 1HB LEU 48 5.896 8.746 2.632 363 HG LEU 48 HG LEU 48 3.999 9.322 4.064 364 1HD1 LEU 48 1HD1 LEU 48 4.382 8.838 6.239 365 2HD1 LEU 48 2HD1 LEU 48 4.874 10.531 6.284 366 3HD1 LEU 48 3HD1 LEU 48 6.092 9.263 6.149 367 1HD2 LEU 48 1HD2 LEU 48 6.237 11.183 3.562 368 2HD2 LEU 48 2HD2 LEU 48 4.977 11.745 4.660 369 3HD2 LEU 48 3HD2 LEU 48 4.560 11.249 3.020 370 H ASN 49 H ASN 49 4.532 5.269 5.003 371 HA ASN 49 HA ASN 49 2.744 5.164 2.686 372 1HB ASN 49 2HB ASN 49 3.744 3.051 3.206 373 2HB ASN 49 1HB ASN 49 3.308 3.191 4.906 374 1HD2 ASN 49 1HD2 ASN 49 1.303 3.899 2.097 375 2HD2 ASN 49 2HD2 ASN 49 0.126 2.673 2.402 376 H CYS 50 H CYS 50 1.121 6.584 2.945 377 HA CYS 50 HA CYS 50 -0.084 7.063 5.524 378 1HB CYS 50 2HB CYS 50 0.226 8.632 3.351 379 2HB CYS 50 1HB CYS 50 -1.413 8.057 3.068 380 HG CYS 50 HG CYS 50 -0.544 9.990 5.283 381 H TYR 51 H TYR 51 -1.536 5.722 6.367 382 HA TYR 51 HA TYR 51 -3.357 4.304 4.532 383 1HB TYR 51 2HB TYR 51 -1.767 2.841 5.775 384 2HB TYR 51 1HB TYR 51 -2.465 3.418 7.283 385 HD1 TYR 51 1HD TYR 51 -2.596 0.900 4.831 386 HD2 TYR 51 2HD TYR 51 -5.072 3.109 7.494 387 HE1 TYR 51 1HE TYR 51 -4.295 -0.874 4.715 388 HE2 TYR 51 2HE TYR 51 -6.777 1.341 7.385 389 HH TYR 51 HH TYR 51 -7.466 -0.475 6.041 390 H VAL 52 H VAL 52 -5.176 5.500 4.520 391 HA VAL 52 HA VAL 52 -6.328 6.261 7.123 392 HB VAL 52 HB VAL 52 -7.603 7.993 5.956 393 1HG1 VAL 52 1HG1 VAL 52 -4.694 8.257 5.234 394 2HG1 VAL 52 2HG1 VAL 52 -5.301 8.406 6.883 395 3HG1 VAL 52 3HG1 VAL 52 -5.832 9.541 5.642 396 1HG2 VAL 52 1HG2 VAL 52 -6.499 6.649 3.588 397 2HG2 VAL 52 2HG2 VAL 52 -6.474 8.412 3.530 398 3HG2 VAL 52 3HG2 VAL 52 -7.997 7.559 3.785 399 H SER 53 H SER 53 -7.891 4.957 7.736 400 HA SER 53 HA SER 53 -9.137 2.994 6.268 401 1HB SER 53 2HB SER 53 -10.568 2.682 8.095 402 2HB SER 53 1HB SER 53 -9.150 3.441 8.818 403 HG SER 53 HG SER 53 -10.349 5.477 8.498 404 H GLY 54 H GLY 54 -11.699 2.942 6.150 405 1HA GLY 54 2HA GLY 54 -13.495 4.755 5.630 406 2HA GLY 54 1HA GLY 54 -12.404 5.110 4.297 407 H PHE 55 H PHE 55 -11.669 2.289 3.969 408 HA PHE 55 HA PHE 55 -13.981 1.497 2.381 409 1HB PHE 55 2HB PHE 55 -12.516 0.123 1.137 410 2HB PHE 55 1HB PHE 55 -11.604 1.590 1.465 411 HD1 PHE 55 1HD PHE 55 -10.449 -1.060 0.642 412 HD2 PHE 55 2HD PHE 55 -11.153 0.627 4.485 413 HE1 PHE 55 1HE PHE 55 -8.619 -2.415 1.571 414 HE2 PHE 55 2HE PHE 55 -9.326 -0.722 5.417 415 HZ PHE 55 HZ PHE 55 -8.054 -2.246 3.961 416 H HIS 56 H HIS 56 -13.490 -1.258 2.228 417 HA HIS 56 HA HIS 56 -13.394 -2.504 4.769 418 1HB HIS 56 2HB HIS 56 -15.842 -1.297 4.260 419 2HB HIS 56 1HB HIS 56 -16.109 -2.979 3.817 420 HD1 HIS 56 1HD HIS 56 -17.550 -3.614 5.789 421 HD2 HIS 56 2HD HIS 56 -13.913 -1.949 6.911 422 HE1 HIS 56 1HE HIS 56 -17.388 -3.967 8.272 423 HE2 HIS 56 2HE HIS 56 -15.247 -2.827 8.946 424 HA PRO 57 HA PRO 57 -14.294 -5.719 1.426 425 1HB PRO 57 2HB PRO 57 -15.776 -5.173 -0.713 426 2HB PRO 57 1HB PRO 57 -16.518 -5.299 0.887 427 1HG PRO 57 2HG PRO 57 -15.932 -2.888 -0.740 428 2HG PRO 57 1HG PRO 57 -17.237 -3.170 0.422 429 1HD PRO 57 2HD PRO 57 -14.776 -1.803 0.870 430 2HD PRO 57 1HD PRO 57 -16.024 -2.197 2.066 431 H SER 58 H SER 58 -11.917 -4.713 1.244 432 HA SER 58 HA SER 58 -11.197 -4.987 -1.527 433 1HB SER 58 2HB SER 58 -11.670 -2.396 -0.673 434 2HB SER 58 1HB SER 58 -9.921 -2.559 -0.514 435 HG SER 58 HG SER 58 -9.742 -2.912 -2.647 436 H ASP 59 H ASP 59 -8.884 -5.163 -1.850 437 HA ASP 59 HA ASP 59 -7.486 -5.951 0.622 438 1HB ASP 59 2HB ASP 59 -7.778 -7.256 -1.987 439 2HB ASP 59 1HB ASP 59 -6.113 -7.189 -1.419 440 H ILE 60 H ILE 60 -5.454 -5.185 1.013 441 HA ILE 60 HA ILE 60 -4.156 -3.555 -1.051 442 HB ILE 60 HB ILE 60 -4.274 -2.540 1.768 443 1HG1 ILE 60 2HG1 ILE 60 -6.608 -2.810 0.928 444 2HG1 ILE 60 1HG1 ILE 60 -6.160 -1.133 1.216 445 1HG2 ILE 60 1HG2 ILE 60 -3.329 -1.577 -0.853 446 2HG2 ILE 60 2HG2 ILE 60 -2.705 -1.264 0.767 447 3HG2 ILE 60 3HG2 ILE 60 -4.114 -0.380 0.179 448 1HD1 ILE 60 1HD1 ILE 60 -6.703 -0.614 -0.860 449 2HD1 ILE 60 2HD1 ILE 60 -7.208 -2.281 -1.127 450 3HD1 ILE 60 3HD1 ILE 60 -5.552 -1.794 -1.485 451 H GLU 61 H GLU 61 -2.354 -4.739 -1.335 452 HA GLU 61 HA GLU 61 -0.770 -5.406 1.061 453 1HB GLU 61 2HB GLU 61 -1.752 -7.194 -0.746 454 2HB GLU 61 1HB GLU 61 -0.164 -6.866 -1.427 455 1HG GLU 61 2HG GLU 61 -0.678 -7.752 1.403 456 2HG GLU 61 1HG GLU 61 -0.194 -8.810 0.079 457 H VAL 62 H VAL 62 1.199 -4.526 1.217 458 HA VAL 62 HA VAL 62 2.464 -3.471 -1.216 459 HB VAL 62 HB VAL 62 2.436 -1.978 1.407 460 1HG1 VAL 62 1HG1 VAL 62 4.286 -1.161 0.365 461 2HG1 VAL 62 2HG1 VAL 62 3.071 -0.139 -0.405 462 3HG1 VAL 62 3HG1 VAL 62 3.692 -1.560 -1.247 463 1HG2 VAL 62 1HG2 VAL 62 0.333 -1.418 0.880 464 2HG2 VAL 62 2HG2 VAL 62 0.478 -2.057 -0.757 465 3HG2 VAL 62 3HG2 VAL 62 1.055 -0.432 -0.392 466 H ASP 63 H ASP 63 4.700 -3.504 -1.258 467 HA ASP 63 HA ASP 63 6.091 -4.597 1.073 468 1HB ASP 63 2HB ASP 63 5.780 -5.896 -1.578 469 2HB ASP 63 1HB ASP 63 7.377 -5.974 -0.842 470 H LEU 64 H LEU 64 8.296 -4.115 1.183 471 HA LEU 64 HA LEU 64 9.519 -2.534 -0.921 472 1HB LEU 64 2HB LEU 64 8.491 -1.394 1.587 473 2HB LEU 64 1HB LEU 64 10.149 -0.960 1.219 474 HG LEU 64 HG LEU 64 9.018 -0.438 -1.166 475 1HD1 LEU 64 1HD1 LEU 64 6.796 -1.002 0.321 476 2HD1 LEU 64 2HD1 LEU 64 6.824 -0.011 -1.138 477 3HD1 LEU 64 3HD1 LEU 64 6.896 0.754 0.449 478 1HD2 LEU 64 1HD2 LEU 64 8.582 1.798 0.623 479 2HD2 LEU 64 2HD2 LEU 64 9.752 1.607 -0.683 480 3HD2 LEU 64 3HD2 LEU 64 10.125 1.001 0.930 481 H LEU 65 H LEU 65 10.699 -4.615 -0.815 482 HA LEU 65 HA LEU 65 13.246 -4.500 -0.016 483 1HB LEU 65 2HB LEU 65 12.749 -4.148 2.283 484 2HB LEU 65 1HB LEU 65 11.578 -5.448 2.309 485 HG LEU 65 HG LEU 65 13.817 -5.837 3.472 486 1HD1 LEU 65 1HD1 LEU 65 12.042 -7.543 2.371 487 2HD1 LEU 65 2HD1 LEU 65 13.459 -8.045 3.294 488 3HD1 LEU 65 3HD1 LEU 65 13.516 -8.022 1.531 489 1HD2 LEU 65 1HD2 LEU 65 15.729 -5.814 2.339 490 2HD2 LEU 65 2HD2 LEU 65 14.837 -5.073 1.011 491 3HD2 LEU 65 3HD2 LEU 65 15.066 -6.821 1.053 492 H LYS 66 H LYS 66 14.336 -6.273 -0.711 493 HA LYS 66 HA LYS 66 13.103 -8.881 -0.747 494 1HB LYS 66 2HB LYS 66 12.339 -7.521 -2.838 495 2HB LYS 66 1HB LYS 66 13.971 -7.829 -3.417 496 1HG LYS 66 2HG LYS 66 12.500 -9.493 -4.310 497 2HG LYS 66 1HG LYS 66 13.573 -10.253 -3.134 498 1HD LYS 66 2HD LYS 66 11.098 -9.254 -1.955 499 2HD LYS 66 1HD LYS 66 10.829 -10.474 -3.201 500 1HE LYS 66 2HE LYS 66 12.771 -10.823 -0.927 501 2HE LYS 66 1HE LYS 66 11.092 -11.353 -0.856 502 1HZ LYS 66 1HZ LYS 66 11.872 -12.463 -3.147 503 2HZ LYS 66 2HZ LYS 66 11.965 -13.248 -1.651 504 3HZ LYS 66 3HZ LYS 66 13.335 -12.496 -2.296 505 1H SER 67 1HT SER 67 15.381 0.630 6.674 506 2H SER 67 2HT SER 67 15.691 0.821 8.352 507 3H SER 67 3HT SER 67 16.989 0.542 7.263 508 HA SER 67 HA SER 67 17.107 2.763 7.690 509 1HB SER 67 2HB SER 67 16.592 1.810 5.179 510 2HB SER 67 1HB SER 67 15.384 3.089 5.318 511 HG SER 67 HG SER 67 18.106 3.500 5.969 512 H ASN 68 H ASN 68 15.504 4.835 6.730 513 HA ASN 68 HA ASN 68 13.890 5.410 8.922 514 1HB ASN 68 2HB ASN 68 13.677 6.563 6.134 515 2HB ASN 68 1HB ASN 68 13.046 7.295 7.606 516 1HD2 ASN 68 1HD2 ASN 68 15.098 6.915 9.356 517 2HD2 ASN 68 2HD2 ASN 68 16.488 7.801 8.835 518 H PHE 69 H PHE 69 11.874 4.903 9.486 519 HA PHE 69 HA PHE 69 10.064 3.815 7.438 520 1HB PHE 69 2HB PHE 69 10.796 1.876 8.580 521 2HB PHE 69 1HB PHE 69 10.724 2.672 10.147 522 HD1 PHE 69 1HD PHE 69 8.603 2.973 11.293 523 HD2 PHE 69 2HD PHE 69 8.822 0.959 7.551 524 HE1 PHE 69 1HE PHE 69 6.345 2.066 11.655 525 HE2 PHE 69 2HE PHE 69 6.564 0.050 7.906 526 HZ PHE 69 HZ PHE 69 5.323 0.603 9.959 527 H LEU 70 H LEU 70 7.954 4.426 7.577 528 HA LEU 70 HA LEU 70 6.893 5.693 9.937 529 1HB LEU 70 2HB LEU 70 8.237 7.435 8.544 530 2HB LEU 70 1HB LEU 70 6.866 7.368 7.453 531 HG LEU 70 HG LEU 70 5.372 8.100 9.235 532 1HD1 LEU 70 1HD1 LEU 70 6.700 9.014 11.322 533 2HD1 LEU 70 2HD1 LEU 70 7.808 7.712 10.890 534 3HD1 LEU 70 3HD1 LEU 70 6.121 7.350 11.254 535 1HD2 LEU 70 1HD2 LEU 70 7.536 10.080 9.511 536 2HD2 LEU 70 2HD2 LEU 70 5.871 10.282 8.965 537 3HD2 LEU 70 3HD2 LEU 70 7.091 9.651 7.860 538 H ASN 71 H ASN 71 5.243 4.219 9.921 539 HA ASN 71 HA ASN 71 3.523 4.156 7.534 540 1HB ASN 71 2HB ASN 71 4.471 1.979 8.269 541 2HB ASN 71 1HB ASN 71 3.647 2.170 9.814 542 1HD2 ASN 71 1HD2 ASN 71 3.365 0.096 7.792 543 2HD2 ASN 71 2HD2 ASN 71 1.700 0.094 7.334 544 H CYS 72 H CYS 72 1.649 5.180 7.632 545 HA CYS 72 HA CYS 72 0.629 6.046 10.230 546 1HB CYS 72 2HB CYS 72 0.385 7.006 7.442 547 2HB CYS 72 1HB CYS 72 -1.048 7.201 8.444 548 HG CYS 72 HG CYS 72 0.289 9.336 8.789 549 H TYR 73 H TYR 73 0.174 3.581 10.401 550 HA TYR 73 HA TYR 73 -2.106 2.571 9.014 551 1HB TYR 73 2HB TYR 73 -1.990 0.866 11.038 552 2HB TYR 73 1HB TYR 73 -0.820 0.811 9.726 553 HD1 TYR 73 1HD TYR 73 1.138 0.009 10.684 554 HD2 TYR 73 2HD TYR 73 -0.998 3.112 12.662 555 HE1 TYR 73 1HE TYR 73 2.972 0.230 12.306 556 HE2 TYR 73 2HE TYR 73 0.830 3.341 14.289 557 HH TYR 73 HH TYR 73 2.677 1.925 15.195 558 H VAL 74 H VAL 74 -3.451 4.506 9.469 559 HA VAL 74 HA VAL 74 -4.635 4.520 12.151 560 HB VAL 74 HB VAL 74 -5.176 6.451 9.894 561 1HG1 VAL 74 1HG1 VAL 74 -5.718 7.878 12.021 562 2HG1 VAL 74 2HG1 VAL 74 -5.935 6.298 12.773 563 3HG1 VAL 74 3HG1 VAL 74 -6.909 6.749 11.374 564 1HG2 VAL 74 1HG2 VAL 74 -2.820 6.546 10.423 565 2HG2 VAL 74 2HG2 VAL 74 -3.181 6.658 12.146 566 3HG2 VAL 74 3HG2 VAL 74 -3.627 7.977 11.064 567 H SER 75 H SER 75 -6.039 2.819 12.196 568 HA SER 75 HA SER 75 -8.573 3.130 11.009 569 1HB SER 75 2HB SER 75 -8.584 1.169 9.510 570 2HB SER 75 1HB SER 75 -7.441 2.397 8.964 571 HG SER 75 HG SER 75 -6.966 -0.149 9.544 572 H GLY 76 H GLY 76 -6.761 0.115 11.512 573 1HA GLY 76 2HA GLY 76 -7.168 -0.527 14.079 574 2HA GLY 76 1HA GLY 76 -8.776 -0.763 13.412 575 H PHE 77 H PHE 77 -7.803 -1.683 10.827 576 HA PHE 77 HA PHE 77 -7.279 -3.624 9.768 577 1HB PHE 77 2HB PHE 77 -5.459 -4.043 12.148 578 2HB PHE 77 1HB PHE 77 -5.400 -4.959 10.646 579 HD1 PHE 77 1HD PHE 77 -5.803 -2.732 8.698 580 HD2 PHE 77 2HD PHE 77 -3.370 -3.009 12.179 581 HE1 PHE 77 1HE PHE 77 -4.257 -1.072 7.745 582 HE2 PHE 77 2HE PHE 77 -1.822 -1.348 11.233 583 HZ PHE 77 HZ PHE 77 -2.263 -0.378 9.013 584 H HIS 78 H HIS 78 -9.059 -4.865 9.722 585 HA HIS 78 HA HIS 78 -9.244 -7.157 11.347 586 1HB HIS 78 2HB HIS 78 -10.780 -4.781 12.216 587 2HB HIS 78 1HB HIS 78 -11.674 -6.297 12.169 588 HD1 HIS 78 1HD HIS 78 -9.260 -8.113 13.108 589 HD2 HIS 78 2HD HIS 78 -10.552 -4.622 14.955 590 HE1 HIS 78 1HE HIS 78 -8.483 -8.287 15.494 591 HE2 HIS 78 2HE HIS 78 -9.353 -6.205 16.613 592 HA PRO 79 HA PRO 79 -13.172 -7.022 8.566 593 1HB PRO 79 2HB PRO 79 -13.675 -4.703 7.204 594 2HB PRO 79 1HB PRO 79 -14.377 -5.098 8.775 595 1HG PRO 79 2HG PRO 79 -12.068 -3.323 8.124 596 2HG PRO 79 1HG PRO 79 -13.337 -3.116 9.341 597 1HD PRO 79 2HD PRO 79 -10.829 -3.968 9.943 598 2HD PRO 79 1HD PRO 79 -12.263 -4.448 10.870 599 H SER 80 H SER 80 -11.529 -4.451 6.754 600 HA SER 80 HA SER 80 -11.383 -5.891 4.369 601 1HB SER 80 2HB SER 80 -9.700 -4.148 3.691 602 2HB SER 80 1HB SER 80 -11.207 -3.493 4.333 603 HG SER 80 HG SER 80 -10.146 -2.667 5.952 604 H ASP 81 H ASP 81 -9.033 -6.007 3.261 605 HA ASP 81 HA ASP 81 -7.344 -7.620 5.061 606 1HB ASP 81 2HB ASP 81 -8.734 -8.504 2.791 607 2HB ASP 81 1HB ASP 81 -7.054 -8.363 2.276 608 H ILE 82 H ILE 82 -5.582 -6.450 5.457 609 HA ILE 82 HA ILE 82 -4.068 -5.419 3.178 610 HB ILE 82 HB ILE 82 -3.565 -3.317 4.331 611 1HG1 ILE 82 2HG1 ILE 82 -3.992 -4.179 6.643 612 2HG1 ILE 82 1HG1 ILE 82 -4.747 -2.624 6.315 613 1HG2 ILE 82 1HG2 ILE 82 -6.549 -3.510 4.198 614 2HG2 ILE 82 2HG2 ILE 82 -5.566 -3.697 2.747 615 3HG2 ILE 82 3HG2 ILE 82 -5.490 -2.200 3.674 616 1HD1 ILE 82 1HD1 ILE 82 -5.941 -5.121 7.110 617 2HD1 ILE 82 2HD1 ILE 82 -6.680 -4.497 5.635 618 3HD1 ILE 82 3HD1 ILE 82 -6.630 -3.497 7.086 619 H GLU 83 H GLU 83 -1.817 -4.893 3.739 620 HA GLU 83 HA GLU 83 -0.694 -5.701 6.218 621 1HB GLU 83 2HB GLU 83 -1.297 -7.920 5.220 622 2HB GLU 83 1HB GLU 83 -0.189 -7.573 3.900 623 1HG GLU 83 2HG GLU 83 1.650 -7.402 5.542 624 2HG GLU 83 1HG GLU 83 0.518 -7.870 6.809 625 H VAL 84 H VAL 84 1.130 -4.584 6.451 626 HA VAL 84 HA VAL 84 2.493 -3.631 4.019 627 HB VAL 84 HB VAL 84 2.626 -2.381 6.762 628 1HG1 VAL 84 1HG1 VAL 84 4.345 -2.074 4.701 629 2HG1 VAL 84 2HG1 VAL 84 3.992 -0.817 5.888 630 3HG1 VAL 84 3HG1 VAL 84 3.167 -0.814 4.329 631 1HG2 VAL 84 1HG2 VAL 84 1.196 -0.589 5.527 632 2HG2 VAL 84 2HG2 VAL 84 0.411 -2.009 6.217 633 3HG2 VAL 84 3HG2 VAL 84 0.740 -1.938 4.486 634 H ASP 85 H ASP 85 4.510 -4.277 3.650 635 HA ASP 85 HA ASP 85 6.184 -5.146 5.891 636 1HB ASP 85 2HB ASP 85 5.134 -7.176 4.948 637 2HB ASP 85 1HB ASP 85 5.784 -6.765 3.364 638 H LEU 86 H LEU 86 7.642 -3.522 5.739 639 HA LEU 86 HA LEU 86 8.845 -2.966 3.119 640 1HB LEU 86 2HB LEU 86 9.312 -1.367 5.618 641 2HB LEU 86 1HB LEU 86 9.532 -0.872 3.952 642 HG LEU 86 HG LEU 86 7.628 0.277 4.726 643 1HD1 LEU 86 1HD1 LEU 86 7.118 -0.374 2.568 644 2HD1 LEU 86 2HD1 LEU 86 5.713 -0.925 3.480 645 3HD1 LEU 86 3HD1 LEU 86 6.963 -2.075 3.007 646 1HD2 LEU 86 1HD2 LEU 86 6.178 -2.190 5.547 647 2HD2 LEU 86 2HD2 LEU 86 5.979 -0.527 6.097 648 3HD2 LEU 86 3HD2 LEU 86 7.357 -1.478 6.649 649 H LEU 87 H LEU 87 11.257 -1.933 3.845 650 HA LEU 87 HA LEU 87 12.819 -4.261 4.233 651 1HB LEU 87 2HB LEU 87 14.726 -2.554 4.443 652 2HB LEU 87 1HB LEU 87 13.874 -2.671 2.920 653 HG LEU 87 HG LEU 87 14.487 -0.342 3.920 654 1HD1 LEU 87 1HD1 LEU 87 11.710 -0.177 3.075 655 2HD1 LEU 87 2HD1 LEU 87 12.695 -1.212 2.041 656 3HD1 LEU 87 3HD1 LEU 87 13.171 0.462 2.323 657 1HD2 LEU 87 1HD2 LEU 87 13.567 -0.431 6.078 658 2HD2 LEU 87 2HD2 LEU 87 12.032 -1.069 5.494 659 3HD2 LEU 87 3HD2 LEU 87 12.478 0.599 5.152 660 H LYS 88 H LYS 88 11.600 -4.765 6.320 661 HA LYS 88 HA LYS 88 11.688 -5.127 8.563 662 1HB LYS 88 2HB LYS 88 14.442 -3.908 8.290 663 2HB LYS 88 1HB LYS 88 13.850 -4.757 9.710 664 1HG LYS 88 2HG LYS 88 14.014 -6.027 6.992 665 2HG LYS 88 1HG LYS 88 15.326 -6.085 8.172 666 1HD LYS 88 2HD LYS 88 12.520 -7.040 8.724 667 2HD LYS 88 1HD LYS 88 13.826 -8.091 8.174 668 1HE LYS 88 2HE LYS 88 14.096 -8.402 10.401 669 2HE LYS 88 1HE LYS 88 15.057 -6.933 10.245 670 1HZ LYS 88 1HZ LYS 88 12.239 -6.479 10.683 671 2HZ LYS 88 2HZ LYS 88 13.578 -5.752 11.413 672 3HZ LYS 88 3HZ LYS 88 13.023 -7.250 11.968 Start of MODEL 8 1 1H SER 1 1HT SER 1 15.632 8.601 -4.492 2 2H SER 1 2HT SER 1 15.575 10.226 -5.043 3 3H SER 1 3HT SER 1 16.553 9.073 -5.857 4 HA SER 1 HA SER 1 14.729 9.293 -7.190 5 1HB SER 1 2HB SER 1 13.613 7.103 -6.962 6 2HB SER 1 1HB SER 1 15.352 6.966 -6.698 7 HG SER 1 HG SER 1 13.256 6.861 -4.818 8 H ASN 2 H ASN 2 13.753 9.021 -3.802 9 HA ASN 2 HA ASN 2 11.945 9.793 -2.662 10 1HB ASN 2 2HB ASN 2 12.707 11.909 -3.909 11 2HB ASN 2 1HB ASN 2 11.357 11.603 -4.996 12 1HD2 ASN 2 1HD2 ASN 2 12.306 12.499 -1.781 13 2HD2 ASN 2 2HD2 ASN 2 10.759 13.068 -1.263 14 H PHE 3 H PHE 3 11.380 7.461 -3.689 15 HA PHE 3 HA PHE 3 9.328 7.263 -5.585 16 1HB PHE 3 2HB PHE 3 10.615 5.319 -4.887 17 2HB PHE 3 1HB PHE 3 9.982 5.451 -3.250 18 HD1 PHE 3 1HD PHE 3 7.881 4.541 -2.671 19 HD2 PHE 3 2HD PHE 3 9.101 4.670 -6.746 20 HE1 PHE 3 1HE PHE 3 6.008 3.063 -3.273 21 HE2 PHE 3 2HE PHE 3 7.229 3.193 -7.357 22 HZ PHE 3 HZ PHE 3 5.680 2.389 -5.620 23 H LEU 4 H LEU 4 7.373 8.138 -5.493 24 HA LEU 4 HA LEU 4 5.970 8.172 -2.902 25 1HB LEU 4 2HB LEU 4 4.890 10.258 -3.564 26 2HB LEU 4 1HB LEU 4 6.634 10.433 -3.506 27 HG LEU 4 HG LEU 4 6.159 9.771 -6.150 28 1HD1 LEU 4 1HD1 LEU 4 3.685 10.335 -5.331 29 2HD1 LEU 4 2HD1 LEU 4 4.271 10.738 -6.945 30 3HD1 LEU 4 3HD1 LEU 4 4.239 11.972 -5.684 31 1HD2 LEU 4 1HD2 LEU 4 6.508 12.294 -6.471 32 2HD2 LEU 4 2HD2 LEU 4 7.768 11.383 -5.639 33 3HD2 LEU 4 3HD2 LEU 4 6.628 12.362 -4.713 34 H ASN 5 H ASN 5 4.680 6.414 -3.171 35 HA ASN 5 HA ASN 5 3.260 5.974 -5.654 36 1HB ASN 5 2HB ASN 5 4.200 4.255 -3.807 37 2HB ASN 5 1HB ASN 5 2.543 4.421 -3.228 38 1HD2 ASN 5 1HD2 ASN 5 4.067 4.253 -6.432 39 2HD2 ASN 5 2HD2 ASN 5 3.066 2.977 -7.027 40 H CYS 6 H CYS 6 1.838 7.672 -5.897 41 HA CYS 6 HA CYS 6 -0.028 8.295 -3.756 42 1HB CYS 6 2HB CYS 6 0.660 9.523 -6.395 43 2HB CYS 6 1HB CYS 6 -0.901 9.889 -5.667 44 HG CYS 6 HG CYS 6 0.437 10.865 -3.597 45 H TYR 7 H TYR 7 -1.560 6.773 -3.519 46 HA TYR 7 HA TYR 7 -2.974 5.840 -5.924 47 1HB TYR 7 2HB TYR 7 -1.924 4.086 -4.512 48 2HB TYR 7 1HB TYR 7 -2.930 4.603 -3.164 49 HD1 TYR 7 1HD TYR 7 -2.649 2.332 -5.823 50 HD2 TYR 7 2HD TYR 7 -5.530 4.610 -3.675 51 HE1 TYR 7 1HE TYR 7 -4.414 0.790 -6.567 52 HE2 TYR 7 2HE TYR 7 -7.303 3.074 -4.414 53 HH TYR 7 HH TYR 7 -6.618 0.080 -5.949 54 H VAL 8 H VAL 8 -4.868 6.766 -6.300 55 HA VAL 8 HA VAL 8 -6.465 7.679 -3.998 56 HB VAL 8 HB VAL 8 -5.614 9.597 -5.236 57 1HG1 VAL 8 1HG1 VAL 8 -6.120 7.962 -7.498 58 2HG1 VAL 8 2HG1 VAL 8 -5.332 9.538 -7.432 59 3HG1 VAL 8 3HG1 VAL 8 -7.077 9.434 -7.662 60 1HG2 VAL 8 1HG2 VAL 8 -7.966 9.524 -4.268 61 2HG2 VAL 8 2HG2 VAL 8 -8.526 9.323 -5.927 62 3HG2 VAL 8 3HG2 VAL 8 -7.638 10.775 -5.466 63 H SER 9 H SER 9 -7.634 5.711 -3.915 64 HA SER 9 HA SER 9 -9.209 4.163 -4.527 65 1HB SER 9 2HB SER 9 -11.298 5.111 -5.246 66 2HB SER 9 1HB SER 9 -10.527 6.284 -4.181 67 HG SER 9 HG SER 9 -11.013 7.527 -5.847 68 H GLY 10 H GLY 10 -10.855 3.837 -6.704 69 1HA GLY 10 2HA GLY 10 -10.908 3.412 -9.001 70 2HA GLY 10 1HA GLY 10 -9.247 3.969 -9.121 71 H PHE 11 H PHE 11 -10.233 1.689 -10.414 72 HA PHE 11 HA PHE 11 -8.259 -0.184 -9.890 73 1HB PHE 11 2HB PHE 11 -10.151 -0.374 -7.909 74 2HB PHE 11 1HB PHE 11 -10.703 -1.587 -9.061 75 HD1 PHE 11 1HD PHE 11 -8.533 -2.947 -10.080 76 HD2 PHE 11 2HD PHE 11 -8.883 -1.219 -6.207 77 HE1 PHE 11 1HE PHE 11 -6.846 -4.524 -9.231 78 HE2 PHE 11 2HE PHE 11 -7.196 -2.792 -5.349 79 HZ PHE 11 HZ PHE 11 -6.173 -4.446 -6.861 80 H HIS 12 H HIS 12 -7.997 -0.866 -11.909 81 HA HIS 12 HA HIS 12 -10.312 -1.151 -13.654 82 1HB HIS 12 2HB HIS 12 -7.685 -1.804 -14.796 83 2HB HIS 12 1HB HIS 12 -8.934 -0.717 -15.387 84 HD1 HIS 12 1HD HIS 12 -9.010 1.651 -13.889 85 HD2 HIS 12 2HD HIS 12 -5.456 -0.495 -14.032 86 HE1 HIS 12 1HE HIS 12 -7.214 3.284 -13.237 87 HE2 HIS 12 2HE HIS 12 -5.062 1.987 -13.423 88 HA PRO 13 HA PRO 13 -8.652 -5.585 -13.872 89 1HB PRO 13 2HB PRO 13 -6.412 -6.328 -12.603 90 2HB PRO 13 1HB PRO 13 -6.366 -5.460 -14.141 91 1HG PRO 13 2HG PRO 13 -5.878 -4.447 -11.382 92 2HG PRO 13 1HG PRO 13 -5.093 -3.993 -12.902 93 1HD PRO 13 2HD PRO 13 -7.138 -2.579 -11.625 94 2HD PRO 13 1HD PRO 13 -6.622 -2.367 -13.308 95 H SER 14 H SER 14 -6.971 -5.910 -10.857 96 HA SER 14 HA SER 14 -9.106 -5.959 -9.057 97 1HB SER 14 2HB SER 14 -9.794 -8.198 -8.948 98 2HB SER 14 1HB SER 14 -9.704 -7.892 -10.682 99 HG SER 14 HG SER 14 -8.431 -9.743 -9.293 100 H ASP 15 H ASP 15 -6.242 -7.908 -9.911 101 HA ASP 15 HA ASP 15 -5.273 -7.514 -7.157 102 1HB ASP 15 2HB ASP 15 -3.927 -9.588 -7.536 103 2HB ASP 15 1HB ASP 15 -5.668 -9.852 -7.572 104 H ILE 16 H ILE 16 -4.259 -5.533 -7.649 105 HA ILE 16 HA ILE 16 -1.601 -5.838 -8.734 106 HB ILE 16 HB ILE 16 -1.724 -4.093 -10.390 107 1HG1 ILE 16 2HG1 ILE 16 -4.246 -3.404 -10.962 108 2HG1 ILE 16 1HG1 ILE 16 -4.436 -3.681 -9.234 109 1HG2 ILE 16 1HG2 ILE 16 -2.333 -6.413 -11.042 110 2HG2 ILE 16 2HG2 ILE 16 -3.031 -5.172 -12.081 111 3HG2 ILE 16 3HG2 ILE 16 -4.030 -5.970 -10.866 112 1HD1 ILE 16 1HD1 ILE 16 -3.308 -1.825 -8.691 113 2HD1 ILE 16 2HD1 ILE 16 -3.696 -1.335 -10.341 114 3HD1 ILE 16 3HD1 ILE 16 -2.121 -2.043 -9.978 115 H GLU 17 H GLU 17 -0.799 -3.254 -8.912 116 HA GLU 17 HA GLU 17 -1.565 -1.267 -7.297 117 1HB GLU 17 2HB GLU 17 -1.799 -2.619 -5.350 118 2HB GLU 17 1HB GLU 17 -0.237 -3.381 -5.603 119 1HG GLU 17 2HG GLU 17 -0.171 -1.796 -3.765 120 2HG GLU 17 1HG GLU 17 0.881 -1.285 -5.083 121 H VAL 18 H VAL 18 1.479 -2.914 -6.555 122 HA VAL 18 HA VAL 18 2.903 -1.108 -8.371 123 HB VAL 18 HB VAL 18 3.681 -1.467 -5.470 124 1HG1 VAL 18 1HG1 VAL 18 5.691 -1.114 -6.527 125 2HG1 VAL 18 2HG1 VAL 18 5.191 0.546 -6.201 126 3HG1 VAL 18 3HG1 VAL 18 4.970 -0.141 -7.810 127 1HG2 VAL 18 1HG2 VAL 18 1.884 0.406 -6.750 128 2HG2 VAL 18 2HG2 VAL 18 3.238 1.233 -5.981 129 3HG2 VAL 18 3HG2 VAL 18 2.214 0.154 -5.036 130 H ASP 19 H ASP 19 4.719 -1.971 -9.274 131 HA ASP 19 HA ASP 19 5.931 -4.365 -8.191 132 1HB ASP 19 2HB ASP 19 3.958 -5.148 -9.563 133 2HB ASP 19 1HB ASP 19 4.762 -4.471 -10.975 134 H LEU 20 H LEU 20 7.717 -2.905 -8.065 135 HA LEU 20 HA LEU 20 8.818 -1.863 -10.538 136 1HB LEU 20 2HB LEU 20 9.277 -1.463 -7.659 137 2HB LEU 20 1HB LEU 20 10.725 -1.392 -8.646 138 HG LEU 20 HG LEU 20 9.756 0.829 -8.282 139 1HD1 LEU 20 1HD1 LEU 20 9.305 1.227 -10.887 140 2HD1 LEU 20 2HD1 LEU 20 10.058 -0.367 -10.966 141 3HD1 LEU 20 3HD1 LEU 20 10.916 0.978 -10.215 142 1HD2 LEU 20 1HD2 LEU 20 7.620 1.453 -8.987 143 2HD2 LEU 20 2HD2 LEU 20 7.374 -0.113 -8.214 144 3HD2 LEU 20 3HD2 LEU 20 7.420 0.005 -9.974 145 H LEU 21 H LEU 21 9.300 -3.763 -11.660 146 HA LEU 21 HA LEU 21 10.356 -5.759 -12.134 147 1HB LEU 21 2HB LEU 21 12.722 -5.408 -12.500 148 2HB LEU 21 1HB LEU 21 11.803 -3.999 -12.990 149 HG LEU 21 HG LEU 21 12.628 -3.626 -10.282 150 1HD1 LEU 21 1HD1 LEU 21 15.160 -3.481 -11.117 151 2HD1 LEU 21 2HD1 LEU 21 14.634 -4.882 -12.049 152 3HD1 LEU 21 3HD1 LEU 21 14.502 -4.893 -10.290 153 1HD2 LEU 21 1HD2 LEU 21 13.367 -2.321 -12.893 154 2HD2 LEU 21 2HD2 LEU 21 13.835 -1.701 -11.310 155 3HD2 LEU 21 3HD2 LEU 21 12.129 -1.806 -11.748 156 H LYS 22 H LYS 22 9.844 -7.299 -10.639 157 HA LYS 22 HA LYS 22 11.364 -7.444 -8.158 158 1HB LYS 22 2HB LYS 22 9.868 -9.518 -7.815 159 2HB LYS 22 1HB LYS 22 9.117 -7.930 -7.755 160 1HG LYS 22 2HG LYS 22 7.789 -9.580 -9.002 161 2HG LYS 22 1HG LYS 22 8.259 -8.196 -9.989 162 1HD LYS 22 2HD LYS 22 9.767 -9.429 -11.234 163 2HD LYS 22 1HD LYS 22 9.973 -10.643 -9.969 164 1HE LYS 22 2HE LYS 22 8.521 -11.929 -11.054 165 2HE LYS 22 1HE LYS 22 7.267 -10.746 -10.681 166 1HZ LYS 22 1HZ LYS 22 8.392 -9.602 -12.793 167 2HZ LYS 22 2HZ LYS 22 7.101 -10.689 -12.911 168 3HZ LYS 22 3HZ LYS 22 8.683 -11.225 -13.173 169 1H SER 23 1HT SER 23 14.651 3.539 -0.958 170 2H SER 23 2HT SER 23 15.667 4.399 0.124 171 3H SER 23 3HT SER 23 16.354 3.396 -1.088 172 HA SER 23 HA SER 23 16.459 5.776 -1.564 173 1HB SER 23 2HB SER 23 14.872 3.953 -3.389 174 2HB SER 23 1HB SER 23 15.623 5.462 -3.905 175 HG SER 23 HG SER 23 17.536 4.546 -3.844 176 H ASN 24 H ASN 24 14.551 6.041 0.365 177 HA ASN 24 HA ASN 24 12.764 7.304 0.977 178 1HB ASN 24 2HB ASN 24 13.403 8.446 -1.726 179 2HB ASN 24 1HB ASN 24 11.995 9.013 -0.832 180 1HD2 ASN 24 1HD2 ASN 24 14.396 10.453 -1.589 181 2HD2 ASN 24 2HD2 ASN 24 15.099 11.031 -0.122 182 H PHE 25 H PHE 25 11.327 5.582 1.171 183 HA PHE 25 HA PHE 25 9.578 5.070 -1.136 184 1HB PHE 25 2HB PHE 25 10.618 3.060 -0.267 185 2HB PHE 25 1HB PHE 25 10.079 3.442 1.364 186 HD1 PHE 25 1HD PHE 25 7.757 3.150 2.007 187 HD2 PHE 25 2HD PHE 25 9.111 2.141 -1.899 188 HE1 PHE 25 1HE PHE 25 5.693 1.864 1.630 189 HE2 PHE 25 2HE PHE 25 7.049 0.853 -2.285 190 HZ PHE 25 HZ PHE 25 5.336 0.713 -0.520 191 H LEU 26 H LEU 26 7.693 6.090 -1.133 192 HA LEU 26 HA LEU 26 6.332 6.528 1.436 193 1HB LEU 26 2HB LEU 26 6.236 8.542 -0.793 194 2HB LEU 26 1HB LEU 26 5.725 8.738 0.873 195 HG LEU 26 HG LEU 26 8.407 8.180 1.143 196 1HD1 LEU 26 1HD1 LEU 26 7.914 9.429 -1.489 197 2HD1 LEU 26 2HD1 LEU 26 9.245 8.410 -0.945 198 3HD1 LEU 26 3HD1 LEU 26 9.209 10.118 -0.511 199 1HD2 LEU 26 1HD2 LEU 26 8.625 10.533 1.717 200 2HD2 LEU 26 2HD2 LEU 26 7.112 9.878 2.344 201 3HD2 LEU 26 3HD2 LEU 26 7.103 10.888 0.897 202 H ASN 27 H ASN 27 4.846 4.919 1.164 203 HA ASN 27 HA ASN 27 3.199 4.960 -1.264 204 1HB ASN 27 2HB ASN 27 4.350 2.834 -0.087 205 2HB ASN 27 1HB ASN 27 2.814 2.837 0.773 206 1HD2 ASN 27 1HD2 ASN 27 0.922 3.339 -0.862 207 2HD2 ASN 27 2HD2 ASN 27 0.910 2.310 -2.249 208 H CYS 28 H CYS 28 1.482 6.243 -1.098 209 HA CYS 28 HA CYS 28 -0.102 6.132 1.381 210 1HB CYS 28 2HB CYS 28 -0.686 8.501 1.050 211 2HB CYS 28 1HB CYS 28 1.048 8.284 1.263 212 HG CYS 28 HG CYS 28 -0.128 8.705 -1.584 213 H TYR 29 H TYR 29 -2.184 5.582 1.114 214 HA TYR 29 HA TYR 29 -3.389 5.969 -1.534 215 1HB TYR 29 2HB TYR 29 -4.229 3.774 -1.665 216 2HB TYR 29 1HB TYR 29 -2.560 3.582 -1.146 217 HD1 TYR 29 1HD TYR 29 -2.095 2.234 0.688 218 HD2 TYR 29 2HD TYR 29 -6.018 3.820 0.245 219 HE1 TYR 29 1HE TYR 29 -2.851 0.893 2.606 220 HE2 TYR 29 2HE TYR 29 -6.780 2.486 2.165 221 HH TYR 29 HH TYR 29 -5.827 1.404 4.153 222 H VAL 30 H VAL 30 -5.711 5.999 -1.564 223 HA VAL 30 HA VAL 30 -6.937 6.539 1.055 224 HB VAL 30 HB VAL 30 -8.194 8.393 0.167 225 1HG1 VAL 30 1HG1 VAL 30 -5.664 8.557 0.877 226 2HG1 VAL 30 2HG1 VAL 30 -6.528 9.960 0.246 227 3HG1 VAL 30 3HG1 VAL 30 -5.456 9.036 -0.808 228 1HG2 VAL 30 1HG2 VAL 30 -7.044 9.025 -2.288 229 2HG2 VAL 30 2HG2 VAL 30 -8.677 8.420 -2.008 230 3HG2 VAL 30 3HG2 VAL 30 -7.373 7.294 -2.377 231 H SER 31 H SER 31 -8.867 5.622 1.397 232 HA SER 31 HA SER 31 -9.802 3.470 0.028 233 1HB SER 31 2HB SER 31 -10.772 3.750 2.117 234 2HB SER 31 1HB SER 31 -11.160 5.443 1.825 235 HG SER 31 HG SER 31 -13.033 4.832 1.120 236 H GLY 32 H GLY 32 -11.952 3.209 -1.100 237 1HA GLY 32 2HA GLY 32 -13.477 4.920 -2.435 238 2HA GLY 32 1HA GLY 32 -11.993 5.042 -3.368 239 H PHE 33 H PHE 33 -11.226 2.287 -3.152 240 HA PHE 33 HA PHE 33 -13.053 1.207 -5.142 241 1HB PHE 33 2HB PHE 33 -11.304 -0.524 -5.471 242 2HB PHE 33 1HB PHE 33 -10.700 1.115 -5.685 243 HD1 PHE 33 1HD PHE 33 -8.708 1.676 -4.692 244 HD2 PHE 33 2HD PHE 33 -11.021 -1.482 -3.023 245 HE1 PHE 33 1HE PHE 33 -6.911 1.216 -3.075 246 HE2 PHE 33 2HE PHE 33 -9.230 -1.945 -1.404 247 HZ PHE 33 HZ PHE 33 -7.169 -0.596 -1.432 248 H HIS 34 H HIS 34 -13.609 -1.128 -5.056 249 HA HIS 34 HA HIS 34 -14.673 -1.754 -2.430 250 1HB HIS 34 2HB HIS 34 -15.324 -2.421 -5.194 251 2HB HIS 34 1HB HIS 34 -15.404 -3.821 -4.129 252 HD1 HIS 34 1HD HIS 34 -17.634 -4.142 -3.128 253 HD2 HIS 34 2HD HIS 34 -16.870 -0.135 -3.921 254 HE1 HIS 34 1HE HIS 34 -19.721 -2.913 -2.452 255 HE2 HIS 34 2HE HIS 34 -19.272 -0.504 -3.036 256 HA PRO 35 HA PRO 35 -12.227 -5.099 -0.925 257 1HB PRO 35 2HB PRO 35 -14.212 -7.032 -2.065 258 2HB PRO 35 1HB PRO 35 -13.458 -7.010 -0.465 259 1HG PRO 35 2HG PRO 35 -15.953 -6.137 -0.807 260 2HG PRO 35 1HG PRO 35 -14.844 -5.327 0.314 261 1HD PRO 35 2HD PRO 35 -15.830 -4.441 -2.336 262 2HD PRO 35 1HD PRO 35 -15.284 -3.475 -0.952 263 H SER 36 H SER 36 -10.509 -4.790 -2.383 264 HA SER 36 HA SER 36 -10.421 -6.743 -4.587 265 1HB SER 36 2HB SER 36 -10.365 -4.003 -4.897 266 2HB SER 36 1HB SER 36 -8.653 -4.423 -4.900 267 HG SER 36 HG SER 36 -9.329 -6.100 -6.485 268 H ASP 37 H ASP 37 -7.755 -6.403 -5.283 269 HA ASP 37 HA ASP 37 -6.330 -7.175 -2.824 270 1HB ASP 37 2HB ASP 37 -6.974 -8.928 -4.798 271 2HB ASP 37 1HB ASP 37 -5.394 -8.381 -5.352 272 H ILE 38 H ILE 38 -5.005 -5.523 -2.414 273 HA ILE 38 HA ILE 38 -3.505 -4.337 -4.649 274 HB ILE 38 HB ILE 38 -2.956 -2.602 -2.714 275 1HG1 ILE 38 2HG1 ILE 38 -4.450 -4.076 -1.162 276 2HG1 ILE 38 1HG1 ILE 38 -4.584 -2.325 -1.075 277 1HG2 ILE 38 1HG2 ILE 38 -3.958 -2.085 -4.874 278 2HG2 ILE 38 2HG2 ILE 38 -4.746 -1.192 -3.574 279 3HG2 ILE 38 3HG2 ILE 38 -5.533 -2.606 -4.276 280 1HD1 ILE 38 1HD1 ILE 38 -6.770 -3.324 -1.015 281 2HD1 ILE 38 2HD1 ILE 38 -6.452 -4.195 -2.514 282 3HD1 ILE 38 3HD1 ILE 38 -6.571 -2.436 -2.525 283 H GLU 39 H GLU 39 -1.489 -5.054 -4.863 284 HA GLU 39 HA GLU 39 0.017 -5.697 -2.408 285 1HB GLU 39 2HB GLU 39 1.115 -7.540 -3.628 286 2HB GLU 39 1HB GLU 39 -0.617 -7.783 -3.459 287 1HG GLU 39 2HG GLU 39 -0.894 -6.913 -5.773 288 2HG GLU 39 1HG GLU 39 0.862 -6.890 -5.919 289 H VAL 40 H VAL 40 1.699 -4.404 -2.180 290 HA VAL 40 HA VAL 40 2.859 -3.086 -4.514 291 HB VAL 40 HB VAL 40 3.505 -2.641 -1.597 292 1HG1 VAL 40 1HG1 VAL 40 4.951 -1.047 -2.228 293 2HG1 VAL 40 2HG1 VAL 40 3.913 -0.485 -3.539 294 3HG1 VAL 40 3HG1 VAL 40 4.953 -1.889 -3.778 295 1HG2 VAL 40 1HG2 VAL 40 1.103 -2.185 -2.308 296 2HG2 VAL 40 2HG2 VAL 40 1.763 -0.886 -3.303 297 3HG2 VAL 40 3HG2 VAL 40 1.979 -0.854 -1.554 298 H ASP 41 H ASP 41 4.645 -3.825 -5.446 299 HA ASP 41 HA ASP 41 6.538 -5.398 -3.829 300 1HB ASP 41 2HB ASP 41 5.859 -5.945 -6.725 301 2HB ASP 41 1HB ASP 41 6.924 -6.893 -5.691 302 H LEU 42 H LEU 42 7.977 -3.726 -3.539 303 HA LEU 42 HA LEU 42 9.099 -2.493 -5.964 304 1HB LEU 42 2HB LEU 42 8.166 -1.242 -3.780 305 2HB LEU 42 1HB LEU 42 9.828 -1.480 -3.274 306 HG LEU 42 HG LEU 42 9.604 -0.388 -5.978 307 1HD1 LEU 42 1HD1 LEU 42 8.974 1.881 -5.190 308 2HD1 LEU 42 2HD1 LEU 42 8.500 1.170 -3.647 309 3HD1 LEU 42 3HD1 LEU 42 7.652 0.714 -5.125 310 1HD2 LEU 42 1HD2 LEU 42 11.533 0.629 -5.407 311 2HD2 LEU 42 2HD2 LEU 42 11.531 -0.553 -4.099 312 3HD2 LEU 42 3HD2 LEU 42 10.946 1.084 -3.808 313 H LEU 43 H LEU 43 10.807 -3.602 -6.682 314 HA LEU 43 HA LEU 43 12.739 -4.617 -4.703 315 1HB LEU 43 2HB LEU 43 11.773 -5.667 -7.310 316 2HB LEU 43 1HB LEU 43 13.449 -5.965 -6.890 317 HG LEU 43 HG LEU 43 11.954 -7.833 -6.275 318 1HD1 LEU 43 1HD1 LEU 43 12.802 -6.802 -3.646 319 2HD1 LEU 43 2HD1 LEU 43 14.046 -6.869 -4.895 320 3HD1 LEU 43 3HD1 LEU 43 13.171 -8.332 -4.443 321 1HD2 LEU 43 1HD2 LEU 43 10.119 -7.625 -4.978 322 2HD2 LEU 43 2HD2 LEU 43 10.154 -5.963 -5.567 323 3HD2 LEU 43 3HD2 LEU 43 10.831 -6.353 -3.986 324 H LYS 44 H LYS 44 12.711 -1.907 -5.612 325 HA LYS 44 HA LYS 44 15.431 -1.569 -6.241 326 1HB LYS 44 2HB LYS 44 13.600 -1.788 -8.511 327 2HB LYS 44 1HB LYS 44 14.530 -0.297 -8.520 328 1HG LYS 44 2HG LYS 44 16.374 -2.298 -7.910 329 2HG LYS 44 1HG LYS 44 15.350 -2.975 -9.175 330 1HD LYS 44 2HD LYS 44 16.516 -1.811 -10.670 331 2HD LYS 44 1HD LYS 44 15.885 -0.329 -9.950 332 1HE LYS 44 2HE LYS 44 17.770 -0.413 -8.314 333 2HE LYS 44 1HE LYS 44 18.428 -1.775 -9.218 334 1HZ LYS 44 1HZ LYS 44 18.422 1.048 -9.870 335 2HZ LYS 44 2HZ LYS 44 18.074 0.017 -11.165 336 3HZ LYS 44 3HZ LYS 44 19.520 -0.164 -10.307 337 1H SER 45 1HT SER 45 17.136 6.379 3.013 338 2H SER 45 2HT SER 45 18.136 5.087 3.538 339 3H SER 45 3HT SER 45 17.441 6.158 4.684 340 HA SER 45 HA SER 45 15.878 4.445 2.879 341 1HB SER 45 2HB SER 45 15.784 2.807 4.573 342 2HB SER 45 1HB SER 45 17.481 3.286 4.547 343 HG SER 45 HG SER 45 16.838 4.808 6.274 344 H ASN 46 H ASN 46 13.665 4.425 3.379 345 HA ASN 46 HA ASN 46 12.538 5.825 5.568 346 1HB ASN 46 2HB ASN 46 13.366 7.748 4.186 347 2HB ASN 46 1HB ASN 46 12.275 7.230 2.905 348 1HD2 ASN 46 1HD2 ASN 46 11.112 9.139 2.974 349 2HD2 ASN 46 2HD2 ASN 46 10.032 9.517 4.268 350 H PHE 47 H PHE 47 10.749 4.716 5.948 351 HA PHE 47 HA PHE 47 9.222 3.674 3.651 352 1HB PHE 47 2HB PHE 47 10.086 1.825 4.899 353 2HB PHE 47 1HB PHE 47 9.602 2.548 6.428 354 HD1 PHE 47 1HD PHE 47 8.058 1.466 3.206 355 HD2 PHE 47 2HD PHE 47 7.726 1.723 7.436 356 HE1 PHE 47 1HE PHE 47 5.921 0.248 3.108 357 HE2 PHE 47 2HE PHE 47 5.593 0.503 7.350 358 HZ PHE 47 HZ PHE 47 4.688 -0.237 5.184 359 H LEU 48 H LEU 48 7.469 4.856 3.303 360 HA LEU 48 HA LEU 48 5.960 5.847 5.630 361 1HB LEU 48 2HB LEU 48 7.135 7.332 3.583 362 2HB LEU 48 1HB LEU 48 5.431 7.288 3.170 363 HG LEU 48 HG LEU 48 5.290 7.931 5.806 364 1HD1 LEU 48 1HD1 LEU 48 7.886 8.983 4.736 365 2HD1 LEU 48 2HD1 LEU 48 7.562 8.188 6.276 366 3HD1 LEU 48 3HD1 LEU 48 6.992 9.832 5.996 367 1HD2 LEU 48 1HD2 LEU 48 5.727 10.142 3.861 368 2HD2 LEU 48 2HD2 LEU 48 4.464 9.937 5.075 369 3HD2 LEU 48 3HD2 LEU 48 4.405 9.010 3.576 370 H ASN 49 H ASN 49 4.497 4.169 5.767 371 HA ASN 49 HA ASN 49 2.820 3.691 3.391 372 1HB ASN 49 2HB ASN 49 3.896 1.662 4.156 373 2HB ASN 49 1HB ASN 49 3.330 1.934 5.801 374 1HD2 ASN 49 1HD2 ASN 49 1.778 0.589 6.311 375 2HD2 ASN 49 2HD2 ASN 49 0.503 0.053 5.275 376 H CYS 50 H CYS 50 1.618 5.626 3.858 377 HA CYS 50 HA CYS 50 -0.131 5.427 6.214 378 1HB CYS 50 2HB CYS 50 -0.521 7.817 5.956 379 2HB CYS 50 1HB CYS 50 1.207 7.490 6.031 380 HG CYS 50 HG CYS 50 0.674 9.206 4.111 381 H TYR 51 H TYR 51 -2.370 5.895 5.997 382 HA TYR 51 HA TYR 51 -3.498 5.973 3.325 383 1HB TYR 51 2HB TYR 51 -5.118 4.071 4.082 384 2HB TYR 51 1HB TYR 51 -3.543 3.658 3.417 385 HD1 TYR 51 1HD TYR 51 -2.736 1.759 4.437 386 HD2 TYR 51 2HD TYR 51 -4.683 4.685 6.833 387 HE1 TYR 51 1HE TYR 51 -2.241 0.433 6.448 388 HE2 TYR 51 2HE TYR 51 -4.190 3.369 8.851 389 HH TYR 51 HH TYR 51 -3.661 1.112 9.493 390 H VAL 52 H VAL 52 -5.837 6.371 3.354 391 HA VAL 52 HA VAL 52 -6.703 7.668 5.855 392 HB VAL 52 HB VAL 52 -7.370 8.669 3.088 393 1HG1 VAL 52 1HG1 VAL 52 -8.689 9.121 5.404 394 2HG1 VAL 52 2HG1 VAL 52 -8.613 10.271 4.068 395 3HG1 VAL 52 3HG1 VAL 52 -7.513 10.434 5.437 396 1HG2 VAL 52 1HG2 VAL 52 -5.223 9.570 5.003 397 2HG2 VAL 52 2HG2 VAL 52 -5.787 10.531 3.636 398 3HG2 VAL 52 3HG2 VAL 52 -5.015 8.970 3.357 399 H SER 53 H SER 53 -8.547 6.942 6.647 400 HA SER 53 HA SER 53 -10.589 5.963 6.841 401 1HB SER 53 2HB SER 53 -10.923 7.606 4.765 402 2HB SER 53 1HB SER 53 -11.136 6.076 3.915 403 HG SER 53 HG SER 53 -13.014 5.864 4.825 404 H GLY 54 H GLY 54 -12.030 4.187 5.438 405 1HA GLY 54 2HA GLY 54 -10.109 2.019 4.849 406 2HA GLY 54 1HA GLY 54 -11.576 1.757 5.781 407 H PHE 55 H PHE 55 -11.229 0.132 3.713 408 HA PHE 55 HA PHE 55 -13.308 1.007 1.856 409 1HB PHE 55 2HB PHE 55 -11.862 -0.121 -0.002 410 2HB PHE 55 1HB PHE 55 -11.524 1.540 0.470 411 HD1 PHE 55 1HD PHE 55 -9.262 1.592 -0.234 412 HD2 PHE 55 2HD PHE 55 -10.580 -1.407 2.484 413 HE1 PHE 55 1HE PHE 55 -6.924 0.989 0.231 414 HE2 PHE 55 2HE PHE 55 -8.245 -2.014 2.956 415 HZ PHE 55 HZ PHE 55 -6.413 -0.812 1.828 416 H HIS 56 H HIS 56 -14.101 -0.630 3.666 417 HA HIS 56 HA HIS 56 -15.007 -2.676 4.106 418 1HB HIS 56 2HB HIS 56 -14.471 -3.667 1.347 419 2HB HIS 56 1HB HIS 56 -15.933 -3.788 2.316 420 HD1 HIS 56 1HD HIS 56 -17.593 -1.797 2.218 421 HD2 HIS 56 2HD HIS 56 -14.291 -1.400 -0.273 422 HE1 HIS 56 1HE HIS 56 -18.151 0.096 0.658 423 HE2 HIS 56 2HE HIS 56 -16.107 0.367 -0.791 424 HA PRO 57 HA PRO 57 -11.809 -5.560 5.039 425 1HB PRO 57 2HB PRO 57 -12.944 -8.010 4.598 426 2HB PRO 57 1HB PRO 57 -13.296 -7.005 6.008 427 1HG PRO 57 2HG PRO 57 -14.857 -7.330 3.475 428 2HG PRO 57 1HG PRO 57 -15.440 -7.250 5.148 429 1HD PRO 57 2HD PRO 57 -15.573 -5.134 3.494 430 2HD PRO 57 1HD PRO 57 -15.267 -4.944 5.232 431 H SER 58 H SER 58 -10.625 -4.774 3.105 432 HA SER 58 HA SER 58 -10.628 -6.627 0.843 433 1HB SER 58 2HB SER 58 -10.595 -3.998 0.711 434 2HB SER 58 1HB SER 58 -8.864 -4.209 0.973 435 HG SER 58 HG SER 58 -8.700 -4.787 -1.030 436 H ASP 59 H ASP 59 -8.038 -6.394 -0.043 437 HA ASP 59 HA ASP 59 -6.420 -7.511 2.147 438 1HB ASP 59 2HB ASP 59 -6.731 -8.594 -0.656 439 2HB ASP 59 1HB ASP 59 -5.457 -9.103 0.448 440 H ILE 60 H ILE 60 -4.455 -6.629 2.345 441 HA ILE 60 HA ILE 60 -3.346 -5.168 0.042 442 HB ILE 60 HB ILE 60 -2.898 -4.229 2.855 443 1HG1 ILE 60 2HG1 ILE 60 -5.077 -3.215 1.019 444 2HG1 ILE 60 1HG1 ILE 60 -5.363 -4.298 2.377 445 1HG2 ILE 60 1HG2 ILE 60 -1.419 -3.057 1.620 446 2HG2 ILE 60 2HG2 ILE 60 -2.826 -2.045 1.295 447 3HG2 ILE 60 3HG2 ILE 60 -2.331 -3.271 0.127 448 1HD1 ILE 60 1HD1 ILE 60 -5.852 -2.255 3.291 449 2HD1 ILE 60 2HD1 ILE 60 -4.595 -1.423 2.376 450 3HD1 ILE 60 3HD1 ILE 60 -4.159 -2.443 3.747 451 H GLU 61 H GLU 61 -1.450 -5.961 -0.556 452 HA GLU 61 HA GLU 61 0.209 -7.326 1.457 453 1HB GLU 61 2HB GLU 61 -0.714 -8.561 -0.645 454 2HB GLU 61 1HB GLU 61 0.554 -7.694 -1.502 455 1HG GLU 61 2HG GLU 61 1.860 -8.764 0.680 456 2HG GLU 61 1HG GLU 61 0.720 -10.024 0.213 457 H VAL 62 H VAL 62 1.013 -5.192 2.070 458 HA VAL 62 HA VAL 62 2.555 -3.681 0.170 459 HB VAL 62 HB VAL 62 2.555 -3.396 3.176 460 1HG1 VAL 62 1HG1 VAL 62 3.399 -1.605 0.913 461 2HG1 VAL 62 2HG1 VAL 62 4.368 -2.190 2.266 462 3HG1 VAL 62 3HG1 VAL 62 3.093 -1.002 2.541 463 1HG2 VAL 62 1HG2 VAL 62 0.664 -2.329 1.100 464 2HG2 VAL 62 2HG2 VAL 62 0.900 -1.519 2.649 465 3HG2 VAL 62 3HG2 VAL 62 0.293 -3.175 2.603 466 H ASP 63 H ASP 63 4.605 -4.005 -0.372 467 HA ASP 63 HA ASP 63 6.486 -5.104 1.547 468 1HB ASP 63 2HB ASP 63 5.340 -6.990 0.150 469 2HB ASP 63 1HB ASP 63 6.383 -6.420 -1.148 470 H LEU 64 H LEU 64 8.252 -3.900 1.450 471 HA LEU 64 HA LEU 64 9.174 -2.936 -1.159 472 1HB LEU 64 2HB LEU 64 9.841 -0.847 0.517 473 2HB LEU 64 1HB LEU 64 8.568 -0.847 -0.685 474 HG LEU 64 HG LEU 64 7.853 0.006 1.528 475 1HD1 LEU 64 1HD1 LEU 64 6.235 -2.425 1.288 476 2HD1 LEU 64 2HD1 LEU 64 6.472 -1.540 -0.220 477 3HD1 LEU 64 3HD1 LEU 64 5.767 -0.728 1.178 478 1HD2 LEU 64 1HD2 LEU 64 7.575 -2.596 2.774 479 2HD2 LEU 64 2HD2 LEU 64 8.192 -1.084 3.437 480 3HD2 LEU 64 3HD2 LEU 64 9.264 -2.149 2.528 481 H LEU 65 H LEU 65 11.360 -2.839 -1.414 482 HA LEU 65 HA LEU 65 12.935 -4.176 0.632 483 1HB LEU 65 2HB LEU 65 12.925 -4.488 -2.015 484 2HB LEU 65 1HB LEU 65 14.147 -3.236 -1.912 485 HG LEU 65 HG LEU 65 14.431 -5.627 -0.157 486 1HD1 LEU 65 1HD1 LEU 65 14.526 -5.640 -3.108 487 2HD1 LEU 65 2HD1 LEU 65 14.202 -6.951 -1.973 488 3HD1 LEU 65 3HD1 LEU 65 15.861 -6.432 -2.272 489 1HD2 LEU 65 1HD2 LEU 65 16.563 -4.231 -1.723 490 2HD2 LEU 65 2HD2 LEU 65 16.685 -5.096 -0.191 491 3HD2 LEU 65 3HD2 LEU 65 15.918 -3.509 -0.248 492 H LYS 66 H LYS 66 13.559 -1.365 -1.476 493 HA LYS 66 HA LYS 66 14.682 0.034 0.853 494 1HB LYS 66 2HB LYS 66 16.010 -0.667 -1.690 495 2HB LYS 66 1HB LYS 66 16.243 0.991 -1.152 496 1HG LYS 66 2HG LYS 66 16.643 -1.153 0.852 497 2HG LYS 66 1HG LYS 66 17.851 -0.992 -0.426 498 1HD LYS 66 2HD LYS 66 18.200 1.337 0.158 499 2HD LYS 66 1HD LYS 66 16.929 1.244 1.380 500 1HE LYS 66 2HE LYS 66 18.828 0.979 2.661 501 2HE LYS 66 1HE LYS 66 18.378 -0.695 2.341 502 1HZ LYS 66 1HZ LYS 66 20.638 0.849 1.320 503 2HZ LYS 66 2HZ LYS 66 19.953 -0.298 0.283 504 3HZ LYS 66 3HZ LYS 66 20.562 -0.776 1.787 505 1H SER 67 1HT SER 67 16.343 4.308 10.209 506 2H SER 67 2HT SER 67 16.457 3.891 8.548 507 3H SER 67 3HT SER 67 17.068 2.825 9.745 508 HA SER 67 HA SER 67 15.033 1.994 8.947 509 1HB SER 67 2HB SER 67 13.729 2.507 11.273 510 2HB SER 67 1HB SER 67 15.075 1.375 11.141 511 HG SER 67 HG SER 67 16.442 2.902 11.946 512 H ASN 68 H ASN 68 14.040 4.835 10.843 513 HA ASN 68 HA ASN 68 12.368 6.349 10.549 514 1HB ASN 68 2HB ASN 68 13.974 6.839 8.582 515 2HB ASN 68 1HB ASN 68 12.749 6.068 7.580 516 1HD2 ASN 68 1HD2 ASN 68 13.704 8.838 7.643 517 2HD2 ASN 68 2HD2 ASN 68 12.301 9.811 7.907 518 H PHE 69 H PHE 69 10.571 5.275 11.245 519 HA PHE 69 HA PHE 69 9.019 3.819 9.207 520 1HB PHE 69 2HB PHE 69 9.626 2.366 11.046 521 2HB PHE 69 1HB PHE 69 9.022 3.532 12.218 522 HD1 PHE 69 1HD PHE 69 7.365 2.553 9.065 523 HD2 PHE 69 2HD PHE 69 7.398 2.228 13.304 524 HE1 PHE 69 1HE PHE 69 5.158 1.469 8.995 525 HE2 PHE 69 2HE PHE 69 5.188 1.150 13.244 526 HZ PHE 69 HZ PHE 69 4.065 0.767 11.086 527 H LEU 70 H LEU 70 7.116 4.621 8.599 528 HA LEU 70 HA LEU 70 5.527 6.255 10.376 529 1HB LEU 70 2HB LEU 70 7.351 7.549 8.744 530 2HB LEU 70 1HB LEU 70 5.853 7.656 7.841 531 HG LEU 70 HG LEU 70 4.759 8.739 9.736 532 1HD1 LEU 70 1HD1 LEU 70 6.349 9.524 11.601 533 2HD1 LEU 70 2HD1 LEU 70 7.381 8.193 11.075 534 3HD1 LEU 70 3HD1 LEU 70 5.745 7.868 11.651 535 1HD2 LEU 70 1HD2 LEU 70 6.187 10.821 9.791 536 2HD2 LEU 70 2HD2 LEU 70 5.739 10.235 8.189 537 3HD2 LEU 70 3HD2 LEU 70 7.360 9.936 8.815 538 H ASN 71 H ASN 71 3.999 4.585 10.092 539 HA ASN 71 HA ASN 71 2.700 4.618 7.453 540 1HB ASN 71 2HB ASN 71 2.315 2.297 7.507 541 2HB ASN 71 1HB ASN 71 3.974 2.475 8.059 542 1HD2 ASN 71 1HD2 ASN 71 2.297 0.247 8.520 543 2HD2 ASN 71 2HD2 ASN 71 2.057 0.110 10.225 544 H CYS 72 H CYS 72 0.552 2.894 8.288 545 HA CYS 72 HA CYS 72 -1.571 3.077 9.078 546 1HB CYS 72 2HB CYS 72 -0.572 2.548 11.209 547 2HB CYS 72 1HB CYS 72 -0.061 4.215 11.439 548 HG CYS 72 HG CYS 72 -2.139 4.253 12.787 549 H TYR 73 H TYR 73 -0.416 5.967 10.725 550 HA TYR 73 HA TYR 73 -0.889 8.159 10.490 551 1HB TYR 73 2HB TYR 73 -0.777 7.104 7.798 552 2HB TYR 73 1HB TYR 73 -1.870 8.480 7.903 553 HD1 TYR 73 1HD TYR 73 1.609 7.380 8.216 554 HD2 TYR 73 2HD TYR 73 -1.089 10.656 8.497 555 HE1 TYR 73 1HE TYR 73 3.512 8.939 8.192 556 HE2 TYR 73 2HE TYR 73 0.805 12.226 8.472 557 HH TYR 73 HH TYR 73 3.738 11.583 9.189 558 H VAL 74 H VAL 74 -3.355 7.499 8.075 559 HA VAL 74 HA VAL 74 -5.354 8.277 10.082 560 HB VAL 74 HB VAL 74 -5.552 8.548 7.080 561 1HG1 VAL 74 1HG1 VAL 74 -7.244 10.019 9.053 562 2HG1 VAL 74 2HG1 VAL 74 -7.648 8.357 8.622 563 3HG1 VAL 74 3HG1 VAL 74 -7.583 9.599 7.373 564 1HG2 VAL 74 1HG2 VAL 74 -3.887 10.006 8.623 565 2HG2 VAL 74 2HG2 VAL 74 -5.366 10.955 8.764 566 3HG2 VAL 74 3HG2 VAL 74 -4.679 10.624 7.174 567 H SER 75 H SER 75 -5.064 5.841 10.533 568 HA SER 75 HA SER 75 -6.096 3.896 8.802 569 1HB SER 75 2HB SER 75 -4.752 3.395 10.822 570 2HB SER 75 1HB SER 75 -6.115 3.879 11.830 571 HG SER 75 HG SER 75 -5.648 1.510 10.722 572 H GLY 76 H GLY 76 -8.041 2.539 10.263 573 1HA GLY 76 2HA GLY 76 -10.265 2.968 11.188 574 2HA GLY 76 1HA GLY 76 -10.334 4.399 10.168 575 H PHE 77 H PHE 77 -9.624 0.934 9.703 576 HA PHE 77 HA PHE 77 -11.637 0.906 7.558 577 1HB PHE 77 2HB PHE 77 -10.067 -0.759 6.399 578 2HB PHE 77 1HB PHE 77 -9.611 0.941 6.354 579 HD1 PHE 77 1HD PHE 77 -7.758 1.770 7.710 580 HD2 PHE 77 2HD PHE 77 -8.766 -2.364 7.608 581 HE1 PHE 77 1HE PHE 77 -5.570 1.216 8.690 582 HE2 PHE 77 2HE PHE 77 -6.580 -2.926 8.589 583 HZ PHE 77 HZ PHE 77 -4.978 -1.134 9.131 584 H HIS 78 H HIS 78 -12.352 -1.303 6.985 585 HA HIS 78 HA HIS 78 -13.003 -2.773 9.364 586 1HB HIS 78 2HB HIS 78 -13.897 -2.677 6.583 587 2HB HIS 78 1HB HIS 78 -13.829 -4.319 7.214 588 HD1 HIS 78 1HD HIS 78 -14.695 -3.513 10.164 589 HD2 HIS 78 2HD HIS 78 -16.651 -2.460 6.652 590 HE1 HIS 78 1HE HIS 78 -17.073 -3.045 10.834 591 HE2 HIS 78 2HE HIS 78 -18.218 -2.330 8.706 592 HA PRO 79 HA PRO 79 -10.117 -6.097 9.474 593 1HB PRO 79 2HB PRO 79 -11.644 -8.336 8.772 594 2HB PRO 79 1HB PRO 79 -11.434 -7.693 10.402 595 1HG PRO 79 2HG PRO 79 -13.675 -7.292 8.477 596 2HG PRO 79 1HG PRO 79 -13.722 -7.450 10.243 597 1HD PRO 79 2HD PRO 79 -14.010 -5.073 9.058 598 2HD PRO 79 1HD PRO 79 -13.110 -5.233 10.579 599 H SER 80 H SER 80 -8.957 -5.323 7.639 600 HA SER 80 HA SER 80 -9.470 -6.812 5.149 601 1HB SER 80 2HB SER 80 -7.701 -4.391 5.240 602 2HB SER 80 1HB SER 80 -8.678 -5.011 3.909 603 HG SER 80 HG SER 80 -9.543 -3.100 4.895 604 H ASP 81 H ASP 81 -8.106 -8.418 4.742 605 HA ASP 81 HA ASP 81 -5.898 -9.093 6.275 606 1HB ASP 81 2HB ASP 81 -6.241 -9.800 3.356 607 2HB ASP 81 1HB ASP 81 -5.363 -10.712 4.581 608 H ILE 82 H ILE 82 -4.421 -7.489 6.627 609 HA ILE 82 HA ILE 82 -3.047 -6.395 4.262 610 HB ILE 82 HB ILE 82 -2.236 -4.604 5.819 611 1HG1 ILE 82 2HG1 ILE 82 -4.322 -5.794 7.660 612 2HG1 ILE 82 1HG1 ILE 82 -2.582 -5.824 7.930 613 1HG2 ILE 82 1HG2 ILE 82 -4.147 -3.284 5.554 614 2HG2 ILE 82 2HG2 ILE 82 -5.233 -4.661 5.742 615 3HG2 ILE 82 3HG2 ILE 82 -4.271 -4.492 4.275 616 1HD1 ILE 82 1HD1 ILE 82 -4.130 -3.270 7.650 617 2HD1 ILE 82 2HD1 ILE 82 -2.499 -3.500 8.283 618 3HD1 ILE 82 3HD1 ILE 82 -3.892 -4.084 9.196 619 H GLU 83 H GLU 83 -1.034 -7.014 3.892 620 HA GLU 83 HA GLU 83 0.486 -8.261 6.084 621 1HB GLU 83 2HB GLU 83 -0.206 -9.591 3.938 622 2HB GLU 83 1HB GLU 83 1.120 -8.713 3.189 623 1HG GLU 83 2HG GLU 83 2.708 -9.680 4.649 624 2HG GLU 83 1HG GLU 83 1.450 -10.334 5.696 625 H VAL 84 H VAL 84 1.863 -6.798 6.877 626 HA VAL 84 HA VAL 84 3.104 -4.853 5.088 627 HB VAL 84 HB VAL 84 3.387 -5.042 8.086 628 1HG1 VAL 84 1HG1 VAL 84 3.571 -2.415 6.894 629 2HG1 VAL 84 2HG1 VAL 84 4.759 -3.521 6.204 630 3HG1 VAL 84 3HG1 VAL 84 4.708 -3.258 7.947 631 1HG2 VAL 84 1HG2 VAL 84 1.404 -4.060 8.393 632 2HG2 VAL 84 2HG2 VAL 84 1.034 -4.544 6.738 633 3HG2 VAL 84 3HG2 VAL 84 1.664 -2.929 7.065 634 H ASP 85 H ASP 85 5.155 -4.942 4.438 635 HA ASP 85 HA ASP 85 7.024 -6.721 5.841 636 1HB ASP 85 2HB ASP 85 6.861 -6.567 2.828 637 2HB ASP 85 1HB ASP 85 7.827 -7.675 3.798 638 H LEU 86 H LEU 86 8.106 -4.997 6.750 639 HA LEU 86 HA LEU 86 9.108 -2.870 5.047 640 1HB LEU 86 2HB LEU 86 9.764 -3.248 7.955 641 2HB LEU 86 1HB LEU 86 9.770 -1.765 7.024 642 HG LEU 86 HG LEU 86 7.866 -1.486 8.276 643 1HD1 LEU 86 1HD1 LEU 86 5.968 -1.702 6.872 644 2HD1 LEU 86 2HD1 LEU 86 6.684 -3.051 5.994 645 3HD1 LEU 86 3HD1 LEU 86 7.352 -1.430 5.814 646 1HD2 LEU 86 1HD2 LEU 86 8.138 -4.072 8.946 647 2HD2 LEU 86 2HD2 LEU 86 6.690 -4.167 7.943 648 3HD2 LEU 86 3HD2 LEU 86 6.720 -3.103 9.349 649 H LEU 87 H LEU 87 10.464 -4.241 3.733 650 HA LEU 87 HA LEU 87 12.476 -5.082 3.091 651 1HB LEU 87 2HB LEU 87 13.367 -2.998 3.918 652 2HB LEU 87 1HB LEU 87 13.371 -3.604 5.563 653 HG LEU 87 HG LEU 87 15.144 -5.161 5.050 654 1HD1 LEU 87 1HD1 LEU 87 14.678 -5.866 2.856 655 2HD1 LEU 87 2HD1 LEU 87 16.218 -5.012 2.756 656 3HD1 LEU 87 3HD1 LEU 87 14.734 -4.220 2.226 657 1HD2 LEU 87 1HD2 LEU 87 16.069 -3.145 5.706 658 2HD2 LEU 87 2HD2 LEU 87 15.530 -2.305 4.253 659 3HD2 LEU 87 3HD2 LEU 87 16.874 -3.445 4.166 660 H LYS 88 H LYS 88 12.646 -7.218 3.161 661 HA LYS 88 HA LYS 88 13.461 -8.487 5.667 662 1HB LYS 88 2HB LYS 88 11.074 -9.276 4.004 663 2HB LYS 88 1HB LYS 88 11.863 -10.400 5.103 664 1HG LYS 88 2HG LYS 88 11.311 -7.927 6.451 665 2HG LYS 88 1HG LYS 88 9.845 -8.555 5.694 666 1HD LYS 88 2HD LYS 88 9.880 -10.504 6.945 667 2HD LYS 88 1HD LYS 88 11.610 -10.384 7.271 668 1HE LYS 88 2HE LYS 88 9.827 -8.251 8.325 669 2HE LYS 88 1HE LYS 88 9.796 -9.825 9.118 670 1HZ LYS 88 1HZ LYS 88 11.461 -8.840 10.277 671 2HZ LYS 88 2HZ LYS 88 11.944 -7.847 8.996 672 3HZ LYS 88 3HZ LYS 88 12.390 -9.480 9.014 Start of MODEL 9 1 1H SER 1 1HT SER 1 16.712 5.304 -3.104 2 2H SER 1 2HT SER 1 17.644 6.295 -4.152 3 3H SER 1 3HT SER 1 17.732 4.585 -4.280 4 HA SER 1 HA SER 1 16.412 5.603 -6.016 5 1HB SER 1 2HB SER 1 14.555 4.028 -4.272 6 2HB SER 1 1HB SER 1 14.897 3.849 -5.992 7 HG SER 1 HG SER 1 15.797 2.191 -4.575 8 H ASN 2 H ASN 2 13.658 5.695 -5.947 9 HA ASN 2 HA ASN 2 12.542 7.408 -4.024 10 1HB ASN 2 2HB ASN 2 12.388 9.472 -5.516 11 2HB ASN 2 1HB ASN 2 13.948 9.165 -4.759 12 1HD2 ASN 2 1HD2 ASN 2 12.511 10.061 -7.542 13 2HD2 ASN 2 2HD2 ASN 2 13.728 9.591 -8.675 14 H PHE 3 H PHE 3 10.892 5.871 -4.343 15 HA PHE 3 HA PHE 3 9.437 6.098 -6.896 16 1HB PHE 3 2HB PHE 3 10.047 3.837 -6.538 17 2HB PHE 3 1HB PHE 3 9.601 3.899 -4.841 18 HD1 PHE 3 1HD PHE 3 7.119 4.161 -4.289 19 HD2 PHE 3 2HD PHE 3 8.558 3.046 -8.131 20 HE1 PHE 3 1HE PHE 3 4.925 3.193 -4.818 21 HE2 PHE 3 2HE PHE 3 6.360 2.081 -8.676 22 HZ PHE 3 HZ PHE 3 4.540 2.153 -7.017 23 H LEU 4 H LEU 4 7.059 6.057 -6.769 24 HA LEU 4 HA LEU 4 5.927 6.952 -4.233 25 1HB LEU 4 2HB LEU 4 6.742 8.932 -5.640 26 2HB LEU 4 1HB LEU 4 5.430 8.542 -6.735 27 HG LEU 4 HG LEU 4 3.861 8.798 -4.760 28 1HD1 LEU 4 1HD1 LEU 4 6.167 10.266 -3.510 29 2HD1 LEU 4 2HD1 LEU 4 5.744 8.608 -3.082 30 3HD1 LEU 4 3HD1 LEU 4 4.588 9.911 -2.813 31 1HD2 LEU 4 1HD2 LEU 4 3.576 11.055 -5.176 32 2HD2 LEU 4 2HD2 LEU 4 4.463 10.519 -6.604 33 3HD2 LEU 4 3HD2 LEU 4 5.309 11.357 -5.303 34 H ASN 5 H ASN 5 3.775 6.510 -3.979 35 HA ASN 5 HA ASN 5 2.109 5.718 -6.185 36 1HB ASN 5 2HB ASN 5 3.316 3.632 -5.878 37 2HB ASN 5 1HB ASN 5 2.978 3.653 -4.150 38 1HD2 ASN 5 1HD2 ASN 5 0.866 3.241 -3.434 39 2HD2 ASN 5 2HD2 ASN 5 -0.280 2.421 -4.434 40 H CYS 6 H CYS 6 0.262 6.696 -5.705 41 HA CYS 6 HA CYS 6 -0.703 6.582 -2.925 42 1HB CYS 6 2HB CYS 6 0.105 8.838 -3.405 43 2HB CYS 6 1HB CYS 6 -0.915 8.917 -4.837 44 HG CYS 6 HG CYS 6 -2.418 8.559 -2.184 45 H TYR 7 H TYR 7 -2.903 6.350 -2.614 46 HA TYR 7 HA TYR 7 -4.497 5.772 -5.025 47 1HB TYR 7 2HB TYR 7 -3.717 3.895 -3.191 48 2HB TYR 7 1HB TYR 7 -5.289 4.371 -2.559 49 HD1 TYR 7 1HD TYR 7 -3.537 2.490 -5.078 50 HD2 TYR 7 2HD TYR 7 -7.308 4.178 -4.059 51 HE1 TYR 7 1HE TYR 7 -4.631 1.021 -6.719 52 HE2 TYR 7 2HE TYR 7 -8.413 2.713 -5.697 53 HH TYR 7 HH TYR 7 -6.656 0.191 -7.398 54 H VAL 8 H VAL 8 -6.484 6.697 -5.132 55 HA VAL 8 HA VAL 8 -7.652 7.856 -2.718 56 HB VAL 8 HB VAL 8 -7.298 9.514 -5.215 57 1HG1 VAL 8 1HG1 VAL 8 -8.267 10.189 -2.439 58 2HG1 VAL 8 2HG1 VAL 8 -9.239 10.123 -3.909 59 3HG1 VAL 8 3HG1 VAL 8 -7.995 11.359 -3.730 60 1HG2 VAL 8 1HG2 VAL 8 -5.129 9.052 -4.117 61 2HG2 VAL 8 2HG2 VAL 8 -5.771 9.733 -2.622 62 3HG2 VAL 8 3HG2 VAL 8 -5.585 10.754 -4.049 63 H SER 9 H SER 9 -9.757 7.442 -2.634 64 HA SER 9 HA SER 9 -11.900 6.973 -3.237 65 1HB SER 9 2HB SER 9 -11.363 8.993 -4.818 66 2HB SER 9 1HB SER 9 -11.352 7.761 -6.081 67 HG SER 9 HG SER 9 -13.491 8.052 -4.250 68 H GLY 10 H GLY 10 -12.921 5.977 -5.700 69 1HA GLY 10 2HA GLY 10 -12.363 3.239 -5.422 70 2HA GLY 10 1HA GLY 10 -13.233 3.970 -6.761 71 H PHE 11 H PHE 11 -12.380 3.077 -8.537 72 HA PHE 11 HA PHE 11 -9.824 3.811 -9.439 73 1HB PHE 11 2HB PHE 11 -8.587 1.774 -9.327 74 2HB PHE 11 1HB PHE 11 -9.186 2.093 -7.707 75 HD1 PHE 11 1HD PHE 11 -12.104 1.124 -8.732 76 HD2 PHE 11 2HD PHE 11 -8.191 -0.547 -8.598 77 HE1 PHE 11 1HE PHE 11 -13.074 -1.132 -8.654 78 HE2 PHE 11 2HE PHE 11 -9.157 -2.808 -8.524 79 HZ PHE 11 HZ PHE 11 -11.602 -3.102 -8.552 80 H HIS 12 H HIS 12 -9.247 1.729 -11.193 81 HA HIS 12 HA HIS 12 -11.693 1.606 -12.826 82 1HB HIS 12 2HB HIS 12 -9.110 2.714 -13.453 83 2HB HIS 12 1HB HIS 12 -9.479 1.393 -14.556 84 HD1 HIS 12 1HD HIS 12 -10.286 2.455 -16.638 85 HD2 HIS 12 2HD HIS 12 -11.908 4.245 -13.257 86 HE1 HIS 12 1HE HIS 12 -11.923 4.160 -17.499 87 HE2 HIS 12 2HE HIS 12 -12.957 5.166 -15.434 88 HA PRO 13 HA PRO 13 -9.313 -2.438 -14.058 89 1HB PRO 13 2HB PRO 13 -7.060 -2.954 -12.532 90 2HB PRO 13 1HB PRO 13 -7.044 -2.273 -14.161 91 1HG PRO 13 2HG PRO 13 -6.842 -0.885 -11.521 92 2HG PRO 13 1HG PRO 13 -5.965 -0.563 -13.029 93 1HD PRO 13 2HD PRO 13 -8.010 0.977 -12.261 94 2HD PRO 13 1HD PRO 13 -7.753 0.580 -13.971 95 H SER 14 H SER 14 -8.363 -4.433 -12.474 96 HA SER 14 HA SER 14 -10.037 -4.371 -10.056 97 1HB SER 14 2HB SER 14 -10.386 -6.918 -10.668 98 2HB SER 14 1HB SER 14 -11.417 -5.674 -11.377 99 HG SER 14 HG SER 14 -9.717 -7.376 -12.593 100 H ASP 15 H ASP 15 -7.772 -6.577 -11.713 101 HA ASP 15 HA ASP 15 -6.511 -7.135 -9.130 102 1HB ASP 15 2HB ASP 15 -7.290 -8.966 -10.772 103 2HB ASP 15 1HB ASP 15 -5.874 -8.526 -11.724 104 H ILE 16 H ILE 16 -5.157 -5.425 -8.760 105 HA ILE 16 HA ILE 16 -3.270 -4.650 -10.858 106 HB ILE 16 HB ILE 16 -3.580 -3.386 -8.139 107 1HG1 ILE 16 2HG1 ILE 16 -4.862 -2.474 -10.720 108 2HG1 ILE 16 1HG1 ILE 16 -5.714 -3.394 -9.484 109 1HG2 ILE 16 1HG2 ILE 16 -2.328 -2.465 -10.719 110 2HG2 ILE 16 2HG2 ILE 16 -1.509 -2.824 -9.200 111 3HG2 ILE 16 3HG2 ILE 16 -2.583 -1.431 -9.314 112 1HD1 ILE 16 1HD1 ILE 16 -4.356 -0.996 -8.497 113 2HD1 ILE 16 2HD1 ILE 16 -5.977 -1.606 -8.169 114 3HD1 ILE 16 3HD1 ILE 16 -5.661 -0.695 -9.645 115 H GLU 17 H GLU 17 -1.041 -4.703 -10.583 116 HA GLU 17 HA GLU 17 0.072 -5.890 -8.177 117 1HB GLU 17 2HB GLU 17 -0.515 -7.841 -9.541 118 2HB GLU 17 1HB GLU 17 0.399 -7.183 -10.891 119 1HG GLU 17 2HG GLU 17 2.258 -7.200 -8.890 120 2HG GLU 17 1HG GLU 17 1.309 -8.642 -8.535 121 H VAL 18 H VAL 18 1.811 -4.744 -7.668 122 HA VAL 18 HA VAL 18 3.255 -3.347 -9.819 123 HB VAL 18 HB VAL 18 3.388 -2.721 -6.871 124 1HG1 VAL 18 1HG1 VAL 18 5.175 -1.601 -7.676 125 2HG1 VAL 18 2HG1 VAL 18 3.948 -0.425 -8.151 126 3HG1 VAL 18 3HG1 VAL 18 4.560 -1.588 -9.328 127 1HG2 VAL 18 1HG2 VAL 18 1.228 -2.108 -7.144 128 2HG2 VAL 18 2HG2 VAL 18 1.368 -2.002 -8.899 129 3HG2 VAL 18 3HG2 VAL 18 1.955 -0.683 -7.887 130 H ASP 19 H ASP 19 5.305 -3.853 -10.257 131 HA ASP 19 HA ASP 19 6.956 -5.164 -8.242 132 1HB ASP 19 2HB ASP 19 5.813 -6.970 -9.553 133 2HB ASP 19 1HB ASP 19 6.605 -6.354 -11.000 134 H LEU 20 H LEU 20 8.210 -3.292 -8.219 135 HA LEU 20 HA LEU 20 9.649 -2.685 -10.715 136 1HB LEU 20 2HB LEU 20 8.235 -0.967 -9.164 137 2HB LEU 20 1HB LEU 20 9.832 -0.788 -8.464 138 HG LEU 20 HG LEU 20 9.695 -0.636 -11.415 139 1HD1 LEU 20 1HD1 LEU 20 7.754 0.635 -11.050 140 2HD1 LEU 20 2HD1 LEU 20 9.057 1.813 -11.197 141 3HD1 LEU 20 3HD1 LEU 20 8.422 1.396 -9.606 142 1HD2 LEU 20 1HD2 LEU 20 11.685 -0.280 -9.757 143 2HD2 LEU 20 2HD2 LEU 20 10.993 1.335 -9.592 144 3HD2 LEU 20 3HD2 LEU 20 11.509 0.754 -11.175 145 H LEU 21 H LEU 21 11.756 -3.105 -10.825 146 HA LEU 21 HA LEU 21 13.293 -3.354 -8.338 147 1HB LEU 21 2HB LEU 21 12.686 -5.453 -10.264 148 2HB LEU 21 1HB LEU 21 14.411 -5.252 -10.023 149 HG LEU 21 HG LEU 21 13.801 -5.360 -7.484 150 1HD1 LEU 21 1HD1 LEU 21 11.878 -6.880 -7.087 151 2HD1 LEU 21 2HD1 LEU 21 11.414 -6.666 -8.775 152 3HD1 LEU 21 3HD1 LEU 21 11.414 -5.285 -7.679 153 1HD2 LEU 21 1HD2 LEU 21 13.783 -7.754 -9.316 154 2HD2 LEU 21 2HD2 LEU 21 14.004 -7.827 -7.568 155 3HD2 LEU 21 3HD2 LEU 21 15.191 -6.994 -8.573 156 H LYS 22 H LYS 22 15.740 -3.967 -9.312 157 HA LYS 22 HA LYS 22 17.606 -3.049 -10.231 158 1HB LYS 22 2HB LYS 22 15.557 -2.558 -12.361 159 2HB LYS 22 1HB LYS 22 17.170 -1.879 -12.532 160 1HG LYS 22 2HG LYS 22 17.091 -3.957 -13.702 161 2HG LYS 22 1HG LYS 22 18.103 -4.163 -12.271 162 1HD LYS 22 2HD LYS 22 16.653 -6.080 -12.514 163 2HD LYS 22 1HD LYS 22 16.170 -5.155 -11.090 164 1HE LYS 22 2HE LYS 22 14.241 -5.899 -12.425 165 2HE LYS 22 1HE LYS 22 14.350 -4.143 -12.321 166 1HZ LYS 22 1HZ LYS 22 15.337 -5.742 -14.621 167 2HZ LYS 22 2HZ LYS 22 15.244 -4.056 -14.522 168 3HZ LYS 22 3HZ LYS 22 13.827 -4.977 -14.571 169 1H SER 23 1HT SER 23 13.552 -0.826 2.469 170 2H SER 23 2HT SER 23 14.679 0.460 2.328 171 3H SER 23 3HT SER 23 14.224 -0.441 0.940 172 HA SER 23 HA SER 23 12.119 0.438 0.901 173 1HB SER 23 2HB SER 23 12.758 1.523 3.657 174 2HB SER 23 1HB SER 23 11.270 1.842 2.767 175 HG SER 23 HG SER 23 12.085 -0.437 4.105 176 H ASN 24 H ASN 24 11.645 2.430 -0.036 177 HA ASN 24 HA ASN 24 13.087 4.803 0.368 178 1HB ASN 24 2HB ASN 24 14.678 3.040 -0.938 179 2HB ASN 24 1HB ASN 24 13.876 3.808 -2.305 180 1HD2 ASN 24 1HD2 ASN 24 13.763 6.282 -2.051 181 2HD2 ASN 24 2HD2 ASN 24 15.242 7.044 -1.585 182 H PHE 25 H PHE 25 10.482 4.563 0.254 183 HA PHE 25 HA PHE 25 9.739 6.230 -1.899 184 1HB PHE 25 2HB PHE 25 8.658 4.870 -3.371 185 2HB PHE 25 1HB PHE 25 9.864 3.734 -2.803 186 HD1 PHE 25 1HD PHE 25 6.385 4.844 -2.018 187 HD2 PHE 25 2HD PHE 25 9.179 1.641 -2.184 188 HE1 PHE 25 1HE PHE 25 4.599 3.266 -1.434 189 HE2 PHE 25 2HE PHE 25 7.392 0.056 -1.600 190 HZ PHE 25 HZ PHE 25 5.102 0.864 -1.218 191 H LEU 26 H LEU 26 7.480 6.866 -1.851 192 HA LEU 26 HA LEU 26 6.391 6.593 0.868 193 1HB LEU 26 2HB LEU 26 5.611 8.727 -1.094 194 2HB LEU 26 1HB LEU 26 5.438 8.734 0.650 195 HG LEU 26 HG LEU 26 7.173 10.251 0.200 196 1HD1 LEU 26 1HD1 LEU 26 8.457 9.442 1.811 197 2HD1 LEU 26 2HD1 LEU 26 9.189 8.297 0.688 198 3HD1 LEU 26 3HD1 LEU 26 7.733 7.851 1.577 199 1HD2 LEU 26 1HD2 LEU 26 8.848 8.366 -1.356 200 2HD2 LEU 26 2HD2 LEU 26 8.710 10.120 -1.467 201 3HD2 LEU 26 3HD2 LEU 26 7.463 9.091 -2.170 202 H ASN 27 H ASN 27 4.665 5.371 1.108 203 HA ASN 27 HA ASN 27 2.968 4.768 -1.202 204 1HB ASN 27 2HB ASN 27 3.973 2.957 0.334 205 2HB ASN 27 1HB ASN 27 2.778 3.478 1.516 206 1HD2 ASN 27 1HD2 ASN 27 3.345 1.760 -1.402 207 2HD2 ASN 27 2HD2 ASN 27 1.741 1.156 -1.616 208 H CYS 28 H CYS 28 0.635 4.835 -0.975 209 HA CYS 28 HA CYS 28 -0.571 6.118 1.281 210 1HB CYS 28 2HB CYS 28 0.489 8.055 0.119 211 2HB CYS 28 1HB CYS 28 -0.491 7.694 -1.298 212 HG CYS 28 HG CYS 28 -2.574 8.123 0.488 213 H TYR 29 H TYR 29 -2.874 6.209 1.149 214 HA TYR 29 HA TYR 29 -4.365 5.514 -1.120 215 1HB TYR 29 2HB TYR 29 -4.100 3.296 -1.249 216 2HB TYR 29 1HB TYR 29 -3.113 3.289 0.205 217 HD1 TYR 29 1HD TYR 29 -3.943 2.397 2.219 218 HD2 TYR 29 2HD TYR 29 -6.617 3.115 -1.011 219 HE1 TYR 29 1HE TYR 29 -5.708 1.180 3.417 220 HE2 TYR 29 2HE TYR 29 -8.391 1.897 0.180 221 HH TYR 29 HH TYR 29 -7.825 -0.086 2.795 222 H VAL 30 H VAL 30 -6.344 6.270 -0.762 223 HA VAL 30 HA VAL 30 -7.400 6.211 1.987 224 HB VAL 30 HB VAL 30 -8.482 8.400 1.563 225 1HG1 VAL 30 1HG1 VAL 30 -5.611 8.959 1.123 226 2HG1 VAL 30 2HG1 VAL 30 -6.024 7.936 2.498 227 3HG1 VAL 30 3HG1 VAL 30 -6.707 9.557 2.368 228 1HG2 VAL 30 1HG2 VAL 30 -6.834 8.308 -0.956 229 2HG2 VAL 30 2HG2 VAL 30 -7.537 9.787 -0.304 230 3HG2 VAL 30 3HG2 VAL 30 -8.585 8.463 -0.815 231 H SER 31 H SER 31 -9.361 5.360 2.181 232 HA SER 31 HA SER 31 -11.470 4.636 1.705 233 1HB SER 31 2HB SER 31 -11.169 6.846 -0.000 234 2HB SER 31 1HB SER 31 -11.794 5.552 -1.022 235 HG SER 31 HG SER 31 -13.011 6.934 1.017 236 H GLY 32 H GLY 32 -12.413 2.837 0.718 237 1HA GLY 32 2HA GLY 32 -10.558 1.025 -0.500 238 2HA GLY 32 1HA GLY 32 -12.253 0.709 -0.164 239 H PHE 33 H PHE 33 -12.636 -0.283 -2.148 240 HA PHE 33 HA PHE 33 -13.505 1.365 -4.231 241 1HB PHE 33 2HB PHE 33 -11.833 0.780 -5.980 242 2HB PHE 33 1HB PHE 33 -11.191 1.818 -4.716 243 HD1 PHE 33 1HD PHE 33 -9.103 0.882 -6.043 244 HD2 PHE 33 2HD PHE 33 -11.481 -1.398 -3.345 245 HE1 PHE 33 1HE PHE 33 -7.233 -0.678 -5.712 246 HE2 PHE 33 2HE PHE 33 -9.615 -2.958 -3.012 247 HZ PHE 33 HZ PHE 33 -7.486 -2.600 -4.196 248 H HIS 34 H HIS 34 -14.444 -0.897 -2.793 249 HA HIS 34 HA HIS 34 -15.585 -2.838 -3.132 250 1HB HIS 34 2HB HIS 34 -15.717 -1.379 -5.602 251 2HB HIS 34 1HB HIS 34 -15.624 -3.099 -5.956 252 HD1 HIS 34 1HD HIS 34 -17.304 -3.506 -3.051 253 HD2 HIS 34 2HD HIS 34 -18.418 -1.595 -6.569 254 HE1 HIS 34 1HE HIS 34 -19.815 -3.475 -3.031 255 HE2 HIS 34 2HE HIS 34 -20.468 -2.390 -5.209 256 HA PRO 35 HA PRO 35 -13.211 -6.501 -3.871 257 1HB PRO 35 2HB PRO 35 -14.521 -6.879 -6.539 258 2HB PRO 35 1HB PRO 35 -14.206 -8.065 -5.265 259 1HG PRO 35 2HG PRO 35 -16.637 -7.027 -5.575 260 2HG PRO 35 1HG PRO 35 -15.975 -7.328 -3.958 261 1HD PRO 35 2HD PRO 35 -16.381 -4.762 -5.387 262 2HD PRO 35 1HD PRO 35 -16.374 -5.097 -3.646 263 H SER 36 H SER 36 -11.121 -6.456 -4.357 264 HA SER 36 HA SER 36 -10.049 -6.313 -6.926 265 1HB SER 36 2HB SER 36 -10.539 -4.036 -7.159 266 2HB SER 36 1HB SER 36 -10.200 -3.690 -5.465 267 HG SER 36 HG SER 36 -8.221 -4.516 -7.318 268 H ASP 37 H ASP 37 -7.809 -6.645 -6.944 269 HA ASP 37 HA ASP 37 -6.596 -6.996 -4.280 270 1HB ASP 37 2HB ASP 37 -6.662 -8.782 -6.660 271 2HB ASP 37 1HB ASP 37 -5.180 -8.754 -5.711 272 H ILE 38 H ILE 38 -4.630 -6.145 -3.924 273 HA ILE 38 HA ILE 38 -3.089 -5.133 -6.208 274 HB ILE 38 HB ILE 38 -3.553 -3.526 -3.694 275 1HG1 ILE 38 2HG1 ILE 38 -4.716 -3.168 -6.466 276 2HG1 ILE 38 1HG1 ILE 38 -5.607 -3.636 -5.022 277 1HG2 ILE 38 1HG2 ILE 38 -1.652 -2.558 -4.365 278 2HG2 ILE 38 2HG2 ILE 38 -2.630 -1.832 -5.639 279 3HG2 ILE 38 3HG2 ILE 38 -1.723 -3.309 -5.958 280 1HD1 ILE 38 1HD1 ILE 38 -5.314 -1.088 -5.991 281 2HD1 ILE 38 2HD1 ILE 38 -4.138 -1.156 -4.678 282 3HD1 ILE 38 3HD1 ILE 38 -5.833 -1.526 -4.363 283 H GLU 39 H GLU 39 -1.231 -6.203 -6.122 284 HA GLU 39 HA GLU 39 -0.038 -6.765 -3.494 285 1HB GLU 39 2HB GLU 39 -0.582 -8.578 -5.348 286 2HB GLU 39 1HB GLU 39 0.961 -8.046 -5.999 287 1HG GLU 39 2HG GLU 39 2.049 -9.294 -4.539 288 2HG GLU 39 1HG GLU 39 1.245 -8.483 -3.196 289 H VAL 40 H VAL 40 0.829 -4.627 -3.314 290 HA VAL 40 HA VAL 40 2.633 -3.593 -5.272 291 HB VAL 40 HB VAL 40 2.369 -2.767 -2.377 292 1HG1 VAL 40 1HG1 VAL 40 3.101 -0.770 -4.388 293 2HG1 VAL 40 2HG1 VAL 40 4.299 -2.048 -4.178 294 3HG1 VAL 40 3HG1 VAL 40 3.788 -1.082 -2.794 295 1HG2 VAL 40 1HG2 VAL 40 0.393 -2.662 -4.290 296 2HG2 VAL 40 2HG2 VAL 40 1.122 -1.060 -4.384 297 3HG2 VAL 40 3HG2 VAL 40 0.489 -1.652 -2.848 298 H ASP 41 H ASP 41 4.638 -4.214 -5.620 299 HA ASP 41 HA ASP 41 6.267 -5.144 -3.367 300 1HB ASP 41 2HB ASP 41 6.272 -6.510 -6.062 301 2HB ASP 41 1HB ASP 41 7.118 -7.017 -4.603 302 H LEU 42 H LEU 42 7.848 -3.692 -3.231 303 HA LEU 42 HA LEU 42 9.264 -2.967 -5.698 304 1HB LEU 42 2HB LEU 42 8.529 -1.054 -3.483 305 2HB LEU 42 1HB LEU 42 9.499 -0.664 -4.892 306 HG LEU 42 HG LEU 42 6.584 -1.451 -4.903 307 1HD1 LEU 42 1HD1 LEU 42 7.605 1.148 -5.909 308 2HD1 LEU 42 2HD1 LEU 42 7.470 0.922 -4.166 309 3HD1 LEU 42 3HD1 LEU 42 6.047 0.744 -5.192 310 1HD2 LEU 42 1HD2 LEU 42 6.971 -2.119 -6.993 311 2HD2 LEU 42 2HD2 LEU 42 8.602 -1.449 -6.995 312 3HD2 LEU 42 3HD2 LEU 42 7.223 -0.416 -7.378 313 H LEU 43 H LEU 43 11.454 -2.722 -5.544 314 HA LEU 43 HA LEU 43 13.564 -2.881 -4.700 315 1HB LEU 43 2HB LEU 43 12.451 -2.819 -1.910 316 2HB LEU 43 1HB LEU 43 14.025 -2.291 -2.470 317 HG LEU 43 HG LEU 43 11.588 -0.874 -3.459 318 1HD1 LEU 43 1HD1 LEU 43 12.711 -0.776 -0.701 319 2HD1 LEU 43 2HD1 LEU 43 11.036 -0.672 -1.241 320 3HD1 LEU 43 3HD1 LEU 43 12.115 0.708 -1.444 321 1HD2 LEU 43 1HD2 LEU 43 14.497 -0.322 -3.135 322 2HD2 LEU 43 2HD2 LEU 43 13.361 1.026 -3.116 323 3HD2 LEU 43 3HD2 LEU 43 13.443 -0.039 -4.520 324 H LYS 44 H LYS 44 14.863 -4.608 -4.352 325 HA LYS 44 HA LYS 44 14.077 -6.826 -2.713 326 1HB LYS 44 2HB LYS 44 13.932 -7.017 -5.709 327 2HB LYS 44 1HB LYS 44 14.280 -8.436 -4.730 328 1HG LYS 44 2HG LYS 44 12.111 -7.591 -3.444 329 2HG LYS 44 1HG LYS 44 11.767 -6.903 -5.033 330 1HD LYS 44 2HD LYS 44 11.544 -8.950 -6.022 331 2HD LYS 44 1HD LYS 44 12.676 -9.729 -4.914 332 1HE LYS 44 2HE LYS 44 11.064 -10.251 -3.431 333 2HE LYS 44 1HE LYS 44 10.214 -8.724 -3.667 334 1HZ LYS 44 1HZ LYS 44 8.900 -10.610 -4.422 335 2HZ LYS 44 2HZ LYS 44 10.117 -11.050 -5.512 336 3HZ LYS 44 3HZ LYS 44 9.286 -9.591 -5.717 337 1H SER 45 1HT SER 45 17.114 5.789 4.299 338 2H SER 45 2HT SER 45 17.977 4.374 3.851 339 3H SER 45 3HT SER 45 17.204 4.464 5.382 340 HA SER 45 HA SER 45 15.997 4.259 2.716 341 1HB SER 45 2HB SER 45 14.789 2.429 4.257 342 2HB SER 45 1HB SER 45 16.321 2.106 3.446 343 HG SER 45 HG SER 45 16.537 1.538 5.591 344 H ASN 46 H ASN 46 14.537 5.857 2.491 345 HA ASN 46 HA ASN 46 12.930 6.685 4.783 346 1HB ASN 46 2HB ASN 46 12.129 8.484 3.279 347 2HB ASN 46 1HB ASN 46 13.882 8.467 3.437 348 1HD2 ASN 46 1HD2 ASN 46 15.138 8.010 1.683 349 2HD2 ASN 46 2HD2 ASN 46 14.510 7.853 0.081 350 H PHE 47 H PHE 47 10.942 5.965 5.125 351 HA PHE 47 HA PHE 47 9.405 4.905 2.856 352 1HB PHE 47 2HB PHE 47 10.161 2.932 3.932 353 2HB PHE 47 1HB PHE 47 9.873 3.602 5.534 354 HD1 PHE 47 1HD PHE 47 7.903 3.121 6.651 355 HD2 PHE 47 2HD PHE 47 8.091 2.568 2.437 356 HE1 PHE 47 1HE PHE 47 5.676 2.075 6.694 357 HE2 PHE 47 2HE PHE 47 5.866 1.521 2.471 358 HZ PHE 47 HZ PHE 47 4.656 1.273 4.601 359 H LEU 48 H LEU 48 7.315 5.498 2.781 360 HA LEU 48 HA LEU 48 6.172 6.816 5.152 361 1HB LEU 48 2HB LEU 48 6.995 8.413 3.345 362 2HB LEU 48 1HB LEU 48 5.706 7.782 2.340 363 HG LEU 48 HG LEU 48 4.040 8.568 3.952 364 1HD1 LEU 48 1HD1 LEU 48 4.840 8.623 6.065 365 2HD1 LEU 48 2HD1 LEU 48 5.171 10.303 5.643 366 3HD1 LEU 48 3HD1 LEU 48 6.460 9.102 5.558 367 1HD2 LEU 48 1HD2 LEU 48 4.982 10.024 2.097 368 2HD2 LEU 48 2HD2 LEU 48 5.922 10.830 3.352 369 3HD2 LEU 48 3HD2 LEU 48 4.161 10.856 3.418 370 H ASN 49 H ASN 49 4.224 6.089 5.707 371 HA ASN 49 HA ASN 49 2.599 4.705 3.680 372 1HB ASN 49 2HB ASN 49 3.913 3.308 5.565 373 2HB ASN 49 1HB ASN 49 2.459 3.710 6.475 374 1HD2 ASN 49 1HD2 ASN 49 0.896 2.288 6.343 375 2HD2 ASN 49 2HD2 ASN 49 0.611 1.199 5.031 376 H CYS 50 H CYS 50 1.150 6.374 3.424 377 HA CYS 50 HA CYS 50 -0.338 7.169 5.838 378 1HB CYS 50 2HB CYS 50 -0.920 9.242 4.446 379 2HB CYS 50 1HB CYS 50 0.716 9.125 5.084 380 HG CYS 50 HG CYS 50 1.621 8.772 2.756 381 H TYR 51 H TYR 51 -2.112 5.944 5.867 382 HA TYR 51 HA TYR 51 -3.905 6.112 3.556 383 1HB TYR 51 2HB TYR 51 -4.513 3.790 3.690 384 2HB TYR 51 1HB TYR 51 -2.760 3.880 3.553 385 HD1 TYR 51 1HD TYR 51 -5.338 2.248 5.189 386 HD2 TYR 51 2HD TYR 51 -1.571 4.056 5.968 387 HE1 TYR 51 1HE TYR 51 -5.111 0.882 7.222 388 HE2 TYR 51 2HE TYR 51 -1.329 2.695 7.997 389 HH TYR 51 HH TYR 51 -2.183 1.011 9.211 390 H VAL 52 H VAL 52 -6.161 5.905 4.101 391 HA VAL 52 HA VAL 52 -7.067 5.587 6.762 392 HB VAL 52 HB VAL 52 -6.093 7.595 7.417 393 1HG1 VAL 52 1HG1 VAL 52 -6.528 9.696 5.860 394 2HG1 VAL 52 2HG1 VAL 52 -6.600 8.441 4.624 395 3HG1 VAL 52 3HG1 VAL 52 -5.155 8.615 5.622 396 1HG2 VAL 52 1HG2 VAL 52 -8.475 7.628 7.985 397 2HG2 VAL 52 2HG2 VAL 52 -8.831 8.441 6.463 398 3HG2 VAL 52 3HG2 VAL 52 -7.866 9.255 7.693 399 H SER 53 H SER 53 -9.337 6.170 7.054 400 HA SER 53 HA SER 53 -11.442 6.877 6.261 401 1HB SER 53 2HB SER 53 -10.334 7.696 4.107 402 2HB SER 53 1HB SER 53 -10.661 6.087 3.462 403 HG SER 53 HG SER 53 -12.338 7.591 2.996 404 H GLY 54 H GLY 54 -11.889 5.028 7.571 405 1HA GLY 54 2HA GLY 54 -13.005 3.063 7.945 406 2HA GLY 54 1HA GLY 54 -13.484 3.125 6.260 407 H PHE 55 H PHE 55 -11.521 2.549 4.741 408 HA PHE 55 HA PHE 55 -9.934 1.051 4.056 409 1HB PHE 55 2HB PHE 55 -8.974 1.382 6.430 410 2HB PHE 55 1HB PHE 55 -9.790 -0.127 6.824 411 HD1 PHE 55 1HD PHE 55 -6.730 1.117 6.128 412 HD2 PHE 55 2HD PHE 55 -9.347 -1.935 4.732 413 HE1 PHE 55 1HE PHE 55 -4.802 -0.139 5.254 414 HE2 PHE 55 2HE PHE 55 -7.427 -3.190 3.857 415 HZ PHE 55 HZ PHE 55 -5.150 -2.292 4.119 416 H HIS 56 H HIS 56 -11.816 0.235 2.934 417 HA HIS 56 HA HIS 56 -12.394 -2.513 3.747 418 1HB HIS 56 2HB HIS 56 -14.809 -2.091 2.948 419 2HB HIS 56 1HB HIS 56 -14.354 -1.512 4.546 420 HD1 HIS 56 1HD HIS 56 -16.207 0.295 4.488 421 HD2 HIS 56 2HD HIS 56 -13.376 0.657 1.468 422 HE1 HIS 56 1HE HIS 56 -16.570 2.578 3.497 423 HE2 HIS 56 2HE HIS 56 -14.780 2.811 1.738 424 HA PRO 57 HA PRO 57 -11.732 -1.614 -0.914 425 1HB PRO 57 2HB PRO 57 -9.125 -2.390 -1.162 426 2HB PRO 57 1HB PRO 57 -9.631 -0.717 -0.914 427 1HG PRO 57 2HG PRO 57 -8.533 -2.676 1.045 428 2HG PRO 57 1HG PRO 57 -8.262 -0.931 0.927 429 1HD PRO 57 2HD PRO 57 -9.952 -2.085 2.737 430 2HD PRO 57 1HD PRO 57 -10.141 -0.433 2.120 431 H SER 58 H SER 58 -9.425 -4.057 0.214 432 HA SER 58 HA SER 58 -10.996 -6.321 0.131 433 1HB SER 58 2HB SER 58 -10.321 -5.289 -2.538 434 2HB SER 58 1HB SER 58 -9.907 -6.987 -2.298 435 HG SER 58 HG SER 58 -12.443 -5.771 -1.929 436 H ASP 59 H ASP 59 -8.054 -5.905 -1.809 437 HA ASP 59 HA ASP 59 -6.508 -7.181 0.336 438 1HB ASP 59 2HB ASP 59 -7.152 -8.920 -1.300 439 2HB ASP 59 1HB ASP 59 -6.386 -7.983 -2.579 440 H ILE 60 H ILE 60 -4.520 -6.346 0.655 441 HA ILE 60 HA ILE 60 -3.204 -4.807 -1.425 442 HB ILE 60 HB ILE 60 -3.677 -3.453 1.221 443 1HG1 ILE 60 2HG1 ILE 60 -5.246 -3.090 -1.343 444 2HG1 ILE 60 1HG1 ILE 60 -5.863 -3.784 0.152 445 1HG2 ILE 60 1HG2 ILE 60 -2.909 -1.484 0.085 446 2HG2 ILE 60 2HG2 ILE 60 -2.875 -2.335 -1.460 447 3HG2 ILE 60 3HG2 ILE 60 -1.742 -2.778 -0.183 448 1HD1 ILE 60 1HD1 ILE 60 -6.194 -1.222 -0.558 449 2HD1 ILE 60 2HD1 ILE 60 -4.705 -1.090 0.377 450 3HD1 ILE 60 3HD1 ILE 60 -6.153 -1.776 1.116 451 H GLU 61 H GLU 61 -1.313 -5.850 -1.411 452 HA GLU 61 HA GLU 61 -0.029 -6.408 1.176 453 1HB GLU 61 2HB GLU 61 -0.394 -8.372 -0.251 454 2HB GLU 61 1HB GLU 61 0.508 -7.604 -1.550 455 1HG GLU 61 2HG GLU 61 2.530 -7.937 -0.537 456 2HG GLU 61 1HG GLU 61 1.836 -7.969 1.084 457 H VAL 62 H VAL 62 1.176 -4.671 1.697 458 HA VAL 62 HA VAL 62 2.725 -3.302 -0.359 459 HB VAL 62 HB VAL 62 2.562 -2.666 2.590 460 1HG1 VAL 62 1HG1 VAL 62 4.387 -1.781 0.794 461 2HG1 VAL 62 2HG1 VAL 62 3.850 -0.862 2.198 462 3HG1 VAL 62 3HG1 VAL 62 3.128 -0.560 0.619 463 1HG2 VAL 62 1HG2 VAL 62 0.926 -1.632 0.279 464 2HG2 VAL 62 2HG2 VAL 62 0.981 -0.874 1.871 465 3HG2 VAL 62 3HG2 VAL 62 0.347 -2.511 1.693 466 H ASP 63 H ASP 63 4.783 -3.750 -0.758 467 HA ASP 63 HA ASP 63 6.385 -5.028 1.354 468 1HB ASP 63 2HB ASP 63 6.039 -5.828 -1.513 469 2HB ASP 63 1HB ASP 63 7.564 -6.159 -0.696 470 H LEU 64 H LEU 64 8.272 -4.086 1.767 471 HA LEU 64 HA LEU 64 9.536 -2.411 -0.276 472 1HB LEU 64 2HB LEU 64 8.397 -1.515 2.288 473 2HB LEU 64 1HB LEU 64 10.024 -0.947 1.970 474 HG LEU 64 HG LEU 64 8.663 -0.475 -0.409 475 1HD1 LEU 64 1HD1 LEU 64 6.847 -0.283 1.918 476 2HD1 LEU 64 2HD1 LEU 64 6.487 -0.580 0.217 477 3HD1 LEU 64 3HD1 LEU 64 6.820 1.060 0.775 478 1HD2 LEU 64 1HD2 LEU 64 10.178 1.128 0.186 479 2HD2 LEU 64 2HD2 LEU 64 9.655 1.157 1.869 480 3HD2 LEU 64 3HD2 LEU 64 8.680 1.945 0.629 481 H LEU 65 H LEU 65 11.273 -3.742 -0.551 482 HA LEU 65 HA LEU 65 12.717 -4.664 1.817 483 1HB LEU 65 2HB LEU 65 12.891 -5.355 -1.102 484 2HB LEU 65 1HB LEU 65 14.123 -5.865 0.036 485 HG LEU 65 HG LEU 65 11.313 -6.509 0.736 486 1HD1 LEU 65 1HD1 LEU 65 11.494 -8.594 -0.664 487 2HD1 LEU 65 2HD1 LEU 65 12.807 -7.800 -1.531 488 3HD1 LEU 65 3HD1 LEU 65 11.188 -7.101 -1.551 489 1HD2 LEU 65 1HD2 LEU 65 13.038 -7.169 2.248 490 2HD2 LEU 65 2HD2 LEU 65 13.970 -7.910 0.947 491 3HD2 LEU 65 3HD2 LEU 65 12.436 -8.621 1.450 492 H LYS 66 H LYS 66 14.377 -3.963 -1.196 493 HA LYS 66 HA LYS 66 15.381 -1.434 -0.681 494 1HB LYS 66 2HB LYS 66 16.427 -3.316 1.143 495 2HB LYS 66 1HB LYS 66 17.718 -2.974 0.001 496 1HG LYS 66 2HG LYS 66 16.780 -0.472 0.549 497 2HG LYS 66 1HG LYS 66 16.560 -1.296 2.093 498 1HD LYS 66 2HD LYS 66 18.714 -0.614 2.370 499 2HD LYS 66 1HD LYS 66 19.023 -2.142 1.543 500 1HE LYS 66 2HE LYS 66 19.811 -1.124 -0.296 501 2HE LYS 66 1HE LYS 66 18.566 0.124 -0.255 502 1HZ LYS 66 1HZ LYS 66 20.626 0.259 1.801 503 2HZ LYS 66 2HZ LYS 66 19.864 1.506 0.949 504 3HZ LYS 66 3HZ LYS 66 21.112 0.625 0.223 505 1H SER 67 1HT SER 67 17.620 6.405 7.694 506 2H SER 67 2HT SER 67 16.604 7.757 7.982 507 3H SER 67 3HT SER 67 16.316 6.735 6.634 508 HA SER 67 HA SER 67 15.576 5.014 7.921 509 1HB SER 67 2HB SER 67 17.331 5.000 9.572 510 2HB SER 67 1HB SER 67 16.803 6.552 10.221 511 HG SER 67 HG SER 67 16.122 4.610 11.402 512 H ASN 68 H ASN 68 14.544 7.604 6.975 513 HA ASN 68 HA ASN 68 12.729 8.628 8.918 514 1HB ASN 68 2HB ASN 68 13.278 9.073 6.045 515 2HB ASN 68 1HB ASN 68 11.635 9.425 6.569 516 1HD2 ASN 68 1HD2 ASN 68 11.732 10.568 8.870 517 2HD2 ASN 68 2HD2 ASN 68 12.745 11.968 8.894 518 H PHE 69 H PHE 69 11.239 7.308 9.754 519 HA PHE 69 HA PHE 69 9.588 5.735 7.886 520 1HB PHE 69 2HB PHE 69 10.880 4.259 9.319 521 2HB PHE 69 1HB PHE 69 10.329 5.118 10.753 522 HD1 PHE 69 1HD PHE 69 8.041 4.860 11.555 523 HD2 PHE 69 2HD PHE 69 9.477 2.669 8.202 524 HE1 PHE 69 1HE PHE 69 6.123 3.329 11.739 525 HE2 PHE 69 2HE PHE 69 7.561 1.135 8.379 526 HZ PHE 69 HZ PHE 69 5.881 1.464 10.149 527 H LEU 70 H LEU 70 7.525 6.307 7.762 528 HA LEU 70 HA LEU 70 6.185 7.440 10.093 529 1HB LEU 70 2HB LEU 70 6.881 8.908 7.657 530 2HB LEU 70 1HB LEU 70 5.182 9.013 8.073 531 HG LEU 70 HG LEU 70 7.432 9.708 9.961 532 1HD1 LEU 70 1HD1 LEU 70 7.098 11.156 7.848 533 2HD1 LEU 70 2HD1 LEU 70 7.182 11.947 9.422 534 3HD1 LEU 70 3HD1 LEU 70 5.620 11.691 8.646 535 1HD2 LEU 70 1HD2 LEU 70 4.459 10.189 10.121 536 2HD2 LEU 70 2HD2 LEU 70 5.661 10.737 11.289 537 3HD2 LEU 70 3HD2 LEU 70 5.369 9.011 11.067 538 H ASN 71 H ASN 71 4.866 5.666 10.271 539 HA ASN 71 HA ASN 71 3.260 4.916 7.935 540 1HB ASN 71 2HB ASN 71 4.577 3.275 9.568 541 2HB ASN 71 1HB ASN 71 3.086 3.401 10.497 542 1HD2 ASN 71 1HD2 ASN 71 4.610 1.550 8.347 543 2HD2 ASN 71 2HD2 ASN 71 3.265 0.863 7.506 544 H CYS 72 H CYS 72 1.955 6.844 8.093 545 HA CYS 72 HA CYS 72 0.342 7.341 10.401 546 1HB CYS 72 2HB CYS 72 0.606 8.476 7.673 547 2HB CYS 72 1HB CYS 72 -0.954 8.691 8.459 548 HG CYS 72 HG CYS 72 0.417 9.881 10.439 549 H TYR 73 H TYR 73 -1.165 5.928 11.010 550 HA TYR 73 HA TYR 73 -2.878 4.737 8.927 551 1HB TYR 73 2HB TYR 73 -3.253 2.985 10.872 552 2HB TYR 73 1HB TYR 73 -1.871 2.859 9.794 553 HD1 TYR 73 1HD TYR 73 0.308 2.860 10.648 554 HD2 TYR 73 2HD TYR 73 -2.904 4.139 13.127 555 HE1 TYR 73 1HE TYR 73 1.828 2.913 12.581 556 HE2 TYR 73 2HE TYR 73 -1.392 4.199 15.064 557 HH TYR 73 HH TYR 73 1.148 2.737 15.462 558 H VAL 74 H VAL 74 -4.899 5.471 8.945 559 HA VAL 74 HA VAL 74 -6.126 6.083 11.551 560 HB VAL 74 HB VAL 74 -6.718 7.772 9.139 561 1HG1 VAL 74 1HG1 VAL 74 -7.823 9.185 10.602 562 2HG1 VAL 74 2HG1 VAL 74 -6.950 8.575 12.008 563 3HG1 VAL 74 3HG1 VAL 74 -8.200 7.589 11.249 564 1HG2 VAL 74 1HG2 VAL 74 -4.637 8.291 11.257 565 2HG2 VAL 74 2HG2 VAL 74 -5.203 9.479 10.084 566 3HG2 VAL 74 3HG2 VAL 74 -4.348 8.037 9.535 567 H SER 75 H SER 75 -7.179 4.085 11.451 568 HA SER 75 HA SER 75 -9.759 4.025 10.543 569 1HB SER 75 2HB SER 75 -9.379 3.945 8.277 570 2HB SER 75 1HB SER 75 -7.812 3.158 8.458 571 HG SER 75 HG SER 75 -8.841 1.218 8.793 572 H GLY 76 H GLY 76 -6.953 1.826 10.530 573 1HA GLY 76 2HA GLY 76 -7.217 0.434 12.774 574 2HA GLY 76 1HA GLY 76 -8.544 -0.238 11.839 575 H PHE 77 H PHE 77 -7.533 -2.300 11.906 576 HA PHE 77 HA PHE 77 -5.995 -2.910 9.647 577 1HB PHE 77 2HB PHE 77 -4.415 -1.906 11.725 578 2HB PHE 77 1HB PHE 77 -4.186 -3.651 11.788 579 HD1 PHE 77 1HD PHE 77 -2.869 -0.762 10.495 580 HD2 PHE 77 2HD PHE 77 -3.964 -4.692 9.282 581 HE1 PHE 77 1HE PHE 77 -1.294 -0.616 8.608 582 HE2 PHE 77 2HE PHE 77 -2.391 -4.551 7.397 583 HZ PHE 77 HZ PHE 77 -1.058 -2.511 7.057 584 H HIS 78 H HIS 78 -7.624 -4.467 9.498 585 HA HIS 78 HA HIS 78 -7.017 -7.017 10.374 586 1HB HIS 78 2HB HIS 78 -7.555 -6.435 12.620 587 2HB HIS 78 1HB HIS 78 -9.034 -5.619 12.134 588 HD1 HIS 78 1HD HIS 78 -10.510 -7.079 13.648 589 HD2 HIS 78 2HD HIS 78 -8.325 -9.239 10.850 590 HE1 HIS 78 1HE HIS 78 -11.477 -9.399 13.686 591 HE2 HIS 78 2HE HIS 78 -10.194 -10.667 11.927 592 HA PRO 79 HA PRO 79 -11.484 -7.100 8.543 593 1HB PRO 79 2HB PRO 79 -12.685 -4.728 7.997 594 2HB PRO 79 1HB PRO 79 -12.850 -5.550 9.553 595 1HG PRO 79 2HG PRO 79 -11.036 -3.292 8.787 596 2HG PRO 79 1HG PRO 79 -12.021 -3.487 10.250 597 1HD PRO 79 2HD PRO 79 -9.375 -4.007 10.222 598 2HD PRO 79 1HD PRO 79 -10.510 -4.930 11.228 599 H SER 80 H SER 80 -9.323 -7.333 7.109 600 HA SER 80 HA SER 80 -10.045 -6.725 4.490 601 1HB SER 80 2HB SER 80 -8.336 -4.681 5.821 602 2HB SER 80 1HB SER 80 -7.931 -5.122 4.162 603 HG SER 80 HG SER 80 -10.381 -4.085 5.138 604 H ASP 81 H ASP 81 -8.410 -7.361 2.911 605 HA ASP 81 HA ASP 81 -6.630 -9.387 4.041 606 1HB ASP 81 2HB ASP 81 -7.313 -8.962 1.128 607 2HB ASP 81 1HB ASP 81 -6.604 -10.396 1.868 608 H ILE 82 H ILE 82 -5.433 -7.231 4.688 609 HA ILE 82 HA ILE 82 -3.442 -6.694 2.584 610 HB ILE 82 HB ILE 82 -3.142 -4.470 3.355 611 1HG1 ILE 82 2HG1 ILE 82 -3.392 -4.988 5.796 612 2HG1 ILE 82 1HG1 ILE 82 -4.205 -3.513 5.294 613 1HG2 ILE 82 1HG2 ILE 82 -6.111 -4.635 3.499 614 2HG2 ILE 82 2HG2 ILE 82 -5.293 -5.190 2.040 615 3HG2 ILE 82 3HG2 ILE 82 -5.082 -3.529 2.591 616 1HD1 ILE 82 1HD1 ILE 82 -6.167 -5.412 5.035 617 2HD1 ILE 82 2HD1 ILE 82 -5.961 -4.308 6.394 618 3HD1 ILE 82 3HD1 ILE 82 -5.285 -5.935 6.470 619 H GLU 83 H GLU 83 -1.407 -5.609 3.773 620 HA GLU 83 HA GLU 83 -0.700 -6.504 6.337 621 1HB GLU 83 2HB GLU 83 -0.448 -8.478 4.223 622 2HB GLU 83 1HB GLU 83 1.105 -8.143 4.979 623 1HG GLU 83 2HG GLU 83 0.442 -8.947 7.022 624 2HG GLU 83 1HG GLU 83 -1.267 -8.656 6.702 625 H VAL 84 H VAL 84 1.310 -5.754 6.978 626 HA VAL 84 HA VAL 84 2.740 -4.142 4.967 627 HB VAL 84 HB VAL 84 2.581 -3.705 7.955 628 1HG1 VAL 84 1HG1 VAL 84 4.021 -2.195 5.782 629 2HG1 VAL 84 2HG1 VAL 84 4.713 -2.958 7.214 630 3HG1 VAL 84 3HG1 VAL 84 3.698 -1.526 7.382 631 1HG2 VAL 84 1HG2 VAL 84 1.606 -1.590 6.208 632 2HG2 VAL 84 2HG2 VAL 84 0.858 -2.323 7.626 633 3HG2 VAL 84 3HG2 VAL 84 0.693 -3.091 6.047 634 H ASP 85 H ASP 85 4.638 -4.940 4.394 635 HA ASP 85 HA ASP 85 6.350 -6.158 6.436 636 1HB ASP 85 2HB ASP 85 5.609 -7.390 3.780 637 2HB ASP 85 1HB ASP 85 7.033 -7.883 4.692 638 H LEU 86 H LEU 86 8.102 -4.911 6.487 639 HA LEU 86 HA LEU 86 9.776 -4.570 4.237 640 1HB LEU 86 2HB LEU 86 9.594 -2.175 3.911 641 2HB LEU 86 1HB LEU 86 8.057 -2.957 3.590 642 HG LEU 86 HG LEU 86 8.723 -1.536 6.168 643 1HD1 LEU 86 1HD1 LEU 86 7.882 0.395 5.360 644 2HD1 LEU 86 2HD1 LEU 86 6.762 -0.418 4.266 645 3HD1 LEU 86 3HD1 LEU 86 8.465 -0.263 3.831 646 1HD2 LEU 86 1HD2 LEU 86 7.008 -2.934 6.750 647 2HD2 LEU 86 2HD2 LEU 86 6.345 -2.982 5.116 648 3HD2 LEU 86 3HD2 LEU 86 6.090 -1.562 6.130 649 H LEU 87 H LEU 87 11.497 -2.789 4.746 650 HA LEU 87 HA LEU 87 13.254 -2.212 6.075 651 1HB LEU 87 2HB LEU 87 10.865 -1.762 7.795 652 2HB LEU 87 1HB LEU 87 12.448 -1.659 8.540 653 HG LEU 87 HG LEU 87 12.373 -0.123 6.089 654 1HD1 LEU 87 1HD1 LEU 87 9.992 0.088 6.574 655 2HD1 LEU 87 2HD1 LEU 87 10.831 1.618 6.833 656 3HD1 LEU 87 3HD1 LEU 87 10.366 0.622 8.213 657 1HD2 LEU 87 1HD2 LEU 87 13.463 1.470 7.375 658 2HD2 LEU 87 2HD2 LEU 87 13.920 -0.042 8.159 659 3HD2 LEU 87 3HD2 LEU 87 12.658 0.969 8.861 660 H LYS 88 H LYS 88 14.326 -4.198 6.029 661 HA LYS 88 HA LYS 88 14.932 -5.363 8.483 662 1HB LYS 88 2HB LYS 88 12.576 -6.480 7.196 663 2HB LYS 88 1HB LYS 88 13.824 -7.696 7.432 664 1HG LYS 88 2HG LYS 88 13.607 -7.681 9.675 665 2HG LYS 88 1HG LYS 88 13.271 -5.950 9.741 666 1HD LYS 88 2HD LYS 88 11.000 -6.316 9.019 667 2HD LYS 88 1HD LYS 88 11.320 -8.033 8.766 668 1HE LYS 88 2HE LYS 88 11.198 -8.520 10.973 669 2HE LYS 88 1HE LYS 88 11.909 -6.981 11.459 670 1HZ LYS 88 1HZ LYS 88 9.554 -7.231 12.100 671 2HZ LYS 88 2HZ LYS 88 9.130 -7.296 10.464 672 3HZ LYS 88 3HZ LYS 88 9.825 -5.892 11.103 Start of MODEL 10 1 1H SER 1 1HT SER 1 15.321 4.795 -5.928 2 2H SER 1 2HT SER 1 14.827 5.391 -4.396 3 3H SER 1 3HT SER 1 16.362 4.642 -4.573 4 HA SER 1 HA SER 1 16.832 6.861 -4.505 5 1HB SER 1 2HB SER 1 16.570 6.547 -7.469 6 2HB SER 1 1HB SER 1 17.947 7.105 -6.518 7 HG SER 1 HG SER 1 18.062 4.853 -5.758 8 H ASN 2 H ASN 2 13.943 6.192 -6.365 9 HA ASN 2 HA ASN 2 12.631 8.537 -5.568 10 1HB ASN 2 2HB ASN 2 14.383 8.885 -7.817 11 2HB ASN 2 1HB ASN 2 12.717 9.092 -8.346 12 1HD2 ASN 2 1HD2 ASN 2 13.069 11.288 -8.707 13 2HD2 ASN 2 2HD2 ASN 2 13.171 12.419 -7.406 14 H PHE 3 H PHE 3 11.091 6.880 -5.183 15 HA PHE 3 HA PHE 3 9.623 6.087 -7.608 16 1HB PHE 3 2HB PHE 3 10.531 4.045 -6.959 17 2HB PHE 3 1HB PHE 3 10.434 4.430 -5.245 18 HD1 PHE 3 1HD PHE 3 8.240 3.787 -8.190 19 HD2 PHE 3 2HD PHE 3 8.762 3.492 -3.978 20 HE1 PHE 3 1HE PHE 3 6.146 2.503 -8.024 21 HE2 PHE 3 2HE PHE 3 6.674 2.204 -3.813 22 HZ PHE 3 HZ PHE 3 5.365 1.707 -5.828 23 H LEU 4 H LEU 4 7.814 7.221 -7.624 24 HA LEU 4 HA LEU 4 6.410 7.701 -5.085 25 1HB LEU 4 2HB LEU 4 5.146 9.368 -6.739 26 2HB LEU 4 1HB LEU 4 6.604 9.814 -5.877 27 HG LEU 4 HG LEU 4 7.918 9.189 -7.921 28 1HD1 LEU 4 1HD1 LEU 4 6.484 7.708 -9.065 29 2HD1 LEU 4 2HD1 LEU 4 6.563 9.164 -10.055 30 3HD1 LEU 4 3HD1 LEU 4 5.150 8.861 -9.045 31 1HD2 LEU 4 1HD2 LEU 4 5.926 11.407 -7.840 32 2HD2 LEU 4 2HD2 LEU 4 6.926 11.190 -9.277 33 3HD2 LEU 4 3HD2 LEU 4 7.684 11.465 -7.709 34 H ASN 5 H ASN 5 4.719 6.446 -4.717 35 HA ASN 5 HA ASN 5 3.052 5.624 -6.994 36 1HB ASN 5 2HB ASN 5 2.727 3.423 -5.984 37 2HB ASN 5 1HB ASN 5 4.433 3.718 -6.293 38 1HD2 ASN 5 1HD2 ASN 5 5.590 4.751 -4.364 39 2HD2 ASN 5 2HD2 ASN 5 5.252 4.051 -2.823 40 H CYS 6 H CYS 6 2.008 7.664 -6.123 41 HA CYS 6 HA CYS 6 0.449 7.278 -3.697 42 1HB CYS 6 2HB CYS 6 1.487 9.469 -4.103 43 2HB CYS 6 1HB CYS 6 0.581 9.624 -5.605 44 HG CYS 6 HG CYS 6 -0.403 10.552 -3.015 45 H TYR 7 H TYR 7 -1.452 6.291 -3.772 46 HA TYR 7 HA TYR 7 -3.056 6.534 -6.228 47 1HB TYR 7 2HB TYR 7 -3.028 4.309 -6.387 48 2HB TYR 7 1HB TYR 7 -2.075 4.196 -4.917 49 HD1 TYR 7 1HD TYR 7 -5.640 4.737 -5.925 50 HD2 TYR 7 2HD TYR 7 -2.920 2.904 -3.216 51 HE1 TYR 7 1HE TYR 7 -7.519 3.615 -4.806 52 HE2 TYR 7 2HE TYR 7 -4.792 1.778 -2.089 53 HH TYR 7 HH TYR 7 -7.057 1.106 -2.513 54 H VAL 8 H VAL 8 -5.083 7.241 -6.050 55 HA VAL 8 HA VAL 8 -6.393 7.258 -3.436 56 HB VAL 8 HB VAL 8 -6.932 9.579 -3.496 57 1HG1 VAL 8 1HG1 VAL 8 -4.870 10.496 -2.998 58 2HG1 VAL 8 2HG1 VAL 8 -4.057 9.647 -4.311 59 3HG1 VAL 8 3HG1 VAL 8 -4.541 8.769 -2.860 60 1HG2 VAL 8 1HG2 VAL 8 -5.921 11.019 -5.368 61 2HG2 VAL 8 2HG2 VAL 8 -7.362 10.075 -5.743 62 3HG2 VAL 8 3HG2 VAL 8 -5.775 9.508 -6.265 63 H SER 9 H SER 9 -8.707 7.940 -3.611 64 HA SER 9 HA SER 9 -10.779 7.915 -4.575 65 1HB SER 9 2HB SER 9 -11.050 8.451 -6.787 66 2HB SER 9 1HB SER 9 -9.357 8.908 -6.605 67 HG SER 9 HG SER 9 -8.742 7.072 -7.625 68 H GLY 10 H GLY 10 -11.848 6.346 -6.576 69 1HA GLY 10 2HA GLY 10 -11.766 3.763 -5.304 70 2HA GLY 10 1HA GLY 10 -12.801 4.237 -6.641 71 H PHE 11 H PHE 11 -12.274 2.041 -7.385 72 HA PHE 11 HA PHE 11 -9.797 2.067 -8.973 73 1HB PHE 11 2HB PHE 11 -10.258 0.378 -6.819 74 2HB PHE 11 1HB PHE 11 -10.675 -0.613 -8.211 75 HD1 PHE 11 1HD PHE 11 -8.063 2.018 -7.955 76 HD2 PHE 11 2HD PHE 11 -8.926 -2.133 -8.330 77 HE1 PHE 11 1HE PHE 11 -5.677 1.559 -8.340 78 HE2 PHE 11 2HE PHE 11 -6.540 -2.598 -8.715 79 HZ PHE 11 HZ PHE 11 -4.913 -0.750 -8.719 80 H HIS 12 H HIS 12 -10.340 -0.503 -10.155 81 HA HIS 12 HA HIS 12 -12.904 -0.671 -11.283 82 1HB HIS 12 2HB HIS 12 -11.498 1.452 -12.360 83 2HB HIS 12 1HB HIS 12 -11.220 0.159 -13.523 84 HD1 HIS 12 1HD HIS 12 -14.248 -0.983 -12.717 85 HD2 HIS 12 2HD HIS 12 -13.141 2.669 -14.364 86 HE1 HIS 12 1HE HIS 12 -16.299 -0.128 -13.893 87 HE2 HIS 12 2HE HIS 12 -15.582 2.043 -14.952 88 HA PRO 13 HA PRO 13 -9.894 -3.497 -13.825 89 1HB PRO 13 2HB PRO 13 -7.248 -3.355 -13.136 90 2HB PRO 13 1HB PRO 13 -7.967 -2.440 -14.466 91 1HG PRO 13 2HG PRO 13 -7.354 -1.558 -11.672 92 2HG PRO 13 1HG PRO 13 -7.095 -0.695 -13.200 93 1HD PRO 13 2HD PRO 13 -9.176 -0.136 -11.603 94 2HD PRO 13 1HD PRO 13 -9.315 -0.069 -13.370 95 H SER 14 H SER 14 -9.406 -2.743 -10.459 96 HA SER 14 HA SER 14 -9.436 -4.045 -8.594 97 1HB SER 14 2HB SER 14 -9.928 -6.442 -10.362 98 2HB SER 14 1HB SER 14 -10.363 -6.236 -8.666 99 HG SER 14 HG SER 14 -11.818 -5.668 -10.799 100 H ASP 15 H ASP 15 -8.029 -6.149 -11.118 101 HA ASP 15 HA ASP 15 -5.916 -6.982 -9.364 102 1HB ASP 15 2HB ASP 15 -6.468 -7.486 -12.290 103 2HB ASP 15 1HB ASP 15 -5.075 -8.154 -11.446 104 H ILE 16 H ILE 16 -3.980 -6.082 -9.098 105 HA ILE 16 HA ILE 16 -2.679 -4.624 -11.214 106 HB ILE 16 HB ILE 16 -4.190 -2.913 -10.245 107 1HG1 ILE 16 2HG1 ILE 16 -1.878 -2.444 -11.234 108 2HG1 ILE 16 1HG1 ILE 16 -2.588 -1.181 -10.236 109 1HG2 ILE 16 1HG2 ILE 16 -4.382 -3.582 -7.985 110 2HG2 ILE 16 2HG2 ILE 16 -3.576 -2.012 -7.980 111 3HG2 ILE 16 3HG2 ILE 16 -2.639 -3.485 -7.734 112 1HD1 ILE 16 1HD1 ILE 16 -0.737 -1.155 -9.035 113 2HD1 ILE 16 2HD1 ILE 16 -0.088 -2.517 -9.947 114 3HD1 ILE 16 3HD1 ILE 16 -1.071 -2.806 -8.513 115 H GLU 17 H GLU 17 -0.497 -4.595 -10.983 116 HA GLU 17 HA GLU 17 0.655 -5.311 -8.388 117 1HB GLU 17 2HB GLU 17 2.137 -6.969 -9.462 118 2HB GLU 17 1HB GLU 17 0.441 -7.420 -9.570 119 1HG GLU 17 2HG GLU 17 0.345 -7.058 -11.836 120 2HG GLU 17 1HG GLU 17 1.696 -5.928 -11.821 121 H VAL 18 H VAL 18 2.578 -4.351 -7.951 122 HA VAL 18 HA VAL 18 3.733 -2.664 -10.077 123 HB VAL 18 HB VAL 18 3.897 -2.162 -7.103 124 1HG1 VAL 18 1HG1 VAL 18 4.618 0.095 -7.839 125 2HG1 VAL 18 2HG1 VAL 18 4.641 -0.493 -9.501 126 3HG1 VAL 18 3HG1 VAL 18 5.736 -1.185 -8.306 127 1HG2 VAL 18 1HG2 VAL 18 1.623 -1.861 -7.611 128 2HG2 VAL 18 2HG2 VAL 18 1.981 -1.123 -9.173 129 3HG2 VAL 18 3HG2 VAL 18 2.321 -0.242 -7.683 130 H ASP 19 H ASP 19 5.747 -3.111 -10.677 131 HA ASP 19 HA ASP 19 7.393 -4.783 -8.894 132 1HB ASP 19 2HB ASP 19 7.593 -4.568 -11.904 133 2HB ASP 19 1HB ASP 19 8.472 -5.686 -10.865 134 H LEU 20 H LEU 20 9.331 -4.057 -8.259 135 HA LEU 20 HA LEU 20 10.922 -2.229 -9.722 136 1HB LEU 20 2HB LEU 20 8.909 -1.090 -8.018 137 2HB LEU 20 1HB LEU 20 10.496 -0.696 -7.386 138 HG LEU 20 HG LEU 20 9.454 -0.073 -10.148 139 1HD1 LEU 20 1HD1 LEU 20 10.151 2.281 -9.161 140 2HD1 LEU 20 2HD1 LEU 20 9.806 1.466 -7.636 141 3HD1 LEU 20 3HD1 LEU 20 8.557 1.586 -8.874 142 1HD2 LEU 20 1HD2 LEU 20 11.743 1.293 -10.007 143 2HD2 LEU 20 2HD2 LEU 20 11.642 -0.333 -10.680 144 3HD2 LEU 20 3HD2 LEU 20 12.190 -0.098 -9.020 145 H LEU 21 H LEU 21 11.208 -4.742 -8.399 146 HA LEU 21 HA LEU 21 12.951 -4.120 -6.124 147 1HB LEU 21 2HB LEU 21 11.300 -5.818 -5.681 148 2HB LEU 21 1HB LEU 21 11.774 -6.718 -7.108 149 HG LEU 21 HG LEU 21 13.985 -6.310 -5.242 150 1HD1 LEU 21 1HD1 LEU 21 13.251 -7.453 -3.397 151 2HD1 LEU 21 2HD1 LEU 21 11.947 -8.252 -4.274 152 3HD1 LEU 21 3HD1 LEU 21 11.795 -6.555 -3.822 153 1HD2 LEU 21 1HD2 LEU 21 14.498 -8.515 -5.798 154 2HD2 LEU 21 2HD2 LEU 21 13.761 -7.872 -7.265 155 3HD2 LEU 21 3HD2 LEU 21 12.824 -8.907 -6.187 156 H LYS 22 H LYS 22 12.996 -6.359 -8.908 157 HA LYS 22 HA LYS 22 14.685 -7.078 -10.251 158 1HB LYS 22 2HB LYS 22 15.922 -4.432 -9.467 159 2HB LYS 22 1HB LYS 22 16.484 -5.460 -10.778 160 1HG LYS 22 2HG LYS 22 13.756 -5.071 -11.250 161 2HG LYS 22 1HG LYS 22 14.388 -3.497 -10.764 162 1HD LYS 22 2HD LYS 22 15.631 -3.277 -12.634 163 2HD LYS 22 1HD LYS 22 16.062 -4.988 -12.672 164 1HE LYS 22 2HE LYS 22 13.384 -3.857 -13.477 165 2HE LYS 22 1HE LYS 22 14.674 -4.293 -14.597 166 1HZ LYS 22 1HZ LYS 22 13.564 -6.234 -14.633 167 2HZ LYS 22 2HZ LYS 22 12.849 -6.000 -13.117 168 3HZ LYS 22 3HZ LYS 22 14.443 -6.552 -13.222 169 1H SER 23 1HT SER 23 12.471 11.976 -1.795 170 2H SER 23 2HT SER 23 13.196 10.545 -2.407 171 3H SER 23 3HT SER 23 13.137 10.824 -0.714 172 HA SER 23 HA SER 23 10.768 10.704 -0.751 173 1HB SER 23 2HB SER 23 9.541 10.437 -2.712 174 2HB SER 23 1HB SER 23 10.852 11.477 -3.264 175 HG SER 23 HG SER 23 10.200 9.287 -4.366 176 H ASN 24 H ASN 24 12.731 8.630 -2.882 177 HA ASN 24 HA ASN 24 13.301 6.439 -2.779 178 1HB ASN 24 2HB ASN 24 14.117 6.971 -0.538 179 2HB ASN 24 1HB ASN 24 12.511 6.701 0.126 180 1HD2 ASN 24 1HD2 ASN 24 15.349 5.392 0.189 181 2HD2 ASN 24 2HD2 ASN 24 14.977 3.707 0.123 182 H PHE 25 H PHE 25 10.847 5.958 -0.279 183 HA PHE 25 HA PHE 25 9.162 4.633 -2.303 184 1HB PHE 25 2HB PHE 25 10.292 2.911 -1.050 185 2HB PHE 25 1HB PHE 25 9.872 3.679 0.476 186 HD1 PHE 25 1HD PHE 25 7.622 3.151 -2.415 187 HD2 PHE 25 2HD PHE 25 8.690 1.958 1.522 188 HE1 PHE 25 1HE PHE 25 5.586 1.769 -2.285 189 HE2 PHE 25 2HE PHE 25 6.660 0.577 1.661 190 HZ PHE 25 HZ PHE 25 5.106 0.480 -0.246 191 H LEU 26 H LEU 26 7.454 5.964 -2.510 192 HA LEU 26 HA LEU 26 6.159 6.914 -0.034 193 1HB LEU 26 2HB LEU 26 6.551 8.186 -2.702 194 2HB LEU 26 1HB LEU 26 5.122 8.598 -1.776 195 HG LEU 26 HG LEU 26 6.681 9.203 0.131 196 1HD1 LEU 26 1HD1 LEU 26 8.993 9.864 -0.724 197 2HD1 LEU 26 2HD1 LEU 26 8.674 8.764 -2.066 198 3HD1 LEU 26 3HD1 LEU 26 8.698 8.153 -0.411 199 1HD2 LEU 26 1HD2 LEU 26 7.371 11.368 -1.011 200 2HD2 LEU 26 2HD2 LEU 26 5.652 10.972 -1.023 201 3HD2 LEU 26 3HD2 LEU 26 6.628 10.707 -2.468 202 H ASN 27 H ASN 27 4.803 5.125 0.228 203 HA ASN 27 HA ASN 27 2.941 4.514 -1.945 204 1HB ASN 27 2HB ASN 27 4.217 2.746 -0.515 205 2HB ASN 27 1HB ASN 27 2.974 3.074 0.687 206 1HD2 ASN 27 1HD2 ASN 27 3.795 1.037 -1.689 207 2HD2 ASN 27 2HD2 ASN 27 2.233 0.499 -2.192 208 H CYS 28 H CYS 28 1.182 5.740 -2.016 209 HA CYS 28 HA CYS 28 -0.069 6.551 0.525 210 1HB CYS 28 2HB CYS 28 -0.603 7.872 -2.123 211 2HB CYS 28 1HB CYS 28 -0.868 8.510 -0.504 212 HG CYS 28 HG CYS 28 2.074 8.110 -1.000 213 H TYR 29 H TYR 29 -2.233 6.225 0.859 214 HA TYR 29 HA TYR 29 -3.867 5.082 -1.254 215 1HB TYR 29 2HB TYR 29 -2.934 3.065 -0.404 216 2HB TYR 29 1HB TYR 29 -3.111 3.598 1.262 217 HD1 TYR 29 1HD TYR 29 -4.128 1.333 1.632 218 HD2 TYR 29 2HD TYR 29 -5.965 4.240 -0.877 219 HE1 TYR 29 1HE TYR 29 -6.260 0.120 1.789 220 HE2 TYR 29 2HE TYR 29 -8.099 3.035 -0.716 221 HH TYR 29 HH TYR 29 -8.899 0.990 1.494 222 H VAL 30 H VAL 30 -5.415 6.605 -1.189 223 HA VAL 30 HA VAL 30 -6.797 6.982 1.387 224 HB VAL 30 HB VAL 30 -7.241 9.302 0.871 225 1HG1 VAL 30 1HG1 VAL 30 -5.255 10.049 1.629 226 2HG1 VAL 30 2HG1 VAL 30 -4.345 9.270 0.336 227 3HG1 VAL 30 3HG1 VAL 30 -4.879 8.330 1.729 228 1HG2 VAL 30 1HG2 VAL 30 -5.630 10.084 -1.179 229 2HG2 VAL 30 2HG2 VAL 30 -7.364 9.792 -1.317 230 3HG2 VAL 30 3HG2 VAL 30 -6.219 8.529 -1.766 231 H SER 31 H SER 31 -8.962 6.832 1.372 232 HA SER 31 HA SER 31 -11.110 6.627 0.627 233 1HB SER 31 2HB SER 31 -10.328 7.033 -2.236 234 2HB SER 31 1HB SER 31 -11.785 7.553 -1.388 235 HG SER 31 HG SER 31 -9.624 8.971 -1.875 236 H GLY 32 H GLY 32 -11.016 4.435 1.181 237 1HA GLY 32 2HA GLY 32 -9.943 2.378 -0.378 238 2HA GLY 32 1HA GLY 32 -11.237 2.184 0.795 239 H PHE 33 H PHE 33 -11.691 0.506 -0.986 240 HA PHE 33 HA PHE 33 -13.951 1.453 -2.460 241 1HB PHE 33 2HB PHE 33 -13.004 0.548 -4.678 242 2HB PHE 33 1HB PHE 33 -12.477 2.138 -4.145 243 HD1 PHE 33 1HD PHE 33 -10.375 2.400 -5.061 244 HD2 PHE 33 2HD PHE 33 -11.307 -1.226 -3.037 245 HE1 PHE 33 1HE PHE 33 -8.032 1.685 -5.265 246 HE2 PHE 33 2HE PHE 33 -8.967 -1.943 -3.233 247 HZ PHE 33 HZ PHE 33 -7.324 -0.488 -4.350 248 H HIS 34 H HIS 34 -14.470 -0.545 -4.164 249 HA HIS 34 HA HIS 34 -15.277 -2.661 -2.521 250 1HB HIS 34 2HB HIS 34 -14.894 -2.879 -5.507 251 2HB HIS 34 1HB HIS 34 -16.067 -3.722 -4.500 252 HD1 HIS 34 1HD HIS 34 -18.121 -2.316 -3.658 253 HD2 HIS 34 2HD HIS 34 -15.668 -0.379 -6.396 254 HE1 HIS 34 1HE HIS 34 -19.443 -0.334 -4.458 255 HE2 HIS 34 2HE HIS 34 -17.882 0.900 -6.003 256 HA PRO 35 HA PRO 35 -12.047 -5.601 -2.037 257 1HB PRO 35 2HB PRO 35 -13.615 -7.474 -3.760 258 2HB PRO 35 1HB PRO 35 -12.878 -7.753 -2.177 259 1HG PRO 35 2HG PRO 35 -15.498 -7.360 -2.390 260 2HG PRO 35 1HG PRO 35 -14.582 -6.657 -1.043 261 1HD PRO 35 2HD PRO 35 -15.696 -5.339 -3.470 262 2HD PRO 35 1HD PRO 35 -15.492 -4.697 -1.828 263 H SER 36 H SER 36 -10.230 -5.075 -3.102 264 HA SER 36 HA SER 36 -9.992 -5.925 -5.905 265 1HB SER 36 2HB SER 36 -9.256 -3.254 -4.725 266 2HB SER 36 1HB SER 36 -8.435 -3.868 -6.160 267 HG SER 36 HG SER 36 -10.667 -4.157 -7.006 268 H ASP 37 H ASP 37 -7.750 -6.279 -6.590 269 HA ASP 37 HA ASP 37 -6.110 -7.216 -4.336 270 1HB ASP 37 2HB ASP 37 -6.978 -8.807 -6.203 271 2HB ASP 37 1HB ASP 37 -5.702 -8.087 -7.181 272 H ILE 38 H ILE 38 -4.674 -5.687 -3.823 273 HA ILE 38 HA ILE 38 -3.109 -4.475 -6.009 274 HB ILE 38 HB ILE 38 -3.173 -3.081 -3.396 275 1HG1 ILE 38 2HG1 ILE 38 -5.557 -3.704 -3.745 276 2HG1 ILE 38 1HG1 ILE 38 -5.285 -1.966 -3.819 277 1HG2 ILE 38 1HG2 ILE 38 -3.660 -1.605 -5.873 278 2HG2 ILE 38 2HG2 ILE 38 -2.166 -2.542 -5.870 279 3HG2 ILE 38 3HG2 ILE 38 -2.459 -1.345 -4.609 280 1HD1 ILE 38 1HD1 ILE 38 -6.177 -3.839 -5.903 281 2HD1 ILE 38 2HD1 ILE 38 -5.066 -2.570 -6.418 282 3HD1 ILE 38 3HD1 ILE 38 -6.589 -2.145 -5.638 283 H GLU 39 H GLU 39 -1.064 -5.161 -6.040 284 HA GLU 39 HA GLU 39 0.252 -5.718 -3.470 285 1HB GLU 39 2HB GLU 39 1.211 -7.729 -4.241 286 2HB GLU 39 1HB GLU 39 -0.478 -7.815 -4.714 287 1HG GLU 39 2HG GLU 39 0.299 -8.390 -6.716 288 2HG GLU 39 1HG GLU 39 0.672 -6.678 -6.913 289 H VAL 40 H VAL 40 2.335 -5.052 -3.269 290 HA VAL 40 HA VAL 40 3.657 -3.941 -5.649 291 HB VAL 40 HB VAL 40 3.513 -2.544 -2.971 292 1HG1 VAL 40 1HG1 VAL 40 5.056 -2.031 -5.475 293 2HG1 VAL 40 2HG1 VAL 40 5.567 -1.902 -3.792 294 3HG1 VAL 40 3HG1 VAL 40 4.519 -0.669 -4.492 295 1HG2 VAL 40 1HG2 VAL 40 2.196 -0.849 -4.122 296 2HG2 VAL 40 2HG2 VAL 40 1.400 -2.421 -4.205 297 3HG2 VAL 40 3HG2 VAL 40 2.261 -1.791 -5.611 298 H ASP 41 H ASP 41 5.573 -4.868 -5.891 299 HA ASP 41 HA ASP 41 7.068 -5.659 -3.478 300 1HB ASP 41 2HB ASP 41 7.987 -7.551 -4.757 301 2HB ASP 41 1HB ASP 41 6.231 -7.643 -4.646 302 H LEU 42 H LEU 42 8.600 -4.140 -3.279 303 HA LEU 42 HA LEU 42 10.347 -3.670 -5.597 304 1HB LEU 42 2HB LEU 42 9.993 -1.387 -3.764 305 2HB LEU 42 1HB LEU 42 10.187 -1.413 -5.506 306 HG LEU 42 HG LEU 42 7.622 -2.032 -4.035 307 1HD1 LEU 42 1HD1 LEU 42 7.902 0.312 -5.815 308 2HD1 LEU 42 2HD1 LEU 42 8.669 0.408 -4.230 309 3HD1 LEU 42 3HD1 LEU 42 6.936 0.100 -4.354 310 1HD2 LEU 42 1HD2 LEU 42 7.271 -1.387 -6.786 311 2HD2 LEU 42 2HD2 LEU 42 6.866 -2.880 -5.940 312 3HD2 LEU 42 3HD2 LEU 42 8.463 -2.679 -6.660 313 H LEU 43 H LEU 43 12.367 -2.356 -4.760 314 HA LEU 43 HA LEU 43 13.212 -3.394 -2.149 315 1HB LEU 43 2HB LEU 43 14.066 -4.957 -3.791 316 2HB LEU 43 1HB LEU 43 14.747 -3.644 -4.733 317 HG LEU 43 HG LEU 43 15.946 -3.293 -2.278 318 1HD1 LEU 43 1HD1 LEU 43 15.297 -6.163 -2.678 319 2HD1 LEU 43 2HD1 LEU 43 15.451 -5.233 -1.188 320 3HD1 LEU 43 3HD1 LEU 43 16.895 -5.747 -2.058 321 1HD2 LEU 43 1HD2 LEU 43 16.867 -4.767 -4.737 322 2HD2 LEU 43 2HD2 LEU 43 17.935 -4.326 -3.405 323 3HD2 LEU 43 3HD2 LEU 43 17.120 -3.069 -4.335 324 H LYS 44 H LYS 44 14.092 -1.293 -4.879 325 HA LYS 44 HA LYS 44 15.828 0.344 -3.304 326 1HB LYS 44 2HB LYS 44 14.585 1.109 -5.940 327 2HB LYS 44 1HB LYS 44 16.107 1.666 -5.258 328 1HG LYS 44 2HG LYS 44 16.661 -0.931 -5.390 329 2HG LYS 44 1HG LYS 44 15.470 -0.843 -6.689 330 1HD LYS 44 2HD LYS 44 17.572 1.245 -6.642 331 2HD LYS 44 1HD LYS 44 18.075 -0.390 -7.078 332 1HE LYS 44 2HE LYS 44 15.967 1.299 -8.411 333 2HE LYS 44 1HE LYS 44 17.510 0.781 -9.088 334 1HZ LYS 44 1HZ LYS 44 16.456 -1.571 -8.516 335 2HZ LYS 44 2HZ LYS 44 16.195 -0.795 -9.995 336 3HZ LYS 44 3HZ LYS 44 15.025 -0.705 -8.777 337 1H SER 45 1HT SER 45 14.706 4.958 6.394 338 2H SER 45 2HT SER 45 15.182 3.310 6.340 339 3H SER 45 3HT SER 45 13.580 3.757 5.916 340 HA SER 45 HA SER 45 15.930 4.762 4.481 341 1HB SER 45 2HB SER 45 15.400 2.922 2.832 342 2HB SER 45 1HB SER 45 16.090 2.368 4.358 343 HG SER 45 HG SER 45 13.301 2.473 3.885 344 H ASN 46 H ASN 46 13.699 6.265 5.200 345 HA ASN 46 HA ASN 46 12.085 7.608 4.333 346 1HB ASN 46 2HB ASN 46 13.521 6.785 1.815 347 2HB ASN 46 1HB ASN 46 12.171 7.916 1.794 348 1HD2 ASN 46 1HD2 ASN 46 14.339 8.922 0.810 349 2HD2 ASN 46 2HD2 ASN 46 15.151 9.980 1.908 350 H PHE 47 H PHE 47 10.829 5.611 5.191 351 HA PHE 47 HA PHE 47 9.286 4.372 3.016 352 1HB PHE 47 2HB PHE 47 10.219 2.713 4.456 353 2HB PHE 47 1HB PHE 47 9.726 3.589 5.899 354 HD1 PHE 47 1HD PHE 47 7.651 2.904 2.911 355 HD2 PHE 47 2HD PHE 47 8.439 1.968 6.983 356 HE1 PHE 47 1HE PHE 47 5.582 1.573 3.000 357 HE2 PHE 47 2HE PHE 47 6.374 0.639 7.085 358 HZ PHE 47 HZ PHE 47 4.941 0.437 5.091 359 H LEU 48 H LEU 48 7.353 5.205 2.585 360 HA LEU 48 HA LEU 48 5.867 6.505 4.771 361 1HB LEU 48 2HB LEU 48 6.752 8.205 3.281 362 2HB LEU 48 1HB LEU 48 6.070 7.382 1.891 363 HG LEU 48 HG LEU 48 3.815 7.878 2.655 364 1HD1 LEU 48 1HD1 LEU 48 3.736 7.898 4.933 365 2HD1 LEU 48 2HD1 LEU 48 3.793 9.633 4.624 366 3HD1 LEU 48 3HD1 LEU 48 5.259 8.773 5.090 367 1HD2 LEU 48 1HD2 LEU 48 5.123 9.539 1.305 368 2HD2 LEU 48 2HD2 LEU 48 5.469 10.390 2.810 369 3HD2 LEU 48 3HD2 LEU 48 3.804 10.223 2.253 370 H ASN 49 H ASN 49 4.215 5.228 5.241 371 HA ASN 49 HA ASN 49 2.565 4.206 3.029 372 1HB ASN 49 2HB ASN 49 2.117 2.173 4.346 373 2HB ASN 49 1HB ASN 49 3.832 2.338 3.988 374 1HD2 ASN 49 1HD2 ASN 49 5.092 3.512 5.728 375 2HD2 ASN 49 2HD2 ASN 49 4.730 3.081 7.361 376 H CYS 50 H CYS 50 0.865 5.578 3.130 377 HA CYS 50 HA CYS 50 -0.413 5.940 5.768 378 1HB CYS 50 2HB CYS 50 -1.359 8.054 4.801 379 2HB CYS 50 1HB CYS 50 0.389 8.058 4.994 380 HG CYS 50 HG CYS 50 0.610 7.763 2.412 381 H TYR 51 H TYR 51 -2.500 5.398 6.026 382 HA TYR 51 HA TYR 51 -4.127 4.869 3.651 383 1HB TYR 51 2HB TYR 51 -4.890 2.740 4.453 384 2HB TYR 51 1HB TYR 51 -3.132 2.714 4.436 385 HD1 TYR 51 1HD TYR 51 -1.899 2.325 6.426 386 HD2 TYR 51 2HD TYR 51 -6.096 2.992 6.637 387 HE1 TYR 51 1HE TYR 51 -1.890 1.599 8.775 388 HE2 TYR 51 2HE TYR 51 -6.098 2.271 8.988 389 HH TYR 51 HH TYR 51 -4.215 2.227 10.904 390 H VAL 52 H VAL 52 -6.046 5.789 3.775 391 HA VAL 52 HA VAL 52 -7.223 6.304 6.419 392 HB VAL 52 HB VAL 52 -7.727 8.534 5.973 393 1HG1 VAL 52 1HG1 VAL 52 -5.254 8.730 4.408 394 2HG1 VAL 52 2HG1 VAL 52 -5.124 7.774 5.883 395 3HG1 VAL 52 3HG1 VAL 52 -5.676 9.447 5.964 396 1HG2 VAL 52 1HG2 VAL 52 -7.277 9.508 3.618 397 2HG2 VAL 52 2HG2 VAL 52 -8.745 8.569 3.886 398 3HG2 VAL 52 3HG2 VAL 52 -7.360 7.828 3.086 399 H SER 53 H SER 53 -9.217 5.495 6.577 400 HA SER 53 HA SER 53 -11.366 5.887 4.964 401 1HB SER 53 2HB SER 53 -9.575 3.853 3.806 402 2HB SER 53 1HB SER 53 -11.264 3.360 3.924 403 HG SER 53 HG SER 53 -10.469 5.839 2.816 404 H GLY 54 H GLY 54 -10.374 2.572 5.695 405 1HA GLY 54 2HA GLY 54 -11.419 2.405 8.297 406 2HA GLY 54 1HA GLY 54 -12.691 1.975 7.162 407 H PHE 55 H PHE 55 -11.012 0.748 5.213 408 HA PHE 55 HA PHE 55 -10.093 -1.256 4.670 409 1HB PHE 55 2HB PHE 55 -8.865 -0.584 7.244 410 2HB PHE 55 1HB PHE 55 -8.897 -2.314 6.914 411 HD1 PHE 55 1HD PHE 55 -7.975 0.926 5.334 412 HD2 PHE 55 2HD PHE 55 -7.240 -3.255 5.620 413 HE1 PHE 55 1HE PHE 55 -6.020 1.174 3.861 414 HE2 PHE 55 2HE PHE 55 -5.282 -3.017 4.148 415 HZ PHE 55 HZ PHE 55 -4.672 -0.800 3.264 416 H HIS 56 H HIS 56 -11.094 -3.124 4.365 417 HA HIS 56 HA HIS 56 -11.981 -4.899 6.300 418 1HB HIS 56 2HB HIS 56 -13.656 -2.918 6.601 419 2HB HIS 56 1HB HIS 56 -14.395 -3.549 5.135 420 HD1 HIS 56 1HD HIS 56 -14.757 -3.778 8.630 421 HD2 HIS 56 2HD HIS 56 -14.862 -6.550 5.536 422 HE1 HIS 56 1HE HIS 56 -15.998 -5.764 9.548 423 HE2 HIS 56 2HE HIS 56 -15.986 -7.457 7.680 424 HA PRO 57 HA PRO 57 -13.532 -6.285 2.056 425 1HB PRO 57 2HB PRO 57 -14.023 -4.515 0.094 426 2HB PRO 57 1HB PRO 57 -15.157 -4.788 1.419 427 1HG PRO 57 2HG PRO 57 -13.392 -2.484 0.902 428 2HG PRO 57 1HG PRO 57 -14.886 -2.567 1.847 429 1HD PRO 57 2HD PRO 57 -12.176 -2.622 2.797 430 2HD PRO 57 1HD PRO 57 -13.670 -2.698 3.746 431 H SER 58 H SER 58 -11.602 -3.440 1.061 432 HA SER 58 HA SER 58 -10.289 -4.583 -1.074 433 1HB SER 58 2HB SER 58 -10.227 -2.177 -0.545 434 2HB SER 58 1HB SER 58 -9.182 -2.512 0.835 435 HG SER 58 HG SER 58 -8.166 -1.864 -1.248 436 H ASP 59 H ASP 59 -8.074 -5.272 -1.323 437 HA ASP 59 HA ASP 59 -6.836 -6.429 1.061 438 1HB ASP 59 2HB ASP 59 -7.747 -7.934 -1.375 439 2HB ASP 59 1HB ASP 59 -6.367 -8.505 -0.443 440 H ILE 60 H ILE 60 -5.036 -5.177 1.030 441 HA ILE 60 HA ILE 60 -3.476 -5.146 -1.471 442 HB ILE 60 HB ILE 60 -3.360 -3.137 0.773 443 1HG1 ILE 60 2HG1 ILE 60 -4.418 -2.554 -1.967 444 2HG1 ILE 60 1HG1 ILE 60 -5.474 -3.291 -0.765 445 1HG2 ILE 60 1HG2 ILE 60 -1.373 -2.666 -0.133 446 2HG2 ILE 60 2HG2 ILE 60 -2.287 -1.981 -1.477 447 3HG2 ILE 60 3HG2 ILE 60 -1.699 -3.640 -1.566 448 1HD1 ILE 60 1HD1 ILE 60 -3.988 -0.707 -0.370 449 2HD1 ILE 60 2HD1 ILE 60 -5.198 -1.417 0.698 450 3HD1 ILE 60 3HD1 ILE 60 -5.665 -0.834 -0.899 451 H GLU 61 H GLU 61 -1.295 -5.598 -1.410 452 HA GLU 61 HA GLU 61 -0.146 -6.389 1.170 453 1HB GLU 61 2HB GLU 61 0.888 -8.377 0.005 454 2HB GLU 61 1HB GLU 61 -0.848 -8.474 0.272 455 1HG GLU 61 2HG GLU 61 -1.125 -7.638 -2.097 456 2HG GLU 61 1HG GLU 61 0.603 -7.924 -2.297 457 H VAL 62 H VAL 62 1.024 -4.406 1.032 458 HA VAL 62 HA VAL 62 2.889 -4.048 -1.162 459 HB VAL 62 HB VAL 62 2.561 -2.435 1.375 460 1HG1 VAL 62 1HG1 VAL 62 4.499 -1.501 0.799 461 2HG1 VAL 62 2HG1 VAL 62 3.675 -0.840 -0.613 462 3HG1 VAL 62 3HG1 VAL 62 4.539 -2.373 -0.733 463 1HG2 VAL 62 1HG2 VAL 62 1.739 -1.325 -1.229 464 2HG2 VAL 62 2HG2 VAL 62 0.994 -1.165 0.362 465 3HG2 VAL 62 3HG2 VAL 62 0.729 -2.624 -0.594 466 H ASP 63 H ASP 63 4.823 -4.994 -1.185 467 HA ASP 63 HA ASP 63 6.071 -5.678 1.393 468 1HB ASP 63 2HB ASP 63 7.143 -7.578 0.275 469 2HB ASP 63 1HB ASP 63 5.388 -7.680 0.159 470 H LEU 64 H LEU 64 7.939 -4.725 1.829 471 HA LEU 64 HA LEU 64 9.486 -3.584 -0.405 472 1HB LEU 64 2HB LEU 64 9.494 -2.578 2.433 473 2HB LEU 64 1HB LEU 64 10.210 -1.814 1.030 474 HG LEU 64 HG LEU 64 8.267 -0.582 1.579 475 1HD1 LEU 64 1HD1 LEU 64 8.086 -2.302 -0.836 476 2HD1 LEU 64 2HD1 LEU 64 8.269 -0.554 -0.700 477 3HD1 LEU 64 3HD1 LEU 64 6.697 -1.300 -0.417 478 1HD2 LEU 64 1HD2 LEU 64 7.290 -2.628 2.849 479 2HD2 LEU 64 2HD2 LEU 64 6.473 -2.952 1.319 480 3HD2 LEU 64 3HD2 LEU 64 6.205 -1.423 2.156 481 H LEU 65 H LEU 65 11.559 -4.183 -0.613 482 HA LEU 65 HA LEU 65 13.524 -5.275 -0.270 483 1HB LEU 65 2HB LEU 65 12.864 -4.726 2.623 484 2HB LEU 65 1HB LEU 65 14.418 -5.293 2.044 485 HG LEU 65 HG LEU 65 14.568 -2.935 2.456 486 1HD1 LEU 65 1HD1 LEU 65 15.595 -3.982 0.358 487 2HD1 LEU 65 2HD1 LEU 65 15.479 -2.224 0.430 488 3HD1 LEU 65 3HD1 LEU 65 14.318 -3.147 -0.524 489 1HD2 LEU 65 1HD2 LEU 65 12.473 -2.331 0.415 490 2HD2 LEU 65 2HD2 LEU 65 13.080 -1.330 1.733 491 3HD2 LEU 65 3HD2 LEU 65 12.002 -2.682 2.077 492 H LYS 66 H LYS 66 14.512 -7.153 1.233 493 HA LYS 66 HA LYS 66 12.793 -9.083 2.315 494 1HB LYS 66 2HB LYS 66 12.470 -9.010 -0.395 495 2HB LYS 66 1HB LYS 66 13.720 -10.235 -0.232 496 1HG LYS 66 2HG LYS 66 11.189 -10.330 1.373 497 2HG LYS 66 1HG LYS 66 11.301 -11.015 -0.250 498 1HD LYS 66 2HD LYS 66 11.853 -12.862 0.970 499 2HD LYS 66 1HD LYS 66 13.459 -12.155 0.783 500 1HE LYS 66 2HE LYS 66 13.293 -12.702 3.061 501 2HE LYS 66 1HE LYS 66 13.018 -10.962 2.985 502 1HZ LYS 66 1HZ LYS 66 11.396 -11.877 4.423 503 2HZ LYS 66 2HZ LYS 66 10.986 -13.095 3.324 504 3HZ LYS 66 3HZ LYS 66 10.591 -11.485 2.988 505 1H SER 67 1HT SER 67 10.185 8.496 11.734 506 2H SER 67 2HT SER 67 11.644 9.392 11.627 507 3H SER 67 3HT SER 67 10.956 9.052 13.162 508 HA SER 67 HA SER 67 12.907 7.693 12.462 509 1HB SER 67 2HB SER 67 11.634 5.572 13.270 510 2HB SER 67 1HB SER 67 11.711 6.970 14.343 511 HG SER 67 HG SER 67 9.627 7.542 13.644 512 H ASN 68 H ASN 68 11.866 8.393 9.918 513 HA ASN 68 HA ASN 68 11.643 7.634 7.793 514 1HB ASN 68 2HB ASN 68 13.147 5.975 7.121 515 2HB ASN 68 1HB ASN 68 13.871 6.601 8.596 516 1HD2 ASN 68 1HD2 ASN 68 14.378 5.211 10.145 517 2HD2 ASN 68 2HD2 ASN 68 13.879 3.557 10.213 518 H PHE 69 H PHE 69 9.637 6.738 9.948 519 HA PHE 69 HA PHE 69 8.258 4.825 8.211 520 1HB PHE 69 2HB PHE 69 9.217 3.435 9.931 521 2HB PHE 69 1HB PHE 69 8.657 4.524 11.193 522 HD1 PHE 69 1HD PHE 69 6.366 4.507 11.928 523 HD2 PHE 69 2HD PHE 69 7.674 1.938 8.797 524 HE1 PHE 69 1HE PHE 69 4.289 3.205 12.134 525 HE2 PHE 69 2HE PHE 69 5.600 0.631 8.998 526 HZ PHE 69 HZ PHE 69 3.903 1.264 10.668 527 H LEU 70 H LEU 70 6.841 6.400 7.517 528 HA LEU 70 HA LEU 70 5.233 7.768 9.551 529 1HB LEU 70 2HB LEU 70 6.073 8.381 6.803 530 2HB LEU 70 1HB LEU 70 4.401 8.780 7.154 531 HG LEU 70 HG LEU 70 5.657 9.855 9.319 532 1HD1 LEU 70 1HD1 LEU 70 7.794 9.209 7.832 533 2HD1 LEU 70 2HD1 LEU 70 7.743 10.602 8.910 534 3HD1 LEU 70 3HD1 LEU 70 7.448 10.811 7.184 535 1HD2 LEU 70 1HD2 LEU 70 5.556 11.574 6.920 536 2HD2 LEU 70 2HD2 LEU 70 4.851 11.810 8.519 537 3HD2 LEU 70 3HD2 LEU 70 4.063 10.742 7.356 538 H ASN 71 H ASN 71 3.795 6.191 10.170 539 HA ASN 71 HA ASN 71 2.174 4.918 8.092 540 1HB ASN 71 2HB ASN 71 3.177 3.449 9.790 541 2HB ASN 71 1HB ASN 71 2.333 4.337 11.054 542 1HD2 ASN 71 1HD2 ASN 71 1.330 3.107 7.883 543 2HD2 ASN 71 2HD2 ASN 71 0.001 2.174 8.474 544 H CYS 72 H CYS 72 0.514 6.175 7.496 545 HA CYS 72 HA CYS 72 -0.825 7.903 9.384 546 1HB CYS 72 2HB CYS 72 -0.393 8.377 6.883 547 2HB CYS 72 1HB CYS 72 -1.770 7.323 6.586 548 HG CYS 72 HG CYS 72 -2.273 10.022 6.852 549 H TYR 73 H TYR 73 -1.334 5.928 10.721 550 HA TYR 73 HA TYR 73 -3.371 4.145 9.818 551 1HB TYR 73 2HB TYR 73 -3.520 3.721 12.416 552 2HB TYR 73 1HB TYR 73 -2.147 3.141 11.485 553 HD1 TYR 73 1HD TYR 73 -0.447 3.095 13.095 554 HD2 TYR 73 2HD TYR 73 -2.778 6.627 12.640 555 HE1 TYR 73 1HE TYR 73 1.084 4.293 14.599 556 HE2 TYR 73 2HE TYR 73 -1.254 7.833 14.143 557 HH TYR 73 HH TYR 73 0.363 7.416 15.854 558 H VAL 74 H VAL 74 -4.944 5.712 9.047 559 HA VAL 74 HA VAL 74 -6.597 6.755 11.260 560 HB VAL 74 HB VAL 74 -7.442 8.363 9.340 561 1HG1 VAL 74 1HG1 VAL 74 -4.812 8.972 10.661 562 2HG1 VAL 74 2HG1 VAL 74 -6.327 8.893 11.558 563 3HG1 VAL 74 3HG1 VAL 74 -6.127 10.081 10.270 564 1HG2 VAL 74 1HG2 VAL 74 -6.052 7.431 7.582 565 2HG2 VAL 74 2HG2 VAL 74 -4.599 7.774 8.520 566 3HG2 VAL 74 3HG2 VAL 74 -5.587 9.100 7.907 567 H SER 75 H SER 75 -7.757 4.775 11.266 568 HA SER 75 HA SER 75 -10.121 4.778 9.791 569 1HB SER 75 2HB SER 75 -9.514 3.858 7.832 570 2HB SER 75 1HB SER 75 -7.888 3.522 8.427 571 HG SER 75 HG SER 75 -8.611 1.534 8.178 572 H GLY 76 H GLY 76 -7.933 2.117 10.718 573 1HA GLY 76 2HA GLY 76 -9.046 1.565 13.211 574 2HA GLY 76 1HA GLY 76 -9.958 0.637 12.028 575 H PHE 77 H PHE 77 -8.157 -0.237 10.271 576 HA PHE 77 HA PHE 77 -6.578 -1.821 9.883 577 1HB PHE 77 2HB PHE 77 -5.319 0.055 11.421 578 2HB PHE 77 1HB PHE 77 -5.067 -1.401 12.377 579 HD1 PHE 77 1HD PHE 77 -2.758 -1.681 12.101 580 HD2 PHE 77 2HD PHE 77 -5.245 -1.224 8.676 581 HE1 PHE 77 1HE PHE 77 -0.873 -2.307 10.651 582 HE2 PHE 77 2HE PHE 77 -3.364 -1.855 7.222 583 HZ PHE 77 HZ PHE 77 -1.174 -2.395 8.209 584 H HIS 78 H HIS 78 -7.829 -3.622 10.091 585 HA HIS 78 HA HIS 78 -7.198 -5.382 12.240 586 1HB HIS 78 2HB HIS 78 -9.414 -3.736 12.700 587 2HB HIS 78 1HB HIS 78 -10.100 -5.282 12.206 588 HD1 HIS 78 1HD HIS 78 -6.917 -5.027 14.194 589 HD2 HIS 78 2HD HIS 78 -10.913 -6.027 14.749 590 HE1 HIS 78 1HE HIS 78 -7.044 -6.037 16.493 591 HE2 HIS 78 2HE HIS 78 -9.464 -6.674 16.793 592 HA PRO 79 HA PRO 79 -9.626 -7.667 8.905 593 1HB PRO 79 2HB PRO 79 -11.583 -6.447 7.518 594 2HB PRO 79 1HB PRO 79 -11.814 -6.973 9.187 595 1HG PRO 79 2HG PRO 79 -11.568 -4.257 8.110 596 2HG PRO 79 1HG PRO 79 -12.215 -4.790 9.668 597 1HD PRO 79 2HD PRO 79 -9.573 -3.748 9.045 598 2HD PRO 79 1HD PRO 79 -10.291 -4.088 10.631 599 H SER 80 H SER 80 -10.387 -7.386 6.291 600 HA SER 80 HA SER 80 -9.516 -7.181 4.190 601 1HB SER 80 2HB SER 80 -10.024 -4.943 4.033 602 2HB SER 80 1HB SER 80 -9.083 -4.521 5.462 603 HG SER 80 HG SER 80 -7.216 -4.655 4.237 604 H ASP 81 H ASP 81 -7.338 -6.603 2.965 605 HA ASP 81 HA ASP 81 -5.296 -8.139 4.337 606 1HB ASP 81 2HB ASP 81 -6.050 -8.075 1.733 607 2HB ASP 81 1HB ASP 81 -4.655 -7.000 1.692 608 H ILE 82 H ILE 82 -4.193 -7.080 5.779 609 HA ILE 82 HA ILE 82 -3.538 -4.910 6.729 610 HB ILE 82 HB ILE 82 -1.271 -6.372 5.387 611 1HG1 ILE 82 2HG1 ILE 82 -2.688 -7.809 6.802 612 2HG1 ILE 82 1HG1 ILE 82 -1.088 -7.585 7.502 613 1HG2 ILE 82 1HG2 ILE 82 -1.325 -4.017 7.060 614 2HG2 ILE 82 2HG2 ILE 82 0.023 -4.757 6.198 615 3HG2 ILE 82 3HG2 ILE 82 -0.404 -5.320 7.811 616 1HD1 ILE 82 1HD1 ILE 82 -1.955 -6.770 9.364 617 2HD1 ILE 82 2HD1 ILE 82 -3.548 -7.199 8.739 618 3HD1 ILE 82 3HD1 ILE 82 -2.901 -5.580 8.470 619 H GLU 83 H GLU 83 -1.744 -5.302 3.661 620 HA GLU 83 HA GLU 83 -1.659 -3.799 1.872 621 1HB GLU 83 2HB GLU 83 -2.648 -1.738 1.859 622 2HB GLU 83 1HB GLU 83 -3.570 -2.476 3.157 623 1HG GLU 83 2HG GLU 83 -3.053 -0.617 4.284 624 2HG GLU 83 1HG GLU 83 -1.489 -1.387 4.530 625 H VAL 84 H VAL 84 -0.376 -3.264 5.060 626 HA VAL 84 HA VAL 84 2.035 -2.056 3.874 627 HB VAL 84 HB VAL 84 1.096 -1.919 6.742 628 1HG1 VAL 84 1HG1 VAL 84 3.554 -0.970 5.344 629 2HG1 VAL 84 2HG1 VAL 84 3.376 -1.705 6.937 630 3HG1 VAL 84 3HG1 VAL 84 2.902 -0.026 6.684 631 1HG2 VAL 84 1HG2 VAL 84 0.580 -0.248 4.389 632 2HG2 VAL 84 2HG2 VAL 84 1.134 0.640 5.810 633 3HG2 VAL 84 3HG2 VAL 84 -0.306 -0.375 5.910 634 H ASP 85 H ASP 85 3.724 -3.358 3.698 635 HA ASP 85 HA ASP 85 4.461 -5.116 5.874 636 1HB ASP 85 2HB ASP 85 3.308 -6.110 3.343 637 2HB ASP 85 1HB ASP 85 4.799 -6.903 3.845 638 H LEU 86 H LEU 86 6.590 -4.916 6.146 639 HA LEU 86 HA LEU 86 8.276 -4.516 3.779 640 1HB LEU 86 2HB LEU 86 9.627 -3.010 5.575 641 2HB LEU 86 1HB LEU 86 8.532 -2.370 4.369 642 HG LEU 86 HG LEU 86 8.290 -1.456 6.712 643 1HD1 LEU 86 1HD1 LEU 86 5.766 -2.724 5.696 644 2HD1 LEU 86 2HD1 LEU 86 6.551 -1.377 4.874 645 3HD1 LEU 86 3HD1 LEU 86 5.965 -1.184 6.525 646 1HD2 LEU 86 1HD2 LEU 86 8.204 -4.150 7.400 647 2HD2 LEU 86 2HD2 LEU 86 6.551 -3.573 7.613 648 3HD2 LEU 86 3HD2 LEU 86 7.879 -2.771 8.450 649 H LEU 87 H LEU 87 10.695 -4.612 4.516 650 HA LEU 87 HA LEU 87 11.426 -7.131 5.095 651 1HB LEU 87 2HB LEU 87 13.585 -6.266 5.896 652 2HB LEU 87 1HB LEU 87 13.036 -5.470 4.435 653 HG LEU 87 HG LEU 87 12.055 -3.810 6.390 654 1HD1 LEU 87 1HD1 LEU 87 13.370 -3.699 8.211 655 2HD1 LEU 87 2HD1 LEU 87 14.829 -4.125 7.316 656 3HD1 LEU 87 3HD1 LEU 87 13.708 -5.387 7.826 657 1HD2 LEU 87 1HD2 LEU 87 13.325 -3.330 4.243 658 2HD2 LEU 87 2HD2 LEU 87 14.798 -3.506 5.198 659 3HD2 LEU 87 3HD2 LEU 87 13.628 -2.249 5.603 660 H LYS 88 H LYS 88 10.674 -8.407 6.657 661 HA LYS 88 HA LYS 88 9.822 -7.575 9.197 662 1HB LYS 88 2HB LYS 88 10.821 -10.344 8.539 663 2HB LYS 88 1HB LYS 88 9.617 -9.887 9.736 664 1HG LYS 88 2HG LYS 88 8.120 -10.463 8.192 665 2HG LYS 88 1HG LYS 88 8.523 -8.927 7.421 666 1HD LYS 88 2HD LYS 88 10.455 -10.363 6.347 667 2HD LYS 88 1HD LYS 88 9.355 -11.697 6.702 668 1HE LYS 88 2HE LYS 88 8.544 -11.179 4.655 669 2HE LYS 88 1HE LYS 88 7.625 -9.989 5.577 670 1HZ LYS 88 1HZ LYS 88 10.268 -9.175 4.661 671 2HZ LYS 88 2HZ LYS 88 8.833 -8.285 4.754 672 3HZ LYS 88 3HZ LYS 88 9.081 -9.355 3.468
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