NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503874 | 2co8 | 10247 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -16.959 10.253 -26.238 2 HA2 GLY 1 1HA GLY 1 -19.063 11.562 -27.840 3 HA3 GLY 1 2HA GLY 1 -18.288 12.406 -26.508 4 H SER 2 H SER 2 -18.204 13.626 -28.877 5 HA SER 2 HA SER 2 -15.398 13.290 -29.693 6 HB2 SER 2 1HB SER 2 -17.840 13.421 -31.416 7 HB3 SER 2 2HB SER 2 -16.346 14.147 -32.009 8 HG SER 2 HG SER 2 -16.340 12.038 -32.671 9 H SER 3 H SER 3 -14.338 15.058 -29.117 10 HA SER 3 HA SER 3 -15.253 17.661 -29.922 11 HB2 SER 3 1HB SER 3 -16.464 17.262 -27.752 12 HB3 SER 3 2HB SER 3 -14.892 17.169 -26.958 13 HG SER 3 HG SER 3 -14.521 19.290 -27.449 14 H GLY 4 H GLY 4 -13.645 19.347 -29.482 15 HA2 GLY 4 1HA GLY 4 -10.945 18.176 -29.428 16 HA3 GLY 4 2HA GLY 4 -11.375 19.707 -30.175 17 H SER 5 H SER 5 -10.834 18.062 -27.116 18 HA SER 5 HA SER 5 -10.143 20.656 -25.929 19 HB2 SER 5 1HB SER 5 -12.426 20.043 -25.177 20 HB3 SER 5 2HB SER 5 -11.788 18.533 -24.529 21 HG SER 5 HG SER 5 -12.014 20.587 -23.142 22 H SER 6 H SER 6 -8.013 20.450 -25.649 23 HA SER 6 HA SER 6 -7.035 18.372 -23.884 24 HB2 SER 6 1HB SER 6 -5.863 18.687 -26.658 25 HB3 SER 6 2HB SER 6 -5.279 17.601 -25.397 26 HG SER 6 HG SER 6 -7.870 17.499 -26.554 27 H GLY 7 H GLY 7 -6.081 19.605 -22.396 28 HA2 GLY 7 1HA GLY 7 -3.683 20.897 -22.721 29 HA3 GLY 7 2HA GLY 7 -4.893 22.138 -23.010 30 H GLN 8 H GLN 8 -4.046 19.613 -20.648 31 HA GLN 8 HA GLN 8 -5.124 21.348 -18.533 32 HB2 GLN 8 1HB GLN 8 -6.132 19.107 -18.680 33 HB3 GLN 8 2HB GLN 8 -4.544 18.382 -18.466 34 HG2 GLN 8 1HG GLN 8 -4.412 19.014 -16.239 35 HG3 GLN 8 2HG GLN 8 -5.645 20.261 -16.420 36 HE21 GLN 8 1HE2 GLN 8 -6.572 19.267 -14.513 37 HE22 GLN 8 2HE2 GLN 8 -7.592 17.884 -14.691 38 H HIS 9 H HIS 9 -3.937 21.576 -16.564 39 HA HIS 9 HA HIS 9 -1.045 21.092 -16.861 40 HB2 HIS 9 1HB HIS 9 -2.467 23.509 -15.743 41 HB3 HIS 9 2HB HIS 9 -0.753 23.198 -15.481 42 HD1 HIS 9 1HD HIS 9 -3.099 23.486 -18.471 43 HD2 HIS 9 2HD HIS 9 0.796 24.389 -17.341 44 HE1 HIS 9 1HE HIS 9 -2.089 24.682 -20.439 45 H GLN 10 H GLN 10 -0.665 19.414 -15.539 46 HA GLN 10 HA GLN 10 -1.207 19.774 -12.703 47 HB2 GLN 10 1HB GLN 10 -2.288 17.680 -12.387 48 HB3 GLN 10 2HB GLN 10 -3.134 18.488 -13.700 49 HG2 GLN 10 1HG GLN 10 -1.497 17.124 -15.206 50 HG3 GLN 10 2HG GLN 10 -1.352 16.104 -13.776 51 HE21 GLN 10 1HE2 GLN 10 -3.060 14.843 -13.149 52 HE22 GLN 10 2HE2 GLN 10 -4.475 14.619 -14.113 53 H GLU 11 H GLU 11 -0.156 17.924 -11.425 54 HA GLU 11 HA GLU 11 2.080 16.638 -12.732 55 HB2 GLU 11 1HB GLU 11 3.783 17.656 -11.284 56 HB3 GLU 11 2HB GLU 11 3.006 18.853 -12.310 57 HG2 GLU 11 1HG GLU 11 2.012 18.391 -9.534 58 HG3 GLU 11 2HG GLU 11 3.443 19.381 -9.814 59 H ALA 12 H ALA 12 3.420 15.407 -11.057 60 HA ALA 12 HA ALA 12 1.683 14.487 -8.862 61 HB1 ALA 12 1HB ALA 12 2.072 12.257 -9.332 62 HB2 ALA 12 2HB ALA 12 1.924 12.960 -10.944 63 HB3 ALA 12 3HB ALA 12 3.518 12.601 -10.281 64 H GLY 13 H GLY 13 5.038 14.341 -10.078 65 HA2 GLY 13 1HA GLY 13 6.830 15.302 -8.757 66 HA3 GLY 13 2HA GLY 13 5.938 14.844 -7.313 67 H ALA 14 H ALA 14 8.344 14.068 -7.063 68 HA ALA 14 HA ALA 14 9.261 11.776 -8.363 69 HB1 ALA 14 1HB ALA 14 10.682 13.160 -6.942 70 HB2 ALA 14 2HB ALA 14 9.783 12.632 -5.519 71 HB3 ALA 14 3HB ALA 14 10.735 11.469 -6.441 72 H GLY 15 H GLY 15 9.428 9.574 -7.520 73 HA2 GLY 15 1HA GLY 15 6.844 8.655 -6.588 74 HA3 GLY 15 2HA GLY 15 8.185 7.648 -7.111 75 H ASP 16 H ASP 16 7.806 10.082 -4.536 76 HA ASP 16 HA ASP 16 8.602 8.011 -2.600 77 HB2 ASP 16 1HB ASP 16 9.472 10.909 -2.549 78 HB3 ASP 16 2HB ASP 16 9.924 9.663 -1.388 79 H LEU 17 H LEU 17 5.987 8.385 -2.999 80 HA LEU 17 HA LEU 17 5.156 9.844 -0.588 81 HB2 LEU 17 1HB LEU 17 3.414 9.765 -3.019 82 HB3 LEU 17 2HB LEU 17 3.335 10.850 -1.632 83 HG LEU 17 HG LEU 17 5.710 10.994 -3.428 84 HD11 LEU 17 1HD1 LEU 17 4.088 12.874 -4.507 85 HD12 LEU 17 2HD1 LEU 17 2.939 11.569 -4.213 86 HD13 LEU 17 3HD1 LEU 17 4.368 11.278 -5.205 87 HD21 LEU 17 1HD2 LEU 17 4.491 12.532 -1.310 88 HD22 LEU 17 2HD2 LEU 17 4.744 13.515 -2.753 89 HD23 LEU 17 3HD2 LEU 17 6.102 12.665 -2.014 90 H CYS 18 H CYS 18 3.751 8.785 0.701 91 HA CYS 18 HA CYS 18 3.439 6.103 0.735 92 HB2 CYS 18 1HB CYS 18 2.726 7.473 2.597 93 HB3 CYS 18 2HB CYS 18 1.425 8.169 1.637 94 H ALA 19 H ALA 19 1.525 4.719 0.356 95 HA ALA 19 HA ALA 19 0.381 5.310 -2.280 96 HB1 ALA 19 1HB ALA 19 0.041 2.627 -1.088 97 HB2 ALA 19 2HB ALA 19 0.431 3.095 -2.743 98 HB3 ALA 19 3HB ALA 19 1.686 3.106 -1.504 99 H LEU 20 H LEU 20 -0.498 4.431 1.014 100 HA LEU 20 HA LEU 20 -3.210 3.925 0.668 101 HB2 LEU 20 1HB LEU 20 -1.495 4.816 2.909 102 HB3 LEU 20 2HB LEU 20 -3.230 5.069 3.089 103 HG LEU 20 HG LEU 20 -3.281 2.501 2.390 104 HD11 LEU 20 1HD1 LEU 20 -1.224 1.678 3.951 105 HD12 LEU 20 2HD1 LEU 20 -0.493 3.050 3.120 106 HD13 LEU 20 3HD1 LEU 20 -1.187 1.724 2.189 107 HD21 LEU 20 1HD2 LEU 20 -3.417 3.996 4.813 108 HD22 LEU 20 2HD2 LEU 20 -2.619 2.457 5.136 109 HD23 LEU 20 3HD2 LEU 20 -4.221 2.481 4.398 110 H CYS 21 H CYS 21 -1.743 7.004 1.723 111 HA CYS 21 HA CYS 21 -4.182 8.393 0.882 112 HB2 CYS 21 1HB CYS 21 -3.128 10.345 2.104 113 HB3 CYS 21 2HB CYS 21 -3.554 8.961 3.106 114 H GLY 22 H GLY 22 -0.643 8.743 0.603 115 HA2 GLY 22 1HA GLY 22 0.345 9.072 -1.589 116 HA3 GLY 22 2HA GLY 22 -1.091 9.980 -2.038 117 H GLU 23 H GLU 23 0.717 10.296 0.974 118 HA GLU 23 HA GLU 23 1.238 13.098 0.264 119 HB2 GLU 23 1HB GLU 23 1.274 11.779 2.984 120 HB3 GLU 23 2HB GLU 23 1.481 13.496 2.665 121 HG2 GLU 23 1HG GLU 23 -0.793 13.605 1.778 122 HG3 GLU 23 2HG GLU 23 -1.000 11.886 2.107 123 H HIS 24 H HIS 24 3.267 13.929 1.593 124 HA HIS 24 HA HIS 24 5.528 12.752 0.388 125 HB2 HIS 24 1HB HIS 24 5.092 15.183 1.343 126 HB3 HIS 24 2HB HIS 24 5.834 14.504 2.788 127 HD1 HIS 24 1HD HIS 24 8.272 13.286 2.230 128 HD2 HIS 24 2HD HIS 24 6.896 16.207 -0.385 129 HE1 HIS 24 1HE HIS 24 10.297 14.051 0.951 130 H LEU 25 H LEU 25 7.227 11.560 1.250 131 HA LEU 25 HA LEU 25 6.637 10.225 3.810 132 HB2 LEU 25 1HB LEU 25 7.971 9.177 1.324 133 HB3 LEU 25 2HB LEU 25 8.007 8.333 2.871 134 HG LEU 25 HG LEU 25 5.396 9.053 1.590 135 HD11 LEU 25 1HD1 LEU 25 5.586 6.551 0.798 136 HD12 LEU 25 2HD1 LEU 25 7.309 6.924 0.780 137 HD13 LEU 25 3HD1 LEU 25 6.191 7.874 -0.199 138 HD21 LEU 25 1HD2 LEU 25 6.204 7.753 3.958 139 HD22 LEU 25 2HD2 LEU 25 5.517 6.519 2.902 140 HD23 LEU 25 3HD2 LEU 25 4.569 7.945 3.324 141 H TYR 26 H TYR 26 8.322 9.849 5.248 142 HA TYR 26 HA TYR 26 10.660 11.566 4.839 143 HB2 TYR 26 1HB TYR 26 9.120 11.675 6.917 144 HB3 TYR 26 2HB TYR 26 9.947 10.207 7.426 145 HD1 TYR 26 1HD TYR 26 11.161 13.353 5.811 146 HD2 TYR 26 2HD TYR 26 11.408 10.715 9.140 147 HE1 TYR 26 1HE TYR 26 12.986 14.712 6.745 148 HE2 TYR 26 2HE TYR 26 13.233 12.067 10.083 149 HH TYR 26 HH TYR 26 13.894 15.074 9.290 150 H VAL 27 H VAL 27 12.701 10.704 5.993 151 HA VAL 27 HA VAL 27 13.407 8.235 4.709 152 HB VAL 27 HB VAL 27 15.639 8.605 5.776 153 HG11 VAL 27 1HG1 VAL 27 14.775 9.615 3.554 154 HG12 VAL 27 2HG1 VAL 27 14.783 11.142 4.438 155 HG13 VAL 27 3HG1 VAL 27 16.278 10.225 4.246 156 HG21 VAL 27 1HG2 VAL 27 15.686 9.855 7.621 157 HG22 VAL 27 2HG2 VAL 27 15.503 11.258 6.568 158 HG23 VAL 27 3HG2 VAL 27 14.082 10.515 7.302 159 H LEU 28 H LEU 28 12.277 9.148 7.817 160 HA LEU 28 HA LEU 28 12.943 6.473 8.858 161 HB2 LEU 28 1HB LEU 28 12.448 8.973 10.464 162 HB3 LEU 28 2HB LEU 28 12.937 7.399 11.086 163 HG LEU 28 HG LEU 28 14.676 8.948 9.190 164 HD11 LEU 28 1HD1 LEU 28 14.455 10.513 10.900 165 HD12 LEU 28 2HD1 LEU 28 15.899 9.604 11.348 166 HD13 LEU 28 3HD1 LEU 28 14.364 9.274 12.153 167 HD21 LEU 28 1HD2 LEU 28 16.433 7.594 10.134 168 HD22 LEU 28 2HD2 LEU 28 15.127 6.546 9.578 169 HD23 LEU 28 3HD2 LEU 28 15.313 6.888 11.299 170 H GLU 29 H GLU 29 10.539 7.828 7.397 171 HA GLU 29 HA GLU 29 8.497 6.739 9.220 172 HB2 GLU 29 1HB GLU 29 8.257 9.129 7.384 173 HB3 GLU 29 2HB GLU 29 6.914 8.404 8.257 174 HG2 GLU 29 1HG GLU 29 9.343 9.400 9.694 175 HG3 GLU 29 2HG GLU 29 8.030 10.485 9.243 176 H ARG 30 H ARG 30 9.826 6.880 6.047 177 HA ARG 30 HA ARG 30 7.599 5.719 4.678 178 HB2 ARG 30 1HB ARG 30 9.012 5.621 2.773 179 HB3 ARG 30 2HB ARG 30 9.433 7.103 3.620 180 HG2 ARG 30 1HG ARG 30 11.371 5.965 4.613 181 HG3 ARG 30 2HG ARG 30 10.958 4.509 3.706 182 HD2 ARG 30 1HD ARG 30 11.026 6.167 1.663 183 HD3 ARG 30 2HD ARG 30 12.053 7.107 2.745 184 HE ARG 30 HE ARG 30 12.793 4.778 1.324 185 HH11 ARG 30 2HH1 ARG 30 13.218 6.355 4.398 186 HH12 ARG 30 1HH1 ARG 30 14.767 5.641 4.698 187 HH21 ARG 30 2HH2 ARG 30 14.832 3.831 1.707 188 HH22 ARG 30 1HH2 ARG 30 15.685 4.206 3.166 189 H LEU 31 H LEU 31 7.279 3.605 4.043 190 HA LEU 31 HA LEU 31 8.981 1.604 5.380 191 HB2 LEU 31 1HB LEU 31 6.047 1.883 5.140 192 HB3 LEU 31 2HB LEU 31 6.697 0.251 4.995 193 HG LEU 31 HG LEU 31 7.929 0.947 7.242 194 HD11 LEU 31 1HD1 LEU 31 6.430 2.293 8.646 195 HD12 LEU 31 2HD1 LEU 31 5.426 2.627 7.236 196 HD13 LEU 31 3HD1 LEU 31 7.086 3.217 7.295 197 HD21 LEU 31 1HD2 LEU 31 5.042 0.257 7.517 198 HD22 LEU 31 2HD2 LEU 31 6.449 -0.429 8.329 199 HD23 LEU 31 3HD2 LEU 31 6.110 -0.847 6.649 200 H CYS 32 H CYS 32 10.291 0.827 3.839 201 HA CYS 32 HA CYS 32 9.582 0.619 1.098 202 HB2 CYS 32 1HB CYS 32 11.704 -0.699 0.915 203 HB3 CYS 32 2HB CYS 32 11.899 0.871 1.684 204 HG CYS 32 HG CYS 32 13.048 -0.018 3.791 205 H VAL 33 H VAL 33 7.798 -0.628 0.744 206 HA VAL 33 HA VAL 33 8.035 -3.477 1.469 207 HB VAL 33 HB VAL 33 5.509 -1.828 1.305 208 HG11 VAL 33 1HG1 VAL 33 4.434 -3.961 2.114 209 HG12 VAL 33 2HG1 VAL 33 4.985 -3.971 0.438 210 HG13 VAL 33 3HG1 VAL 33 5.933 -4.783 1.684 211 HG21 VAL 33 1HG2 VAL 33 6.590 -1.390 3.367 212 HG22 VAL 33 2HG2 VAL 33 5.315 -2.557 3.715 213 HG23 VAL 33 3HG2 VAL 33 6.992 -3.091 3.600 214 H ASN 34 H ASN 34 8.749 -4.340 -0.409 215 HA ASN 34 HA ASN 34 8.710 -5.114 -2.547 216 HB2 ASN 34 1HB ASN 34 5.833 -4.176 -2.574 217 HB3 ASN 34 2HB ASN 34 6.564 -5.360 -3.654 218 HD21 ASN 34 1HD2 ASN 34 6.384 -7.418 -3.126 219 HD22 ASN 34 2HD2 ASN 34 5.950 -8.028 -1.569 220 H GLY 35 H GLY 35 9.450 -2.345 -1.972 221 HA2 GLY 35 1HA GLY 35 10.399 -0.820 -3.513 222 HA3 GLY 35 2HA GLY 35 9.222 -1.337 -4.712 223 H HIS 36 H HIS 36 6.973 -1.089 -2.843 224 HA HIS 36 HA HIS 36 6.503 1.738 -3.230 225 HB2 HIS 36 1HB HIS 36 4.675 -0.327 -1.992 226 HB3 HIS 36 2HB HIS 36 4.216 1.263 -2.593 227 HD1 HIS 36 1HD HIS 36 5.115 1.452 -5.337 228 HD2 HIS 36 2HD HIS 36 3.906 -2.199 -3.764 229 HE1 HIS 36 1HE HIS 36 4.511 0.031 -7.323 230 H PHE 37 H PHE 37 6.018 3.237 -1.617 231 HA PHE 37 HA PHE 37 7.027 2.509 1.047 232 HB2 PHE 37 1HB PHE 37 6.891 5.170 -0.376 233 HB3 PHE 37 2HB PHE 37 7.313 5.005 1.325 234 HD1 PHE 37 2HD PHE 37 9.267 3.331 1.828 235 HD2 PHE 37 1HD PHE 37 8.570 5.175 -1.944 236 HE1 PHE 37 2HE PHE 37 11.617 2.944 1.208 237 HE2 PHE 37 1HE PHE 37 10.919 4.791 -2.570 238 HZ PHE 37 HZ PHE 37 12.446 3.675 -0.993 239 H PHE 38 H PHE 38 5.881 3.033 2.893 240 HA PHE 38 HA PHE 38 3.231 4.233 2.564 241 HB2 PHE 38 1HB PHE 38 3.694 1.646 4.061 242 HB3 PHE 38 2HB PHE 38 2.156 2.478 3.855 243 HD1 PHE 38 1HD PHE 38 4.810 0.623 2.085 244 HD2 PHE 38 2HD PHE 38 0.848 2.169 1.918 245 HE1 PHE 38 1HE PHE 38 4.400 -0.661 0.026 246 HE2 PHE 38 2HE PHE 38 0.431 0.887 -0.140 247 HZ PHE 38 HZ PHE 38 2.207 -0.531 -1.088 248 H HIS 39 H HIS 39 2.322 5.070 4.516 249 HA HIS 39 HA HIS 39 4.301 6.159 6.280 250 HB2 HIS 39 1HB HIS 39 1.287 6.360 6.231 251 HB3 HIS 39 2HB HIS 39 2.295 7.196 7.409 252 HD2 HIS 39 2HD HIS 39 4.402 8.792 5.830 253 HE1 HIS 39 1HE HIS 39 1.390 9.813 3.022 254 HE2 HIS 39 2HE HIS 39 3.717 10.308 3.849 255 H ARG 40 H ARG 40 4.691 5.695 8.405 256 HA ARG 40 HA ARG 40 4.444 3.118 9.338 257 HB2 ARG 40 1HB ARG 40 4.933 5.746 10.675 258 HB3 ARG 40 2HB ARG 40 4.669 4.322 11.674 259 HG2 ARG 40 1HG ARG 40 6.657 4.138 9.476 260 HG3 ARG 40 2HG ARG 40 7.081 5.065 10.917 261 HD2 ARG 40 1HD ARG 40 6.538 3.109 12.308 262 HD3 ARG 40 2HD ARG 40 6.172 2.189 10.849 263 HE ARG 40 HE ARG 40 8.429 1.974 10.442 264 HH11 ARG 40 2HH1 ARG 40 7.897 4.273 13.002 265 HH12 ARG 40 1HH1 ARG 40 9.568 4.355 13.452 266 HH21 ARG 40 2HH2 ARG 40 10.632 2.074 11.025 267 HH22 ARG 40 1HH2 ARG 40 11.123 3.104 12.327 268 H SER 41 H SER 41 2.143 5.722 9.497 269 HA SER 41 HA SER 41 0.450 4.372 11.420 270 HB2 SER 41 1HB SER 41 0.160 6.934 9.848 271 HB3 SER 41 2HB SER 41 -1.124 6.303 10.879 272 HG SER 41 HG SER 41 1.379 6.444 12.045 273 H CYS 42 H CYS 42 0.166 5.359 8.007 274 HA CYS 42 HA CYS 42 -2.282 4.242 7.419 275 HB2 CYS 42 1HB CYS 42 0.175 4.790 5.810 276 HB3 CYS 42 2HB CYS 42 -1.121 3.853 5.071 277 H PHE 43 H PHE 43 0.890 2.681 6.937 278 HA PHE 43 HA PHE 43 0.056 0.210 6.087 279 HB2 PHE 43 1HB PHE 43 2.453 1.165 6.485 280 HB3 PHE 43 2HB PHE 43 2.301 0.407 8.067 281 HD1 PHE 43 2HD PHE 43 1.699 -0.458 4.485 282 HD2 PHE 43 1HD PHE 43 3.160 -1.702 8.284 283 HE1 PHE 43 2HE PHE 43 2.385 -2.612 3.512 284 HE2 PHE 43 1HE PHE 43 3.850 -3.857 7.317 285 HZ PHE 43 HZ PHE 43 3.461 -4.315 4.929 286 H ARG 44 H ARG 44 -1.665 -0.781 6.985 287 HA ARG 44 HA ARG 44 -1.344 -1.832 9.677 288 HB2 ARG 44 1HB ARG 44 -3.616 -0.040 8.842 289 HB3 ARG 44 2HB ARG 44 -3.779 -1.189 10.164 290 HG2 ARG 44 1HG ARG 44 -2.168 -0.081 11.467 291 HG3 ARG 44 2HG ARG 44 -1.591 0.863 10.092 292 HD2 ARG 44 1HD ARG 44 -3.847 1.943 9.998 293 HD3 ARG 44 2HD ARG 44 -4.241 1.115 11.504 294 HE ARG 44 HE ARG 44 -1.829 2.681 11.622 295 HH11 ARG 44 2HH1 ARG 44 -5.290 2.698 11.996 296 HH12 ARG 44 1HH1 ARG 44 -5.300 4.074 13.049 297 HH21 ARG 44 2HH2 ARG 44 -1.829 4.492 13.009 298 HH22 ARG 44 1HH2 ARG 44 -3.331 5.093 13.625 299 H CYS 45 H CYS 45 -3.296 -3.328 10.178 300 HA CYS 45 HA CYS 45 -3.358 -5.337 8.210 301 HB2 CYS 45 1HB CYS 45 -3.679 -5.652 10.693 302 HB3 CYS 45 2HB CYS 45 -5.312 -5.023 10.493 303 H HIS 46 H HIS 46 -5.426 -6.289 7.337 304 HA HIS 46 HA HIS 46 -7.028 -4.125 6.170 305 HB2 HIS 46 1HB HIS 46 -6.045 -5.413 4.453 306 HB3 HIS 46 2HB HIS 46 -6.404 -6.931 5.271 307 HD1 HIS 46 1HD HIS 46 -7.728 -4.586 2.795 308 HD2 HIS 46 2HD HIS 46 -9.215 -7.646 5.180 309 HE1 HIS 46 1HE HIS 46 -9.960 -5.187 1.804 310 H THR 47 H THR 47 -7.191 -6.402 8.584 311 HA THR 47 HA THR 47 -10.133 -6.516 8.421 312 HB THR 47 HB THR 47 -8.181 -8.550 9.484 313 HG1 THR 47 1HG THR 47 -10.297 -8.598 7.577 314 HG21 THR 47 1HG2 THR 47 -11.171 -8.528 9.910 315 HG22 THR 47 2HG2 THR 47 -9.968 -8.200 11.157 316 HG23 THR 47 3HG2 THR 47 -10.049 -9.794 10.406 317 H CYS 48 H CYS 48 -7.332 -5.904 10.414 318 HA CYS 48 HA CYS 48 -9.120 -4.911 12.536 319 HB2 CYS 48 1HB CYS 48 -7.425 -5.518 14.186 320 HB3 CYS 48 2HB CYS 48 -7.912 -6.934 13.260 321 H GLU 49 H GLU 49 -7.104 -3.989 10.149 322 HA GLU 49 HA GLU 49 -5.686 -2.220 9.769 323 HB2 GLU 49 1HB GLU 49 -6.699 -0.050 10.479 324 HB3 GLU 49 2HB GLU 49 -7.813 -1.119 9.639 325 HG2 GLU 49 1HG GLU 49 -8.713 -1.829 11.834 326 HG3 GLU 49 2HG GLU 49 -7.670 -0.635 12.605 327 H ALA 50 H ALA 50 -4.627 -3.730 11.794 328 HA ALA 50 HA ALA 50 -3.875 -1.889 13.935 329 HB1 ALA 50 1HB ALA 50 -2.980 -4.744 13.674 330 HB2 ALA 50 2HB ALA 50 -3.081 -3.748 15.127 331 HB3 ALA 50 3HB ALA 50 -4.555 -4.311 14.340 332 H THR 51 H THR 51 -1.957 -0.898 14.042 333 HA THR 51 HA THR 51 -0.275 -0.468 11.972 334 HB THR 51 HB THR 51 0.679 -0.696 14.832 335 HG1 THR 51 1HG THR 51 0.192 1.693 14.644 336 HG21 THR 51 1HG2 THR 51 2.393 0.847 14.220 337 HG22 THR 51 2HG2 THR 51 1.678 1.103 12.628 338 HG23 THR 51 3HG2 THR 51 2.413 -0.450 13.025 339 H LEU 52 H LEU 52 0.463 -2.052 10.672 340 HA LEU 52 HA LEU 52 1.442 -4.552 11.677 341 HB2 LEU 52 1HB LEU 52 1.647 -3.352 8.919 342 HB3 LEU 52 2HB LEU 52 1.999 -5.027 9.342 343 HG LEU 52 HG LEU 52 -0.714 -3.724 9.565 344 HD11 LEU 52 1HD1 LEU 52 0.612 -5.280 7.394 345 HD12 LEU 52 2HD1 LEU 52 -0.442 -3.871 7.287 346 HD13 LEU 52 3HD1 LEU 52 -1.123 -5.455 7.656 347 HD21 LEU 52 1HD2 LEU 52 -0.509 -6.634 9.458 348 HD22 LEU 52 2HD2 LEU 52 -1.458 -5.600 10.527 349 HD23 LEU 52 3HD2 LEU 52 0.238 -5.925 10.889 350 H TRP 53 H TRP 53 3.202 -4.221 12.983 351 HA TRP 53 HA TRP 53 5.360 -2.500 12.355 352 HB2 TRP 53 1HB TRP 53 5.676 -4.902 14.125 353 HB3 TRP 53 2HB TRP 53 6.381 -3.297 14.294 354 HD1 TRP 53 HD TRP 53 3.142 -5.229 14.967 355 HE1 TRP 53 1HE TRP 53 1.710 -3.876 16.623 356 HE3 TRP 53 3HE TRP 53 5.925 -0.944 15.134 357 HZ2 TRP 53 2HZ TRP 53 1.754 -1.329 17.839 358 HZ3 TRP 53 3HZ TRP 53 5.161 0.904 16.568 359 HH2 TRP 53 HH TRP 53 3.118 0.713 17.891 360 HA PRO 54 HA PRO 54 7.789 -4.845 9.550 361 HB2 PRO 54 1HB PRO 54 10.298 -4.120 10.291 362 HB3 PRO 54 2HB PRO 54 9.195 -3.032 9.438 363 HG2 PRO 54 1HG PRO 54 9.829 -3.178 12.360 364 HG3 PRO 54 2HG PRO 54 9.652 -1.750 11.324 365 HD2 PRO 54 1HD PRO 54 7.685 -2.602 12.978 366 HD3 PRO 54 2HD PRO 54 7.350 -1.804 11.428 367 H GLY 55 H GLY 55 7.072 -6.876 10.645 368 HA2 GLY 55 1HA GLY 55 8.826 -8.820 10.899 369 HA3 GLY 55 2HA GLY 55 9.051 -8.041 12.459 370 H GLY 56 H GLY 56 5.943 -7.457 11.915 371 HA2 GLY 56 1HA GLY 56 5.052 -10.067 12.973 372 HA3 GLY 56 2HA GLY 56 4.526 -8.551 13.691 373 H TYR 57 H TYR 57 4.857 -9.420 10.269 374 HA TYR 57 HA TYR 57 2.003 -9.623 9.914 375 HB2 TYR 57 1HB TYR 57 1.642 -7.709 8.597 376 HB3 TYR 57 2HB TYR 57 2.588 -7.122 9.960 377 HD1 TYR 57 2HD TYR 57 5.141 -6.935 9.607 378 HD2 TYR 57 1HD TYR 57 2.347 -7.283 6.417 379 HE1 TYR 57 2HE TYR 57 6.805 -6.000 8.056 380 HE2 TYR 57 1HE TYR 57 4.003 -6.350 4.857 381 HH TYR 57 HH TYR 57 7.035 -6.291 5.212 382 H GLU 58 H GLU 58 1.453 -9.959 7.566 383 HA GLU 58 HA GLU 58 3.653 -10.861 5.896 384 HB2 GLU 58 1HB GLU 58 1.728 -12.685 7.242 385 HB3 GLU 58 2HB GLU 58 2.141 -13.042 5.571 386 HG2 GLU 58 1HG GLU 58 4.338 -12.514 7.503 387 HG3 GLU 58 2HG GLU 58 3.504 -14.066 7.560 388 H GLN 59 H GLN 59 3.118 -11.045 3.707 389 HA GLN 59 HA GLN 59 0.563 -9.785 2.998 390 HB2 GLN 59 1HB GLN 59 2.538 -8.590 2.228 391 HB3 GLN 59 2HB GLN 59 3.134 -10.039 1.430 392 HG2 GLN 59 1HG GLN 59 0.979 -9.958 0.065 393 HG3 GLN 59 2HG GLN 59 0.801 -8.316 0.681 394 HE21 GLN 59 1HE2 GLN 59 0.995 -8.755 -1.996 395 HE22 GLN 59 2HE2 GLN 59 2.512 -8.173 -2.584 396 H HIS 60 H HIS 60 -0.850 -11.474 2.863 397 HA HIS 60 HA HIS 60 -0.436 -14.033 1.976 398 HB2 HIS 60 1HB HIS 60 -2.562 -13.019 2.953 399 HB3 HIS 60 2HB HIS 60 -2.943 -12.491 1.317 400 HD1 HIS 60 1HD HIS 60 -3.904 -14.207 -0.267 401 HD2 HIS 60 2HD HIS 60 -2.572 -15.864 3.304 402 HE1 HIS 60 1HE HIS 60 -4.724 -16.585 -0.281 403 HA PRO 61 HA PRO 61 0.612 -13.624 -2.297 404 HB2 PRO 61 1HB PRO 61 0.289 -16.227 -2.995 405 HB3 PRO 61 2HB PRO 61 1.674 -15.648 -2.063 406 HG2 PRO 61 1HG PRO 61 -0.822 -16.995 -1.106 407 HG3 PRO 61 2HG PRO 61 0.858 -17.269 -0.609 408 HD2 PRO 61 1HD PRO 61 -0.870 -15.785 0.854 409 HD3 PRO 61 2HD PRO 61 0.872 -15.445 0.799 410 H GLY 62 H GLY 62 -2.180 -15.738 -1.579 411 HA2 GLY 62 1HA GLY 62 -3.512 -15.860 -3.898 412 HA3 GLY 62 2HA GLY 62 -4.354 -15.569 -2.383 413 H ASP 63 H ASP 63 -4.989 -13.463 -1.839 414 HA ASP 63 HA ASP 63 -5.861 -11.862 -3.952 415 HB2 ASP 63 1HB ASP 63 -6.074 -10.090 -2.045 416 HB3 ASP 63 2HB ASP 63 -7.062 -11.547 -1.990 417 H GLY 64 H GLY 64 -3.316 -11.060 -1.574 418 HA2 GLY 64 1HA GLY 64 -1.133 -10.341 -2.475 419 HA3 GLY 64 2HA GLY 64 -2.032 -9.443 -3.689 420 H HIS 65 H HIS 65 -2.951 -9.593 -0.309 421 HA HIS 65 HA HIS 65 -2.283 -6.733 -0.077 422 HB2 HIS 65 1HB HIS 65 -4.609 -8.336 0.919 423 HB3 HIS 65 2HB HIS 65 -4.110 -6.895 1.800 424 HD1 HIS 65 1HD HIS 65 -4.172 -4.615 0.389 425 HD2 HIS 65 2HD HIS 65 -6.135 -7.864 -1.299 426 HE1 HIS 65 1HE HIS 65 -5.680 -3.647 -1.375 427 H PHE 66 H PHE 66 -2.460 -6.266 2.537 428 HA PHE 66 HA PHE 66 -0.472 -8.084 3.732 429 HB2 PHE 66 1HB PHE 66 -0.801 -5.099 4.090 430 HB3 PHE 66 2HB PHE 66 0.309 -6.094 5.026 431 HD1 PHE 66 1HD PHE 66 2.273 -7.096 3.969 432 HD2 PHE 66 2HD PHE 66 -0.325 -4.492 1.828 433 HE1 PHE 66 1HE PHE 66 3.995 -6.809 2.235 434 HE2 PHE 66 2HE PHE 66 1.392 -4.202 0.090 435 HZ PHE 66 HZ PHE 66 3.555 -5.361 0.292 436 H TYR 67 H TYR 67 -1.136 -9.162 5.458 437 HA TYR 67 HA TYR 67 -3.185 -7.953 7.187 438 HB2 TYR 67 1HB TYR 67 -3.111 -10.887 6.474 439 HB3 TYR 67 2HB TYR 67 -4.353 -10.039 7.389 440 HD1 TYR 67 2HD TYR 67 -2.851 -10.395 4.022 441 HD2 TYR 67 1HD TYR 67 -6.155 -8.971 6.294 442 HE1 TYR 67 2HE TYR 67 -4.104 -10.001 1.942 443 HE2 TYR 67 1HE TYR 67 -7.418 -8.574 4.220 444 HH TYR 67 HH TYR 67 -6.536 -9.842 1.261 445 H CYS 68 H CYS 68 -3.217 -8.797 9.376 446 HA CYS 68 HA CYS 68 -0.600 -9.050 10.455 447 HB2 CYS 68 1HB CYS 68 -1.698 -9.199 12.614 448 HB3 CYS 68 2HB CYS 68 -2.477 -7.950 11.647 449 H LEU 69 H LEU 69 -0.137 -10.823 12.126 450 HA LEU 69 HA LEU 69 -0.223 -13.343 10.741 451 HB2 LEU 69 1HB LEU 69 0.801 -12.908 13.528 452 HB3 LEU 69 2HB LEU 69 1.297 -14.126 12.355 453 HG LEU 69 HG LEU 69 1.971 -11.192 12.373 454 HD11 LEU 69 1HD1 LEU 69 3.919 -13.432 12.126 455 HD12 LEU 69 2HD1 LEU 69 3.229 -13.064 13.707 456 HD13 LEU 69 3HD1 LEU 69 4.126 -11.826 12.827 457 HD21 LEU 69 1HD2 LEU 69 3.096 -11.522 10.259 458 HD22 LEU 69 2HD2 LEU 69 1.385 -11.916 10.089 459 HD23 LEU 69 3HD2 LEU 69 2.581 -13.208 10.214 460 H GLN 70 H GLN 70 -2.625 -11.965 12.177 461 HA GLN 70 HA GLN 70 -3.538 -14.407 13.548 462 HB2 GLN 70 1HB GLN 70 -3.195 -12.622 15.174 463 HB3 GLN 70 2HB GLN 70 -4.209 -11.539 14.229 464 HG2 GLN 70 1HG GLN 70 -6.116 -13.070 14.607 465 HG3 GLN 70 2HG GLN 70 -5.083 -14.040 15.655 466 HE21 GLN 70 1HE2 GLN 70 -3.997 -12.757 17.429 467 HE22 GLN 70 2HE2 GLN 70 -4.976 -11.596 18.252 468 H HIS 71 H HIS 71 -4.038 -12.180 11.051 469 HA HIS 71 HA HIS 71 -6.759 -13.224 10.614 470 HB2 HIS 71 1HB HIS 71 -5.641 -10.469 10.180 471 HB3 HIS 71 2HB HIS 71 -7.029 -11.029 9.251 472 HD2 HIS 71 2HD HIS 71 -7.901 -12.594 12.369 473 HE1 HIS 71 1HE HIS 71 -9.033 -8.558 13.025 474 HE2 HIS 71 2HE HIS 71 -9.185 -10.925 13.872 475 H LEU 72 H LEU 72 -3.593 -12.858 9.411 476 HA LEU 72 HA LEU 72 -3.881 -12.816 6.672 477 HB2 LEU 72 1HB LEU 72 -1.731 -12.737 7.853 478 HB3 LEU 72 2HB LEU 72 -1.902 -14.442 8.263 479 HG LEU 72 HG LEU 72 -2.053 -14.642 5.605 480 HD11 LEU 72 1HD1 LEU 72 0.066 -12.607 5.664 481 HD12 LEU 72 2HD1 LEU 72 -1.580 -11.987 5.782 482 HD13 LEU 72 3HD1 LEU 72 -1.112 -12.989 4.409 483 HD21 LEU 72 1HD2 LEU 72 0.702 -14.305 6.632 484 HD22 LEU 72 2HD2 LEU 72 -0.027 -15.649 5.754 485 HD23 LEU 72 3HD2 LEU 72 -0.333 -15.453 7.480 486 HA PRO 73 HA PRO 73 -6.227 -16.564 6.033 487 HB2 PRO 73 1HB PRO 73 -6.457 -16.266 3.344 488 HB3 PRO 73 2HB PRO 73 -7.445 -15.364 4.499 489 HG2 PRO 73 1HG PRO 73 -4.986 -14.498 3.027 490 HG3 PRO 73 2HG PRO 73 -6.488 -13.602 3.320 491 HD2 PRO 73 1HD PRO 73 -4.245 -13.202 4.782 492 HD3 PRO 73 2HD PRO 73 -5.874 -13.025 5.465 493 H GLN 74 H GLN 74 -6.025 -18.155 3.903 494 HA GLN 74 HA GLN 74 -3.311 -18.659 3.121 495 HB2 GLN 74 1HB GLN 74 -4.564 -20.177 5.344 496 HB3 GLN 74 2HB GLN 74 -3.651 -21.104 4.162 497 HG2 GLN 74 1HG GLN 74 -2.669 -18.890 5.934 498 HG3 GLN 74 2HG GLN 74 -2.167 -20.579 5.919 499 HE21 GLN 74 1HE2 GLN 74 -0.902 -17.797 5.400 500 HE22 GLN 74 2HE2 GLN 74 0.058 -18.071 3.990 501 H THR 75 H THR 75 -3.307 -19.610 1.187 502 HA THR 75 HA THR 75 -5.354 -19.975 -0.473 503 HB THR 75 HB THR 75 -4.102 -21.690 -1.697 504 HG1 THR 75 1HG THR 75 -3.389 -22.874 0.178 505 HG21 THR 75 1HG2 THR 75 -3.169 -19.691 -2.276 506 HG22 THR 75 2HG2 THR 75 -1.765 -20.420 -1.497 507 HG23 THR 75 3HG2 THR 75 -2.768 -19.271 -0.612 508 H ASP 76 H ASP 76 -6.992 -21.372 -0.892 509 HA ASP 76 HA ASP 76 -7.518 -23.411 1.141 510 HB2 ASP 76 1HB ASP 76 -9.823 -23.366 0.347 511 HB3 ASP 76 2HB ASP 76 -9.273 -21.730 0.699 512 H SER 77 H SER 77 -7.398 -25.522 0.726 513 HA SER 77 HA SER 77 -7.723 -26.547 -1.963 514 HB2 SER 77 1HB SER 77 -5.131 -27.054 -0.487 515 HB3 SER 77 2HB SER 77 -5.565 -27.628 -2.097 516 HG SER 77 HG SER 77 -4.268 -25.808 -2.290 517 H GLY 78 H GLY 78 -7.971 -28.846 -2.037 518 HA2 GLY 78 1HA GLY 78 -9.585 -30.026 -0.249 519 HA3 GLY 78 2HA GLY 78 -8.402 -30.953 -1.161 520 HA PRO 79 HA PRO 79 -7.185 -30.230 3.506 521 HB2 PRO 79 1HB PRO 79 -9.156 -31.329 5.015 522 HB3 PRO 79 2HB PRO 79 -9.111 -29.612 4.597 523 HG2 PRO 79 1HG PRO 79 -10.688 -31.827 3.343 524 HG3 PRO 79 2HG PRO 79 -11.202 -30.180 3.754 525 HD2 PRO 79 1HD PRO 79 -10.529 -30.911 1.235 526 HD3 PRO 79 2HD PRO 79 -10.245 -29.275 1.863 527 H SER 80 H SER 80 -9.154 -32.930 2.301 528 HA SER 80 HA SER 80 -8.951 -35.202 2.680 529 HB2 SER 80 1HB SER 80 -6.357 -34.237 1.507 530 HB3 SER 80 2HB SER 80 -6.606 -35.951 1.837 531 HG SER 80 HG SER 80 -8.706 -35.466 0.602 532 H SER 81 H SER 81 -8.650 -33.873 5.113 533 HA SER 81 HA SER 81 -6.337 -35.097 6.415 534 HB2 SER 81 1HB SER 81 -8.415 -33.233 7.587 535 HB3 SER 81 2HB SER 81 -6.890 -33.710 8.333 536 HG SER 81 HG SER 81 -6.337 -31.861 7.406 537 H GLY 82 H GLY 82 -6.493 -36.585 8.078 538 HA2 GLY 82 1HA GLY 82 -9.086 -37.973 8.227 539 HA3 GLY 82 2HA GLY 82 -7.522 -38.707 8.546 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -12.946 25.768 -44.916 2 HA2 GLY 1 1HA GLY 1 -12.530 27.273 -42.984 3 HA3 GLY 1 2HA GLY 1 -14.265 27.550 -42.961 4 H SER 2 H SER 2 -14.787 26.762 -40.989 5 HA SER 2 HA SER 2 -15.219 25.257 -39.339 6 HB2 SER 2 1HB SER 2 -15.076 23.502 -41.771 7 HB3 SER 2 2HB SER 2 -15.288 22.783 -40.175 8 HG SER 2 HG SER 2 -17.288 23.401 -40.210 9 H SER 3 H SER 3 -12.625 26.172 -39.404 10 HA SER 3 HA SER 3 -10.871 23.870 -39.071 11 HB2 SER 3 1HB SER 3 -9.104 25.607 -38.713 12 HB3 SER 3 2HB SER 3 -9.929 25.750 -40.265 13 HG SER 3 HG SER 3 -10.793 27.206 -38.008 14 H GLY 4 H GLY 4 -9.420 23.836 -37.128 15 HA2 GLY 4 1HA GLY 4 -9.471 24.971 -34.770 16 HA3 GLY 4 2HA GLY 4 -11.070 24.244 -34.740 17 H SER 5 H SER 5 -8.467 23.802 -33.212 18 HA SER 5 HA SER 5 -8.769 21.019 -32.836 19 HB2 SER 5 1HB SER 5 -6.533 20.289 -33.639 20 HB3 SER 5 2HB SER 5 -7.582 20.823 -34.952 21 HG SER 5 HG SER 5 -5.271 21.988 -33.925 22 H SER 6 H SER 6 -8.004 20.460 -30.877 23 HA SER 6 HA SER 6 -5.740 21.708 -29.660 24 HB2 SER 6 1HB SER 6 -7.663 23.404 -29.417 25 HB3 SER 6 2HB SER 6 -8.356 22.259 -28.269 26 HG SER 6 HG SER 6 -5.976 22.431 -27.432 27 H GLY 7 H GLY 7 -5.058 20.643 -27.788 28 HA2 GLY 7 1HA GLY 7 -6.423 18.943 -26.139 29 HA3 GLY 7 2HA GLY 7 -6.024 17.951 -27.533 30 H GLN 8 H GLN 8 -4.898 19.314 -24.618 31 HA GLN 8 HA GLN 8 -2.373 17.905 -24.924 32 HB2 GLN 8 1HB GLN 8 -1.033 19.821 -24.200 33 HB3 GLN 8 2HB GLN 8 -1.856 20.161 -25.717 34 HG2 GLN 8 1HG GLN 8 -3.122 20.986 -23.149 35 HG3 GLN 8 2HG GLN 8 -1.791 21.935 -23.810 36 HE21 GLN 8 1HE2 GLN 8 -2.044 22.826 -25.936 37 HE22 GLN 8 2HE2 GLN 8 -3.621 23.204 -26.532 38 H HIS 9 H HIS 9 -1.228 17.640 -22.884 39 HA HIS 9 HA HIS 9 -2.516 18.379 -20.428 40 HB2 HIS 9 1HB HIS 9 -3.919 16.469 -21.141 41 HB3 HIS 9 2HB HIS 9 -2.481 15.454 -21.201 42 HD1 HIS 9 1HD HIS 9 -4.398 17.520 -18.648 43 HD2 HIS 9 2HD HIS 9 -1.970 14.157 -18.878 44 HE1 HIS 9 1HE HIS 9 -4.386 16.540 -16.332 45 H GLN 10 H GLN 10 -1.233 17.971 -18.596 46 HA GLN 10 HA GLN 10 1.406 16.787 -19.094 47 HB2 GLN 10 1HB GLN 10 1.239 19.416 -19.167 48 HB3 GLN 10 2HB GLN 10 1.217 19.253 -17.416 49 HG2 GLN 10 1HG GLN 10 3.465 19.645 -18.531 50 HG3 GLN 10 2HG GLN 10 3.359 18.339 -17.352 51 HE21 GLN 10 1HE2 GLN 10 4.875 16.970 -18.063 52 HE22 GLN 10 2HE2 GLN 10 4.897 16.248 -19.632 53 H GLU 11 H GLU 11 1.350 15.057 -17.798 54 HA GLU 11 HA GLU 11 0.198 15.310 -15.118 55 HB2 GLU 11 1HB GLU 11 -0.555 13.425 -16.510 56 HB3 GLU 11 2HB GLU 11 1.102 12.849 -16.625 57 HG2 GLU 11 1HG GLU 11 1.166 12.385 -14.275 58 HG3 GLU 11 2HG GLU 11 -0.418 13.122 -14.044 59 H ALA 12 H ALA 12 1.342 14.683 -13.254 60 HA ALA 12 HA ALA 12 4.190 14.136 -13.489 61 HB1 ALA 12 1HB ALA 12 4.927 16.157 -12.948 62 HB2 ALA 12 2HB ALA 12 3.274 16.759 -13.075 63 HB3 ALA 12 3HB ALA 12 3.891 16.197 -11.522 64 H GLY 13 H GLY 13 4.878 12.793 -11.928 65 HA2 GLY 13 1HA GLY 13 3.808 12.773 -9.282 66 HA3 GLY 13 2HA GLY 13 3.168 11.444 -10.236 67 H ALA 14 H ALA 14 5.189 11.824 -7.908 68 HA ALA 14 HA ALA 14 7.433 10.335 -9.079 69 HB1 ALA 14 1HB ALA 14 8.797 11.182 -7.462 70 HB2 ALA 14 2HB ALA 14 7.610 12.484 -7.546 71 HB3 ALA 14 3HB ALA 14 7.506 11.277 -6.264 72 H GLY 15 H GLY 15 8.387 8.616 -7.634 73 HA2 GLY 15 1HA GLY 15 6.186 6.951 -6.615 74 HA3 GLY 15 2HA GLY 15 7.739 6.354 -7.179 75 H ASP 16 H ASP 16 7.216 9.041 -4.955 76 HA ASP 16 HA ASP 16 8.327 7.397 -2.783 77 HB2 ASP 16 1HB ASP 16 9.065 10.295 -3.166 78 HB3 ASP 16 2HB ASP 16 9.830 9.103 -2.118 79 H LEU 17 H LEU 17 5.612 7.861 -3.162 80 HA LEU 17 HA LEU 17 5.020 9.563 -0.840 81 HB2 LEU 17 1HB LEU 17 3.122 9.366 -3.146 82 HB3 LEU 17 2HB LEU 17 3.183 10.569 -1.860 83 HG LEU 17 HG LEU 17 5.302 10.358 -3.988 84 HD11 LEU 17 1HD1 LEU 17 3.375 12.541 -4.217 85 HD12 LEU 17 2HD1 LEU 17 2.691 10.947 -4.534 86 HD13 LEU 17 3HD1 LEU 17 4.081 11.511 -5.462 87 HD21 LEU 17 1HD2 LEU 17 5.942 11.561 -1.978 88 HD22 LEU 17 2HD2 LEU 17 4.490 12.556 -2.087 89 HD23 LEU 17 3HD2 LEU 17 5.740 12.682 -3.325 90 H CYS 18 H CYS 18 3.613 8.725 0.611 91 HA CYS 18 HA CYS 18 3.194 6.120 1.023 92 HB2 CYS 18 1HB CYS 18 2.457 7.914 2.564 93 HB3 CYS 18 2HB CYS 18 1.074 8.222 1.519 94 H ALA 19 H ALA 19 1.587 4.557 0.604 95 HA ALA 19 HA ALA 19 0.313 4.891 -2.009 96 HB1 ALA 19 1HB ALA 19 1.760 2.816 -0.938 97 HB2 ALA 19 2HB ALA 19 0.094 2.260 -0.777 98 HB3 ALA 19 3HB ALA 19 0.720 2.724 -2.359 99 H LEU 20 H LEU 20 -0.435 4.536 1.358 100 HA LEU 20 HA LEU 20 -3.146 3.717 1.041 101 HB2 LEU 20 1HB LEU 20 -1.405 4.607 3.247 102 HB3 LEU 20 2HB LEU 20 -3.130 4.897 3.467 103 HG LEU 20 HG LEU 20 -2.226 2.767 4.465 104 HD11 LEU 20 1HD1 LEU 20 -4.651 3.319 3.630 105 HD12 LEU 20 2HD1 LEU 20 -4.226 1.694 4.167 106 HD13 LEU 20 3HD1 LEU 20 -4.296 2.063 2.444 107 HD21 LEU 20 1HD2 LEU 20 -1.554 2.346 1.632 108 HD22 LEU 20 2HD2 LEU 20 -2.301 0.972 2.447 109 HD23 LEU 20 3HD2 LEU 20 -0.817 1.678 3.088 110 H CYS 21 H CYS 21 -1.765 6.837 2.094 111 HA CYS 21 HA CYS 21 -4.268 8.162 1.401 112 HB2 CYS 21 1HB CYS 21 -3.188 10.160 2.451 113 HB3 CYS 21 2HB CYS 21 -3.337 8.779 3.532 114 H GLY 22 H GLY 22 -0.796 8.484 0.664 115 HA2 GLY 22 1HA GLY 22 -0.056 8.774 -1.611 116 HA3 GLY 22 2HA GLY 22 -1.565 9.609 -1.948 117 H GLU 23 H GLU 23 0.514 10.156 0.845 118 HA GLU 23 HA GLU 23 0.940 12.902 -0.125 119 HB2 GLU 23 1HB GLU 23 0.736 11.754 2.651 120 HB3 GLU 23 2HB GLU 23 1.441 13.338 2.356 121 HG2 GLU 23 1HG GLU 23 -0.798 13.750 1.061 122 HG3 GLU 23 2HG GLU 23 -1.380 12.437 2.083 123 H HIS 24 H HIS 24 2.990 13.878 1.037 124 HA HIS 24 HA HIS 24 5.234 12.631 -0.091 125 HB2 HIS 24 1HB HIS 24 4.804 15.111 0.722 126 HB3 HIS 24 2HB HIS 24 5.569 14.525 2.196 127 HD1 HIS 24 1HD HIS 24 6.308 15.704 -1.195 128 HD2 HIS 24 2HD HIS 24 8.285 13.609 1.799 129 HE1 HIS 24 1HE HIS 24 8.744 15.784 -1.815 130 H LEU 25 H LEU 25 7.014 11.582 0.853 131 HA LEU 25 HA LEU 25 6.418 10.295 3.435 132 HB2 LEU 25 1HB LEU 25 7.955 9.285 1.052 133 HB3 LEU 25 2HB LEU 25 7.940 8.477 2.617 134 HG LEU 25 HG LEU 25 5.441 8.985 1.017 135 HD11 LEU 25 1HD1 LEU 25 7.494 6.861 0.763 136 HD12 LEU 25 2HD1 LEU 25 6.438 7.571 -0.457 137 HD13 LEU 25 3HD1 LEU 25 5.799 6.380 0.675 138 HD21 LEU 25 1HD2 LEU 25 6.138 7.284 3.396 139 HD22 LEU 25 2HD2 LEU 25 4.684 7.021 2.432 140 HD23 LEU 25 3HD2 LEU 25 4.919 8.553 3.275 141 H TYR 26 H TYR 26 8.082 10.030 4.939 142 HA TYR 26 HA TYR 26 10.393 11.801 4.506 143 HB2 TYR 26 1HB TYR 26 8.846 12.445 6.344 144 HB3 TYR 26 2HB TYR 26 9.187 10.909 7.133 145 HD1 TYR 26 1HD TYR 26 11.459 13.346 5.450 146 HD2 TYR 26 2HD TYR 26 10.372 11.387 9.067 147 HE1 TYR 26 1HE TYR 26 13.397 14.361 6.574 148 HE2 TYR 26 2HE TYR 26 12.307 12.397 10.202 149 HH TYR 26 HH TYR 26 14.213 13.549 9.917 150 H VAL 27 H VAL 27 12.440 11.160 5.400 151 HA VAL 27 HA VAL 27 13.334 8.674 4.689 152 HB VAL 27 HB VAL 27 15.250 9.047 6.261 153 HG11 VAL 27 1HG1 VAL 27 16.212 10.689 4.936 154 HG12 VAL 27 2HG1 VAL 27 14.922 10.070 3.904 155 HG13 VAL 27 3HG1 VAL 27 14.703 11.587 4.776 156 HG21 VAL 27 1HG2 VAL 27 15.061 10.418 7.997 157 HG22 VAL 27 2HG2 VAL 27 14.658 11.763 6.930 158 HG23 VAL 27 3HG2 VAL 27 13.381 10.717 7.551 159 H LEU 28 H LEU 28 11.578 9.546 7.527 160 HA LEU 28 HA LEU 28 12.087 6.897 8.705 161 HB2 LEU 28 1HB LEU 28 11.021 9.424 9.954 162 HB3 LEU 28 2HB LEU 28 11.150 7.875 10.785 163 HG LEU 28 HG LEU 28 13.537 9.299 9.630 164 HD11 LEU 28 1HD1 LEU 28 11.949 10.121 11.834 165 HD12 LEU 28 2HD1 LEU 28 13.477 10.791 11.264 166 HD13 LEU 28 3HD1 LEU 28 13.474 9.490 12.456 167 HD21 LEU 28 1HD2 LEU 28 14.543 7.892 11.590 168 HD22 LEU 28 2HD2 LEU 28 14.187 7.132 10.039 169 HD23 LEU 28 3HD2 LEU 28 13.073 6.938 11.394 170 H GLU 29 H GLU 29 9.524 9.200 7.885 171 HA GLU 29 HA GLU 29 7.418 7.367 8.564 172 HB2 GLU 29 1HB GLU 29 7.147 9.840 6.863 173 HB3 GLU 29 2HB GLU 29 5.914 9.060 7.843 174 HG2 GLU 29 1HG GLU 29 8.338 10.088 9.210 175 HG3 GLU 29 2HG GLU 29 7.147 11.252 8.632 176 H ARG 30 H ARG 30 9.037 5.992 6.912 177 HA ARG 30 HA ARG 30 7.321 5.573 4.594 178 HB2 ARG 30 1HB ARG 30 9.023 5.699 2.976 179 HB3 ARG 30 2HB ARG 30 9.261 7.122 3.981 180 HG2 ARG 30 1HG ARG 30 11.103 6.105 5.109 181 HG3 ARG 30 2HG ARG 30 10.788 4.554 4.328 182 HD2 ARG 30 1HD ARG 30 11.579 5.279 2.278 183 HD3 ARG 30 2HD ARG 30 11.321 6.979 2.666 184 HE ARG 30 HE ARG 30 13.359 7.020 3.778 185 HH11 ARG 30 2HH1 ARG 30 12.579 3.796 2.723 186 HH12 ARG 30 1HH1 ARG 30 14.174 3.179 2.999 187 HH21 ARG 30 2HH2 ARG 30 15.463 6.221 4.145 188 HH22 ARG 30 1HH2 ARG 30 15.814 4.559 3.809 189 H LEU 31 H LEU 31 7.040 3.467 4.148 190 HA LEU 31 HA LEU 31 8.800 1.543 5.520 191 HB2 LEU 31 1HB LEU 31 5.863 1.682 5.177 192 HB3 LEU 31 2HB LEU 31 6.601 0.084 5.082 193 HG LEU 31 HG LEU 31 7.610 0.517 7.338 194 HD11 LEU 31 1HD1 LEU 31 7.110 2.359 8.593 195 HD12 LEU 31 2HD1 LEU 31 5.598 2.670 7.740 196 HD13 LEU 31 3HD1 LEU 31 7.138 3.081 6.984 197 HD21 LEU 31 1HD2 LEU 31 5.717 -0.900 7.234 198 HD22 LEU 31 2HD2 LEU 31 4.623 0.460 6.981 199 HD23 LEU 31 3HD2 LEU 31 5.411 0.241 8.543 200 H CYS 32 H CYS 32 10.189 0.823 4.022 201 HA CYS 32 HA CYS 32 9.601 0.601 1.261 202 HB2 CYS 32 1HB CYS 32 11.777 -1.021 2.515 203 HB3 CYS 32 2HB CYS 32 11.782 -0.127 1.000 204 HG CYS 32 HG CYS 32 13.616 1.170 2.542 205 H VAL 33 H VAL 33 7.894 -0.685 0.765 206 HA VAL 33 HA VAL 33 8.119 -3.526 1.519 207 HB VAL 33 HB VAL 33 5.588 -1.913 1.175 208 HG11 VAL 33 1HG1 VAL 33 4.624 -4.177 2.064 209 HG12 VAL 33 2HG1 VAL 33 4.948 -3.960 0.342 210 HG13 VAL 33 3HG1 VAL 33 6.091 -4.848 1.351 211 HG21 VAL 33 1HG2 VAL 33 7.187 -2.110 3.382 212 HG22 VAL 33 2HG2 VAL 33 5.460 -1.754 3.408 213 HG23 VAL 33 3HG2 VAL 33 6.023 -3.408 3.651 214 H ASN 34 H ASN 34 9.005 -4.350 -0.309 215 HA ASN 34 HA ASN 34 9.217 -5.018 -2.475 216 HB2 ASN 34 1HB ASN 34 6.234 -4.733 -2.191 217 HB3 ASN 34 2HB ASN 34 6.958 -5.257 -3.709 218 HD21 ASN 34 1HD2 ASN 34 6.769 -5.994 -0.269 219 HD22 ASN 34 2HD2 ASN 34 7.012 -7.697 -0.437 220 H GLY 35 H GLY 35 9.705 -2.280 -2.004 221 HA2 GLY 35 1HA GLY 35 10.388 -0.641 -3.559 222 HA3 GLY 35 2HA GLY 35 9.197 -1.257 -4.695 223 H HIS 36 H HIS 36 6.968 -1.238 -2.917 224 HA HIS 36 HA HIS 36 6.239 1.527 -3.158 225 HB2 HIS 36 1HB HIS 36 4.646 -0.637 -1.785 226 HB3 HIS 36 2HB HIS 36 4.044 0.845 -2.523 227 HD1 HIS 36 1HD HIS 36 5.453 0.637 -5.261 228 HD2 HIS 36 2HD HIS 36 3.483 -2.506 -3.391 229 HE1 HIS 36 1HE HIS 36 4.825 -0.955 -7.104 230 H PHE 37 H PHE 37 5.986 3.038 -1.585 231 HA PHE 37 HA PHE 37 6.905 2.284 1.108 232 HB2 PHE 37 1HB PHE 37 6.990 4.993 -0.237 233 HB3 PHE 37 2HB PHE 37 7.595 4.626 1.375 234 HD1 PHE 37 1HD PHE 37 8.106 4.016 -2.224 235 HD2 PHE 37 2HD PHE 37 9.724 3.651 1.696 236 HE1 PHE 37 1HE PHE 37 10.295 3.433 -3.185 237 HE2 PHE 37 2HE PHE 37 11.915 3.069 0.741 238 HZ PHE 37 HZ PHE 37 12.203 2.959 -1.703 239 H PHE 38 H PHE 38 5.804 3.034 2.920 240 HA PHE 38 HA PHE 38 3.300 4.482 2.496 241 HB2 PHE 38 1HB PHE 38 3.350 1.988 4.187 242 HB3 PHE 38 2HB PHE 38 1.950 2.895 3.625 243 HD1 PHE 38 1HD PHE 38 4.897 1.110 2.187 244 HD2 PHE 38 2HD PHE 38 0.740 1.984 1.908 245 HE1 PHE 38 1HE PHE 38 4.716 -0.385 0.241 246 HE2 PHE 38 2HE PHE 38 0.553 0.490 -0.038 247 HZ PHE 38 HZ PHE 38 2.543 -0.698 -0.873 248 H HIS 39 H HIS 39 2.315 5.180 4.583 249 HA HIS 39 HA HIS 39 4.345 6.321 6.257 250 HB2 HIS 39 1HB HIS 39 1.355 6.496 6.129 251 HB3 HIS 39 2HB HIS 39 2.205 7.101 7.548 252 HD2 HIS 39 2HD HIS 39 4.722 8.480 5.798 253 HE1 HIS 39 1HE HIS 39 1.573 10.816 4.175 254 HE2 HIS 39 2HE HIS 39 4.067 10.580 4.436 255 H ARG 40 H ARG 40 4.656 5.991 8.476 256 HA ARG 40 HA ARG 40 4.488 3.308 9.338 257 HB2 ARG 40 1HB ARG 40 5.328 5.889 10.576 258 HB3 ARG 40 2HB ARG 40 5.035 4.516 11.635 259 HG2 ARG 40 1HG ARG 40 6.811 4.218 9.252 260 HG3 ARG 40 2HG ARG 40 7.420 4.956 10.735 261 HD2 ARG 40 1HD ARG 40 6.071 2.264 10.636 262 HD3 ARG 40 2HD ARG 40 7.817 2.486 10.529 263 HE ARG 40 HE ARG 40 6.169 2.735 12.886 264 HH11 ARG 40 2HH1 ARG 40 9.215 3.500 11.385 265 HH12 ARG 40 1HH1 ARG 40 10.045 3.734 12.887 266 HH21 ARG 40 2HH2 ARG 40 7.250 3.041 14.871 267 HH22 ARG 40 1HH2 ARG 40 8.927 3.471 14.870 268 H SER 41 H SER 41 2.190 5.774 9.319 269 HA SER 41 HA SER 41 0.696 4.648 11.575 270 HB2 SER 41 1HB SER 41 0.576 7.240 10.077 271 HB3 SER 41 2HB SER 41 -0.856 6.673 10.937 272 HG SER 41 HG SER 41 0.323 6.672 12.841 273 H CYS 42 H CYS 42 0.222 5.534 8.161 274 HA CYS 42 HA CYS 42 -2.346 4.473 7.866 275 HB2 CYS 42 1HB CYS 42 -0.150 4.712 5.798 276 HB3 CYS 42 2HB CYS 42 -1.853 4.441 5.444 277 H PHE 43 H PHE 43 0.806 2.983 7.152 278 HA PHE 43 HA PHE 43 -0.042 0.538 6.209 279 HB2 PHE 43 1HB PHE 43 2.358 1.505 6.517 280 HB3 PHE 43 2HB PHE 43 2.299 0.701 8.081 281 HD1 PHE 43 2HD PHE 43 1.648 -0.018 4.480 282 HD2 PHE 43 1HD PHE 43 3.074 -1.455 8.224 283 HE1 PHE 43 2HE PHE 43 2.312 -2.132 3.412 284 HE2 PHE 43 1HE PHE 43 3.741 -3.571 7.162 285 HZ PHE 43 HZ PHE 43 3.359 -3.913 4.753 286 H ARG 44 H ARG 44 -1.668 -0.565 7.134 287 HA ARG 44 HA ARG 44 -1.207 -1.706 9.763 288 HB2 ARG 44 1HB ARG 44 -3.725 -0.147 9.149 289 HB3 ARG 44 2HB ARG 44 -3.428 -1.084 10.607 290 HG2 ARG 44 1HG ARG 44 -1.669 0.407 11.274 291 HG3 ARG 44 2HG ARG 44 -1.784 1.286 9.748 292 HD2 ARG 44 1HD ARG 44 -4.034 2.008 10.308 293 HD3 ARG 44 2HD ARG 44 -3.982 1.073 11.802 294 HE ARG 44 HE ARG 44 -2.710 3.623 11.290 295 HH11 ARG 44 2HH1 ARG 44 -2.893 0.810 13.333 296 HH12 ARG 44 1HH1 ARG 44 -2.180 1.597 14.702 297 HH21 ARG 44 2HH2 ARG 44 -1.771 4.670 13.085 298 HH22 ARG 44 1HH2 ARG 44 -1.543 3.793 14.560 299 H CYS 45 H CYS 45 -3.046 -3.294 10.293 300 HA CYS 45 HA CYS 45 -3.168 -5.244 8.316 301 HB2 CYS 45 1HB CYS 45 -3.537 -5.583 10.780 302 HB3 CYS 45 2HB CYS 45 -5.152 -4.913 10.573 303 H HIS 46 H HIS 46 -5.123 -6.149 7.282 304 HA HIS 46 HA HIS 46 -6.735 -3.981 6.147 305 HB2 HIS 46 1HB HIS 46 -5.596 -5.295 4.489 306 HB3 HIS 46 2HB HIS 46 -6.180 -6.797 5.200 307 HD1 HIS 46 1HD HIS 46 -7.084 -4.145 2.807 308 HD2 HIS 46 2HD HIS 46 -8.964 -7.309 4.735 309 HE1 HIS 46 1HE HIS 46 -9.243 -4.499 1.568 310 H THR 47 H THR 47 -6.979 -6.112 8.604 311 HA THR 47 HA THR 47 -9.899 -6.364 8.282 312 HB THR 47 HB THR 47 -7.940 -8.310 9.485 313 HG1 THR 47 1HG THR 47 -8.995 -8.190 7.157 314 HG21 THR 47 1HG2 THR 47 -9.803 -9.580 10.376 315 HG22 THR 47 2HG2 THR 47 -10.944 -8.368 9.792 316 HG23 THR 47 3HG2 THR 47 -9.804 -7.961 11.075 317 H CYS 48 H CYS 48 -7.230 -5.986 10.581 318 HA CYS 48 HA CYS 48 -9.142 -4.876 12.526 319 HB2 CYS 48 1HB CYS 48 -7.486 -5.403 14.254 320 HB3 CYS 48 2HB CYS 48 -7.922 -6.844 13.342 321 H GLU 49 H GLU 49 -6.905 -3.973 10.273 322 HA GLU 49 HA GLU 49 -5.625 -2.120 9.898 323 HB2 GLU 49 1HB GLU 49 -7.878 -0.982 11.552 324 HB3 GLU 49 2HB GLU 49 -6.674 0.019 10.753 325 HG2 GLU 49 1HG GLU 49 -7.470 -0.450 8.655 326 HG3 GLU 49 2HG GLU 49 -8.175 -1.988 9.149 327 H ALA 50 H ALA 50 -4.341 -3.562 11.697 328 HA ALA 50 HA ALA 50 -3.650 -1.771 13.923 329 HB1 ALA 50 1HB ALA 50 -4.307 -4.042 14.553 330 HB2 ALA 50 2HB ALA 50 -3.004 -4.695 13.558 331 HB3 ALA 50 3HB ALA 50 -2.626 -3.715 14.974 332 H THR 51 H THR 51 -1.653 -0.909 14.123 333 HA THR 51 HA THR 51 -0.020 -0.415 12.001 334 HB THR 51 HB THR 51 0.959 -0.726 14.846 335 HG1 THR 51 1HG THR 51 -0.039 1.101 15.255 336 HG21 THR 51 1HG2 THR 51 2.714 -0.503 13.087 337 HG22 THR 51 2HG2 THR 51 2.687 0.835 14.236 338 HG23 THR 51 3HG2 THR 51 1.995 1.039 12.627 339 H LEU 52 H LEU 52 0.707 -1.953 10.650 340 HA LEU 52 HA LEU 52 1.641 -4.505 11.568 341 HB2 LEU 52 1HB LEU 52 1.844 -3.217 8.850 342 HB3 LEU 52 2HB LEU 52 2.183 -4.908 9.213 343 HG LEU 52 HG LEU 52 -0.514 -3.584 9.493 344 HD11 LEU 52 1HD1 LEU 52 0.632 -4.052 7.142 345 HD12 LEU 52 2HD1 LEU 52 -1.088 -4.315 7.422 346 HD13 LEU 52 3HD1 LEU 52 0.030 -5.678 7.468 347 HD21 LEU 52 1HD2 LEU 52 0.132 -6.520 9.521 348 HD22 LEU 52 2HD2 LEU 52 -1.377 -5.725 9.967 349 HD23 LEU 52 3HD2 LEU 52 0.048 -5.552 10.993 350 H TRP 53 H TRP 53 3.411 -4.238 12.878 351 HA TRP 53 HA TRP 53 5.599 -2.541 12.277 352 HB2 TRP 53 1HB TRP 53 5.904 -4.976 13.998 353 HB3 TRP 53 2HB TRP 53 6.592 -3.368 14.208 354 HD1 TRP 53 HD TRP 53 3.259 -5.253 14.658 355 HE1 TRP 53 1HE TRP 53 1.851 -3.992 16.405 356 HE3 TRP 53 3HE TRP 53 6.264 -1.173 15.331 357 HZ2 TRP 53 2HZ TRP 53 1.995 -1.586 17.874 358 HZ3 TRP 53 3HZ TRP 53 5.557 0.563 16.925 359 HH2 TRP 53 HH TRP 53 3.466 0.359 18.169 360 HA PRO 54 HA PRO 54 7.979 -4.884 9.429 361 HB2 PRO 54 1HB PRO 54 10.504 -4.235 10.187 362 HB3 PRO 54 2HB PRO 54 9.430 -3.103 9.358 363 HG2 PRO 54 1HG PRO 54 10.056 -3.328 12.276 364 HG3 PRO 54 2HG PRO 54 9.915 -1.874 11.271 365 HD2 PRO 54 1HD PRO 54 7.926 -2.713 12.905 366 HD3 PRO 54 2HD PRO 54 7.612 -1.874 11.372 367 H GLY 55 H GLY 55 7.214 -6.920 10.476 368 HA2 GLY 55 1HA GLY 55 8.932 -8.905 10.694 369 HA3 GLY 55 2HA GLY 55 9.150 -8.171 12.276 370 H GLY 56 H GLY 56 6.135 -7.438 11.986 371 HA2 GLY 56 1HA GLY 56 5.156 -10.082 12.873 372 HA3 GLY 56 2HA GLY 56 4.657 -8.570 13.616 373 H TYR 57 H TYR 57 4.979 -9.421 10.185 374 HA TYR 57 HA TYR 57 2.125 -9.544 9.816 375 HB2 TYR 57 1HB TYR 57 1.795 -7.599 8.558 376 HB3 TYR 57 2HB TYR 57 2.808 -7.052 9.889 377 HD1 TYR 57 2HD TYR 57 5.344 -6.924 9.451 378 HD2 TYR 57 1HD TYR 57 2.444 -7.211 6.351 379 HE1 TYR 57 2HE TYR 57 6.983 -6.039 7.845 380 HE2 TYR 57 1HE TYR 57 4.075 -6.327 4.736 381 HH TYR 57 HH TYR 57 7.195 -6.312 5.095 382 H GLU 58 H GLU 58 1.562 -9.898 7.495 383 HA GLU 58 HA GLU 58 3.731 -10.763 5.775 384 HB2 GLU 58 1HB GLU 58 1.913 -12.636 7.193 385 HB3 GLU 58 2HB GLU 58 2.260 -12.985 5.505 386 HG2 GLU 58 1HG GLU 58 4.425 -12.489 7.522 387 HG3 GLU 58 2HG GLU 58 3.740 -14.088 7.235 388 H GLN 59 H GLN 59 3.127 -10.998 3.602 389 HA GLN 59 HA GLN 59 0.514 -9.815 2.968 390 HB2 GLN 59 1HB GLN 59 2.355 -8.514 2.121 391 HB3 GLN 59 2HB GLN 59 3.084 -9.936 1.387 392 HG2 GLN 59 1HG GLN 59 0.931 -10.084 0.005 393 HG3 GLN 59 2HG GLN 59 0.644 -8.427 0.535 394 HE21 GLN 59 1HE2 GLN 59 0.748 -8.355 -1.945 395 HE22 GLN 59 2HE2 GLN 59 2.288 -7.953 -2.615 396 H HIS 60 H HIS 60 -0.911 -11.436 2.710 397 HA HIS 60 HA HIS 60 -0.400 -14.022 1.847 398 HB2 HIS 60 1HB HIS 60 -2.521 -13.148 2.915 399 HB3 HIS 60 2HB HIS 60 -2.975 -12.531 1.329 400 HD1 HIS 60 1HD HIS 60 -3.863 -14.200 -0.373 401 HD2 HIS 60 2HD HIS 60 -2.540 -15.982 3.139 402 HE1 HIS 60 1HE HIS 60 -4.648 -16.586 -0.493 403 HA PRO 61 HA PRO 61 0.501 -13.499 -2.451 404 HB2 PRO 61 1HB PRO 61 0.302 -16.110 -3.169 405 HB3 PRO 61 2HB PRO 61 1.682 -15.462 -2.274 406 HG2 PRO 61 1HG PRO 61 -0.702 -16.958 -1.255 407 HG3 PRO 61 2HG PRO 61 1.006 -17.142 -0.815 408 HD2 PRO 61 1HD PRO 61 -0.755 -15.772 0.720 409 HD3 PRO 61 2HD PRO 61 0.963 -15.334 0.614 410 H GLY 62 H GLY 62 -2.191 -15.681 -1.590 411 HA2 GLY 62 1HA GLY 62 -3.592 -15.931 -3.860 412 HA3 GLY 62 2HA GLY 62 -4.392 -15.603 -2.330 413 H ASP 63 H ASP 63 -5.106 -13.516 -1.863 414 HA ASP 63 HA ASP 63 -6.024 -12.007 -4.036 415 HB2 ASP 63 1HB ASP 63 -5.772 -11.377 -1.098 416 HB3 ASP 63 2HB ASP 63 -6.472 -10.238 -2.244 417 H GLY 64 H GLY 64 -3.518 -11.123 -1.647 418 HA2 GLY 64 1HA GLY 64 -1.368 -10.309 -2.522 419 HA3 GLY 64 2HA GLY 64 -2.286 -9.451 -3.750 420 H HIS 65 H HIS 65 -2.841 -9.690 -0.253 421 HA HIS 65 HA HIS 65 -2.417 -6.781 -0.074 422 HB2 HIS 65 1HB HIS 65 -4.654 -8.451 1.051 423 HB3 HIS 65 2HB HIS 65 -4.231 -6.893 1.755 424 HD1 HIS 65 1HD HIS 65 -4.278 -4.841 -0.085 425 HD2 HIS 65 2HD HIS 65 -6.440 -8.276 -0.974 426 HE1 HIS 65 1HE HIS 65 -5.927 -4.158 -1.857 427 H PHE 66 H PHE 66 -2.468 -6.237 2.471 428 HA PHE 66 HA PHE 66 -0.482 -8.042 3.686 429 HB2 PHE 66 1HB PHE 66 -0.820 -5.051 3.960 430 HB3 PHE 66 2HB PHE 66 0.283 -6.007 4.944 431 HD1 PHE 66 1HD PHE 66 2.301 -6.945 3.999 432 HD2 PHE 66 2HD PHE 66 -0.367 -4.629 1.626 433 HE1 PHE 66 1HE PHE 66 4.038 -6.721 2.271 434 HE2 PHE 66 2HE PHE 66 1.365 -4.401 -0.106 435 HZ PHE 66 HZ PHE 66 3.571 -5.449 0.215 436 H TYR 67 H TYR 67 -1.091 -9.076 5.461 437 HA TYR 67 HA TYR 67 -3.140 -7.857 7.183 438 HB2 TYR 67 1HB TYR 67 -3.008 -10.807 6.545 439 HB3 TYR 67 2HB TYR 67 -4.249 -9.970 7.471 440 HD1 TYR 67 2HD TYR 67 -2.902 -10.560 4.099 441 HD2 TYR 67 1HD TYR 67 -6.022 -8.775 6.376 442 HE1 TYR 67 2HE TYR 67 -4.213 -10.243 2.043 443 HE2 TYR 67 1HE TYR 67 -7.343 -8.454 4.326 444 HH TYR 67 HH TYR 67 -6.655 -9.986 1.439 445 H CYS 68 H CYS 68 -3.166 -8.759 9.390 446 HA CYS 68 HA CYS 68 -0.507 -8.899 10.436 447 HB2 CYS 68 1HB CYS 68 -1.568 -8.970 12.617 448 HB3 CYS 68 2HB CYS 68 -2.366 -7.759 11.619 449 H LEU 69 H LEU 69 -0.027 -10.610 12.175 450 HA LEU 69 HA LEU 69 -0.097 -13.174 10.880 451 HB2 LEU 69 1HB LEU 69 0.882 -12.700 13.670 452 HB3 LEU 69 2HB LEU 69 1.438 -13.882 12.488 453 HG LEU 69 HG LEU 69 1.931 -10.907 12.365 454 HD11 LEU 69 1HD1 LEU 69 3.209 -12.905 13.881 455 HD12 LEU 69 2HD1 LEU 69 3.726 -11.239 13.619 456 HD13 LEU 69 3HD1 LEU 69 4.284 -12.515 12.538 457 HD21 LEU 69 1HD2 LEU 69 1.730 -12.107 10.168 458 HD22 LEU 69 2HD2 LEU 69 3.114 -13.086 10.656 459 HD23 LEU 69 3HD2 LEU 69 3.291 -11.341 10.464 460 H GLN 70 H GLN 70 -2.514 -11.754 12.264 461 HA GLN 70 HA GLN 70 -3.444 -14.170 13.669 462 HB2 GLN 70 1HB GLN 70 -3.058 -12.322 15.251 463 HB3 GLN 70 2HB GLN 70 -4.151 -11.304 14.322 464 HG2 GLN 70 1HG GLN 70 -6.028 -12.501 14.979 465 HG3 GLN 70 2HG GLN 70 -5.082 -13.912 15.450 466 HE21 GLN 70 1HE2 GLN 70 -6.160 -10.742 16.366 467 HE22 GLN 70 2HE2 GLN 70 -5.716 -10.849 18.032 468 H HIS 71 H HIS 71 -3.875 -12.080 11.089 469 HA HIS 71 HA HIS 71 -6.621 -13.065 10.683 470 HB2 HIS 71 1HB HIS 71 -5.495 -10.316 10.266 471 HB3 HIS 71 2HB HIS 71 -6.844 -10.872 9.280 472 HD2 HIS 71 2HD HIS 71 -7.784 -12.437 12.401 473 HE1 HIS 71 1HE HIS 71 -9.042 -8.422 12.944 474 HE2 HIS 71 2HE HIS 71 -9.158 -10.776 13.831 475 H LEU 72 H LEU 72 -3.450 -12.728 9.488 476 HA LEU 72 HA LEU 72 -3.769 -12.733 6.737 477 HB2 LEU 72 1HB LEU 72 -1.614 -12.550 7.924 478 HB3 LEU 72 2HB LEU 72 -1.713 -14.263 8.326 479 HG LEU 72 HG LEU 72 -1.886 -14.439 5.660 480 HD11 LEU 72 1HD1 LEU 72 -0.805 -11.764 6.234 481 HD12 LEU 72 2HD1 LEU 72 -1.596 -12.387 4.786 482 HD13 LEU 72 3HD1 LEU 72 0.111 -12.726 5.074 483 HD21 LEU 72 1HD2 LEU 72 0.551 -14.865 5.674 484 HD22 LEU 72 2HD2 LEU 72 -0.296 -15.644 7.011 485 HD23 LEU 72 3HD2 LEU 72 0.634 -14.171 7.293 486 HA PRO 73 HA PRO 73 -5.970 -16.579 6.204 487 HB2 PRO 73 1HB PRO 73 -6.180 -16.389 3.504 488 HB3 PRO 73 2HB PRO 73 -7.208 -15.475 4.615 489 HG2 PRO 73 1HG PRO 73 -4.762 -14.588 3.135 490 HG3 PRO 73 2HG PRO 73 -6.294 -13.730 3.380 491 HD2 PRO 73 1HD PRO 73 -4.079 -13.205 4.847 492 HD3 PRO 73 2HD PRO 73 -5.720 -13.054 5.508 493 H GLN 74 H GLN 74 -5.711 -18.396 4.433 494 HA GLN 74 HA GLN 74 -2.887 -18.825 3.793 495 HB2 GLN 74 1HB GLN 74 -4.547 -20.421 5.666 496 HB3 GLN 74 2HB GLN 74 -3.502 -21.317 4.571 497 HG2 GLN 74 1HG GLN 74 -2.518 -19.096 6.339 498 HG3 GLN 74 2HG GLN 74 -2.534 -20.791 6.823 499 HE21 GLN 74 1HE2 GLN 74 -0.688 -18.400 5.526 500 HE22 GLN 74 2HE2 GLN 74 0.506 -19.359 4.726 501 H THR 75 H THR 75 -2.917 -19.034 1.653 502 HA THR 75 HA THR 75 -5.082 -19.754 0.069 503 HB THR 75 HB THR 75 -2.274 -20.381 -0.793 504 HG1 THR 75 1HG THR 75 -1.848 -18.393 -0.113 505 HG21 THR 75 1HG2 THR 75 -3.603 -20.791 -2.600 506 HG22 THR 75 2HG2 THR 75 -3.384 -19.055 -2.826 507 HG23 THR 75 3HG2 THR 75 -4.855 -19.668 -2.071 508 H ASP 76 H ASP 76 -6.179 -21.601 0.242 509 HA ASP 76 HA ASP 76 -5.205 -24.023 1.233 510 HB2 ASP 76 1HB ASP 76 -7.581 -23.328 -0.480 511 HB3 ASP 76 2HB ASP 76 -7.242 -24.994 -0.018 512 H SER 77 H SER 77 -5.662 -22.971 -2.132 513 HA SER 77 HA SER 77 -4.891 -25.287 -3.432 514 HB2 SER 77 1HB SER 77 -5.746 -22.994 -4.363 515 HB3 SER 77 2HB SER 77 -4.028 -22.617 -4.496 516 HG SER 77 HG SER 77 -5.180 -23.687 -6.353 517 H GLY 78 H GLY 78 -2.978 -26.214 -4.025 518 HA2 GLY 78 1HA GLY 78 -0.512 -24.908 -3.061 519 HA3 GLY 78 2HA GLY 78 -0.826 -26.608 -2.747 520 HA PRO 79 HA PRO 79 1.535 -25.976 -6.786 521 HB2 PRO 79 1HB PRO 79 3.832 -27.199 -6.016 522 HB3 PRO 79 2HB PRO 79 3.546 -25.469 -5.799 523 HG2 PRO 79 1HG PRO 79 3.283 -27.695 -3.815 524 HG3 PRO 79 2HG PRO 79 3.993 -26.084 -3.602 525 HD2 PRO 79 1HD PRO 79 1.497 -26.701 -2.753 526 HD3 PRO 79 2HD PRO 79 1.938 -25.078 -3.322 527 H SER 80 H SER 80 1.238 -27.487 -8.301 528 HA SER 80 HA SER 80 1.615 -30.298 -7.712 529 HB2 SER 80 1HB SER 80 -0.623 -30.974 -8.438 530 HB3 SER 80 2HB SER 80 -0.731 -29.906 -7.038 531 HG SER 80 HG SER 80 -1.951 -29.602 -9.310 532 H SER 81 H SER 81 1.186 -31.637 -9.737 533 HA SER 81 HA SER 81 2.586 -30.389 -11.916 534 HB2 SER 81 1HB SER 81 2.648 -32.888 -11.033 535 HB3 SER 81 2HB SER 81 1.337 -33.089 -12.194 536 HG SER 81 HG SER 81 2.936 -31.911 -13.650 537 H GLY 82 H GLY 82 1.829 -30.384 -14.134 538 HA2 GLY 82 1HA GLY 82 -0.818 -30.876 -14.911 539 HA3 GLY 82 2HA GLY 82 -0.707 -29.193 -14.414 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.987 19.459 -44.294 2 HA2 GLY 1 1HA GLY 1 6.877 22.114 -43.615 3 HA3 GLY 1 2HA GLY 1 5.942 20.631 -43.498 4 H SER 2 H SER 2 5.802 21.875 -41.282 5 HA SER 2 HA SER 2 7.150 20.261 -39.386 6 HB2 SER 2 1HB SER 2 8.395 22.127 -38.241 7 HB3 SER 2 2HB SER 2 9.071 21.647 -39.797 8 HG SER 2 HG SER 2 7.979 23.440 -40.723 9 H SER 3 H SER 3 5.966 20.169 -37.574 10 HA SER 3 HA SER 3 4.307 22.433 -36.789 11 HB2 SER 3 1HB SER 3 3.046 20.794 -38.381 12 HB3 SER 3 2HB SER 3 2.991 19.739 -36.969 13 HG SER 3 HG SER 3 2.223 21.965 -36.006 14 H GLY 4 H GLY 4 4.874 22.746 -34.741 15 HA2 GLY 4 1HA GLY 4 4.307 21.025 -32.656 16 HA3 GLY 4 2HA GLY 4 5.977 20.698 -33.094 17 H SER 5 H SER 5 5.224 21.660 -30.582 18 HA SER 5 HA SER 5 6.313 24.399 -30.655 19 HB2 SER 5 1HB SER 5 4.133 23.192 -29.001 20 HB3 SER 5 2HB SER 5 5.119 24.475 -28.300 21 HG SER 5 HG SER 5 3.882 24.724 -30.831 22 H SER 6 H SER 6 6.100 21.436 -28.705 23 HA SER 6 HA SER 6 8.894 21.578 -28.059 24 HB2 SER 6 1HB SER 6 8.660 21.761 -25.646 25 HB3 SER 6 2HB SER 6 7.917 23.165 -26.411 26 HG SER 6 HG SER 6 5.887 22.065 -26.176 27 H GLY 7 H GLY 7 9.673 19.575 -27.815 28 HA2 GLY 7 1HA GLY 7 7.714 17.402 -27.430 29 HA3 GLY 7 2HA GLY 7 9.226 17.243 -28.310 30 H GLN 8 H GLN 8 8.532 18.632 -25.112 31 HA GLN 8 HA GLN 8 10.748 17.140 -23.993 32 HB2 GLN 8 1HB GLN 8 8.849 19.137 -22.751 33 HB3 GLN 8 2HB GLN 8 10.219 18.410 -21.919 34 HG2 GLN 8 1HG GLN 8 11.564 19.369 -23.951 35 HG3 GLN 8 2HG GLN 8 10.177 20.447 -24.086 36 HE21 GLN 8 1HE2 GLN 8 12.982 20.974 -23.361 37 HE22 GLN 8 2HE2 GLN 8 12.923 21.759 -21.823 38 H HIS 9 H HIS 9 10.340 15.051 -23.598 39 HA HIS 9 HA HIS 9 7.864 13.900 -23.049 40 HB2 HIS 9 1HB HIS 9 9.205 11.976 -22.141 41 HB3 HIS 9 2HB HIS 9 9.682 12.505 -23.752 42 HD1 HIS 9 1HD HIS 9 11.024 11.805 -20.459 43 HD2 HIS 9 2HD HIS 9 12.097 14.191 -23.687 44 HE1 HIS 9 1HE HIS 9 13.449 12.368 -20.103 45 H GLN 10 H GLN 10 10.439 14.840 -20.777 46 HA GLN 10 HA GLN 10 8.626 15.689 -18.785 47 HB2 GLN 10 1HB GLN 10 8.734 13.970 -17.179 48 HB3 GLN 10 2HB GLN 10 8.387 13.150 -18.695 49 HG2 GLN 10 1HG GLN 10 10.977 12.883 -18.814 50 HG3 GLN 10 2HG GLN 10 10.886 13.160 -17.075 51 HE21 GLN 10 1HE2 GLN 10 11.716 10.775 -18.471 52 HE22 GLN 10 2HE2 GLN 10 10.651 9.511 -17.968 53 H GLU 11 H GLU 11 9.789 16.101 -16.662 54 HA GLU 11 HA GLU 11 12.599 16.788 -17.223 55 HB2 GLU 11 1HB GLU 11 12.307 18.667 -15.640 56 HB3 GLU 11 2HB GLU 11 11.246 18.786 -17.037 57 HG2 GLU 11 1HG GLU 11 9.480 17.678 -15.552 58 HG3 GLU 11 2HG GLU 11 10.551 18.083 -14.212 59 H ALA 12 H ALA 12 10.339 15.976 -14.599 60 HA ALA 12 HA ALA 12 12.579 14.658 -13.209 61 HB1 ALA 12 1HB ALA 12 11.743 15.367 -11.093 62 HB2 ALA 12 2HB ALA 12 11.853 16.794 -12.124 63 HB3 ALA 12 3HB ALA 12 10.287 16.040 -11.828 64 H GLY 13 H GLY 13 12.081 12.768 -12.029 65 HA2 GLY 13 1HA GLY 13 9.436 11.603 -12.643 66 HA3 GLY 13 2HA GLY 13 10.919 10.678 -12.824 67 H ALA 14 H ALA 14 9.632 12.812 -10.274 68 HA ALA 14 HA ALA 14 10.691 11.246 -8.171 69 HB1 ALA 14 1HB ALA 14 10.323 13.464 -7.603 70 HB2 ALA 14 2HB ALA 14 8.704 13.480 -8.304 71 HB3 ALA 14 3HB ALA 14 9.000 12.627 -6.790 72 H GLY 15 H GLY 15 9.367 10.222 -6.446 73 HA2 GLY 15 1HA GLY 15 6.721 9.367 -6.863 74 HA3 GLY 15 2HA GLY 15 7.808 8.131 -7.478 75 H ASP 16 H ASP 16 7.735 10.241 -4.602 76 HA ASP 16 HA ASP 16 8.023 7.818 -2.951 77 HB2 ASP 16 1HB ASP 16 10.065 9.504 -3.261 78 HB3 ASP 16 2HB ASP 16 9.211 10.376 -1.992 79 H LEU 17 H LEU 17 5.565 8.338 -3.180 80 HA LEU 17 HA LEU 17 4.816 9.939 -0.829 81 HB2 LEU 17 1HB LEU 17 2.977 9.725 -3.169 82 HB3 LEU 17 2HB LEU 17 3.039 10.949 -1.903 83 HG LEU 17 HG LEU 17 5.072 10.680 -4.115 84 HD11 LEU 17 1HD1 LEU 17 2.430 11.892 -4.067 85 HD12 LEU 17 2HD1 LEU 17 3.502 11.561 -5.427 86 HD13 LEU 17 3HD1 LEU 17 3.704 13.038 -4.486 87 HD21 LEU 17 1HD2 LEU 17 6.214 12.336 -3.142 88 HD22 LEU 17 2HD2 LEU 17 5.304 11.932 -1.686 89 HD23 LEU 17 3HD2 LEU 17 4.750 13.234 -2.741 90 H CYS 18 H CYS 18 3.566 8.916 0.605 91 HA CYS 18 HA CYS 18 3.171 6.301 0.860 92 HB2 CYS 18 1HB CYS 18 2.408 8.043 2.483 93 HB3 CYS 18 2HB CYS 18 0.975 8.283 1.489 94 H ALA 19 H ALA 19 1.662 4.712 0.312 95 HA ALA 19 HA ALA 19 0.361 5.154 -2.259 96 HB1 ALA 19 1HB ALA 19 1.691 2.973 -1.061 97 HB2 ALA 19 2HB ALA 19 0.012 2.488 -1.306 98 HB3 ALA 19 3HB ALA 19 0.972 3.062 -2.670 99 H LEU 20 H LEU 20 -0.429 4.842 1.074 100 HA LEU 20 HA LEU 20 -3.175 4.068 0.636 101 HB2 LEU 20 1HB LEU 20 -1.440 4.621 2.964 102 HB3 LEU 20 2HB LEU 20 -3.165 4.910 3.182 103 HG LEU 20 HG LEU 20 -3.282 2.446 2.153 104 HD11 LEU 20 1HD1 LEU 20 -1.452 1.120 3.244 105 HD12 LEU 20 2HD1 LEU 20 -0.589 2.639 3.483 106 HD13 LEU 20 3HD1 LEU 20 -0.956 2.081 1.851 107 HD21 LEU 20 1HD2 LEU 20 -4.349 2.981 4.191 108 HD22 LEU 20 2HD2 LEU 20 -2.813 3.286 5.004 109 HD23 LEU 20 3HD2 LEU 20 -3.260 1.640 4.551 110 H CYS 21 H CYS 21 -1.768 6.912 2.269 111 HA CYS 21 HA CYS 21 -4.144 8.457 1.764 112 HB2 CYS 21 1HB CYS 21 -2.844 10.291 2.881 113 HB3 CYS 21 2HB CYS 21 -3.019 8.832 3.849 114 H GLY 22 H GLY 22 -0.739 8.639 0.736 115 HA2 GLY 22 1HA GLY 22 -0.121 9.140 -1.516 116 HA3 GLY 22 2HA GLY 22 -1.644 9.995 -1.709 117 H GLU 23 H GLU 23 0.614 10.349 0.977 118 HA GLU 23 HA GLU 23 1.005 13.150 0.157 119 HB2 GLU 23 1HB GLU 23 0.997 11.878 2.895 120 HB3 GLU 23 2HB GLU 23 1.540 13.524 2.599 121 HG2 GLU 23 1HG GLU 23 -1.213 12.472 1.990 122 HG3 GLU 23 2HG GLU 23 -0.772 13.415 3.412 123 H HIS 24 H HIS 24 3.108 13.998 1.436 124 HA HIS 24 HA HIS 24 5.303 12.851 0.102 125 HB2 HIS 24 1HB HIS 24 5.022 15.247 1.001 126 HB3 HIS 24 2HB HIS 24 5.561 14.592 2.545 127 HD1 HIS 24 1HD HIS 24 7.984 13.241 2.307 128 HD2 HIS 24 2HD HIS 24 7.061 16.131 -0.532 129 HE1 HIS 24 1HE HIS 24 10.177 13.868 1.248 130 H LEU 25 H LEU 25 7.167 11.803 0.966 131 HA LEU 25 HA LEU 25 6.657 10.325 3.463 132 HB2 LEU 25 1HB LEU 25 7.801 9.355 0.859 133 HB3 LEU 25 2HB LEU 25 8.036 8.486 2.373 134 HG LEU 25 HG LEU 25 5.287 9.127 1.352 135 HD11 LEU 25 1HD1 LEU 25 5.378 6.698 0.517 136 HD12 LEU 25 2HD1 LEU 25 7.127 6.915 0.518 137 HD13 LEU 25 3HD1 LEU 25 6.111 7.954 -0.480 138 HD21 LEU 25 1HD2 LEU 25 4.546 7.718 2.961 139 HD22 LEU 25 2HD2 LEU 25 6.058 8.191 3.737 140 HD23 LEU 25 3HD2 LEU 25 5.959 6.669 2.850 141 H TYR 26 H TYR 26 8.589 9.582 4.587 142 HA TYR 26 HA TYR 26 10.863 11.403 4.147 143 HB2 TYR 26 1HB TYR 26 9.451 11.571 6.305 144 HB3 TYR 26 2HB TYR 26 10.246 10.072 6.774 145 HD1 TYR 26 1HD TYR 26 11.607 13.056 4.998 146 HD2 TYR 26 2HD TYR 26 11.702 10.634 8.495 147 HE1 TYR 26 1HE TYR 26 13.530 14.344 5.830 148 HE2 TYR 26 2HE TYR 26 13.625 11.916 9.337 149 HH TYR 26 HH TYR 26 14.583 14.865 8.032 150 H VAL 27 H VAL 27 12.984 10.598 4.542 151 HA VAL 27 HA VAL 27 13.603 8.179 3.381 152 HB VAL 27 HB VAL 27 15.277 9.913 3.710 153 HG11 VAL 27 1HG1 VAL 27 14.368 10.360 6.115 154 HG12 VAL 27 2HG1 VAL 27 15.582 9.171 6.587 155 HG13 VAL 27 3HG1 VAL 27 16.069 10.644 5.748 156 HG21 VAL 27 1HG2 VAL 27 15.800 7.179 4.795 157 HG22 VAL 27 2HG2 VAL 27 16.330 7.903 3.277 158 HG23 VAL 27 3HG2 VAL 27 17.088 8.384 4.795 159 H LEU 28 H LEU 28 12.866 8.876 6.739 160 HA LEU 28 HA LEU 28 13.439 6.117 7.510 161 HB2 LEU 28 1HB LEU 28 12.724 8.581 9.079 162 HB3 LEU 28 2HB LEU 28 12.817 6.979 9.807 163 HG LEU 28 HG LEU 28 15.130 8.316 8.412 164 HD11 LEU 28 1HD1 LEU 28 15.683 8.236 11.115 165 HD12 LEU 28 2HD1 LEU 28 14.005 8.774 11.047 166 HD13 LEU 28 3HD1 LEU 28 15.253 9.666 10.177 167 HD21 LEU 28 1HD2 LEU 28 16.456 6.628 9.543 168 HD22 LEU 28 2HD2 LEU 28 15.213 5.863 8.551 169 HD23 LEU 28 3HD2 LEU 28 15.006 5.966 10.300 170 H GLU 29 H GLU 29 10.757 8.431 7.961 171 HA GLU 29 HA GLU 29 8.812 6.761 8.877 172 HB2 GLU 29 1HB GLU 29 8.361 8.902 6.792 173 HB3 GLU 29 2HB GLU 29 7.169 8.270 7.919 174 HG2 GLU 29 1HG GLU 29 8.456 9.178 9.788 175 HG3 GLU 29 2HG GLU 29 9.641 9.822 8.653 176 H ARG 30 H ARG 30 9.321 7.489 5.420 177 HA ARG 30 HA ARG 30 7.528 5.923 4.194 178 HB2 ARG 30 1HB ARG 30 8.913 5.847 2.317 179 HB3 ARG 30 2HB ARG 30 9.499 7.255 3.192 180 HG2 ARG 30 1HG ARG 30 11.238 5.708 4.210 181 HG3 ARG 30 2HG ARG 30 10.755 4.541 2.978 182 HD2 ARG 30 1HD ARG 30 11.270 6.204 1.236 183 HD3 ARG 30 2HD ARG 30 11.803 7.326 2.487 184 HE ARG 30 HE ARG 30 13.187 4.847 2.653 185 HH11 ARG 30 2HH1 ARG 30 13.035 7.835 0.872 186 HH12 ARG 30 1HH1 ARG 30 14.701 7.789 0.399 187 HH21 ARG 30 2HH2 ARG 30 15.382 4.776 2.037 188 HH22 ARG 30 1HH2 ARG 30 16.035 6.049 1.062 189 H LEU 31 H LEU 31 7.002 3.830 4.019 190 HA LEU 31 HA LEU 31 8.731 1.879 5.372 191 HB2 LEU 31 1HB LEU 31 6.242 2.321 5.986 192 HB3 LEU 31 2HB LEU 31 5.904 1.339 4.562 193 HG LEU 31 HG LEU 31 7.567 -0.328 5.816 194 HD11 LEU 31 1HD1 LEU 31 7.118 -0.285 8.226 195 HD12 LEU 31 2HD1 LEU 31 6.265 1.247 8.034 196 HD13 LEU 31 3HD1 LEU 31 7.993 1.151 7.692 197 HD21 LEU 31 1HD2 LEU 31 4.690 -0.082 6.662 198 HD22 LEU 31 2HD2 LEU 31 5.661 -1.547 6.515 199 HD23 LEU 31 3HD2 LEU 31 5.182 -0.658 5.069 200 H CYS 32 H CYS 32 10.107 1.095 3.871 201 HA CYS 32 HA CYS 32 9.441 0.672 1.150 202 HB2 CYS 32 1HB CYS 32 11.592 -0.534 1.032 203 HB3 CYS 32 2HB CYS 32 11.749 1.018 1.845 204 HG CYS 32 HG CYS 32 11.137 -1.155 4.169 205 H VAL 33 H VAL 33 7.826 -0.695 0.665 206 HA VAL 33 HA VAL 33 8.084 -3.470 1.602 207 HB VAL 33 HB VAL 33 5.485 -1.944 1.389 208 HG11 VAL 33 1HG1 VAL 33 5.552 -4.602 2.649 209 HG12 VAL 33 2HG1 VAL 33 4.344 -3.876 1.587 210 HG13 VAL 33 3HG1 VAL 33 5.808 -4.584 0.904 211 HG21 VAL 33 1HG2 VAL 33 6.633 -1.283 3.377 212 HG22 VAL 33 2HG2 VAL 33 5.361 -2.412 3.844 213 HG23 VAL 33 3HG2 VAL 33 7.037 -2.955 3.766 214 H ASN 34 H ASN 34 8.692 -4.491 -0.211 215 HA ASN 34 HA ASN 34 8.632 -5.350 -2.315 216 HB2 ASN 34 1HB ASN 34 5.769 -4.512 -1.942 217 HB3 ASN 34 2HB ASN 34 6.314 -5.182 -3.477 218 HD21 ASN 34 1HD2 ASN 34 4.639 -6.784 -2.838 219 HD22 ASN 34 2HD2 ASN 34 5.148 -8.131 -1.883 220 H GLY 35 H GLY 35 9.402 -2.551 -1.859 221 HA2 GLY 35 1HA GLY 35 10.390 -1.143 -3.499 222 HA3 GLY 35 2HA GLY 35 9.166 -1.666 -4.646 223 H HIS 36 H HIS 36 6.939 -1.264 -2.840 224 HA HIS 36 HA HIS 36 6.526 1.533 -3.332 225 HB2 HIS 36 1HB HIS 36 4.769 -0.445 -1.863 226 HB3 HIS 36 2HB HIS 36 4.281 1.149 -2.433 227 HD1 HIS 36 1HD HIS 36 5.221 1.175 -5.279 228 HD2 HIS 36 2HD HIS 36 3.529 -2.185 -3.515 229 HE1 HIS 36 1HE HIS 36 4.349 -0.217 -7.183 230 H PHE 37 H PHE 37 5.807 3.058 -1.686 231 HA PHE 37 HA PHE 37 7.060 2.545 0.932 232 HB2 PHE 37 1HB PHE 37 6.955 5.136 -0.626 233 HB3 PHE 37 2HB PHE 37 7.553 4.986 1.023 234 HD1 PHE 37 2HD PHE 37 9.592 3.616 1.463 235 HD2 PHE 37 1HD PHE 37 8.308 4.599 -2.474 236 HE1 PHE 37 2HE PHE 37 11.832 3.077 0.601 237 HE2 PHE 37 1HE PHE 37 10.546 4.061 -3.343 238 HZ PHE 37 HZ PHE 37 12.312 3.300 -1.804 239 H PHE 38 H PHE 38 5.952 3.127 2.748 240 HA PHE 38 HA PHE 38 3.459 4.617 2.489 241 HB2 PHE 38 1HB PHE 38 3.412 2.014 3.990 242 HB3 PHE 38 2HB PHE 38 2.059 2.965 3.385 243 HD1 PHE 38 1HD PHE 38 5.022 1.077 2.141 244 HD2 PHE 38 2HD PHE 38 0.993 2.273 1.470 245 HE1 PHE 38 1HE PHE 38 4.944 -0.329 0.123 246 HE2 PHE 38 2HE PHE 38 0.908 0.868 -0.548 247 HZ PHE 38 HZ PHE 38 2.885 -0.436 -1.223 248 H HIS 39 H HIS 39 2.543 5.212 4.607 249 HA HIS 39 HA HIS 39 4.628 6.063 6.384 250 HB2 HIS 39 1HB HIS 39 1.628 6.383 6.427 251 HB3 HIS 39 2HB HIS 39 2.669 7.011 7.701 252 HD2 HIS 39 2HD HIS 39 4.999 8.297 5.731 253 HE1 HIS 39 1HE HIS 39 1.758 10.539 4.159 254 HE2 HIS 39 2HE HIS 39 4.263 10.315 4.290 255 H ARG 40 H ARG 40 5.395 4.987 8.071 256 HA ARG 40 HA ARG 40 4.876 2.458 8.828 257 HB2 ARG 40 1HB ARG 40 5.603 4.760 10.645 258 HB3 ARG 40 2HB ARG 40 5.694 3.068 11.116 259 HG2 ARG 40 1HG ARG 40 7.232 2.781 9.091 260 HG3 ARG 40 2HG ARG 40 7.343 4.543 9.099 261 HD2 ARG 40 1HD ARG 40 8.436 4.596 11.134 262 HD3 ARG 40 2HD ARG 40 7.817 3.019 11.623 263 HE ARG 40 HE ARG 40 9.550 2.833 9.367 264 HH11 ARG 40 2HH1 ARG 40 9.487 3.160 12.832 265 HH12 ARG 40 1HH1 ARG 40 11.045 2.437 13.060 266 HH21 ARG 40 2HH2 ARG 40 11.602 1.879 9.653 267 HH22 ARG 40 1HH2 ARG 40 12.247 1.709 11.250 268 H SER 41 H SER 41 2.882 5.209 9.487 269 HA SER 41 HA SER 41 1.293 3.837 11.486 270 HB2 SER 41 1HB SER 41 1.804 6.373 11.402 271 HB3 SER 41 2HB SER 41 0.544 6.439 10.170 272 HG SER 41 HG SER 41 0.150 5.270 12.719 273 H CYS 42 H CYS 42 0.744 5.173 8.229 274 HA CYS 42 HA CYS 42 -1.860 4.332 7.852 275 HB2 CYS 42 1HB CYS 42 0.430 4.840 5.993 276 HB3 CYS 42 2HB CYS 42 -1.055 4.144 5.352 277 H PHE 43 H PHE 43 1.086 2.603 6.821 278 HA PHE 43 HA PHE 43 -0.099 0.304 5.860 279 HB2 PHE 43 1HB PHE 43 2.410 1.057 5.942 280 HB3 PHE 43 2HB PHE 43 2.448 0.112 7.427 281 HD1 PHE 43 1HD PHE 43 2.071 -2.309 7.367 282 HD2 PHE 43 2HD PHE 43 2.274 0.011 3.804 283 HE1 PHE 43 1HE PHE 43 2.400 -4.363 6.052 284 HE2 PHE 43 2HE PHE 43 2.602 -2.039 2.484 285 HZ PHE 43 HZ PHE 43 2.665 -4.229 3.608 286 H ARG 44 H ARG 44 -1.724 -0.656 6.950 287 HA ARG 44 HA ARG 44 -1.052 -1.898 9.511 288 HB2 ARG 44 1HB ARG 44 -3.628 -0.387 9.043 289 HB3 ARG 44 2HB ARG 44 -3.184 -1.259 10.503 290 HG2 ARG 44 1HG ARG 44 -1.570 0.320 11.098 291 HG3 ARG 44 2HG ARG 44 -1.524 1.012 9.475 292 HD2 ARG 44 1HD ARG 44 -3.653 2.021 9.752 293 HD3 ARG 44 2HD ARG 44 -3.967 1.109 11.228 294 HE ARG 44 HE ARG 44 -1.782 2.515 11.892 295 HH11 ARG 44 2HH1 ARG 44 -4.785 3.447 10.398 296 HH12 ARG 44 1HH1 ARG 44 -4.764 5.051 11.052 297 HH21 ARG 44 2HH2 ARG 44 -1.743 4.624 12.760 298 HH22 ARG 44 1HH2 ARG 44 -3.032 5.720 12.395 299 H CYS 45 H CYS 45 -3.131 -3.316 10.146 300 HA CYS 45 HA CYS 45 -3.264 -5.361 8.220 301 HB2 CYS 45 1HB CYS 45 -3.595 -5.597 10.718 302 HB3 CYS 45 2HB CYS 45 -5.215 -4.946 10.488 303 H HIS 46 H HIS 46 -5.368 -6.265 7.377 304 HA HIS 46 HA HIS 46 -6.914 -4.073 6.182 305 HB2 HIS 46 1HB HIS 46 -5.951 -5.388 4.473 306 HB3 HIS 46 2HB HIS 46 -6.344 -6.895 5.295 307 HD1 HIS 46 1HD HIS 46 -7.611 -4.531 2.807 308 HD2 HIS 46 2HD HIS 46 -9.170 -7.550 5.198 309 HE1 HIS 46 1HE HIS 46 -9.853 -5.087 1.812 310 H THR 47 H THR 47 -7.121 -6.359 8.593 311 HA THR 47 HA THR 47 -10.065 -6.417 8.427 312 HB THR 47 HB THR 47 -8.142 -8.473 9.495 313 HG1 THR 47 1HG THR 47 -9.697 -8.202 7.302 314 HG21 THR 47 1HG2 THR 47 -11.124 -8.386 9.970 315 HG22 THR 47 2HG2 THR 47 -9.890 -8.086 11.195 316 HG23 THR 47 3HG2 THR 47 -10.024 -9.678 10.449 317 H CYS 48 H CYS 48 -7.267 -5.772 10.396 318 HA CYS 48 HA CYS 48 -9.046 -4.734 12.502 319 HB2 CYS 48 1HB CYS 48 -7.370 -5.365 14.177 320 HB3 CYS 48 2HB CYS 48 -7.934 -6.776 13.287 321 H GLU 49 H GLU 49 -6.960 -3.915 10.135 322 HA GLU 49 HA GLU 49 -5.499 -2.189 9.740 323 HB2 GLU 49 1HB GLU 49 -6.424 0.013 10.409 324 HB3 GLU 49 2HB GLU 49 -7.617 -1.032 9.650 325 HG2 GLU 49 1HG GLU 49 -8.468 -1.631 11.886 326 HG3 GLU 49 2HG GLU 49 -7.323 -0.494 12.596 327 H ALA 50 H ALA 50 -4.476 -3.737 11.749 328 HA ALA 50 HA ALA 50 -3.640 -1.925 13.886 329 HB1 ALA 50 1HB ALA 50 -4.278 -4.011 14.747 330 HB2 ALA 50 2HB ALA 50 -3.399 -4.892 13.496 331 HB3 ALA 50 3HB ALA 50 -2.514 -4.038 14.760 332 H THR 51 H THR 51 -1.695 -0.992 13.954 333 HA THR 51 HA THR 51 -0.011 -0.635 11.882 334 HB THR 51 HB THR 51 1.008 -0.930 14.712 335 HG1 THR 51 1HG THR 51 -0.153 0.771 15.168 336 HG21 THR 51 1HG2 THR 51 2.542 0.915 13.951 337 HG22 THR 51 2HG2 THR 51 1.957 0.631 12.312 338 HG23 THR 51 3HG2 THR 51 2.813 -0.646 13.177 339 H LEU 52 H LEU 52 0.525 -2.325 10.580 340 HA LEU 52 HA LEU 52 1.445 -4.838 11.562 341 HB2 LEU 52 1HB LEU 52 1.700 -3.647 8.805 342 HB3 LEU 52 2HB LEU 52 1.942 -5.341 9.227 343 HG LEU 52 HG LEU 52 -0.679 -3.865 9.471 344 HD11 LEU 52 1HD1 LEU 52 0.023 -5.946 7.424 345 HD12 LEU 52 2HD1 LEU 52 0.237 -4.222 7.124 346 HD13 LEU 52 3HD1 LEU 52 -1.369 -4.863 7.466 347 HD21 LEU 52 1HD2 LEU 52 -0.410 -6.827 9.414 348 HD22 LEU 52 2HD2 LEU 52 -1.627 -5.815 10.194 349 HD23 LEU 52 3HD2 LEU 52 -0.022 -5.976 10.910 350 H TRP 53 H TRP 53 3.243 -4.661 12.824 351 HA TRP 53 HA TRP 53 5.453 -3.004 12.304 352 HB2 TRP 53 1HB TRP 53 5.646 -5.611 13.798 353 HB3 TRP 53 2HB TRP 53 6.540 -4.118 14.075 354 HD1 TRP 53 HD TRP 53 3.182 -5.780 14.811 355 HE1 TRP 53 1HE TRP 53 1.970 -4.425 16.633 356 HE3 TRP 53 3HE TRP 53 6.325 -1.756 15.056 357 HZ2 TRP 53 2HZ TRP 53 2.301 -1.974 17.993 358 HZ3 TRP 53 3HZ TRP 53 5.806 0.051 16.643 359 HH2 TRP 53 HH TRP 53 3.835 -0.057 18.080 360 HA PRO 54 HA PRO 54 7.750 -5.085 9.196 361 HB2 PRO 54 1HB PRO 54 10.299 -4.568 9.974 362 HB3 PRO 54 2HB PRO 54 9.236 -3.335 9.284 363 HG2 PRO 54 1HG PRO 54 9.901 -3.874 12.153 364 HG3 PRO 54 2HG PRO 54 9.776 -2.321 11.306 365 HD2 PRO 54 1HD PRO 54 7.795 -3.287 12.879 366 HD3 PRO 54 2HD PRO 54 7.475 -2.287 11.447 367 H GLY 55 H GLY 55 7.380 -6.341 12.162 368 HA2 GLY 55 1HA GLY 55 8.888 -8.750 11.448 369 HA3 GLY 55 2HA GLY 55 9.196 -8.025 13.019 370 H GLY 56 H GLY 56 6.009 -7.939 11.621 371 HA2 GLY 56 1HA GLY 56 5.108 -10.321 12.984 372 HA3 GLY 56 2HA GLY 56 4.593 -8.827 13.751 373 H TYR 57 H TYR 57 4.895 -9.771 10.332 374 HA TYR 57 HA TYR 57 2.037 -9.787 9.976 375 HB2 TYR 57 1HB TYR 57 1.839 -7.916 8.527 376 HB3 TYR 57 2HB TYR 57 2.712 -7.339 9.942 377 HD1 TYR 57 2HD TYR 57 5.391 -7.660 9.677 378 HD2 TYR 57 1HD TYR 57 2.615 -7.189 6.488 379 HE1 TYR 57 2HE TYR 57 7.202 -6.840 8.230 380 HE2 TYR 57 1HE TYR 57 4.418 -6.368 5.031 381 HH TYR 57 HH TYR 57 6.674 -5.256 5.343 382 H GLU 58 H GLU 58 1.502 -10.068 7.576 383 HA GLU 58 HA GLU 58 3.619 -11.185 5.954 384 HB2 GLU 58 1HB GLU 58 1.599 -12.872 7.351 385 HB3 GLU 58 2HB GLU 58 2.037 -13.307 5.705 386 HG2 GLU 58 1HG GLU 58 4.349 -13.530 6.325 387 HG3 GLU 58 2HG GLU 58 4.004 -12.947 7.953 388 H GLN 59 H GLN 59 3.134 -11.192 3.795 389 HA GLN 59 HA GLN 59 0.595 -9.930 3.068 390 HB2 GLN 59 1HB GLN 59 2.607 -8.806 2.286 391 HB3 GLN 59 2HB GLN 59 3.156 -10.280 1.502 392 HG2 GLN 59 1HG GLN 59 0.910 -10.103 0.204 393 HG3 GLN 59 2HG GLN 59 0.971 -8.415 0.709 394 HE21 GLN 59 1HE2 GLN 59 1.132 -9.528 -1.962 395 HE22 GLN 59 2HE2 GLN 59 2.642 -9.006 -2.619 396 H HIS 60 H HIS 60 -0.981 -11.297 2.559 397 HA HIS 60 HA HIS 60 -0.581 -13.978 1.762 398 HB2 HIS 60 1HB HIS 60 -2.646 -12.970 2.871 399 HB3 HIS 60 2HB HIS 60 -3.093 -12.382 1.272 400 HD1 HIS 60 1HD HIS 60 -4.094 -14.051 -0.353 401 HD2 HIS 60 2HD HIS 60 -2.732 -15.805 3.158 402 HE1 HIS 60 1HE HIS 60 -4.959 -16.412 -0.401 403 HA PRO 61 HA PRO 61 0.350 -13.280 -2.521 404 HB2 PRO 61 1HB PRO 61 0.314 -15.888 -3.271 405 HB3 PRO 61 2HB PRO 61 1.656 -15.164 -2.378 406 HG2 PRO 61 1HG PRO 61 -0.619 -16.823 -1.362 407 HG3 PRO 61 2HG PRO 61 1.101 -16.902 -0.936 408 HD2 PRO 61 1HD PRO 61 -0.733 -15.668 0.629 409 HD3 PRO 61 2HD PRO 61 0.952 -15.118 0.517 410 H GLY 62 H GLY 62 -2.394 -15.158 -1.373 411 HA2 GLY 62 1HA GLY 62 -3.780 -15.738 -3.652 412 HA3 GLY 62 2HA GLY 62 -4.560 -15.237 -2.159 413 H ASP 63 H ASP 63 -4.784 -12.884 -1.809 414 HA ASP 63 HA ASP 63 -5.784 -11.646 -4.208 415 HB2 ASP 63 1HB ASP 63 -5.659 -10.673 -1.346 416 HB3 ASP 63 2HB ASP 63 -6.446 -9.801 -2.658 417 H GLY 64 H GLY 64 -3.435 -10.612 -1.722 418 HA2 GLY 64 1HA GLY 64 -1.208 -9.932 -2.662 419 HA3 GLY 64 2HA GLY 64 -2.133 -8.978 -3.812 420 H HIS 65 H HIS 65 -2.797 -9.350 -0.365 421 HA HIS 65 HA HIS 65 -2.160 -6.494 -0.015 422 HB2 HIS 65 1HB HIS 65 -4.394 -8.046 1.309 423 HB3 HIS 65 2HB HIS 65 -4.009 -6.351 1.595 424 HD1 HIS 65 1HD HIS 65 -5.363 -4.764 0.277 425 HD2 HIS 65 2HD HIS 65 -5.090 -8.469 -1.583 426 HE1 HIS 65 1HE HIS 65 -6.804 -4.593 -1.777 427 H PHE 66 H PHE 66 -2.340 -6.174 2.626 428 HA PHE 66 HA PHE 66 -0.435 -8.129 3.736 429 HB2 PHE 66 1HB PHE 66 -0.548 -5.132 4.078 430 HB3 PHE 66 2HB PHE 66 0.401 -6.177 5.130 431 HD1 PHE 66 2HD PHE 66 0.057 -4.847 1.730 432 HD2 PHE 66 1HD PHE 66 2.437 -7.181 4.376 433 HE1 PHE 66 2HE PHE 66 1.918 -4.764 0.123 434 HE2 PHE 66 1HE PHE 66 4.303 -7.101 2.774 435 HZ PHE 66 HZ PHE 66 4.045 -5.892 0.644 436 H TYR 67 H TYR 67 -1.095 -9.173 5.489 437 HA TYR 67 HA TYR 67 -3.113 -7.910 7.217 438 HB2 TYR 67 1HB TYR 67 -3.115 -10.851 6.539 439 HB3 TYR 67 2HB TYR 67 -4.351 -9.945 7.404 440 HD1 TYR 67 2HD TYR 67 -2.766 -10.388 4.081 441 HD2 TYR 67 1HD TYR 67 -6.107 -8.882 6.243 442 HE1 TYR 67 2HE TYR 67 -3.956 -10.003 1.964 443 HE2 TYR 67 1HE TYR 67 -7.306 -8.493 4.131 444 HH TYR 67 HH TYR 67 -5.995 -9.565 1.050 445 H CYS 68 H CYS 68 -3.189 -8.802 9.403 446 HA CYS 68 HA CYS 68 -0.579 -9.092 10.494 447 HB2 CYS 68 1HB CYS 68 -1.684 -9.226 12.645 448 HB3 CYS 68 2HB CYS 68 -2.455 -7.972 11.678 449 H LEU 69 H LEU 69 -0.175 -10.885 12.173 450 HA LEU 69 HA LEU 69 -0.305 -13.397 10.765 451 HB2 LEU 69 1HB LEU 69 0.778 -12.932 13.531 452 HB3 LEU 69 2HB LEU 69 1.189 -14.227 12.408 453 HG LEU 69 HG LEU 69 1.966 -11.321 12.197 454 HD11 LEU 69 1HD1 LEU 69 4.170 -12.037 12.596 455 HD12 LEU 69 2HD1 LEU 69 3.745 -13.735 12.380 456 HD13 LEU 69 3HD1 LEU 69 3.184 -12.861 13.805 457 HD21 LEU 69 1HD2 LEU 69 3.041 -11.821 10.141 458 HD22 LEU 69 2HD2 LEU 69 1.381 -12.402 10.003 459 HD23 LEU 69 3HD2 LEU 69 2.694 -13.543 10.300 460 H GLN 70 H GLN 70 -2.690 -12.010 12.163 461 HA GLN 70 HA GLN 70 -3.631 -14.435 13.542 462 HB2 GLN 70 1HB GLN 70 -3.252 -12.769 15.238 463 HB3 GLN 70 2HB GLN 70 -4.118 -11.554 14.307 464 HG2 GLN 70 1HG GLN 70 -6.199 -12.708 14.637 465 HG3 GLN 70 2HG GLN 70 -5.372 -14.045 15.435 466 HE21 GLN 70 1HE2 GLN 70 -6.142 -13.966 17.446 467 HE22 GLN 70 2HE2 GLN 70 -6.062 -12.592 18.489 468 H HIS 71 H HIS 71 -4.058 -12.272 11.026 469 HA HIS 71 HA HIS 71 -6.838 -13.172 10.649 470 HB2 HIS 71 1HB HIS 71 -5.626 -10.459 10.209 471 HB3 HIS 71 2HB HIS 71 -7.042 -10.964 9.293 472 HD2 HIS 71 2HD HIS 71 -7.844 -12.494 12.482 473 HE1 HIS 71 1HE HIS 71 -8.985 -8.447 13.046 474 HE2 HIS 71 2HE HIS 71 -9.101 -10.789 13.966 475 H LEU 72 H LEU 72 -3.677 -12.845 9.376 476 HA LEU 72 HA LEU 72 -4.003 -12.808 6.653 477 HB2 LEU 72 1HB LEU 72 -1.838 -12.822 7.839 478 HB3 LEU 72 2HB LEU 72 -2.060 -14.536 8.179 479 HG LEU 72 HG LEU 72 -2.250 -14.600 5.508 480 HD11 LEU 72 1HD1 LEU 72 -1.213 -12.945 4.391 481 HD12 LEU 72 2HD1 LEU 72 -0.036 -12.669 5.674 482 HD13 LEU 72 3HD1 LEU 72 -1.657 -11.988 5.805 483 HD21 LEU 72 1HD2 LEU 72 0.534 -14.558 6.107 484 HD22 LEU 72 2HD2 LEU 72 -0.525 -15.947 5.864 485 HD23 LEU 72 3HD2 LEU 72 -0.330 -15.258 7.476 486 HA PRO 73 HA PRO 73 -6.475 -16.464 5.998 487 HB2 PRO 73 1HB PRO 73 -6.664 -16.175 3.305 488 HB3 PRO 73 2HB PRO 73 -7.625 -15.224 4.443 489 HG2 PRO 73 1HG PRO 73 -5.116 -14.473 2.992 490 HG3 PRO 73 2HG PRO 73 -6.582 -13.513 3.264 491 HD2 PRO 73 1HD PRO 73 -4.338 -13.198 4.747 492 HD3 PRO 73 2HD PRO 73 -5.965 -12.948 5.411 493 H GLN 74 H GLN 74 -6.347 -18.261 4.215 494 HA GLN 74 HA GLN 74 -3.667 -18.828 3.287 495 HB2 GLN 74 1HB GLN 74 -4.878 -20.180 5.640 496 HB3 GLN 74 2HB GLN 74 -4.015 -21.194 4.490 497 HG2 GLN 74 1HG GLN 74 -2.847 -18.753 5.804 498 HG3 GLN 74 2HG GLN 74 -2.637 -20.401 6.394 499 HE21 GLN 74 1HE2 GLN 74 -0.854 -18.232 5.160 500 HE22 GLN 74 2HE2 GLN 74 0.062 -19.095 3.977 501 H THR 75 H THR 75 -3.611 -20.305 1.626 502 HA THR 75 HA THR 75 -5.677 -20.590 -0.089 503 HB THR 75 HB THR 75 -4.586 -22.632 -0.990 504 HG1 THR 75 1HG THR 75 -2.683 -23.360 0.093 505 HG21 THR 75 1HG2 THR 75 -2.468 -21.584 -1.566 506 HG22 THR 75 2HG2 THR 75 -2.637 -20.456 -0.221 507 HG23 THR 75 3HG2 THR 75 -3.759 -20.384 -1.579 508 H ASP 76 H ASP 76 -7.075 -22.380 -0.676 509 HA ASP 76 HA ASP 76 -7.952 -23.935 1.671 510 HB2 ASP 76 1HB ASP 76 -9.547 -22.554 -0.474 511 HB3 ASP 76 2HB ASP 76 -10.231 -23.884 0.456 512 H SER 77 H SER 77 -7.339 -25.977 1.400 513 HA SER 77 HA SER 77 -6.800 -27.156 -1.121 514 HB2 SER 77 1HB SER 77 -7.208 -28.436 1.593 515 HB3 SER 77 2HB SER 77 -6.580 -29.269 0.171 516 HG SER 77 HG SER 77 -5.395 -27.232 1.709 517 H GLY 78 H GLY 78 -8.752 -26.779 -2.301 518 HA2 GLY 78 1HA GLY 78 -10.451 -28.977 -2.490 519 HA3 GLY 78 2HA GLY 78 -11.272 -27.786 -1.492 520 HA PRO 79 HA PRO 79 -10.986 -26.568 -6.205 521 HB2 PRO 79 1HB PRO 79 -12.266 -28.514 -7.598 522 HB3 PRO 79 2HB PRO 79 -10.516 -28.502 -7.351 523 HG2 PRO 79 1HG PRO 79 -12.626 -30.039 -5.885 524 HG3 PRO 79 2HG PRO 79 -11.038 -30.584 -6.456 525 HD2 PRO 79 1HD PRO 79 -11.503 -29.902 -3.878 526 HD3 PRO 79 2HD PRO 79 -9.932 -29.648 -4.664 527 H SER 80 H SER 80 -13.242 -27.503 -3.944 528 HA SER 80 HA SER 80 -15.390 -26.106 -5.395 529 HB2 SER 80 1HB SER 80 -15.748 -28.450 -3.512 530 HB3 SER 80 2HB SER 80 -17.037 -27.580 -4.343 531 HG SER 80 HG SER 80 -14.992 -28.622 -5.915 532 H SER 81 H SER 81 -15.706 -24.216 -4.438 533 HA SER 81 HA SER 81 -16.150 -24.112 -1.572 534 HB2 SER 81 1HB SER 81 -13.821 -23.672 -1.515 535 HB3 SER 81 2HB SER 81 -13.902 -22.634 -2.938 536 HG SER 81 HG SER 81 -13.750 -21.417 -1.012 537 H GLY 82 H GLY 82 -17.551 -22.512 -0.970 538 HA2 GLY 82 1HA GLY 82 -18.963 -21.181 -3.117 539 HA3 GLY 82 2HA GLY 82 -19.403 -21.177 -1.416 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -13.529 26.876 -39.328 2 HA2 GLY 1 1HA GLY 1 -15.806 27.690 -38.256 3 HA3 GLY 1 2HA GLY 1 -16.381 26.279 -39.130 4 H SER 2 H SER 2 -14.448 24.435 -38.748 5 HA SER 2 HA SER 2 -14.293 24.179 -35.815 6 HB2 SER 2 1HB SER 2 -15.980 22.650 -36.667 7 HB3 SER 2 2HB SER 2 -14.846 22.016 -37.860 8 HG SER 2 HG SER 2 -14.757 21.741 -35.043 9 H SER 3 H SER 3 -12.502 23.018 -34.970 10 HA SER 3 HA SER 3 -10.305 22.460 -36.822 11 HB2 SER 3 1HB SER 3 -10.249 24.452 -34.569 12 HB3 SER 3 2HB SER 3 -8.774 23.641 -35.092 13 HG SER 3 HG SER 3 -8.781 25.321 -36.409 14 H GLY 4 H GLY 4 -8.481 21.320 -35.713 15 HA2 GLY 4 1HA GLY 4 -9.461 19.730 -33.424 16 HA3 GLY 4 2HA GLY 4 -8.681 18.971 -34.804 17 H SER 5 H SER 5 -8.021 19.234 -31.845 18 HA SER 5 HA SER 5 -5.184 19.644 -32.240 19 HB2 SER 5 1HB SER 5 -6.879 21.517 -30.638 20 HB3 SER 5 2HB SER 5 -5.249 21.152 -30.072 21 HG SER 5 HG SER 5 -5.289 22.973 -31.457 22 H SER 6 H SER 6 -3.900 18.804 -30.524 23 HA SER 6 HA SER 6 -5.073 17.614 -28.212 24 HB2 SER 6 1HB SER 6 -5.788 15.982 -29.938 25 HB3 SER 6 2HB SER 6 -4.098 15.728 -30.371 26 HG SER 6 HG SER 6 -4.260 14.218 -28.900 27 H GLY 7 H GLY 7 -3.425 16.256 -27.010 28 HA2 GLY 7 1HA GLY 7 -0.656 16.826 -27.744 29 HA3 GLY 7 2HA GLY 7 -1.237 17.530 -26.242 30 H GLN 8 H GLN 8 0.600 16.204 -25.409 31 HA GLN 8 HA GLN 8 -0.373 13.928 -24.073 32 HB2 GLN 8 1HB GLN 8 0.098 13.139 -26.531 33 HB3 GLN 8 2HB GLN 8 1.775 13.138 -26.002 34 HG2 GLN 8 1HG GLN 8 1.122 10.963 -25.621 35 HG3 GLN 8 2HG GLN 8 0.914 11.707 -24.037 36 HE21 GLN 8 1HE2 GLN 8 -0.686 10.400 -26.827 37 HE22 GLN 8 2HE2 GLN 8 -2.260 10.285 -26.124 38 H HIS 9 H HIS 9 0.757 13.720 -22.248 39 HA HIS 9 HA HIS 9 3.587 14.012 -22.104 40 HB2 HIS 9 1HB HIS 9 3.518 15.979 -20.511 41 HB3 HIS 9 2HB HIS 9 3.205 16.360 -22.202 42 HD1 HIS 9 1HD HIS 9 2.025 17.253 -19.030 43 HD2 HIS 9 2HD HIS 9 0.141 16.226 -22.588 44 HE1 HIS 9 1HE HIS 9 -0.303 18.189 -18.853 45 H GLN 10 H GLN 10 4.057 12.441 -20.726 46 HA GLN 10 HA GLN 10 2.976 12.438 -18.065 47 HB2 GLN 10 1HB GLN 10 2.133 10.387 -20.074 48 HB3 GLN 10 2HB GLN 10 2.333 9.913 -18.392 49 HG2 GLN 10 1HG GLN 10 0.777 11.827 -17.816 50 HG3 GLN 10 2HG GLN 10 0.422 11.919 -19.541 51 HE21 GLN 10 1HE2 GLN 10 -1.648 11.249 -19.541 52 HE22 GLN 10 2HE2 GLN 10 -2.170 9.688 -19.014 53 H GLU 11 H GLU 11 4.488 11.741 -16.691 54 HA GLU 11 HA GLU 11 6.523 9.857 -17.642 55 HB2 GLU 11 1HB GLU 11 8.330 11.169 -16.757 56 HB3 GLU 11 2HB GLU 11 7.399 12.182 -17.852 57 HG2 GLU 11 1HG GLU 11 6.201 13.064 -15.811 58 HG3 GLU 11 2HG GLU 11 7.431 12.244 -14.852 59 H ALA 12 H ALA 12 7.652 8.742 -15.942 60 HA ALA 12 HA ALA 12 5.953 7.970 -13.810 61 HB1 ALA 12 1HB ALA 12 7.478 6.323 -13.372 62 HB2 ALA 12 2HB ALA 12 7.899 6.697 -15.044 63 HB3 ALA 12 3HB ALA 12 8.863 7.357 -13.723 64 H GLY 13 H GLY 13 8.919 9.922 -13.939 65 HA2 GLY 13 1HA GLY 13 9.696 11.541 -12.501 66 HA3 GLY 13 2HA GLY 13 8.120 11.517 -11.724 67 H ALA 14 H ALA 14 7.884 10.509 -9.799 68 HA ALA 14 HA ALA 14 9.654 8.485 -8.855 69 HB1 ALA 14 1HB ALA 14 10.125 11.309 -8.020 70 HB2 ALA 14 2HB ALA 14 10.389 10.007 -6.860 71 HB3 ALA 14 3HB ALA 14 11.287 10.031 -8.378 72 H GLY 15 H GLY 15 8.308 7.230 -7.751 73 HA2 GLY 15 1HA GLY 15 5.948 8.378 -6.488 74 HA3 GLY 15 2HA GLY 15 6.287 6.667 -6.706 75 H ASP 16 H ASP 16 7.629 9.472 -4.960 76 HA ASP 16 HA ASP 16 8.345 7.684 -2.752 77 HB2 ASP 16 1HB ASP 16 9.636 9.652 -1.908 78 HB3 ASP 16 2HB ASP 16 10.155 9.088 -3.494 79 H LEU 17 H LEU 17 5.604 8.263 -3.150 80 HA LEU 17 HA LEU 17 5.042 9.820 -0.714 81 HB2 LEU 17 1HB LEU 17 3.071 9.650 -2.953 82 HB3 LEU 17 2HB LEU 17 3.197 10.847 -1.665 83 HG LEU 17 HG LEU 17 5.316 10.681 -3.772 84 HD11 LEU 17 1HD1 LEU 17 3.794 12.645 -4.744 85 HD12 LEU 17 2HD1 LEU 17 2.525 11.604 -4.099 86 HD13 LEU 17 3HD1 LEU 17 3.663 10.974 -5.291 87 HD21 LEU 17 1HD2 LEU 17 5.231 12.126 -1.552 88 HD22 LEU 17 2HD2 LEU 17 4.276 13.194 -2.581 89 HD23 LEU 17 3HD2 LEU 17 5.919 12.754 -3.049 90 H CYS 18 H CYS 18 3.762 8.871 0.765 91 HA CYS 18 HA CYS 18 3.370 6.234 1.035 92 HB2 CYS 18 1HB CYS 18 2.777 7.855 2.775 93 HB3 CYS 18 2HB CYS 18 1.367 8.353 1.844 94 H ALA 19 H ALA 19 1.619 4.752 0.724 95 HA ALA 19 HA ALA 19 0.190 5.249 -1.789 96 HB1 ALA 19 1HB ALA 19 0.329 3.033 -2.249 97 HB2 ALA 19 2HB ALA 19 1.717 3.154 -1.166 98 HB3 ALA 19 3HB ALA 19 0.173 2.557 -0.558 99 H LEU 20 H LEU 20 -0.303 4.593 1.597 100 HA LEU 20 HA LEU 20 -3.020 3.832 1.478 101 HB2 LEU 20 1HB LEU 20 -1.131 4.730 3.562 102 HB3 LEU 20 2HB LEU 20 -2.843 4.952 3.917 103 HG LEU 20 HG LEU 20 -1.996 2.871 4.864 104 HD11 LEU 20 1HD1 LEU 20 -3.577 1.422 3.115 105 HD12 LEU 20 2HD1 LEU 20 -4.187 3.071 2.982 106 HD13 LEU 20 3HD1 LEU 20 -4.118 2.282 4.557 107 HD21 LEU 20 1HD2 LEU 20 -1.502 1.026 3.125 108 HD22 LEU 20 2HD2 LEU 20 -0.232 2.184 3.523 109 HD23 LEU 20 3HD2 LEU 20 -1.160 2.369 2.034 110 H CYS 21 H CYS 21 -1.527 6.969 2.286 111 HA CYS 21 HA CYS 21 -4.118 8.263 1.820 112 HB2 CYS 21 1HB CYS 21 -3.046 10.244 2.907 113 HB3 CYS 21 2HB CYS 21 -3.138 8.826 3.946 114 H GLY 22 H GLY 22 -0.672 8.657 1.004 115 HA2 GLY 22 1HA GLY 22 -0.007 9.023 -1.287 116 HA3 GLY 22 2HA GLY 22 -1.527 9.866 -1.544 117 H GLU 23 H GLU 23 0.803 10.253 1.098 118 HA GLU 23 HA GLU 23 1.164 13.047 0.234 119 HB2 GLU 23 1HB GLU 23 1.069 11.865 3.009 120 HB3 GLU 23 2HB GLU 23 1.648 13.492 2.680 121 HG2 GLU 23 1HG GLU 23 -0.692 13.661 1.443 122 HG3 GLU 23 2HG GLU 23 -1.103 12.403 2.608 123 H HIS 24 H HIS 24 3.238 13.912 1.586 124 HA HIS 24 HA HIS 24 5.465 12.768 0.318 125 HB2 HIS 24 1HB HIS 24 5.064 15.148 1.412 126 HB3 HIS 24 2HB HIS 24 5.836 14.387 2.799 127 HD1 HIS 24 1HD HIS 24 8.250 13.187 2.114 128 HD2 HIS 24 2HD HIS 24 6.833 16.257 -0.299 129 HE1 HIS 24 1HE HIS 24 10.250 14.010 0.830 130 H LEU 25 H LEU 25 7.355 11.791 1.300 131 HA LEU 25 HA LEU 25 6.722 10.212 3.704 132 HB2 LEU 25 1HB LEU 25 8.080 9.342 1.166 133 HB3 LEU 25 2HB LEU 25 8.177 8.423 2.666 134 HG LEU 25 HG LEU 25 5.568 9.078 1.313 135 HD11 LEU 25 1HD1 LEU 25 6.597 7.787 -0.316 136 HD12 LEU 25 2HD1 LEU 25 5.740 6.590 0.654 137 HD13 LEU 25 3HD1 LEU 25 7.477 6.816 0.865 138 HD21 LEU 25 1HD2 LEU 25 4.967 8.432 3.408 139 HD22 LEU 25 2HD2 LEU 25 6.431 7.480 3.658 140 HD23 LEU 25 3HD2 LEU 25 5.119 6.838 2.668 141 H TYR 26 H TYR 26 8.374 9.865 5.165 142 HA TYR 26 HA TYR 26 10.854 11.376 4.661 143 HB2 TYR 26 1HB TYR 26 9.284 12.325 6.409 144 HB3 TYR 26 2HB TYR 26 9.615 10.889 7.372 145 HD1 TYR 26 1HD TYR 26 11.403 13.661 5.621 146 HD2 TYR 26 2HD TYR 26 11.363 10.939 8.891 147 HE1 TYR 26 1HE TYR 26 13.405 14.751 6.545 148 HE2 TYR 26 2HE TYR 26 13.364 12.023 9.825 149 HH TYR 26 HH TYR 26 15.402 13.544 8.535 150 H VAL 27 H VAL 27 12.661 10.627 6.199 151 HA VAL 27 HA VAL 27 13.386 8.021 5.564 152 HB VAL 27 HB VAL 27 14.387 9.628 7.919 153 HG11 VAL 27 1HG1 VAL 27 16.509 8.280 7.322 154 HG12 VAL 27 2HG1 VAL 27 15.220 7.479 8.224 155 HG13 VAL 27 3HG1 VAL 27 15.395 7.195 6.492 156 HG21 VAL 27 1HG2 VAL 27 14.494 10.848 5.762 157 HG22 VAL 27 2HG2 VAL 27 16.082 10.502 6.447 158 HG23 VAL 27 3HG2 VAL 27 15.470 9.534 5.106 159 H LEU 28 H LEU 28 12.502 9.212 8.813 160 HA LEU 28 HA LEU 28 12.093 6.524 9.766 161 HB2 LEU 28 1HB LEU 28 11.946 9.256 10.951 162 HB3 LEU 28 2HB LEU 28 11.173 7.914 11.793 163 HG LEU 28 HG LEU 28 14.086 7.923 11.023 164 HD11 LEU 28 1HD1 LEU 28 14.644 9.075 12.856 165 HD12 LEU 28 2HD1 LEU 28 13.414 8.286 13.843 166 HD13 LEU 28 3HD1 LEU 28 12.979 9.656 12.822 167 HD21 LEU 28 1HD2 LEU 28 12.871 6.354 13.247 168 HD22 LEU 28 2HD2 LEU 28 14.289 6.000 12.260 169 HD23 LEU 28 3HD2 LEU 28 12.671 5.790 11.588 170 H GLU 29 H GLU 29 10.306 8.278 7.767 171 HA GLU 29 HA GLU 29 7.782 7.199 8.825 172 HB2 GLU 29 1HB GLU 29 7.909 9.777 7.277 173 HB3 GLU 29 2HB GLU 29 6.577 9.141 8.233 174 HG2 GLU 29 1HG GLU 29 8.065 9.418 10.254 175 HG3 GLU 29 2HG GLU 29 9.154 10.330 9.210 176 H ARG 30 H ARG 30 9.067 5.604 7.201 177 HA ARG 30 HA ARG 30 7.399 5.488 4.876 178 HB2 ARG 30 1HB ARG 30 8.992 5.755 3.171 179 HB3 ARG 30 2HB ARG 30 9.305 7.089 4.273 180 HG2 ARG 30 1HG ARG 30 11.186 5.911 5.225 181 HG3 ARG 30 2HG ARG 30 10.840 4.499 4.225 182 HD2 ARG 30 1HD ARG 30 12.669 5.844 3.301 183 HD3 ARG 30 2HD ARG 30 11.281 5.790 2.214 184 HE ARG 30 HE ARG 30 10.864 8.058 3.619 185 HH11 ARG 30 2HH1 ARG 30 13.597 6.820 1.853 186 HH12 ARG 30 1HH1 ARG 30 14.190 8.387 1.415 187 HH21 ARG 30 2HH2 ARG 30 11.635 10.128 3.049 188 HH22 ARG 30 1HH2 ARG 30 13.074 10.268 2.097 189 H LEU 31 H LEU 31 7.092 3.420 4.291 190 HA LEU 31 HA LEU 31 8.918 1.405 5.424 191 HB2 LEU 31 1HB LEU 31 5.952 1.394 4.987 192 HB3 LEU 31 2HB LEU 31 6.857 -0.109 5.152 193 HG LEU 31 HG LEU 31 7.668 0.824 7.387 194 HD11 LEU 31 1HD1 LEU 31 5.216 2.464 7.491 195 HD12 LEU 31 2HD1 LEU 31 6.574 3.136 6.590 196 HD13 LEU 31 3HD1 LEU 31 6.774 2.693 8.285 197 HD21 LEU 31 1HD2 LEU 31 5.039 0.470 8.159 198 HD22 LEU 31 2HD2 LEU 31 6.248 -0.798 7.953 199 HD23 LEU 31 3HD2 LEU 31 5.148 -0.403 6.631 200 H CYS 32 H CYS 32 10.253 0.797 3.833 201 HA CYS 32 HA CYS 32 9.513 0.760 1.081 202 HB2 CYS 32 1HB CYS 32 11.726 -0.387 0.782 203 HB3 CYS 32 2HB CYS 32 11.814 1.150 1.634 204 HG CYS 32 HG CYS 32 12.051 -1.969 3.017 205 H VAL 33 H VAL 33 7.741 -0.580 0.816 206 HA VAL 33 HA VAL 33 8.255 -3.452 1.244 207 HB VAL 33 HB VAL 33 5.565 -2.079 1.291 208 HG11 VAL 33 1HG1 VAL 33 5.963 -4.835 2.298 209 HG12 VAL 33 2HG1 VAL 33 4.573 -4.112 1.487 210 HG13 VAL 33 3HG1 VAL 33 5.984 -4.607 0.550 211 HG21 VAL 33 1HG2 VAL 33 6.738 -1.473 3.275 212 HG22 VAL 33 2HG2 VAL 33 5.594 -2.742 3.710 213 HG23 VAL 33 3HG2 VAL 33 7.304 -3.125 3.517 214 H ASN 34 H ASN 34 8.451 -4.557 -0.580 215 HA ASN 34 HA ASN 34 8.427 -5.069 -2.805 216 HB2 ASN 34 1HB ASN 34 5.605 -4.439 -2.075 217 HB3 ASN 34 2HB ASN 34 5.980 -4.683 -3.778 218 HD21 ASN 34 1HD2 ASN 34 5.776 -6.148 -0.647 219 HD22 ASN 34 2HD2 ASN 34 5.912 -7.787 -1.177 220 H GLY 35 H GLY 35 9.366 -2.441 -2.234 221 HA2 GLY 35 1HA GLY 35 10.163 -0.775 -3.666 222 HA3 GLY 35 2HA GLY 35 8.971 -1.265 -4.861 223 H HIS 36 H HIS 36 6.786 -1.136 -2.863 224 HA HIS 36 HA HIS 36 6.185 1.663 -3.208 225 HB2 HIS 36 1HB HIS 36 4.557 -0.450 -1.784 226 HB3 HIS 36 2HB HIS 36 3.983 1.109 -2.369 227 HD1 HIS 36 1HD HIS 36 4.934 1.160 -5.213 228 HD2 HIS 36 2HD HIS 36 3.415 -2.268 -3.423 229 HE1 HIS 36 1HE HIS 36 4.144 -0.294 -7.107 230 H PHE 37 H PHE 37 5.815 3.179 -1.592 231 HA PHE 37 HA PHE 37 6.957 2.485 1.033 232 HB2 PHE 37 1HB PHE 37 6.888 5.177 -0.348 233 HB3 PHE 37 2HB PHE 37 7.582 4.858 1.238 234 HD1 PHE 37 1HD PHE 37 7.961 4.307 -2.373 235 HD2 PHE 37 2HD PHE 37 9.726 3.840 1.472 236 HE1 PHE 37 1HE PHE 37 10.117 3.771 -3.431 237 HE2 PHE 37 2HE PHE 37 11.884 3.304 0.420 238 HZ PHE 37 HZ PHE 37 12.082 3.269 -2.034 239 H PHE 38 H PHE 38 5.937 3.188 2.900 240 HA PHE 38 HA PHE 38 3.429 4.651 2.668 241 HB2 PHE 38 1HB PHE 38 3.432 2.071 4.212 242 HB3 PHE 38 2HB PHE 38 2.058 3.014 3.642 243 HD1 PHE 38 1HD PHE 38 5.029 1.266 2.207 244 HD2 PHE 38 2HD PHE 38 0.878 2.147 1.885 245 HE1 PHE 38 1HE PHE 38 4.885 -0.163 0.210 246 HE2 PHE 38 2HE PHE 38 0.726 0.718 -0.113 247 HZ PHE 38 HZ PHE 38 2.731 -0.440 -0.952 248 H HIS 39 H HIS 39 2.569 5.307 4.783 249 HA HIS 39 HA HIS 39 4.665 6.241 6.480 250 HB2 HIS 39 1HB HIS 39 1.663 6.432 6.571 251 HB3 HIS 39 2HB HIS 39 2.658 7.031 7.896 252 HD2 HIS 39 2HD HIS 39 4.970 8.527 6.091 253 HE1 HIS 39 1HE HIS 39 1.687 10.679 4.481 254 HE2 HIS 39 2HE HIS 39 4.192 10.573 4.712 255 H ARG 40 H ARG 40 5.004 5.774 8.685 256 HA ARG 40 HA ARG 40 4.880 3.038 9.353 257 HB2 ARG 40 1HB ARG 40 5.636 5.531 10.829 258 HB3 ARG 40 2HB ARG 40 5.468 4.020 11.712 259 HG2 ARG 40 1HG ARG 40 7.124 2.987 10.210 260 HG3 ARG 40 2HG ARG 40 7.326 4.544 9.403 261 HD2 ARG 40 1HD ARG 40 9.095 4.325 10.982 262 HD3 ARG 40 2HD ARG 40 7.959 5.512 11.622 263 HE ARG 40 HE ARG 40 7.143 3.183 12.744 264 HH11 ARG 40 2HH1 ARG 40 10.201 4.837 12.574 265 HH12 ARG 40 1HH1 ARG 40 10.763 4.228 14.096 266 HH21 ARG 40 2HH2 ARG 40 7.871 2.375 14.749 267 HH22 ARG 40 1HH2 ARG 40 9.437 2.827 15.332 268 H SER 41 H SER 41 2.578 5.519 9.615 269 HA SER 41 HA SER 41 1.103 4.148 11.742 270 HB2 SER 41 1HB SER 41 0.939 6.886 10.522 271 HB3 SER 41 2HB SER 41 -0.446 6.225 11.392 272 HG SER 41 HG SER 41 1.036 5.875 13.172 273 H CYS 42 H CYS 42 0.596 5.404 8.451 274 HA CYS 42 HA CYS 42 -1.980 4.456 8.040 275 HB2 CYS 42 1HB CYS 42 0.251 4.703 6.009 276 HB3 CYS 42 2HB CYS 42 -1.464 4.571 5.632 277 H PHE 43 H PHE 43 1.114 2.849 7.341 278 HA PHE 43 HA PHE 43 0.108 0.504 6.233 279 HB2 PHE 43 1HB PHE 43 2.523 1.228 6.313 280 HB3 PHE 43 2HB PHE 43 2.563 0.679 7.986 281 HD1 PHE 43 2HD PHE 43 2.144 -0.408 4.489 282 HD2 PHE 43 1HD PHE 43 2.766 -1.613 8.523 283 HE1 PHE 43 2HE PHE 43 2.671 -2.686 3.723 284 HE2 PHE 43 1HE PHE 43 3.295 -3.893 7.764 285 HZ PHE 43 HZ PHE 43 3.246 -4.433 5.362 286 H ARG 44 H ARG 44 -1.548 -0.541 7.181 287 HA ARG 44 HA ARG 44 -1.033 -1.814 9.750 288 HB2 ARG 44 1HB ARG 44 -3.610 -0.317 9.264 289 HB3 ARG 44 2HB ARG 44 -3.119 -1.142 10.738 290 HG2 ARG 44 1HG ARG 44 -1.550 0.500 11.276 291 HG3 ARG 44 2HG ARG 44 -1.539 1.152 9.636 292 HD2 ARG 44 1HD ARG 44 -3.613 2.191 9.909 293 HD3 ARG 44 2HD ARG 44 -4.025 1.202 11.309 294 HE ARG 44 HE ARG 44 -1.778 2.678 11.991 295 HH11 ARG 44 2HH1 ARG 44 -5.092 3.269 11.105 296 HH12 ARG 44 1HH1 ARG 44 -5.213 4.732 12.024 297 HH21 ARG 44 2HH2 ARG 44 -1.925 4.603 13.205 298 HH22 ARG 44 1HH2 ARG 44 -3.411 5.491 13.217 299 H CYS 45 H CYS 45 -2.908 -3.376 10.265 300 HA CYS 45 HA CYS 45 -3.067 -5.311 8.304 301 HB2 CYS 45 1HB CYS 45 -3.581 -5.588 10.756 302 HB3 CYS 45 2HB CYS 45 -5.159 -4.873 10.440 303 H HIS 46 H HIS 46 -5.049 -6.155 7.225 304 HA HIS 46 HA HIS 46 -6.509 -3.925 5.994 305 HB2 HIS 46 1HB HIS 46 -5.271 -5.301 4.421 306 HB3 HIS 46 2HB HIS 46 -6.048 -6.758 5.036 307 HD1 HIS 46 1HD HIS 46 -6.504 -3.971 2.662 308 HD2 HIS 46 2HD HIS 46 -8.802 -7.021 4.300 309 HE1 HIS 46 1HE HIS 46 -8.564 -4.106 1.226 310 H THR 47 H THR 47 -6.933 -6.088 8.404 311 HA THR 47 HA THR 47 -9.838 -6.263 7.924 312 HB THR 47 HB THR 47 -7.989 -8.265 9.206 313 HG1 THR 47 1HG THR 47 -10.039 -8.556 7.246 314 HG21 THR 47 1HG2 THR 47 -9.917 -7.891 10.709 315 HG22 THR 47 2HG2 THR 47 -9.927 -9.500 9.986 316 HG23 THR 47 3HG2 THR 47 -11.005 -8.248 9.368 317 H CYS 48 H CYS 48 -7.257 -5.654 10.212 318 HA CYS 48 HA CYS 48 -9.258 -4.620 12.113 319 HB2 CYS 48 1HB CYS 48 -7.637 -5.136 13.917 320 HB3 CYS 48 2HB CYS 48 -8.173 -6.575 13.057 321 H GLU 49 H GLU 49 -6.788 -3.833 10.021 322 HA GLU 49 HA GLU 49 -5.491 -1.991 9.681 323 HB2 GLU 49 1HB GLU 49 -7.543 -0.569 11.378 324 HB3 GLU 49 2HB GLU 49 -6.515 0.133 10.136 325 HG2 GLU 49 1HG GLU 49 -8.439 -0.050 8.957 326 HG3 GLU 49 2HG GLU 49 -7.750 -1.636 8.615 327 H ALA 50 H ALA 50 -4.388 -3.498 11.588 328 HA ALA 50 HA ALA 50 -3.742 -1.730 13.838 329 HB1 ALA 50 1HB ALA 50 -3.386 -4.682 13.406 330 HB2 ALA 50 2HB ALA 50 -2.606 -3.820 14.733 331 HB3 ALA 50 3HB ALA 50 -4.365 -3.859 14.620 332 H THR 51 H THR 51 -1.731 -0.926 14.170 333 HA THR 51 HA THR 51 0.003 -0.427 12.114 334 HB THR 51 HB THR 51 0.860 -0.746 14.996 335 HG1 THR 51 1HG THR 51 -0.994 0.837 14.063 336 HG21 THR 51 1HG2 THR 51 2.429 1.127 14.318 337 HG22 THR 51 2HG2 THR 51 1.983 0.773 12.649 338 HG23 THR 51 3HG2 THR 51 2.777 -0.458 13.630 339 H LEU 52 H LEU 52 0.575 -2.123 10.816 340 HA LEU 52 HA LEU 52 1.500 -4.626 11.788 341 HB2 LEU 52 1HB LEU 52 1.821 -3.333 9.084 342 HB3 LEU 52 2HB LEU 52 2.200 -5.015 9.450 343 HG LEU 52 HG LEU 52 -0.535 -3.743 9.538 344 HD11 LEU 52 1HD1 LEU 52 0.852 -4.515 7.336 345 HD12 LEU 52 2HD1 LEU 52 -0.906 -4.519 7.469 346 HD13 LEU 52 3HD1 LEU 52 0.003 -6.004 7.752 347 HD21 LEU 52 1HD2 LEU 52 0.253 -6.622 9.968 348 HD22 LEU 52 2HD2 LEU 52 -1.378 -5.952 10.014 349 HD23 LEU 52 3HD2 LEU 52 -0.202 -5.498 11.249 350 H TRP 53 H TRP 53 3.164 -4.218 13.256 351 HA TRP 53 HA TRP 53 5.405 -2.613 12.802 352 HB2 TRP 53 1HB TRP 53 5.610 -5.139 14.408 353 HB3 TRP 53 2HB TRP 53 6.314 -3.556 14.728 354 HD1 TRP 53 HD TRP 53 3.016 -5.486 15.068 355 HE1 TRP 53 1HE TRP 53 1.520 -4.254 16.761 356 HE3 TRP 53 3HE TRP 53 5.858 -1.293 15.760 357 HZ2 TRP 53 2HZ TRP 53 1.541 -1.825 18.200 358 HZ3 TRP 53 3HZ TRP 53 5.048 0.437 17.312 359 HH2 TRP 53 HH TRP 53 2.934 0.175 18.504 360 HA PRO 54 HA PRO 54 7.914 -4.807 9.946 361 HB2 PRO 54 1HB PRO 54 10.400 -4.182 10.842 362 HB3 PRO 54 2HB PRO 54 9.354 -3.018 10.020 363 HG2 PRO 54 1HG PRO 54 9.856 -3.375 12.950 364 HG3 PRO 54 2HG PRO 54 9.748 -1.877 12.008 365 HD2 PRO 54 1HD PRO 54 7.697 -2.802 13.514 366 HD3 PRO 54 2HD PRO 54 7.443 -1.893 12.010 367 H GLY 55 H GLY 55 7.163 -6.913 10.784 368 HA2 GLY 55 1HA GLY 55 8.771 -8.926 10.978 369 HA3 GLY 55 2HA GLY 55 9.099 -8.236 12.560 370 H GLY 56 H GLY 56 5.957 -7.543 11.982 371 HA2 GLY 56 1HA GLY 56 5.016 -10.111 13.099 372 HA3 GLY 56 2HA GLY 56 4.520 -8.574 13.792 373 H TYR 57 H TYR 57 4.831 -9.537 10.390 374 HA TYR 57 HA TYR 57 1.975 -9.670 10.036 375 HB2 TYR 57 1HB TYR 57 1.704 -7.795 8.596 376 HB3 TYR 57 2HB TYR 57 2.534 -7.198 10.029 377 HD1 TYR 57 2HD TYR 57 5.085 -6.954 9.898 378 HD2 TYR 57 1HD TYR 57 2.611 -7.445 6.471 379 HE1 TYR 57 2HE TYR 57 6.872 -6.031 8.482 380 HE2 TYR 57 1HE TYR 57 4.392 -6.525 5.046 381 HH TYR 57 HH TYR 57 6.500 -4.820 5.605 382 H GLU 58 H GLU 58 1.489 -9.845 7.574 383 HA GLU 58 HA GLU 58 3.638 -10.889 5.964 384 HB2 GLU 58 1HB GLU 58 1.515 -12.706 7.096 385 HB3 GLU 58 2HB GLU 58 2.418 -13.105 5.642 386 HG2 GLU 58 1HG GLU 58 4.516 -12.838 7.005 387 HG3 GLU 58 2HG GLU 58 3.479 -12.747 8.428 388 H GLN 59 H GLN 59 3.056 -11.186 3.778 389 HA GLN 59 HA GLN 59 0.511 -9.898 3.066 390 HB2 GLN 59 1HB GLN 59 2.427 -8.681 2.250 391 HB3 GLN 59 2HB GLN 59 3.106 -10.139 1.538 392 HG2 GLN 59 1HG GLN 59 0.797 -10.121 0.236 393 HG3 GLN 59 2HG GLN 59 0.914 -8.396 0.576 394 HE21 GLN 59 1HE2 GLN 59 0.925 -8.690 -1.914 395 HE22 GLN 59 2HE2 GLN 59 2.493 -8.700 -2.639 396 H HIS 60 H HIS 60 -0.975 -11.446 2.759 397 HA HIS 60 HA HIS 60 -0.499 -14.068 1.918 398 HB2 HIS 60 1HB HIS 60 -2.600 -13.090 3.013 399 HB3 HIS 60 2HB HIS 60 -3.073 -12.591 1.391 400 HD1 HIS 60 1HD HIS 60 -4.060 -14.352 -0.125 401 HD2 HIS 60 2HD HIS 60 -2.504 -15.931 3.389 402 HE1 HIS 60 1HE HIS 60 -4.807 -16.753 -0.078 403 HA PRO 61 HA PRO 61 0.381 -13.427 -2.382 404 HB2 PRO 61 1HB PRO 61 0.378 -16.046 -3.096 405 HB3 PRO 61 2HB PRO 61 1.715 -15.291 -2.220 406 HG2 PRO 61 1HG PRO 61 -0.533 -16.967 -1.170 407 HG3 PRO 61 2HG PRO 61 1.190 -17.017 -0.752 408 HD2 PRO 61 1HD PRO 61 -0.653 -15.787 0.805 409 HD3 PRO 61 2HD PRO 61 1.023 -15.216 0.677 410 H GLY 62 H GLY 62 -2.297 -15.425 -1.239 411 HA2 GLY 62 1HA GLY 62 -3.687 -16.006 -3.503 412 HA3 GLY 62 2HA GLY 62 -4.472 -15.535 -2.003 413 H ASP 63 H ASP 63 -4.819 -13.219 -1.644 414 HA ASP 63 HA ASP 63 -5.888 -11.993 -3.999 415 HB2 ASP 63 1HB ASP 63 -5.788 -11.293 -1.091 416 HB3 ASP 63 2HB ASP 63 -6.215 -10.045 -2.258 417 H GLY 64 H GLY 64 -3.331 -11.047 -1.696 418 HA2 GLY 64 1HA GLY 64 -1.201 -10.292 -2.683 419 HA3 GLY 64 2HA GLY 64 -2.161 -9.412 -3.862 420 H HIS 65 H HIS 65 -2.701 -9.623 -0.375 421 HA HIS 65 HA HIS 65 -2.071 -6.753 -0.175 422 HB2 HIS 65 1HB HIS 65 -4.335 -8.175 1.239 423 HB3 HIS 65 2HB HIS 65 -3.941 -6.463 1.362 424 HD1 HIS 65 1HD HIS 65 -5.639 -5.172 0.129 425 HD2 HIS 65 2HD HIS 65 -4.664 -8.699 -1.839 426 HE1 HIS 65 1HE HIS 65 -6.981 -5.149 -1.998 427 H PHE 66 H PHE 66 -2.249 -6.279 2.430 428 HA PHE 66 HA PHE 66 -0.386 -8.206 3.655 429 HB2 PHE 66 1HB PHE 66 -0.515 -5.199 3.912 430 HB3 PHE 66 2HB PHE 66 0.449 -6.218 4.977 431 HD1 PHE 66 2HD PHE 66 0.002 -5.153 1.468 432 HD2 PHE 66 1HD PHE 66 2.555 -7.023 4.313 433 HE1 PHE 66 2HE PHE 66 1.851 -5.089 -0.154 434 HE2 PHE 66 1HE PHE 66 4.409 -6.961 2.696 435 HZ PHE 66 HZ PHE 66 4.058 -5.994 0.459 436 H TYR 67 H TYR 67 -1.034 -9.157 5.469 437 HA TYR 67 HA TYR 67 -3.090 -7.843 7.107 438 HB2 TYR 67 1HB TYR 67 -3.079 -10.805 6.520 439 HB3 TYR 67 2HB TYR 67 -4.317 -9.885 7.368 440 HD1 TYR 67 2HD TYR 67 -2.790 -10.506 4.061 441 HD2 TYR 67 1HD TYR 67 -6.035 -8.749 6.180 442 HE1 TYR 67 2HE TYR 67 -3.989 -10.175 1.939 443 HE2 TYR 67 1HE TYR 67 -7.243 -8.415 4.064 444 HH TYR 67 HH TYR 67 -5.978 -9.652 1.011 445 H CYS 68 H CYS 68 -3.252 -8.816 9.311 446 HA CYS 68 HA CYS 68 -0.625 -9.029 10.445 447 HB2 CYS 68 1HB CYS 68 -1.761 -9.065 12.591 448 HB3 CYS 68 2HB CYS 68 -2.470 -7.817 11.571 449 H LEU 69 H LEU 69 -0.240 -10.759 12.173 450 HA LEU 69 HA LEU 69 -0.402 -13.319 10.879 451 HB2 LEU 69 1HB LEU 69 0.564 -12.901 13.680 452 HB3 LEU 69 2HB LEU 69 1.098 -14.082 12.486 453 HG LEU 69 HG LEU 69 1.704 -11.126 12.473 454 HD11 LEU 69 1HD1 LEU 69 3.846 -13.142 12.572 455 HD12 LEU 69 2HD1 LEU 69 2.862 -12.999 14.028 456 HD13 LEU 69 3HD1 LEU 69 3.705 -11.587 13.392 457 HD21 LEU 69 1HD2 LEU 69 1.426 -12.062 10.209 458 HD22 LEU 69 2HD2 LEU 69 2.637 -13.288 10.586 459 HD23 LEU 69 3HD2 LEU 69 3.091 -11.584 10.544 460 H GLN 70 H GLN 70 -2.763 -11.788 12.258 461 HA GLN 70 HA GLN 70 -3.799 -14.155 13.674 462 HB2 GLN 70 1HB GLN 70 -3.405 -12.318 15.240 463 HB3 GLN 70 2HB GLN 70 -4.387 -11.246 14.250 464 HG2 GLN 70 1HG GLN 70 -6.368 -12.365 14.803 465 HG3 GLN 70 2HG GLN 70 -5.500 -13.764 15.432 466 HE21 GLN 70 1HE2 GLN 70 -6.724 -13.566 17.357 467 HE22 GLN 70 2HE2 GLN 70 -6.317 -12.381 18.547 468 H HIS 71 H HIS 71 -4.127 -12.105 11.043 469 HA HIS 71 HA HIS 71 -6.896 -13.015 10.613 470 HB2 HIS 71 1HB HIS 71 -5.663 -10.323 10.130 471 HB3 HIS 71 2HB HIS 71 -7.016 -10.860 9.140 472 HD2 HIS 71 2HD HIS 71 -8.011 -12.279 12.333 473 HE1 HIS 71 1HE HIS 71 -9.214 -8.223 12.658 474 HE2 HIS 71 2HE HIS 71 -9.371 -10.527 13.664 475 H LEU 72 H LEU 72 -3.694 -12.769 9.440 476 HA LEU 72 HA LEU 72 -3.962 -12.864 6.697 477 HB2 LEU 72 1HB LEU 72 -1.828 -12.754 7.958 478 HB3 LEU 72 2HB LEU 72 -2.004 -14.466 8.337 479 HG LEU 72 HG LEU 72 -2.121 -14.618 5.672 480 HD11 LEU 72 1HD1 LEU 72 -1.802 -12.518 4.878 481 HD12 LEU 72 2HD1 LEU 72 -0.113 -12.989 5.053 482 HD13 LEU 72 3HD1 LEU 72 -0.884 -12.000 6.292 483 HD21 LEU 72 1HD2 LEU 72 0.440 -14.375 7.246 484 HD22 LEU 72 2HD2 LEU 72 0.227 -15.223 5.714 485 HD23 LEU 72 3HD2 LEU 72 -0.578 -15.813 7.169 486 HA PRO 73 HA PRO 73 -6.321 -16.627 6.232 487 HB2 PRO 73 1HB PRO 73 -6.507 -16.483 3.527 488 HB3 PRO 73 2HB PRO 73 -7.506 -15.508 4.612 489 HG2 PRO 73 1HG PRO 73 -5.017 -14.747 3.133 490 HG3 PRO 73 2HG PRO 73 -6.515 -13.825 3.350 491 HD2 PRO 73 1HD PRO 73 -4.291 -13.358 4.822 492 HD3 PRO 73 2HD PRO 73 -5.929 -13.130 5.468 493 H GLN 74 H GLN 74 -6.123 -18.513 4.558 494 HA GLN 74 HA GLN 74 -3.424 -19.033 3.659 495 HB2 GLN 74 1HB GLN 74 -4.586 -20.296 6.084 496 HB3 GLN 74 2HB GLN 74 -3.684 -21.339 4.992 497 HG2 GLN 74 1HG GLN 74 -2.649 -18.820 6.275 498 HG3 GLN 74 2HG GLN 74 -2.280 -20.468 6.782 499 HE21 GLN 74 1HE2 GLN 74 -0.174 -18.999 6.290 500 HE22 GLN 74 2HE2 GLN 74 0.554 -19.381 4.771 501 H THR 75 H THR 75 -3.793 -19.724 1.662 502 HA THR 75 HA THR 75 -6.223 -21.100 0.952 503 HB THR 75 HB THR 75 -5.327 -19.531 -0.645 504 HG1 THR 75 1HG THR 75 -4.975 -22.216 -1.545 505 HG21 THR 75 1HG2 THR 75 -3.007 -19.495 -0.183 506 HG22 THR 75 2HG2 THR 75 -3.154 -20.124 -1.824 507 HG23 THR 75 3HG2 THR 75 -2.844 -21.225 -0.482 508 H ASP 76 H ASP 76 -2.901 -21.943 1.603 509 HA ASP 76 HA ASP 76 -1.750 -23.933 1.368 510 HB2 ASP 76 1HB ASP 76 -2.857 -25.741 2.710 511 HB3 ASP 76 2HB ASP 76 -2.757 -24.187 3.533 512 H SER 77 H SER 77 -2.916 -23.414 -1.053 513 HA SER 77 HA SER 77 -3.894 -24.337 -2.927 514 HB2 SER 77 1HB SER 77 -1.560 -25.247 -2.802 515 HB3 SER 77 2HB SER 77 -2.218 -26.695 -2.039 516 HG SER 77 HG SER 77 -1.930 -26.823 -4.365 517 H GLY 78 H GLY 78 -5.846 -24.449 -1.171 518 HA2 GLY 78 1HA GLY 78 -6.745 -27.120 -0.603 519 HA3 GLY 78 2HA GLY 78 -7.657 -25.637 -0.359 520 HA PRO 79 HA PRO 79 -9.001 -28.113 -4.226 521 HB2 PRO 79 1HB PRO 79 -11.152 -29.409 -3.194 522 HB3 PRO 79 2HB PRO 79 -9.529 -30.109 -3.217 523 HG2 PRO 79 1HG PRO 79 -10.972 -28.745 -0.977 524 HG3 PRO 79 2HG PRO 79 -9.986 -30.218 -0.939 525 HD2 PRO 79 1HD PRO 79 -9.040 -27.811 -0.138 526 HD3 PRO 79 2HD PRO 79 -8.005 -29.041 -0.891 527 H SER 80 H SER 80 -9.804 -26.366 -5.270 528 HA SER 80 HA SER 80 -12.441 -25.385 -4.403 529 HB2 SER 80 1HB SER 80 -10.085 -23.754 -5.365 530 HB3 SER 80 2HB SER 80 -11.730 -23.123 -5.297 531 HG SER 80 HG SER 80 -9.929 -23.489 -3.292 532 H SER 81 H SER 81 -13.813 -26.139 -5.881 533 HA SER 81 HA SER 81 -13.364 -25.464 -8.676 534 HB2 SER 81 1HB SER 81 -13.777 -27.701 -9.498 535 HB3 SER 81 2HB SER 81 -12.431 -27.764 -8.360 536 HG SER 81 HG SER 81 -15.128 -28.504 -7.890 537 H GLY 82 H GLY 82 -15.328 -25.794 -10.001 538 HA2 GLY 82 1HA GLY 82 -17.801 -25.886 -8.409 539 HA3 GLY 82 2HA GLY 82 -17.505 -24.511 -9.463 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -22.755 16.912 -35.187 2 HA2 GLY 1 1HA GLY 1 -23.452 14.160 -35.426 3 HA3 GLY 1 2HA GLY 1 -21.745 14.406 -35.765 4 H SER 2 H SER 2 -20.926 13.381 -33.987 5 HA SER 2 HA SER 2 -21.468 14.691 -31.407 6 HB2 SER 2 1HB SER 2 -21.372 11.759 -32.049 7 HB3 SER 2 2HB SER 2 -20.945 12.327 -30.436 8 HG SER 2 HG SER 2 -23.043 12.163 -30.179 9 H SER 3 H SER 3 -19.585 15.964 -31.865 10 HA SER 3 HA SER 3 -17.118 14.559 -31.144 11 HB2 SER 3 1HB SER 3 -17.404 16.451 -33.489 12 HB3 SER 3 2HB SER 3 -15.860 15.901 -32.840 13 HG SER 3 HG SER 3 -17.680 13.907 -33.427 14 H GLY 4 H GLY 4 -15.485 15.932 -30.224 15 HA2 GLY 4 1HA GLY 4 -14.887 18.263 -29.608 16 HA3 GLY 4 2HA GLY 4 -16.583 18.478 -29.199 17 H SER 5 H SER 5 -13.516 17.296 -28.159 18 HA SER 5 HA SER 5 -14.525 17.077 -25.442 19 HB2 SER 5 1HB SER 5 -13.023 14.784 -26.729 20 HB3 SER 5 2HB SER 5 -13.586 14.861 -25.059 21 HG SER 5 HG SER 5 -15.250 14.925 -27.360 22 H SER 6 H SER 6 -12.716 16.785 -23.864 23 HA SER 6 HA SER 6 -10.056 17.434 -24.777 24 HB2 SER 6 1HB SER 6 -9.861 19.547 -23.596 25 HB3 SER 6 2HB SER 6 -11.195 19.650 -24.745 26 HG SER 6 HG SER 6 -11.780 18.810 -22.150 27 H GLY 7 H GLY 7 -8.470 17.080 -23.213 28 HA2 GLY 7 1HA GLY 7 -9.096 16.618 -20.464 29 HA3 GLY 7 2HA GLY 7 -8.899 15.107 -21.340 30 H GLN 8 H GLN 8 -7.309 16.679 -19.220 31 HA GLN 8 HA GLN 8 -4.705 16.222 -20.492 32 HB2 GLN 8 1HB GLN 8 -5.702 18.724 -19.242 33 HB3 GLN 8 2HB GLN 8 -4.042 18.266 -18.888 34 HG2 GLN 8 1HG GLN 8 -5.027 18.340 -21.708 35 HG3 GLN 8 2HG GLN 8 -4.526 19.818 -20.887 36 HE21 GLN 8 1HE2 GLN 8 -3.509 17.431 -22.872 37 HE22 GLN 8 2HE2 GLN 8 -1.809 17.495 -22.569 38 H HIS 9 H HIS 9 -3.112 15.415 -19.155 39 HA HIS 9 HA HIS 9 -3.943 14.777 -16.401 40 HB2 HIS 9 1HB HIS 9 -2.613 12.678 -16.629 41 HB3 HIS 9 2HB HIS 9 -4.007 12.746 -17.703 42 HD1 HIS 9 1HD HIS 9 -2.958 11.092 -19.370 43 HD2 HIS 9 2HD HIS 9 -0.707 14.532 -18.771 44 HE1 HIS 9 1HE HIS 9 -1.227 11.089 -21.194 45 H GLN 10 H GLN 10 -1.887 14.014 -15.114 46 HA GLN 10 HA GLN 10 0.330 15.853 -15.713 47 HB2 GLN 10 1HB GLN 10 0.545 16.316 -13.307 48 HB3 GLN 10 2HB GLN 10 -1.016 16.829 -13.934 49 HG2 GLN 10 1HG GLN 10 -2.056 14.831 -13.012 50 HG3 GLN 10 2HG GLN 10 -0.493 14.290 -12.405 51 HE21 GLN 10 1HE2 GLN 10 -1.355 14.253 -10.298 52 HE22 GLN 10 2HE2 GLN 10 -1.575 15.710 -9.396 53 H GLU 11 H GLU 11 2.366 15.273 -14.604 54 HA GLU 11 HA GLU 11 2.575 12.369 -14.153 55 HB2 GLU 11 1HB GLU 11 3.548 13.465 -16.358 56 HB3 GLU 11 2HB GLU 11 4.880 13.886 -15.291 57 HG2 GLU 11 1HG GLU 11 5.413 11.839 -16.381 58 HG3 GLU 11 2HG GLU 11 5.082 11.489 -14.685 59 H ALA 12 H ALA 12 4.182 11.676 -12.680 60 HA ALA 12 HA ALA 12 4.932 13.749 -10.735 61 HB1 ALA 12 1HB ALA 12 5.395 11.364 -9.479 62 HB2 ALA 12 2HB ALA 12 3.917 12.318 -9.346 63 HB3 ALA 12 3HB ALA 12 4.007 10.987 -10.500 64 H GLY 13 H GLY 13 7.024 13.688 -9.756 65 HA2 GLY 13 1HA GLY 13 9.060 12.552 -11.561 66 HA3 GLY 13 2HA GLY 13 9.290 13.967 -10.545 67 H ALA 14 H ALA 14 8.725 13.333 -8.094 68 HA ALA 14 HA ALA 14 10.457 11.029 -7.506 69 HB1 ALA 14 1HB ALA 14 9.920 12.806 -5.271 70 HB2 ALA 14 2HB ALA 14 11.458 12.249 -5.931 71 HB3 ALA 14 3HB ALA 14 10.644 13.641 -6.645 72 H GLY 15 H GLY 15 9.449 9.255 -6.842 73 HA2 GLY 15 1HA GLY 15 6.739 9.414 -5.800 74 HA3 GLY 15 2HA GLY 15 7.616 7.947 -6.210 75 H ASP 16 H ASP 16 8.417 10.623 -4.009 76 HA ASP 16 HA ASP 16 8.955 8.645 -1.919 77 HB2 ASP 16 1HB ASP 16 9.866 10.823 -0.766 78 HB3 ASP 16 2HB ASP 16 10.803 10.030 -2.029 79 H LEU 17 H LEU 17 6.293 8.896 -2.364 80 HA LEU 17 HA LEU 17 5.396 10.278 0.067 81 HB2 LEU 17 1HB LEU 17 3.766 10.226 -2.457 82 HB3 LEU 17 2HB LEU 17 3.474 11.161 -0.992 83 HG LEU 17 HG LEU 17 5.779 11.626 -2.880 84 HD11 LEU 17 1HD1 LEU 17 4.287 13.793 -3.204 85 HD12 LEU 17 2HD1 LEU 17 2.996 12.649 -2.836 86 HD13 LEU 17 3HD1 LEU 17 4.075 12.352 -4.198 87 HD21 LEU 17 1HD2 LEU 17 6.559 13.060 -1.375 88 HD22 LEU 17 2HD2 LEU 17 5.374 12.426 -0.233 89 HD23 LEU 17 3HD2 LEU 17 4.984 13.837 -1.218 90 H CYS 18 H CYS 18 4.015 9.142 1.316 91 HA CYS 18 HA CYS 18 3.792 6.464 1.319 92 HB2 CYS 18 1HB CYS 18 2.946 7.741 3.168 93 HB3 CYS 18 2HB CYS 18 1.693 8.465 2.164 94 H ALA 19 H ALA 19 2.140 4.931 0.738 95 HA ALA 19 HA ALA 19 1.098 5.439 -1.927 96 HB1 ALA 19 1HB ALA 19 1.271 3.232 -2.264 97 HB2 ALA 19 2HB ALA 19 2.227 3.235 -0.781 98 HB3 ALA 19 3HB ALA 19 0.510 2.839 -0.722 99 H LEU 20 H LEU 20 -0.102 4.693 1.309 100 HA LEU 20 HA LEU 20 -2.795 4.298 0.691 101 HB2 LEU 20 1HB LEU 20 -1.244 5.014 3.093 102 HB3 LEU 20 2HB LEU 20 -2.954 5.441 3.129 103 HG LEU 20 HG LEU 20 -3.169 2.888 2.355 104 HD11 LEU 20 1HD1 LEU 20 -1.129 2.330 4.335 105 HD12 LEU 20 2HD1 LEU 20 -0.460 3.062 2.877 106 HD13 LEU 20 3HD1 LEU 20 -1.414 1.584 2.763 107 HD21 LEU 20 1HD2 LEU 20 -2.862 2.765 5.159 108 HD22 LEU 20 2HD2 LEU 20 -4.350 2.947 4.231 109 HD23 LEU 20 3HD2 LEU 20 -3.466 4.375 4.770 110 H CYS 21 H CYS 21 -1.324 7.278 1.996 111 HA CYS 21 HA CYS 21 -3.530 8.796 0.781 112 HB2 CYS 21 1HB CYS 21 -2.864 10.603 2.374 113 HB3 CYS 21 2HB CYS 21 -3.407 9.126 3.163 114 H GLY 22 H GLY 22 -0.018 8.976 1.361 115 HA2 GLY 22 1HA GLY 22 1.611 9.594 -0.204 116 HA3 GLY 22 2HA GLY 22 0.336 10.137 -1.284 117 H GLU 23 H GLU 23 1.193 11.009 2.062 118 HA GLU 23 HA GLU 23 0.884 13.817 1.382 119 HB2 GLU 23 1HB GLU 23 1.125 12.260 3.920 120 HB3 GLU 23 2HB GLU 23 1.526 13.971 3.938 121 HG2 GLU 23 1HG GLU 23 -0.692 14.517 3.108 122 HG3 GLU 23 2HG GLU 23 -1.099 12.803 3.042 123 H HIS 24 H HIS 24 3.332 12.128 3.344 124 HA HIS 24 HA HIS 24 5.524 12.957 1.747 125 HB2 HIS 24 1HB HIS 24 4.634 15.075 3.078 126 HB3 HIS 24 2HB HIS 24 5.581 14.361 4.379 127 HD1 HIS 24 1HD HIS 24 8.179 14.134 3.943 128 HD2 HIS 24 2HD HIS 24 6.089 16.358 1.124 129 HE1 HIS 24 1HE HIS 24 9.928 15.406 2.660 130 H LEU 25 H LEU 25 7.154 11.597 2.125 131 HA LEU 25 HA LEU 25 7.074 10.007 4.592 132 HB2 LEU 25 1HB LEU 25 8.430 9.478 1.953 133 HB3 LEU 25 2HB LEU 25 8.514 8.420 3.360 134 HG LEU 25 HG LEU 25 5.876 9.111 2.113 135 HD11 LEU 25 1HD1 LEU 25 7.872 7.063 1.194 136 HD12 LEU 25 2HD1 LEU 25 7.035 8.288 0.241 137 HD13 LEU 25 3HD1 LEU 25 6.143 6.908 0.882 138 HD21 LEU 25 1HD2 LEU 25 6.258 6.437 3.126 139 HD22 LEU 25 2HD2 LEU 25 5.070 7.656 3.587 140 HD23 LEU 25 3HD2 LEU 25 6.662 7.644 4.347 141 H TYR 26 H TYR 26 9.120 9.421 5.599 142 HA TYR 26 HA TYR 26 11.257 11.392 5.148 143 HB2 TYR 26 1HB TYR 26 9.815 11.945 7.149 144 HB3 TYR 26 2HB TYR 26 10.385 10.450 7.882 145 HD1 TYR 26 1HD TYR 26 12.216 13.037 5.914 146 HD2 TYR 26 2HD TYR 26 11.754 11.060 9.653 147 HE1 TYR 26 1HE TYR 26 14.192 14.221 6.777 148 HE2 TYR 26 2HE TYR 26 13.728 12.239 10.527 149 HH TYR 26 HH TYR 26 15.478 13.539 10.001 150 H VAL 27 H VAL 27 13.323 10.715 6.286 151 HA VAL 27 HA VAL 27 14.071 8.141 5.370 152 HB VAL 27 HB VAL 27 16.227 8.582 6.532 153 HG11 VAL 27 1HG1 VAL 27 15.906 11.139 5.217 154 HG12 VAL 27 2HG1 VAL 27 16.852 9.731 4.730 155 HG13 VAL 27 3HG1 VAL 27 15.143 9.837 4.305 156 HG21 VAL 27 1HG2 VAL 27 14.827 10.087 8.255 157 HG22 VAL 27 2HG2 VAL 27 16.560 10.279 7.993 158 HG23 VAL 27 3HG2 VAL 27 15.421 11.350 7.177 159 H LEU 28 H LEU 28 12.591 9.190 8.240 160 HA LEU 28 HA LEU 28 13.244 6.632 9.549 161 HB2 LEU 28 1HB LEU 28 12.763 9.343 10.763 162 HB3 LEU 28 2HB LEU 28 12.745 7.851 11.701 163 HG LEU 28 HG LEU 28 15.152 8.592 10.078 164 HD11 LEU 28 1HD1 LEU 28 16.050 9.630 12.178 165 HD12 LEU 28 2HD1 LEU 28 14.399 9.642 12.797 166 HD13 LEU 28 3HD1 LEU 28 14.805 10.567 11.351 167 HD21 LEU 28 1HD2 LEU 28 14.532 6.369 11.490 168 HD22 LEU 28 2HD2 LEU 28 15.350 7.326 12.726 169 HD23 LEU 28 3HD2 LEU 28 16.177 6.944 11.215 170 H GLU 29 H GLU 29 10.939 7.968 7.827 171 HA GLU 29 HA GLU 29 8.770 6.851 9.480 172 HB2 GLU 29 1HB GLU 29 8.662 9.215 7.601 173 HB3 GLU 29 2HB GLU 29 7.250 8.472 8.339 174 HG2 GLU 29 1HG GLU 29 8.578 8.938 10.560 175 HG3 GLU 29 2HG GLU 29 9.368 10.158 9.562 176 H ARG 30 H ARG 30 9.896 7.487 6.180 177 HA ARG 30 HA ARG 30 8.003 6.205 4.685 178 HB2 ARG 30 1HB ARG 30 9.581 6.040 2.967 179 HB3 ARG 30 2HB ARG 30 10.168 7.382 3.940 180 HG2 ARG 30 1HG ARG 30 11.825 5.977 4.972 181 HG3 ARG 30 2HG ARG 30 11.179 4.555 4.149 182 HD2 ARG 30 1HD ARG 30 13.046 5.168 2.878 183 HD3 ARG 30 2HD ARG 30 11.671 5.808 1.979 184 HE ARG 30 HE ARG 30 12.826 7.697 3.808 185 HH11 ARG 30 2HH1 ARG 30 13.012 6.332 0.610 186 HH12 ARG 30 1HH1 ARG 30 13.803 7.714 -0.074 187 HH21 ARG 30 2HH2 ARG 30 13.866 9.521 2.918 188 HH22 ARG 30 1HH2 ARG 30 14.288 9.527 1.239 189 H LEU 31 H LEU 31 7.584 4.113 4.017 190 HA LEU 31 HA LEU 31 9.011 1.972 5.446 191 HB2 LEU 31 1HB LEU 31 6.651 2.620 6.289 192 HB3 LEU 31 2HB LEU 31 6.084 1.802 4.834 193 HG LEU 31 HG LEU 31 7.606 -0.150 5.805 194 HD11 LEU 31 1HD1 LEU 31 6.614 1.148 8.326 195 HD12 LEU 31 2HD1 LEU 31 8.263 1.354 7.736 196 HD13 LEU 31 3HD1 LEU 31 7.671 -0.253 8.154 197 HD21 LEU 31 1HD2 LEU 31 5.086 -0.005 5.323 198 HD22 LEU 31 2HD2 LEU 31 4.918 0.311 7.050 199 HD23 LEU 31 3HD2 LEU 31 5.643 -1.199 6.495 200 H CYS 32 H CYS 32 10.211 1.227 3.761 201 HA CYS 32 HA CYS 32 9.241 0.950 1.110 202 HB2 CYS 32 1HB CYS 32 11.690 1.070 2.008 203 HB3 CYS 32 2HB CYS 32 11.526 -0.673 2.178 204 HG CYS 32 HG CYS 32 11.965 1.168 -0.574 205 H VAL 33 H VAL 33 7.780 -0.461 0.437 206 HA VAL 33 HA VAL 33 7.839 -3.190 1.531 207 HB VAL 33 HB VAL 33 5.298 -1.654 0.975 208 HG11 VAL 33 1HG1 VAL 33 4.775 -3.853 2.596 209 HG12 VAL 33 2HG1 VAL 33 4.389 -3.684 0.882 210 HG13 VAL 33 3HG1 VAL 33 5.899 -4.452 1.376 211 HG21 VAL 33 1HG2 VAL 33 6.936 -1.955 3.413 212 HG22 VAL 33 2HG2 VAL 33 5.830 -0.665 2.940 213 HG23 VAL 33 3HG2 VAL 33 5.196 -2.168 3.610 214 H ASN 34 H ASN 34 8.741 -4.115 -0.262 215 HA ASN 34 HA ASN 34 8.778 -5.116 -2.307 216 HB2 ASN 34 1HB ASN 34 5.931 -4.134 -2.604 217 HB3 ASN 34 2HB ASN 34 6.704 -5.419 -3.529 218 HD21 ASN 34 1HD2 ASN 34 6.918 -7.431 -2.647 219 HD22 ASN 34 2HD2 ASN 34 6.185 -7.894 -1.153 220 H GLY 35 H GLY 35 9.614 -2.373 -1.945 221 HA2 GLY 35 1HA GLY 35 10.704 -1.077 -3.629 222 HA3 GLY 35 2HA GLY 35 9.430 -1.526 -4.753 223 H HIS 36 H HIS 36 7.227 -0.943 -3.036 224 HA HIS 36 HA HIS 36 7.082 1.897 -3.467 225 HB2 HIS 36 1HB HIS 36 5.076 0.038 -2.172 226 HB3 HIS 36 2HB HIS 36 4.762 1.684 -2.714 227 HD1 HIS 36 1HD HIS 36 5.422 1.936 -5.461 228 HD2 HIS 36 2HD HIS 36 4.240 -1.764 -3.988 229 HE1 HIS 36 1HE HIS 36 4.662 0.626 -7.468 230 H PHE 37 H PHE 37 5.939 3.203 -1.632 231 HA PHE 37 HA PHE 37 7.237 2.602 0.939 232 HB2 PHE 37 1HB PHE 37 7.168 5.254 -0.507 233 HB3 PHE 37 2HB PHE 37 7.613 5.083 1.188 234 HD1 PHE 37 2HD PHE 37 9.641 3.764 1.792 235 HD2 PHE 37 1HD PHE 37 8.701 4.787 -2.231 236 HE1 PHE 37 2HE PHE 37 11.966 3.303 1.135 237 HE2 PHE 37 1HE PHE 37 11.025 4.326 -2.895 238 HZ PHE 37 HZ PHE 37 12.662 3.584 -1.210 239 H PHE 38 H PHE 38 6.149 3.299 2.794 240 HA PHE 38 HA PHE 38 3.548 4.576 2.473 241 HB2 PHE 38 1HB PHE 38 3.809 1.967 3.973 242 HB3 PHE 38 2HB PHE 38 2.332 2.865 3.638 243 HD1 PHE 38 1HD PHE 38 5.153 1.200 1.863 244 HD2 PHE 38 2HD PHE 38 1.024 2.232 1.854 245 HE1 PHE 38 1HE PHE 38 4.836 -0.103 -0.199 246 HE2 PHE 38 2HE PHE 38 0.699 0.929 -0.208 247 HZ PHE 38 HZ PHE 38 2.606 -0.241 -1.237 248 H HIS 39 H HIS 39 2.558 5.088 4.625 249 HA HIS 39 HA HIS 39 4.581 6.231 6.329 250 HB2 HIS 39 1HB HIS 39 1.565 6.299 6.369 251 HB3 HIS 39 2HB HIS 39 2.546 7.057 7.620 252 HD2 HIS 39 2HD HIS 39 4.747 8.553 5.734 253 HE1 HIS 39 1HE HIS 39 1.367 10.298 3.855 254 HE2 HIS 39 2HE HIS 39 3.866 10.400 4.152 255 H ARG 40 H ARG 40 5.453 5.278 8.037 256 HA ARG 40 HA ARG 40 5.152 2.756 8.908 257 HB2 ARG 40 1HB ARG 40 5.936 5.263 10.308 258 HB3 ARG 40 2HB ARG 40 5.663 3.833 11.294 259 HG2 ARG 40 1HG ARG 40 7.410 3.587 8.902 260 HG3 ARG 40 2HG ARG 40 8.040 4.405 10.333 261 HD2 ARG 40 1HD ARG 40 6.693 1.751 10.601 262 HD3 ARG 40 2HD ARG 40 8.365 1.835 10.047 263 HE ARG 40 HE ARG 40 7.385 2.350 12.709 264 HH11 ARG 40 2HH1 ARG 40 9.975 2.853 10.437 265 HH12 ARG 40 1HH1 ARG 40 11.166 3.147 11.661 266 HH21 ARG 40 2HH2 ARG 40 8.944 2.736 14.329 267 HH22 ARG 40 1HH2 ARG 40 10.579 3.079 13.874 268 H SER 41 H SER 41 2.938 5.359 9.488 269 HA SER 41 HA SER 41 1.461 3.886 11.512 270 HB2 SER 41 1HB SER 41 1.000 6.584 10.224 271 HB3 SER 41 2HB SER 41 -0.059 5.887 11.450 272 HG SER 41 HG SER 41 1.288 6.613 12.873 273 H CYS 42 H CYS 42 0.721 5.302 8.321 274 HA CYS 42 HA CYS 42 -1.793 4.303 7.923 275 HB2 CYS 42 1HB CYS 42 0.458 4.687 5.950 276 HB3 CYS 42 2HB CYS 42 -1.175 4.254 5.456 277 H PHE 43 H PHE 43 1.270 2.654 7.197 278 HA PHE 43 HA PHE 43 0.210 0.312 6.122 279 HB2 PHE 43 1HB PHE 43 2.649 1.058 6.191 280 HB3 PHE 43 2HB PHE 43 2.699 0.402 7.824 281 HD1 PHE 43 2HD PHE 43 1.993 -0.510 4.299 282 HD2 PHE 43 1HD PHE 43 3.094 -1.863 8.181 283 HE1 PHE 43 2HE PHE 43 2.469 -2.743 3.382 284 HE2 PHE 43 1HE PHE 43 3.574 -4.098 7.271 285 HZ PHE 43 HZ PHE 43 3.260 -4.540 4.868 286 H ARG 44 H ARG 44 -1.430 -0.712 7.120 287 HA ARG 44 HA ARG 44 -0.862 -1.968 9.685 288 HB2 ARG 44 1HB ARG 44 -3.442 -0.457 9.262 289 HB3 ARG 44 2HB ARG 44 -2.901 -1.257 10.732 290 HG2 ARG 44 1HG ARG 44 -1.167 0.367 11.050 291 HG3 ARG 44 2HG ARG 44 -1.517 1.107 9.487 292 HD2 ARG 44 1HD ARG 44 -3.607 1.923 10.235 293 HD3 ARG 44 2HD ARG 44 -3.560 0.919 11.685 294 HE ARG 44 HE ARG 44 -1.416 2.838 11.488 295 HH11 ARG 44 2HH1 ARG 44 -4.660 2.232 12.597 296 HH12 ARG 44 1HH1 ARG 44 -4.622 3.480 13.797 297 HH21 ARG 44 2HH2 ARG 44 -1.354 4.485 13.065 298 HH22 ARG 44 1HH2 ARG 44 -2.742 4.762 14.062 299 H CYS 45 H CYS 45 -2.850 -3.434 10.267 300 HA CYS 45 HA CYS 45 -3.059 -5.396 8.301 301 HB2 CYS 45 1HB CYS 45 -3.450 -5.703 10.764 302 HB3 CYS 45 2HB CYS 45 -5.024 -4.942 10.553 303 H HIS 46 H HIS 46 -5.123 -6.221 7.344 304 HA HIS 46 HA HIS 46 -6.609 -3.968 6.185 305 HB2 HIS 46 1HB HIS 46 -5.520 -5.298 4.510 306 HB3 HIS 46 2HB HIS 46 -6.150 -6.789 5.204 307 HD1 HIS 46 1HD HIS 46 -6.961 -4.099 2.828 308 HD2 HIS 46 2HD HIS 46 -8.960 -7.191 4.752 309 HE1 HIS 46 1HE HIS 46 -9.134 -4.367 1.591 310 H THR 47 H THR 47 -6.939 -6.107 8.620 311 HA THR 47 HA THR 47 -9.862 -6.283 8.273 312 HB THR 47 HB THR 47 -7.960 -8.250 9.530 313 HG1 THR 47 1HG THR 47 -8.415 -8.605 7.352 314 HG21 THR 47 1HG2 THR 47 -9.815 -7.861 11.102 315 HG22 THR 47 2HG2 THR 47 -9.882 -9.474 10.392 316 HG23 THR 47 3HG2 THR 47 -10.966 -8.210 9.813 317 H CYS 48 H CYS 48 -7.192 -5.699 10.481 318 HA CYS 48 HA CYS 48 -9.112 -4.553 12.401 319 HB2 CYS 48 1HB CYS 48 -7.440 -5.084 14.174 320 HB3 CYS 48 2HB CYS 48 -8.102 -6.513 13.386 321 H GLU 49 H GLU 49 -6.758 -3.844 10.200 322 HA GLU 49 HA GLU 49 -5.386 -2.066 9.801 323 HB2 GLU 49 1HB GLU 49 -7.487 -0.704 11.494 324 HB3 GLU 49 2HB GLU 49 -6.294 0.136 10.514 325 HG2 GLU 49 1HG GLU 49 -7.220 -0.807 8.499 326 HG3 GLU 49 2HG GLU 49 -8.356 -1.773 9.440 327 H ALA 50 H ALA 50 -4.275 -3.606 11.690 328 HA ALA 50 HA ALA 50 -3.467 -1.843 13.890 329 HB1 ALA 50 1HB ALA 50 -2.272 -4.088 14.576 330 HB2 ALA 50 2HB ALA 50 -3.993 -3.838 14.875 331 HB3 ALA 50 3HB ALA 50 -3.468 -4.790 13.486 332 H THR 51 H THR 51 -1.415 -1.114 14.137 333 HA THR 51 HA THR 51 0.249 -0.666 12.021 334 HB THR 51 HB THR 51 1.260 -1.087 14.837 335 HG1 THR 51 1HG THR 51 0.313 0.743 15.367 336 HG21 THR 51 1HG2 THR 51 2.801 0.801 14.110 337 HG22 THR 51 2HG2 THR 51 2.249 0.482 12.465 338 HG23 THR 51 3HG2 THR 51 3.090 -0.775 13.373 339 H LEU 52 H LEU 52 0.783 -2.297 10.658 340 HA LEU 52 HA LEU 52 1.614 -4.878 11.546 341 HB2 LEU 52 1HB LEU 52 1.850 -3.544 8.854 342 HB3 LEU 52 2HB LEU 52 2.194 -5.243 9.169 343 HG LEU 52 HG LEU 52 -0.498 -3.910 9.460 344 HD11 LEU 52 1HD1 LEU 52 -1.134 -4.955 7.460 345 HD12 LEU 52 2HD1 LEU 52 0.304 -5.975 7.433 346 HD13 LEU 52 3HD1 LEU 52 0.444 -4.245 7.118 347 HD21 LEU 52 1HD2 LEU 52 -1.367 -6.105 9.877 348 HD22 LEU 52 2HD2 LEU 52 -0.071 -5.790 11.030 349 HD23 LEU 52 3HD2 LEU 52 0.223 -6.831 9.637 350 H TRP 53 H TRP 53 3.403 -4.808 12.829 351 HA TRP 53 HA TRP 53 5.677 -3.199 12.327 352 HB2 TRP 53 1HB TRP 53 5.863 -5.752 13.883 353 HB3 TRP 53 2HB TRP 53 6.624 -4.195 14.199 354 HD1 TRP 53 HD TRP 53 3.271 -6.021 14.623 355 HE1 TRP 53 1HE TRP 53 1.896 -4.790 16.417 356 HE3 TRP 53 3HE TRP 53 6.308 -1.971 15.336 357 HZ2 TRP 53 2HZ TRP 53 2.075 -2.416 17.934 358 HZ3 TRP 53 3HZ TRP 53 5.633 -0.266 16.976 359 HH2 TRP 53 HH TRP 53 3.560 -0.485 18.247 360 HA PRO 54 HA PRO 54 7.940 -5.472 9.331 361 HB2 PRO 54 1HB PRO 54 10.494 -5.030 10.137 362 HB3 PRO 54 2HB PRO 54 9.493 -3.780 9.388 363 HG2 PRO 54 1HG PRO 54 10.088 -4.248 12.285 364 HG3 PRO 54 2HG PRO 54 10.039 -2.721 11.385 365 HD2 PRO 54 1HD PRO 54 7.995 -3.555 12.953 366 HD3 PRO 54 2HD PRO 54 7.740 -2.591 11.483 367 H GLY 55 H GLY 55 7.338 -6.699 12.206 368 HA2 GLY 55 1HA GLY 55 8.801 -9.157 11.638 369 HA3 GLY 55 2HA GLY 55 9.119 -8.402 13.192 370 H GLY 56 H GLY 56 5.978 -8.325 11.642 371 HA2 GLY 56 1HA GLY 56 4.943 -10.583 13.085 372 HA3 GLY 56 2HA GLY 56 4.482 -9.051 13.810 373 H TYR 57 H TYR 57 4.842 -9.925 10.389 374 HA TYR 57 HA TYR 57 1.994 -9.961 9.964 375 HB2 TYR 57 1HB TYR 57 1.702 -7.983 8.815 376 HB3 TYR 57 2HB TYR 57 2.877 -7.479 10.025 377 HD1 TYR 57 2HD TYR 57 5.357 -7.516 9.336 378 HD2 TYR 57 1HD TYR 57 2.151 -7.682 6.545 379 HE1 TYR 57 2HE TYR 57 6.877 -6.765 7.554 380 HE2 TYR 57 1HE TYR 57 3.662 -6.933 4.755 381 HH TYR 57 HH TYR 57 6.042 -5.461 4.852 382 H GLU 58 H GLU 58 1.488 -10.229 7.591 383 HA GLU 58 HA GLU 58 3.655 -11.180 5.928 384 HB2 GLU 58 1HB GLU 58 1.661 -13.019 7.198 385 HB3 GLU 58 2HB GLU 58 2.277 -13.384 5.593 386 HG2 GLU 58 1HG GLU 58 4.601 -12.985 6.772 387 HG3 GLU 58 2HG GLU 58 3.672 -13.401 8.211 388 H GLN 59 H GLN 59 3.066 -11.447 3.742 389 HA GLN 59 HA GLN 59 0.550 -10.105 3.053 390 HB2 GLN 59 1HB GLN 59 2.358 -8.961 2.073 391 HB3 GLN 59 2HB GLN 59 3.161 -10.453 1.603 392 HG2 GLN 59 1HG GLN 59 1.573 -10.852 -0.126 393 HG3 GLN 59 2HG GLN 59 0.552 -9.528 0.432 394 HE21 GLN 59 1HE2 GLN 59 1.075 -9.361 -2.089 395 HE22 GLN 59 2HE2 GLN 59 2.310 -8.209 -2.452 396 H HIS 60 H HIS 60 -1.053 -11.516 2.748 397 HA HIS 60 HA HIS 60 -0.719 -14.207 1.972 398 HB2 HIS 60 1HB HIS 60 -2.720 -13.032 3.155 399 HB3 HIS 60 2HB HIS 60 -3.278 -12.704 1.517 400 HD1 HIS 60 1HD HIS 60 -4.322 -14.619 0.230 401 HD2 HIS 60 2HD HIS 60 -2.669 -15.801 3.854 402 HE1 HIS 60 1HE HIS 60 -5.096 -16.986 0.582 403 HA PRO 61 HA PRO 61 -0.051 -13.575 -2.376 404 HB2 PRO 61 1HB PRO 61 -0.061 -16.202 -3.060 405 HB3 PRO 61 2HB PRO 61 1.314 -15.421 -2.271 406 HG2 PRO 61 1HG PRO 61 -0.847 -17.113 -1.074 407 HG3 PRO 61 2HG PRO 61 0.898 -17.136 -0.756 408 HD2 PRO 61 1HD PRO 61 -0.867 -15.911 0.892 409 HD3 PRO 61 2HD PRO 61 0.791 -15.320 0.660 410 H GLY 62 H GLY 62 -2.595 -15.695 -1.110 411 HA2 GLY 62 1HA GLY 62 -4.123 -16.312 -3.234 412 HA3 GLY 62 2HA GLY 62 -4.831 -15.766 -1.721 413 H ASP 63 H ASP 63 -4.806 -13.289 -1.477 414 HA ASP 63 HA ASP 63 -6.028 -12.208 -3.892 415 HB2 ASP 63 1HB ASP 63 -6.486 -10.251 -2.205 416 HB3 ASP 63 2HB ASP 63 -7.416 -11.743 -2.099 417 H GLY 64 H GLY 64 -3.444 -11.396 -1.594 418 HA2 GLY 64 1HA GLY 64 -1.345 -10.540 -2.450 419 HA3 GLY 64 2HA GLY 64 -2.257 -9.704 -3.699 420 H HIS 65 H HIS 65 -2.909 -9.838 -0.221 421 HA HIS 65 HA HIS 65 -2.419 -6.934 -0.105 422 HB2 HIS 65 1HB HIS 65 -4.651 -8.539 1.143 423 HB3 HIS 65 2HB HIS 65 -4.252 -6.901 1.653 424 HD1 HIS 65 1HD HIS 65 -4.369 -5.074 -0.393 425 HD2 HIS 65 2HD HIS 65 -6.429 -8.646 -0.898 426 HE1 HIS 65 1HE HIS 65 -6.034 -4.636 -2.226 427 H PHE 66 H PHE 66 -2.587 -6.392 2.486 428 HA PHE 66 HA PHE 66 -0.560 -8.137 3.723 429 HB2 PHE 66 1HB PHE 66 -0.963 -5.153 3.911 430 HB3 PHE 66 2HB PHE 66 0.066 -6.044 5.027 431 HD1 PHE 66 1HD PHE 66 1.885 -7.554 3.904 432 HD2 PHE 66 2HD PHE 66 -0.039 -4.269 2.000 433 HE1 PHE 66 1HE PHE 66 3.757 -7.381 2.317 434 HE2 PHE 66 2HE PHE 66 1.830 -4.092 0.410 435 HZ PHE 66 HZ PHE 66 3.731 -5.650 0.567 436 H TYR 67 H TYR 67 -1.120 -9.146 5.532 437 HA TYR 67 HA TYR 67 -3.218 -7.984 7.226 438 HB2 TYR 67 1HB TYR 67 -3.087 -10.923 6.536 439 HB3 TYR 67 2HB TYR 67 -4.330 -10.103 7.474 440 HD1 TYR 67 1HD TYR 67 -6.031 -8.751 6.377 441 HD2 TYR 67 2HD TYR 67 -3.039 -10.761 4.115 442 HE1 TYR 67 1HE TYR 67 -7.344 -8.389 4.329 443 HE2 TYR 67 2HE TYR 67 -4.344 -10.404 2.061 444 HH TYR 67 HH TYR 67 -6.326 -9.750 1.229 445 H CYS 68 H CYS 68 -3.243 -8.873 9.422 446 HA CYS 68 HA CYS 68 -0.584 -9.082 10.463 447 HB2 CYS 68 1HB CYS 68 -1.645 -9.123 12.648 448 HB3 CYS 68 2HB CYS 68 -2.396 -7.882 11.650 449 H LEU 69 H LEU 69 -0.184 -10.802 12.234 450 HA LEU 69 HA LEU 69 -0.343 -13.370 10.939 451 HB2 LEU 69 1HB LEU 69 0.747 -12.772 13.678 452 HB3 LEU 69 2HB LEU 69 1.125 -14.148 12.643 453 HG LEU 69 HG LEU 69 1.963 -11.281 12.228 454 HD11 LEU 69 1HD1 LEU 69 3.308 -12.307 13.892 455 HD12 LEU 69 2HD1 LEU 69 4.240 -12.325 12.395 456 HD13 LEU 69 3HD1 LEU 69 3.446 -13.796 12.957 457 HD21 LEU 69 1HD2 LEU 69 3.006 -11.930 10.211 458 HD22 LEU 69 2HD2 LEU 69 1.357 -12.553 10.126 459 HD23 LEU 69 3HD2 LEU 69 2.693 -13.640 10.511 460 H GLN 70 H GLN 70 -2.694 -11.873 12.329 461 HA GLN 70 HA GLN 70 -3.667 -14.235 13.795 462 HB2 GLN 70 1HB GLN 70 -3.275 -12.498 15.412 463 HB3 GLN 70 2HB GLN 70 -4.125 -11.318 14.423 464 HG2 GLN 70 1HG GLN 70 -6.220 -12.365 14.832 465 HG3 GLN 70 2HG GLN 70 -5.443 -13.749 15.599 466 HE21 GLN 70 1HE2 GLN 70 -6.853 -13.317 17.391 467 HE22 GLN 70 2HE2 GLN 70 -6.435 -12.098 18.542 468 H HIS 71 H HIS 71 -4.082 -12.171 11.188 469 HA HIS 71 HA HIS 71 -6.866 -13.071 10.849 470 HB2 HIS 71 1HB HIS 71 -5.633 -10.389 10.299 471 HB3 HIS 71 2HB HIS 71 -7.044 -10.923 9.389 472 HD2 HIS 71 2HD HIS 71 -7.881 -12.310 12.637 473 HE1 HIS 71 1HE HIS 71 -9.014 -8.239 13.008 474 HE2 HIS 71 2HE HIS 71 -9.145 -10.536 14.032 475 H LEU 72 H LEU 72 -3.704 -12.831 9.564 476 HA LEU 72 HA LEU 72 -4.031 -12.913 6.841 477 HB2 LEU 72 1HB LEU 72 -1.867 -12.895 8.039 478 HB3 LEU 72 2HB LEU 72 -2.103 -14.596 8.434 479 HG LEU 72 HG LEU 72 -2.269 -14.805 5.796 480 HD11 LEU 72 1HD1 LEU 72 -0.891 -13.280 4.618 481 HD12 LEU 72 2HD1 LEU 72 -0.370 -12.493 6.107 482 HD13 LEU 72 3HD1 LEU 72 -2.034 -12.314 5.551 483 HD21 LEU 72 1HD2 LEU 72 -0.665 -16.122 6.750 484 HD22 LEU 72 2HD2 LEU 72 0.055 -14.787 7.651 485 HD23 LEU 72 3HD2 LEU 72 0.363 -14.952 5.922 486 HA PRO 73 HA PRO 73 -6.554 -16.581 6.414 487 HB2 PRO 73 1HB PRO 73 -6.880 -16.348 3.729 488 HB3 PRO 73 2HB PRO 73 -7.790 -15.379 4.895 489 HG2 PRO 73 1HG PRO 73 -5.362 -14.644 3.305 490 HG3 PRO 73 2HG PRO 73 -6.819 -13.686 3.631 491 HD2 PRO 73 1HD PRO 73 -4.506 -13.328 4.993 492 HD3 PRO 73 2HD PRO 73 -6.100 -13.074 5.733 493 H GLN 74 H GLN 74 -6.503 -18.295 4.427 494 HA GLN 74 HA GLN 74 -3.786 -18.916 3.622 495 HB2 GLN 74 1HB GLN 74 -5.251 -20.390 5.742 496 HB3 GLN 74 2HB GLN 74 -4.367 -21.356 4.568 497 HG2 GLN 74 1HG GLN 74 -3.291 -19.297 6.465 498 HG3 GLN 74 2HG GLN 74 -2.908 -21.015 6.379 499 HE21 GLN 74 1HE2 GLN 74 -1.172 -18.646 6.270 500 HE22 GLN 74 2HE2 GLN 74 -0.283 -18.787 4.796 501 H THR 75 H THR 75 -4.033 -19.276 1.523 502 HA THR 75 HA THR 75 -6.295 -19.792 0.103 503 HB THR 75 HB THR 75 -4.124 -19.290 -0.946 504 HG1 THR 75 1HG THR 75 -5.938 -20.433 -2.065 505 HG21 THR 75 1HG2 THR 75 -3.404 -22.193 -0.694 506 HG22 THR 75 2HG2 THR 75 -2.915 -21.026 0.535 507 HG23 THR 75 3HG2 THR 75 -2.377 -20.829 -1.133 508 H ASP 76 H ASP 76 -6.931 -21.792 -1.095 509 HA ASP 76 HA ASP 76 -6.276 -24.357 -0.071 510 HB2 ASP 76 1HB ASP 76 -7.746 -23.281 1.761 511 HB3 ASP 76 2HB ASP 76 -9.075 -23.505 0.628 512 H SER 77 H SER 77 -6.572 -25.710 -1.707 513 HA SER 77 HA SER 77 -7.243 -26.552 -3.715 514 HB2 SER 77 1HB SER 77 -9.287 -26.933 -2.268 515 HB3 SER 77 2HB SER 77 -9.971 -25.474 -2.985 516 HG SER 77 HG SER 77 -9.116 -26.941 -4.983 517 H GLY 78 H GLY 78 -6.087 -24.037 -3.905 518 HA2 GLY 78 1HA GLY 78 -7.395 -23.064 -6.334 519 HA3 GLY 78 2HA GLY 78 -7.127 -21.902 -5.043 520 HA PRO 79 HA PRO 79 -2.831 -23.329 -6.841 521 HB2 PRO 79 1HB PRO 79 -2.953 -24.222 -9.402 522 HB3 PRO 79 2HB PRO 79 -3.061 -25.297 -8.004 523 HG2 PRO 79 1HG PRO 79 -5.253 -24.185 -9.712 524 HG3 PRO 79 2HG PRO 79 -5.052 -25.830 -9.080 525 HD2 PRO 79 1HD PRO 79 -6.718 -24.025 -7.940 526 HD3 PRO 79 2HD PRO 79 -5.865 -25.264 -6.998 527 H SER 80 H SER 80 -1.978 -21.370 -7.138 528 HA SER 80 HA SER 80 -3.144 -19.308 -8.653 529 HB2 SER 80 1HB SER 80 -0.258 -19.592 -7.779 530 HB3 SER 80 2HB SER 80 -1.042 -18.097 -8.290 531 HG SER 80 HG SER 80 -1.484 -17.916 -6.242 532 H SER 81 H SER 81 -2.863 -18.611 -10.710 533 HA SER 81 HA SER 81 -2.308 -20.276 -12.776 534 HB2 SER 81 1HB SER 81 -2.115 -17.297 -12.515 535 HB3 SER 81 2HB SER 81 -1.605 -18.067 -14.017 536 HG SER 81 HG SER 81 -3.619 -18.459 -14.492 537 H GLY 82 H GLY 82 0.034 -18.072 -11.248 538 HA2 GLY 82 1HA GLY 82 2.223 -19.629 -11.128 539 HA3 GLY 82 2HA GLY 82 2.208 -19.166 -12.823 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -20.793 25.353 -36.747 2 HA2 GLY 1 1HA GLY 1 -18.533 24.868 -38.533 3 HA3 GLY 1 2HA GLY 1 -18.540 25.920 -37.125 4 H SER 2 H SER 2 -16.478 24.883 -36.645 5 HA SER 2 HA SER 2 -16.765 22.851 -34.691 6 HB2 SER 2 1HB SER 2 -16.916 21.493 -36.809 7 HB3 SER 2 2HB SER 2 -15.264 21.992 -37.173 8 HG SER 2 HG SER 2 -15.143 20.048 -36.118 9 H SER 3 H SER 3 -14.646 22.208 -33.759 10 HA SER 3 HA SER 3 -12.298 23.675 -34.483 11 HB2 SER 3 1HB SER 3 -12.160 24.912 -32.282 12 HB3 SER 3 2HB SER 3 -13.379 25.521 -33.402 13 HG SER 3 HG SER 3 -14.436 25.351 -31.508 14 H GLY 4 H GLY 4 -10.614 23.446 -32.596 15 HA2 GLY 4 1HA GLY 4 -11.013 20.927 -31.147 16 HA3 GLY 4 2HA GLY 4 -9.661 21.038 -32.264 17 H SER 5 H SER 5 -8.530 20.497 -30.179 18 HA SER 5 HA SER 5 -7.274 22.851 -29.177 19 HB2 SER 5 1HB SER 5 -7.957 22.812 -26.904 20 HB3 SER 5 2HB SER 5 -9.448 22.709 -27.841 21 HG SER 5 HG SER 5 -8.800 21.112 -25.966 22 H SER 6 H SER 6 -5.490 22.366 -27.728 23 HA SER 6 HA SER 6 -4.681 19.535 -27.791 24 HB2 SER 6 1HB SER 6 -2.937 21.944 -28.358 25 HB3 SER 6 2HB SER 6 -2.349 20.289 -28.201 26 HG SER 6 HG SER 6 -2.909 21.221 -30.401 27 H GLY 7 H GLY 7 -3.253 18.860 -26.109 28 HA2 GLY 7 1HA GLY 7 -3.110 20.712 -23.816 29 HA3 GLY 7 2HA GLY 7 -3.692 19.067 -23.609 30 H GLN 8 H GLN 8 -1.290 20.633 -22.590 31 HA GLN 8 HA GLN 8 0.591 18.450 -22.888 32 HB2 GLN 8 1HB GLN 8 1.179 21.245 -23.844 33 HB3 GLN 8 2HB GLN 8 2.456 20.122 -23.397 34 HG2 GLN 8 1HG GLN 8 1.420 18.522 -25.078 35 HG3 GLN 8 2HG GLN 8 0.490 19.907 -25.649 36 HE21 GLN 8 1HE2 GLN 8 3.853 19.224 -24.728 37 HE22 GLN 8 2HE2 GLN 8 4.563 19.980 -26.109 38 H HIS 9 H HIS 9 0.932 17.978 -20.818 39 HA HIS 9 HA HIS 9 1.710 20.163 -19.010 40 HB2 HIS 9 1HB HIS 9 -0.697 19.115 -18.731 41 HB3 HIS 9 2HB HIS 9 0.192 17.827 -17.922 42 HD1 HIS 9 1HD HIS 9 -0.367 18.233 -15.526 43 HD2 HIS 9 2HD HIS 9 0.844 21.699 -17.470 44 HE1 HIS 9 1HE HIS 9 -0.181 19.981 -13.728 45 H GLN 10 H GLN 10 3.884 19.525 -19.493 46 HA GLN 10 HA GLN 10 4.708 16.877 -18.582 47 HB2 GLN 10 1HB GLN 10 5.521 18.126 -20.739 48 HB3 GLN 10 2HB GLN 10 6.609 18.942 -19.624 49 HG2 GLN 10 1HG GLN 10 7.361 16.658 -18.873 50 HG3 GLN 10 2HG GLN 10 6.458 16.008 -20.241 51 HE21 GLN 10 1HE2 GLN 10 9.024 18.267 -19.373 52 HE22 GLN 10 2HE2 GLN 10 9.910 18.107 -20.847 53 H GLU 11 H GLU 11 5.857 16.498 -16.765 54 HA GLU 11 HA GLU 11 7.385 18.416 -15.376 55 HB2 GLU 11 1HB GLU 11 6.029 18.932 -13.497 56 HB3 GLU 11 2HB GLU 11 5.047 19.258 -14.918 57 HG2 GLU 11 1HG GLU 11 3.849 17.190 -14.623 58 HG3 GLU 11 2HG GLU 11 4.896 16.741 -13.277 59 H ALA 12 H ALA 12 8.706 17.433 -13.934 60 HA ALA 12 HA ALA 12 8.940 14.652 -13.902 61 HB1 ALA 12 1HB ALA 12 10.656 14.938 -12.270 62 HB2 ALA 12 2HB ALA 12 10.752 16.297 -13.391 63 HB3 ALA 12 3HB ALA 12 10.024 16.517 -11.800 64 H GLY 13 H GLY 13 8.517 13.089 -12.317 65 HA2 GLY 13 1HA GLY 13 6.518 13.897 -10.295 66 HA3 GLY 13 2HA GLY 13 6.371 12.414 -11.225 67 H ALA 14 H ALA 14 7.125 13.529 -8.277 68 HA ALA 14 HA ALA 14 9.409 11.837 -7.726 69 HB1 ALA 14 1HB ALA 14 8.997 14.086 -6.647 70 HB2 ALA 14 2HB ALA 14 7.731 13.299 -5.704 71 HB3 ALA 14 3HB ALA 14 9.404 12.764 -5.554 72 H GLY 15 H GLY 15 9.321 9.787 -7.071 73 HA2 GLY 15 1HA GLY 15 6.691 8.660 -6.409 74 HA3 GLY 15 2HA GLY 15 8.096 7.746 -6.938 75 H ASP 16 H ASP 16 7.674 10.136 -4.336 76 HA ASP 16 HA ASP 16 8.479 8.049 -2.420 77 HB2 ASP 16 1HB ASP 16 9.242 10.930 -2.041 78 HB3 ASP 16 2HB ASP 16 9.958 9.491 -1.319 79 H LEU 17 H LEU 17 5.836 8.528 -2.914 80 HA LEU 17 HA LEU 17 4.993 9.934 -0.468 81 HB2 LEU 17 1HB LEU 17 3.188 9.776 -2.836 82 HB3 LEU 17 2HB LEU 17 3.208 10.945 -1.517 83 HG LEU 17 HG LEU 17 5.265 10.833 -3.720 84 HD11 LEU 17 1HD1 LEU 17 3.850 13.149 -4.050 85 HD12 LEU 17 2HD1 LEU 17 2.588 11.993 -3.626 86 HD13 LEU 17 3HD1 LEU 17 3.644 11.679 -5.003 87 HD21 LEU 17 1HD2 LEU 17 5.778 13.123 -2.893 88 HD22 LEU 17 2HD2 LEU 17 6.143 11.846 -1.732 89 HD23 LEU 17 3HD2 LEU 17 4.691 12.829 -1.535 90 H CYS 18 H CYS 18 3.593 8.876 0.833 91 HA CYS 18 HA CYS 18 3.339 6.176 0.886 92 HB2 CYS 18 1HB CYS 18 2.647 7.653 2.729 93 HB3 CYS 18 2HB CYS 18 1.235 8.148 1.801 94 H ALA 19 H ALA 19 1.695 4.666 0.346 95 HA ALA 19 HA ALA 19 0.322 5.344 -2.149 96 HB1 ALA 19 1HB ALA 19 -0.019 2.617 -1.628 97 HB2 ALA 19 2HB ALA 19 1.097 3.359 -2.775 98 HB3 ALA 19 3HB ALA 19 1.632 2.994 -1.135 99 H LEU 20 H LEU 20 -0.287 4.485 1.160 100 HA LEU 20 HA LEU 20 -2.951 3.611 0.925 101 HB2 LEU 20 1HB LEU 20 -1.209 4.608 3.096 102 HB3 LEU 20 2HB LEU 20 -2.947 4.703 3.376 103 HG LEU 20 HG LEU 20 -1.829 2.663 4.298 104 HD11 LEU 20 1HD1 LEU 20 -3.559 1.103 3.453 105 HD12 LEU 20 2HD1 LEU 20 -3.995 2.301 2.235 106 HD13 LEU 20 3HD1 LEU 20 -4.205 2.668 3.947 107 HD21 LEU 20 1HD2 LEU 20 -1.231 2.297 1.405 108 HD22 LEU 20 2HD2 LEU 20 -1.573 0.873 2.388 109 HD23 LEU 20 3HD2 LEU 20 -0.237 1.943 2.818 110 H CYS 21 H CYS 21 -1.667 6.820 1.802 111 HA CYS 21 HA CYS 21 -4.299 7.967 1.172 112 HB2 CYS 21 1HB CYS 21 -3.410 9.984 2.408 113 HB3 CYS 21 2HB CYS 21 -3.634 8.539 3.390 114 H GLY 22 H GLY 22 -0.824 8.672 0.776 115 HA2 GLY 22 1HA GLY 22 -0.022 9.105 -1.501 116 HA3 GLY 22 2HA GLY 22 -1.512 9.997 -1.774 117 H GLU 23 H GLU 23 0.421 10.207 1.153 118 HA GLU 23 HA GLU 23 0.881 13.044 0.549 119 HB2 GLU 23 1HB GLU 23 1.187 11.687 3.227 120 HB3 GLU 23 2HB GLU 23 1.083 13.412 2.901 121 HG2 GLU 23 1HG GLU 23 -1.167 11.533 2.271 122 HG3 GLU 23 2HG GLU 23 -0.975 12.276 3.858 123 H HIS 24 H HIS 24 2.950 13.900 1.688 124 HA HIS 24 HA HIS 24 5.168 12.690 0.416 125 HB2 HIS 24 1HB HIS 24 4.733 15.172 1.234 126 HB3 HIS 24 2HB HIS 24 5.567 14.601 2.677 127 HD1 HIS 24 1HD HIS 24 7.917 15.332 2.566 128 HD2 HIS 24 2HD HIS 24 6.497 14.162 -1.159 129 HE1 HIS 24 1HE HIS 24 9.873 15.552 1.002 130 H LEU 25 H LEU 25 6.901 11.545 1.243 131 HA LEU 25 HA LEU 25 6.443 10.330 3.885 132 HB2 LEU 25 1HB LEU 25 7.907 9.269 1.475 133 HB3 LEU 25 2HB LEU 25 7.855 8.466 3.043 134 HG LEU 25 HG LEU 25 5.318 9.090 1.578 135 HD11 LEU 25 1HD1 LEU 25 5.450 6.813 0.597 136 HD12 LEU 25 2HD1 LEU 25 7.136 6.734 1.106 137 HD13 LEU 25 3HD1 LEU 25 6.627 7.944 -0.072 138 HD21 LEU 25 1HD2 LEU 25 5.000 8.365 3.809 139 HD22 LEU 25 2HD2 LEU 25 6.192 7.076 3.637 140 HD23 LEU 25 3HD2 LEU 25 4.652 6.975 2.781 141 H TYR 26 H TYR 26 8.335 9.799 5.163 142 HA TYR 26 HA TYR 26 10.641 11.542 4.599 143 HB2 TYR 26 1HB TYR 26 9.251 12.515 6.381 144 HB3 TYR 26 2HB TYR 26 9.386 11.022 7.303 145 HD1 TYR 26 1HD TYR 26 11.534 13.649 5.744 146 HD2 TYR 26 2HD TYR 26 11.047 10.845 8.907 147 HE1 TYR 26 1HE TYR 26 13.585 14.497 6.803 148 HE2 TYR 26 2HE TYR 26 13.095 11.687 9.976 149 HH TYR 26 HH TYR 26 15.055 14.221 8.452 150 H VAL 27 H VAL 27 12.594 10.896 5.928 151 HA VAL 27 HA VAL 27 13.552 8.448 5.256 152 HB VAL 27 HB VAL 27 14.244 9.832 7.850 153 HG11 VAL 27 1HG1 VAL 27 15.427 7.617 6.290 154 HG12 VAL 27 2HG1 VAL 27 16.550 8.795 6.972 155 HG13 VAL 27 3HG1 VAL 27 15.443 7.917 8.027 156 HG21 VAL 27 1HG2 VAL 27 14.397 11.452 6.096 157 HG22 VAL 27 2HG2 VAL 27 16.033 10.930 6.497 158 HG23 VAL 27 3HG2 VAL 27 15.241 10.314 5.047 159 H LEU 28 H LEU 28 12.336 9.185 8.532 160 HA LEU 28 HA LEU 28 12.142 6.380 9.167 161 HB2 LEU 28 1HB LEU 28 11.198 8.786 10.718 162 HB3 LEU 28 2HB LEU 28 11.323 7.140 11.334 163 HG LEU 28 HG LEU 28 13.623 8.905 10.495 164 HD11 LEU 28 1HD1 LEU 28 12.161 8.926 12.846 165 HD12 LEU 28 2HD1 LEU 28 13.780 9.583 12.607 166 HD13 LEU 28 3HD1 LEU 28 13.576 7.944 13.226 167 HD21 LEU 28 1HD2 LEU 28 13.587 6.111 11.630 168 HD22 LEU 28 2HD2 LEU 28 15.028 7.107 11.421 169 HD23 LEU 28 3HD2 LEU 28 14.105 6.582 10.011 170 H GLU 29 H GLU 29 10.007 8.925 8.118 171 HA GLU 29 HA GLU 29 7.623 7.349 8.651 172 HB2 GLU 29 1HB GLU 29 7.701 9.941 7.127 173 HB3 GLU 29 2HB GLU 29 6.375 9.256 8.055 174 HG2 GLU 29 1HG GLU 29 7.743 9.599 10.115 175 HG3 GLU 29 2HG GLU 29 8.912 10.466 9.120 176 H ARG 30 H ARG 30 8.961 5.788 7.075 177 HA ARG 30 HA ARG 30 7.407 5.683 4.673 178 HB2 ARG 30 1HB ARG 30 9.042 6.019 3.048 179 HB3 ARG 30 2HB ARG 30 9.386 7.286 4.218 180 HG2 ARG 30 1HG ARG 30 11.175 5.934 5.172 181 HG3 ARG 30 2HG ARG 30 10.822 4.648 4.016 182 HD2 ARG 30 1HD ARG 30 11.608 5.884 2.211 183 HD3 ARG 30 2HD ARG 30 11.445 7.417 3.067 184 HE ARG 30 HE ARG 30 13.551 7.122 3.901 185 HH11 ARG 30 2HH1 ARG 30 12.362 4.063 2.740 186 HH12 ARG 30 1HH1 ARG 30 13.869 3.241 2.972 187 HH21 ARG 30 2HH2 ARG 30 15.541 6.051 4.211 188 HH22 ARG 30 1HH2 ARG 30 15.677 4.373 3.810 189 H LEU 31 H LEU 31 6.999 3.610 4.286 190 HA LEU 31 HA LEU 31 8.831 1.597 5.403 191 HB2 LEU 31 1HB LEU 31 5.881 1.691 4.997 192 HB3 LEU 31 2HB LEU 31 6.694 0.128 4.964 193 HG LEU 31 HG LEU 31 7.669 0.941 7.264 194 HD11 LEU 31 1HD1 LEU 31 6.227 2.371 8.508 195 HD12 LEU 31 2HD1 LEU 31 5.061 2.443 7.188 196 HD13 LEU 31 3HD1 LEU 31 6.641 3.205 7.011 197 HD21 LEU 31 1HD2 LEU 31 6.137 -0.426 8.300 198 HD22 LEU 31 2HD2 LEU 31 5.966 -0.933 6.620 199 HD23 LEU 31 3HD2 LEU 31 4.787 0.169 7.333 200 H CYS 32 H CYS 32 10.243 1.212 3.760 201 HA CYS 32 HA CYS 32 9.492 1.033 1.028 202 HB2 CYS 32 1HB CYS 32 11.781 0.071 0.725 203 HB3 CYS 32 2HB CYS 32 11.761 1.608 1.582 204 HG CYS 32 HG CYS 32 11.697 -1.148 3.516 205 H VAL 33 H VAL 33 7.883 -0.450 0.691 206 HA VAL 33 HA VAL 33 8.609 -3.264 1.178 207 HB VAL 33 HB VAL 33 5.815 -2.119 1.289 208 HG11 VAL 33 1HG1 VAL 33 6.290 -4.772 2.400 209 HG12 VAL 33 2HG1 VAL 33 5.019 -4.209 1.313 210 HG13 VAL 33 3HG1 VAL 33 6.591 -4.679 0.666 211 HG21 VAL 33 1HG2 VAL 33 6.626 -1.414 3.302 212 HG22 VAL 33 2HG2 VAL 33 6.163 -3.058 3.743 213 HG23 VAL 33 3HG2 VAL 33 7.848 -2.684 3.381 214 H ASN 34 H ASN 34 8.731 -4.449 -0.607 215 HA ASN 34 HA ASN 34 8.667 -5.020 -2.814 216 HB2 ASN 34 1HB ASN 34 5.830 -4.208 -2.223 217 HB3 ASN 34 2HB ASN 34 6.293 -4.798 -3.816 218 HD21 ASN 34 1HD2 ASN 34 4.859 -5.741 -1.132 219 HD22 ASN 34 2HD2 ASN 34 5.327 -7.403 -1.067 220 H GLY 35 H GLY 35 9.503 -2.288 -2.203 221 HA2 GLY 35 1HA GLY 35 10.351 -0.679 -3.691 222 HA3 GLY 35 2HA GLY 35 9.180 -1.204 -4.892 223 H HIS 36 H HIS 36 6.973 -1.048 -2.912 224 HA HIS 36 HA HIS 36 6.419 1.776 -3.273 225 HB2 HIS 36 1HB HIS 36 4.734 -0.529 -2.287 226 HB3 HIS 36 2HB HIS 36 4.152 1.131 -2.362 227 HD1 HIS 36 1HD HIS 36 4.386 2.205 -4.913 228 HD2 HIS 36 2HD HIS 36 4.223 -1.930 -4.539 229 HE1 HIS 36 1HE HIS 36 3.726 1.350 -7.184 230 H PHE 37 H PHE 37 6.146 3.272 -1.674 231 HA PHE 37 HA PHE 37 7.069 2.469 0.994 232 HB2 PHE 37 1HB PHE 37 6.894 5.244 -0.198 233 HB3 PHE 37 2HB PHE 37 7.628 4.816 1.344 234 HD1 PHE 37 1HD PHE 37 7.890 4.083 -2.296 235 HD2 PHE 37 2HD PHE 37 9.894 4.396 1.446 236 HE1 PHE 37 1HE PHE 37 10.048 3.736 -3.426 237 HE2 PHE 37 2HE PHE 37 12.055 4.050 0.322 238 HZ PHE 37 HZ PHE 37 12.134 3.720 -2.118 239 H PHE 38 H PHE 38 5.962 3.093 2.858 240 HA PHE 38 HA PHE 38 3.378 4.406 2.573 241 HB2 PHE 38 1HB PHE 38 3.525 1.764 4.013 242 HB3 PHE 38 2HB PHE 38 2.093 2.663 3.526 243 HD1 PHE 38 1HD PHE 38 4.934 0.667 2.264 244 HD2 PHE 38 2HD PHE 38 1.114 2.341 1.412 245 HE1 PHE 38 1HE PHE 38 4.825 -0.648 0.187 246 HE2 PHE 38 2HE PHE 38 0.999 1.029 -0.666 247 HZ PHE 38 HZ PHE 38 2.855 -0.468 -1.281 248 H HIS 39 H HIS 39 2.460 5.077 4.613 249 HA HIS 39 HA HIS 39 4.449 6.004 6.432 250 HB2 HIS 39 1HB HIS 39 1.430 6.104 6.549 251 HB3 HIS 39 2HB HIS 39 2.489 6.906 7.704 252 HD2 HIS 39 2HD HIS 39 4.446 8.638 6.043 253 HE1 HIS 39 1HE HIS 39 1.176 9.761 3.585 254 HE2 HIS 39 2HE HIS 39 3.560 10.256 4.230 255 H ARG 40 H ARG 40 4.568 5.575 8.701 256 HA ARG 40 HA ARG 40 4.452 2.807 9.322 257 HB2 ARG 40 1HB ARG 40 4.979 5.236 11.038 258 HB3 ARG 40 2HB ARG 40 5.098 3.584 11.630 259 HG2 ARG 40 1HG ARG 40 6.627 4.242 9.186 260 HG3 ARG 40 2HG ARG 40 7.188 4.946 10.705 261 HD2 ARG 40 1HD ARG 40 7.517 2.832 11.684 262 HD3 ARG 40 2HD ARG 40 6.570 2.019 10.439 263 HE ARG 40 HE ARG 40 8.803 3.283 9.269 264 HH11 ARG 40 2HH1 ARG 40 7.968 0.573 11.290 265 HH12 ARG 40 1HH1 ARG 40 9.325 -0.382 10.793 266 HH21 ARG 40 2HH2 ARG 40 10.593 2.035 8.607 267 HH22 ARG 40 1HH2 ARG 40 10.818 0.450 9.268 268 H SER 41 H SER 41 2.219 5.396 9.641 269 HA SER 41 HA SER 41 0.618 3.988 11.635 270 HB2 SER 41 1HB SER 41 -0.888 6.086 11.253 271 HB3 SER 41 2HB SER 41 0.630 6.267 12.132 272 HG SER 41 HG SER 41 0.529 6.630 9.340 273 H CYS 42 H CYS 42 0.465 5.034 8.265 274 HA CYS 42 HA CYS 42 -2.178 4.208 7.751 275 HB2 CYS 42 1HB CYS 42 0.173 4.452 5.862 276 HB3 CYS 42 2HB CYS 42 -1.506 4.270 5.364 277 H PHE 43 H PHE 43 0.916 2.581 7.057 278 HA PHE 43 HA PHE 43 -0.103 0.230 5.997 279 HB2 PHE 43 1HB PHE 43 2.340 1.023 6.162 280 HB3 PHE 43 2HB PHE 43 2.340 0.279 7.758 281 HD1 PHE 43 2HD PHE 43 1.118 -0.674 4.358 282 HD2 PHE 43 1HD PHE 43 3.354 -1.767 7.811 283 HE1 PHE 43 2HE PHE 43 1.625 -2.854 3.335 284 HE2 PHE 43 1HE PHE 43 3.866 -3.948 6.794 285 HZ PHE 43 HZ PHE 43 3.000 -4.495 4.553 286 H ARG 44 H ARG 44 -1.847 -0.644 7.025 287 HA ARG 44 HA ARG 44 -1.302 -1.917 9.606 288 HB2 ARG 44 1HB ARG 44 -3.831 -0.376 8.990 289 HB3 ARG 44 2HB ARG 44 -3.513 -1.293 10.457 290 HG2 ARG 44 1HG ARG 44 -1.796 0.224 11.121 291 HG3 ARG 44 2HG ARG 44 -1.864 1.059 9.567 292 HD2 ARG 44 1HD ARG 44 -3.985 1.974 10.040 293 HD3 ARG 44 2HD ARG 44 -4.237 0.884 11.402 294 HE ARG 44 HE ARG 44 -2.072 2.271 12.176 295 HH11 ARG 44 2HH1 ARG 44 -5.153 3.266 10.897 296 HH12 ARG 44 1HH1 ARG 44 -5.163 4.777 11.745 297 HH21 ARG 44 2HH2 ARG 44 -2.074 4.257 13.298 298 HH22 ARG 44 1HH2 ARG 44 -3.412 5.340 13.110 299 H CYS 45 H CYS 45 -3.188 -3.478 10.139 300 HA CYS 45 HA CYS 45 -3.278 -5.467 8.206 301 HB2 CYS 45 1HB CYS 45 -3.754 -5.714 10.673 302 HB3 CYS 45 2HB CYS 45 -5.360 -5.064 10.358 303 H HIS 46 H HIS 46 -5.272 -6.387 7.191 304 HA HIS 46 HA HIS 46 -6.804 -4.216 5.940 305 HB2 HIS 46 1HB HIS 46 -5.588 -5.539 4.339 306 HB3 HIS 46 2HB HIS 46 -6.217 -7.035 5.023 307 HD1 HIS 46 1HD HIS 46 -6.945 -4.441 2.536 308 HD2 HIS 46 2HD HIS 46 -9.025 -7.461 4.489 309 HE1 HIS 46 1HE HIS 46 -9.061 -4.762 1.216 310 H THR 47 H THR 47 -7.117 -6.442 8.345 311 HA THR 47 HA THR 47 -10.028 -6.668 7.931 312 HB THR 47 HB THR 47 -8.103 -8.612 9.191 313 HG1 THR 47 1HG THR 47 -8.584 -9.740 7.462 314 HG21 THR 47 1HG2 THR 47 -10.022 -8.273 10.721 315 HG22 THR 47 2HG2 THR 47 -9.985 -9.892 10.021 316 HG23 THR 47 3HG2 THR 47 -11.115 -8.688 9.401 317 H CYS 48 H CYS 48 -7.427 -5.975 10.171 318 HA CYS 48 HA CYS 48 -9.423 -4.967 12.091 319 HB2 CYS 48 1HB CYS 48 -7.793 -5.465 13.888 320 HB3 CYS 48 2HB CYS 48 -8.310 -6.913 13.030 321 H GLU 49 H GLU 49 -7.012 -4.149 9.961 322 HA GLU 49 HA GLU 49 -5.709 -2.309 9.619 323 HB2 GLU 49 1HB GLU 49 -7.801 -0.903 11.282 324 HB3 GLU 49 2HB GLU 49 -6.760 -0.188 10.060 325 HG2 GLU 49 1HG GLU 49 -8.652 -0.399 8.839 326 HG3 GLU 49 2HG GLU 49 -7.942 -1.980 8.521 327 H ALA 50 H ALA 50 -4.584 -3.772 11.536 328 HA ALA 50 HA ALA 50 -3.960 -1.953 13.757 329 HB1 ALA 50 1HB ALA 50 -3.787 -4.915 13.416 330 HB2 ALA 50 2HB ALA 50 -2.771 -4.107 14.610 331 HB3 ALA 50 3HB ALA 50 -4.527 -3.974 14.712 332 H THR 51 H THR 51 -1.984 -1.077 14.002 333 HA THR 51 HA THR 51 -0.227 -0.645 11.994 334 HB THR 51 HB THR 51 0.666 -1.018 14.857 335 HG1 THR 51 1HG THR 51 -1.080 0.395 14.852 336 HG21 THR 51 1HG2 THR 51 2.209 0.891 14.170 337 HG22 THR 51 2HG2 THR 51 1.753 0.516 12.508 338 HG23 THR 51 3HG2 THR 51 2.566 -0.698 13.495 339 H LEU 52 H LEU 52 0.471 -2.224 10.663 340 HA LEU 52 HA LEU 52 1.306 -4.796 11.594 341 HB2 LEU 52 1HB LEU 52 1.664 -3.468 8.911 342 HB3 LEU 52 2HB LEU 52 1.986 -5.166 9.256 343 HG LEU 52 HG LEU 52 -0.716 -3.830 9.401 344 HD11 LEU 52 1HD1 LEU 52 -0.416 -5.953 7.473 345 HD12 LEU 52 2HD1 LEU 52 0.718 -4.640 7.159 346 HD13 LEU 52 3HD1 LEU 52 -1.011 -4.308 7.254 347 HD21 LEU 52 1HD2 LEU 52 -1.611 -6.005 9.792 348 HD22 LEU 52 2HD2 LEU 52 -0.335 -5.734 10.979 349 HD23 LEU 52 3HD2 LEU 52 -0.032 -6.758 9.574 350 H TRP 53 H TRP 53 3.037 -4.710 12.944 351 HA TRP 53 HA TRP 53 5.287 -3.030 12.554 352 HB2 TRP 53 1HB TRP 53 5.471 -5.575 14.121 353 HB3 TRP 53 2HB TRP 53 6.164 -3.994 14.473 354 HD1 TRP 53 HD TRP 53 2.868 -5.942 14.751 355 HE1 TRP 53 1HE TRP 53 1.361 -4.753 16.467 356 HE3 TRP 53 3HE TRP 53 5.702 -1.766 15.565 357 HZ2 TRP 53 2HZ TRP 53 1.373 -2.362 17.966 358 HZ3 TRP 53 3HZ TRP 53 4.883 -0.076 17.155 359 HH2 TRP 53 HH TRP 53 2.763 -0.369 18.329 360 HA PRO 54 HA PRO 54 7.753 -5.246 9.679 361 HB2 PRO 54 1HB PRO 54 10.253 -4.757 10.619 362 HB3 PRO 54 2HB PRO 54 9.267 -3.524 9.823 363 HG2 PRO 54 1HG PRO 54 9.720 -3.992 12.745 364 HG3 PRO 54 2HG PRO 54 9.688 -2.462 11.849 365 HD2 PRO 54 1HD PRO 54 7.582 -3.342 13.305 366 HD3 PRO 54 2HD PRO 54 7.384 -2.379 11.827 367 H GLY 55 H GLY 55 7.178 -6.390 12.670 368 HA2 GLY 55 1HA GLY 55 8.689 -8.848 12.129 369 HA3 GLY 55 2HA GLY 55 8.869 -8.086 13.702 370 H GLY 56 H GLY 56 5.904 -8.311 11.792 371 HA2 GLY 56 1HA GLY 56 4.817 -10.557 13.113 372 HA3 GLY 56 2HA GLY 56 4.305 -9.097 13.946 373 H TYR 57 H TYR 57 4.749 -9.864 10.498 374 HA TYR 57 HA TYR 57 1.914 -9.748 10.003 375 HB2 TYR 57 1HB TYR 57 1.812 -7.780 8.732 376 HB3 TYR 57 2HB TYR 57 2.778 -7.323 10.130 377 HD1 TYR 57 2HD TYR 57 5.384 -7.593 9.805 378 HD2 TYR 57 1HD TYR 57 2.583 -7.228 6.623 379 HE1 TYR 57 2HE TYR 57 7.185 -6.828 8.314 380 HE2 TYR 57 1HE TYR 57 4.376 -6.463 5.124 381 HH TYR 57 HH TYR 57 6.903 -6.713 4.999 382 H GLU 58 H GLU 58 1.409 -10.095 7.688 383 HA GLU 58 HA GLU 58 3.560 -11.061 6.008 384 HB2 GLU 58 1HB GLU 58 1.598 -12.875 7.346 385 HB3 GLU 58 2HB GLU 58 2.124 -13.254 5.712 386 HG2 GLU 58 1HG GLU 58 4.453 -13.251 6.470 387 HG3 GLU 58 2HG GLU 58 3.909 -12.903 8.110 388 H GLN 59 H GLN 59 3.008 -11.182 3.838 389 HA GLN 59 HA GLN 59 0.422 -9.966 3.172 390 HB2 GLN 59 1HB GLN 59 2.266 -8.697 2.332 391 HB3 GLN 59 2HB GLN 59 3.029 -10.133 1.661 392 HG2 GLN 59 1HG GLN 59 0.783 -10.259 0.287 393 HG3 GLN 59 2HG GLN 59 0.755 -8.530 0.630 394 HE21 GLN 59 1HE2 GLN 59 0.874 -8.669 -1.820 395 HE22 GLN 59 2HE2 GLN 59 2.456 -8.613 -2.511 396 H HIS 60 H HIS 60 -1.086 -11.445 2.748 397 HA HIS 60 HA HIS 60 -0.626 -14.081 1.928 398 HB2 HIS 60 1HB HIS 60 -2.747 -13.030 2.951 399 HB3 HIS 60 2HB HIS 60 -3.163 -12.589 1.297 400 HD1 HIS 60 1HD HIS 60 -4.348 -14.321 -0.038 401 HD2 HIS 60 2HD HIS 60 -2.449 -15.933 3.287 402 HE1 HIS 60 1HE HIS 60 -5.054 -16.733 0.036 403 HA PRO 61 HA PRO 61 0.369 -13.512 -2.347 404 HB2 PRO 61 1HB PRO 61 0.186 -16.119 -3.084 405 HB3 PRO 61 2HB PRO 61 1.551 -15.474 -2.164 406 HG2 PRO 61 1HG PRO 61 -0.846 -16.980 -1.191 407 HG3 PRO 61 2HG PRO 61 0.855 -17.164 -0.726 408 HD2 PRO 61 1HD PRO 61 -0.931 -15.807 0.790 409 HD3 PRO 61 2HD PRO 61 0.787 -15.365 0.713 410 H GLY 62 H GLY 62 -2.576 -14.904 -1.153 411 HA2 GLY 62 1HA GLY 62 -3.917 -15.476 -3.535 412 HA3 GLY 62 2HA GLY 62 -4.694 -15.006 -2.030 413 H ASP 63 H ASP 63 -5.466 -12.954 -1.786 414 HA ASP 63 HA ASP 63 -6.160 -11.490 -4.051 415 HB2 ASP 63 1HB ASP 63 -6.031 -10.696 -1.141 416 HB3 ASP 63 2HB ASP 63 -6.679 -9.639 -2.392 417 H GLY 64 H GLY 64 -3.487 -11.026 -1.773 418 HA2 GLY 64 1HA GLY 64 -1.360 -10.222 -2.563 419 HA3 GLY 64 2HA GLY 64 -2.215 -9.281 -3.776 420 H HIS 65 H HIS 65 -2.817 -9.539 -0.290 421 HA HIS 65 HA HIS 65 -2.158 -6.679 -0.047 422 HB2 HIS 65 1HB HIS 65 -4.514 -8.154 1.137 423 HB3 HIS 65 2HB HIS 65 -4.015 -6.546 1.652 424 HD1 HIS 65 1HD HIS 65 -3.713 -4.918 -0.718 425 HD2 HIS 65 2HD HIS 65 -6.562 -7.940 -0.594 426 HE1 HIS 65 1HE HIS 65 -5.403 -4.322 -2.482 427 H PHE 66 H PHE 66 -2.202 -6.169 2.498 428 HA PHE 66 HA PHE 66 -0.385 -8.144 3.707 429 HB2 PHE 66 1HB PHE 66 -0.559 -5.148 4.044 430 HB3 PHE 66 2HB PHE 66 0.419 -6.179 5.083 431 HD1 PHE 66 2HD PHE 66 0.024 -4.838 1.692 432 HD2 PHE 66 1HD PHE 66 2.473 -7.130 4.312 433 HE1 PHE 66 2HE PHE 66 1.874 -4.704 0.075 434 HE2 PHE 66 1HE PHE 66 4.327 -6.999 2.699 435 HZ PHE 66 HZ PHE 66 4.028 -5.786 0.577 436 H TYR 67 H TYR 67 -1.099 -9.212 5.421 437 HA TYR 67 HA TYR 67 -3.171 -7.965 7.101 438 HB2 TYR 67 1HB TYR 67 -3.033 -10.913 6.456 439 HB3 TYR 67 2HB TYR 67 -4.306 -10.070 7.332 440 HD1 TYR 67 2HD TYR 67 -2.706 -10.373 3.995 441 HD2 TYR 67 1HD TYR 67 -6.139 -9.146 6.189 442 HE1 TYR 67 2HE TYR 67 -3.928 -10.041 1.887 443 HE2 TYR 67 1HE TYR 67 -7.371 -8.812 4.087 444 HH TYR 67 HH TYR 67 -6.048 -9.800 1.006 445 H CYS 68 H CYS 68 -3.306 -8.941 9.294 446 HA CYS 68 HA CYS 68 -0.694 -9.062 10.457 447 HB2 CYS 68 1HB CYS 68 -1.850 -9.193 12.585 448 HB3 CYS 68 2HB CYS 68 -2.624 -7.975 11.576 449 H LEU 69 H LEU 69 -0.309 -10.807 12.210 450 HA LEU 69 HA LEU 69 -0.316 -13.352 10.848 451 HB2 LEU 69 1HB LEU 69 0.690 -12.770 13.622 452 HB3 LEU 69 2HB LEU 69 1.148 -14.103 12.565 453 HG LEU 69 HG LEU 69 1.845 -11.194 12.167 454 HD11 LEU 69 1HD1 LEU 69 4.194 -12.314 12.394 455 HD12 LEU 69 2HD1 LEU 69 3.298 -13.548 13.280 456 HD13 LEU 69 3HD1 LEU 69 3.273 -11.873 13.832 457 HD21 LEU 69 1HD2 LEU 69 2.865 -13.532 10.581 458 HD22 LEU 69 2HD2 LEU 69 3.011 -11.811 10.225 459 HD23 LEU 69 3HD2 LEU 69 1.445 -12.611 10.088 460 H GLN 70 H GLN 70 -2.779 -12.015 12.141 461 HA GLN 70 HA GLN 70 -3.678 -14.429 13.566 462 HB2 GLN 70 1HB GLN 70 -3.392 -12.689 15.214 463 HB3 GLN 70 2HB GLN 70 -4.300 -11.549 14.230 464 HG2 GLN 70 1HG GLN 70 -6.333 -12.638 14.645 465 HG3 GLN 70 2HG GLN 70 -5.529 -14.080 15.263 466 HE21 GLN 70 1HE2 GLN 70 -7.355 -13.335 16.872 467 HE22 GLN 70 2HE2 GLN 70 -6.774 -12.428 18.223 468 H HIS 71 H HIS 71 -4.109 -12.346 10.981 469 HA HIS 71 HA HIS 71 -6.852 -13.338 10.564 470 HB2 HIS 71 1HB HIS 71 -5.688 -10.616 10.083 471 HB3 HIS 71 2HB HIS 71 -7.029 -11.183 9.092 472 HD2 HIS 71 2HD HIS 71 -8.009 -12.644 12.261 473 HE1 HIS 71 1HE HIS 71 -9.271 -8.610 12.636 474 HE2 HIS 71 2HE HIS 71 -9.398 -10.929 13.611 475 H LEU 72 H LEU 72 -3.669 -12.946 9.338 476 HA LEU 72 HA LEU 72 -3.950 -13.060 6.611 477 HB2 LEU 72 1HB LEU 72 -1.815 -12.935 7.903 478 HB3 LEU 72 2HB LEU 72 -1.953 -14.668 8.193 479 HG LEU 72 HG LEU 72 -2.074 -14.684 5.524 480 HD11 LEU 72 1HD1 LEU 72 0.048 -12.782 5.463 481 HD12 LEU 72 2HD1 LEU 72 -1.399 -12.008 6.107 482 HD13 LEU 72 3HD1 LEU 72 -1.451 -12.804 4.534 483 HD21 LEU 72 1HD2 LEU 72 0.313 -14.640 7.344 484 HD22 LEU 72 2HD2 LEU 72 0.464 -14.959 5.615 485 HD23 LEU 72 3HD2 LEU 72 -0.506 -16.028 6.628 486 HA PRO 73 HA PRO 73 -6.257 -16.868 6.175 487 HB2 PRO 73 1HB PRO 73 -6.564 -16.665 3.485 488 HB3 PRO 73 2HB PRO 73 -7.541 -15.746 4.635 489 HG2 PRO 73 1HG PRO 73 -5.141 -14.878 3.070 490 HG3 PRO 73 2HG PRO 73 -6.655 -14.004 3.375 491 HD2 PRO 73 1HD PRO 73 -4.382 -13.508 4.761 492 HD3 PRO 73 2HD PRO 73 -5.996 -13.343 5.482 493 H GLN 74 H GLN 74 -6.066 -18.756 4.569 494 HA GLN 74 HA GLN 74 -3.416 -19.164 3.471 495 HB2 GLN 74 1HB GLN 74 -4.365 -20.462 5.969 496 HB3 GLN 74 2HB GLN 74 -3.501 -21.474 4.820 497 HG2 GLN 74 1HG GLN 74 -1.647 -19.817 4.855 498 HG3 GLN 74 2HG GLN 74 -2.501 -18.963 6.139 499 HE21 GLN 74 1HE2 GLN 74 -1.091 -19.279 7.773 500 HE22 GLN 74 2HE2 GLN 74 -0.680 -20.828 8.417 501 H THR 75 H THR 75 -3.444 -20.505 1.755 502 HA THR 75 HA THR 75 -5.838 -21.236 0.537 503 HB THR 75 HB THR 75 -4.456 -22.669 -0.958 504 HG1 THR 75 1HG THR 75 -2.720 -23.437 -0.007 505 HG21 THR 75 1HG2 THR 75 -3.182 -19.987 -0.412 506 HG22 THR 75 2HG2 THR 75 -4.690 -20.210 -1.299 507 HG23 THR 75 3HG2 THR 75 -3.185 -20.873 -1.936 508 H ASP 76 H ASP 76 -6.749 -23.317 0.104 509 HA ASP 76 HA ASP 76 -6.126 -25.352 2.141 510 HB2 ASP 76 1HB ASP 76 -8.814 -24.320 1.252 511 HB3 ASP 76 2HB ASP 76 -8.633 -25.891 2.027 512 H SER 77 H SER 77 -7.582 -24.722 -1.029 513 HA SER 77 HA SER 77 -7.277 -27.542 -1.741 514 HB2 SER 77 1HB SER 77 -9.424 -26.422 -2.257 515 HB3 SER 77 2HB SER 77 -8.566 -25.286 -3.298 516 HG SER 77 HG SER 77 -8.681 -26.721 -4.811 517 H GLY 78 H GLY 78 -6.323 -28.105 -3.833 518 HA2 GLY 78 1HA GLY 78 -4.693 -26.264 -5.262 519 HA3 GLY 78 2HA GLY 78 -3.723 -27.196 -4.131 520 HA PRO 79 HA PRO 79 -4.130 -29.504 -8.178 521 HB2 PRO 79 1HB PRO 79 -1.463 -29.783 -8.599 522 HB3 PRO 79 2HB PRO 79 -2.382 -28.382 -9.161 523 HG2 PRO 79 1HG PRO 79 -0.661 -28.667 -6.729 524 HG3 PRO 79 2HG PRO 79 -0.766 -27.316 -7.873 525 HD2 PRO 79 1HD PRO 79 -2.005 -27.286 -5.466 526 HD3 PRO 79 2HD PRO 79 -2.673 -26.471 -6.894 527 H SER 80 H SER 80 -4.529 -31.599 -7.899 528 HA SER 80 HA SER 80 -4.533 -33.697 -6.998 529 HB2 SER 80 1HB SER 80 -2.395 -34.840 -7.052 530 HB3 SER 80 2HB SER 80 -2.491 -33.743 -8.429 531 HG SER 80 HG SER 80 -1.235 -33.079 -5.975 532 H SER 81 H SER 81 -4.969 -31.740 -5.079 533 HA SER 81 HA SER 81 -3.420 -31.618 -2.841 534 HB2 SER 81 1HB SER 81 -5.846 -30.693 -3.377 535 HB3 SER 81 2HB SER 81 -6.341 -32.094 -2.427 536 HG SER 81 HG SER 81 -5.577 -29.790 -1.502 537 H GLY 82 H GLY 82 -5.916 -34.102 -3.432 538 HA2 GLY 82 1HA GLY 82 -6.150 -36.233 -2.613 539 HA3 GLY 82 2HA GLY 82 -4.394 -36.264 -2.534 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -2.792 24.873 -40.817 2 HA2 GLY 1 1HA GLY 1 -3.246 24.946 -38.179 3 HA3 GLY 1 2HA GLY 1 -2.849 23.250 -38.409 4 H SER 2 H SER 2 -0.741 22.658 -38.968 5 HA SER 2 HA SER 2 1.509 22.826 -38.477 6 HB2 SER 2 1HB SER 2 2.674 24.018 -40.192 7 HB3 SER 2 2HB SER 2 1.181 23.424 -40.918 8 HG SER 2 HG SER 2 0.315 25.574 -40.379 9 H SER 3 H SER 3 0.129 24.124 -36.477 10 HA SER 3 HA SER 3 2.099 26.070 -35.642 11 HB2 SER 3 1HB SER 3 0.188 27.270 -36.937 12 HB3 SER 3 2HB SER 3 -0.772 26.950 -35.492 13 HG SER 3 HG SER 3 0.943 28.023 -34.307 14 H GLY 4 H GLY 4 2.003 26.541 -33.373 15 HA2 GLY 4 1HA GLY 4 0.085 25.545 -31.597 16 HA3 GLY 4 2HA GLY 4 1.319 24.308 -31.791 17 H SER 5 H SER 5 1.158 25.061 -29.334 18 HA SER 5 HA SER 5 3.648 26.247 -28.736 19 HB2 SER 5 1HB SER 5 2.582 28.347 -29.301 20 HB3 SER 5 2HB SER 5 1.209 27.975 -28.258 21 HG SER 5 HG SER 5 2.849 27.891 -26.521 22 H SER 6 H SER 6 4.171 24.898 -27.149 23 HA SER 6 HA SER 6 2.809 24.946 -24.656 24 HB2 SER 6 1HB SER 6 1.901 22.760 -24.547 25 HB3 SER 6 2HB SER 6 1.354 23.407 -26.093 26 HG SER 6 HG SER 6 2.980 22.226 -27.114 27 H GLY 7 H GLY 7 3.864 23.588 -23.031 28 HA2 GLY 7 1HA GLY 7 6.171 22.060 -23.567 29 HA3 GLY 7 2HA GLY 7 6.656 23.707 -23.191 30 H GLN 8 H GLN 8 4.633 21.061 -21.943 31 HA GLN 8 HA GLN 8 5.745 21.493 -19.295 32 HB2 GLN 8 1HB GLN 8 3.594 22.910 -19.659 33 HB3 GLN 8 2HB GLN 8 2.756 21.370 -19.525 34 HG2 GLN 8 1HG GLN 8 2.763 22.464 -17.392 35 HG3 GLN 8 2HG GLN 8 3.786 21.030 -17.317 36 HE21 GLN 8 1HE2 GLN 8 4.405 22.412 -15.354 37 HE22 GLN 8 2HE2 GLN 8 5.758 23.463 -15.577 38 H HIS 9 H HIS 9 6.503 19.517 -18.899 39 HA HIS 9 HA HIS 9 4.635 17.284 -18.893 40 HB2 HIS 9 1HB HIS 9 6.107 15.812 -20.149 41 HB3 HIS 9 2HB HIS 9 5.700 17.218 -21.128 42 HD1 HIS 9 1HD HIS 9 8.467 15.186 -20.437 43 HD2 HIS 9 2HD HIS 9 7.935 19.300 -20.665 44 HE1 HIS 9 1HE HIS 9 10.762 16.140 -20.824 45 H GLN 10 H GLN 10 4.748 16.791 -16.790 46 HA GLN 10 HA GLN 10 7.333 16.801 -15.432 47 HB2 GLN 10 1HB GLN 10 4.541 16.404 -14.341 48 HB3 GLN 10 2HB GLN 10 6.007 16.497 -13.374 49 HG2 GLN 10 1HG GLN 10 5.169 18.723 -15.198 50 HG3 GLN 10 2HG GLN 10 4.568 18.587 -13.546 51 HE21 GLN 10 1HE2 GLN 10 6.207 20.664 -14.742 52 HE22 GLN 10 2HE2 GLN 10 7.663 20.729 -13.814 53 H GLU 11 H GLU 11 8.329 14.961 -16.230 54 HA GLU 11 HA GLU 11 7.046 12.412 -15.494 55 HB2 GLU 11 1HB GLU 11 8.310 11.358 -17.318 56 HB3 GLU 11 2HB GLU 11 7.242 12.621 -17.914 57 HG2 GLU 11 1HG GLU 11 9.111 13.127 -19.092 58 HG3 GLU 11 2HG GLU 11 9.411 14.097 -17.651 59 H ALA 12 H ALA 12 8.560 13.911 -13.669 60 HA ALA 12 HA ALA 12 10.873 12.127 -13.315 61 HB1 ALA 12 1HB ALA 12 12.236 13.866 -13.566 62 HB2 ALA 12 2HB ALA 12 10.887 15.002 -13.597 63 HB3 ALA 12 3HB ALA 12 11.582 14.501 -12.056 64 H GLY 13 H GLY 13 9.401 10.911 -11.956 65 HA2 GLY 13 1HA GLY 13 9.470 11.889 -9.216 66 HA3 GLY 13 2HA GLY 13 7.870 11.587 -9.878 67 H ALA 14 H ALA 14 10.103 10.284 -7.950 68 HA ALA 14 HA ALA 14 9.883 7.538 -8.907 69 HB1 ALA 14 1HB ALA 14 11.243 8.359 -6.367 70 HB2 ALA 14 2HB ALA 14 11.581 6.982 -7.417 71 HB3 ALA 14 3HB ALA 14 12.011 8.612 -7.934 72 H GLY 15 H GLY 15 7.461 8.806 -8.089 73 HA2 GLY 15 1HA GLY 15 5.717 8.629 -6.565 74 HA3 GLY 15 2HA GLY 15 6.093 6.923 -6.755 75 H ASP 16 H ASP 16 7.699 9.628 -5.079 76 HA ASP 16 HA ASP 16 8.235 7.909 -2.810 77 HB2 ASP 16 1HB ASP 16 8.839 10.856 -2.961 78 HB3 ASP 16 2HB ASP 16 9.666 9.614 -2.024 79 H LEU 17 H LEU 17 5.511 8.250 -3.177 80 HA LEU 17 HA LEU 17 4.813 9.768 -0.761 81 HB2 LEU 17 1HB LEU 17 2.946 9.646 -3.096 82 HB3 LEU 17 2HB LEU 17 2.949 10.764 -1.734 83 HG LEU 17 HG LEU 17 5.168 10.810 -3.748 84 HD11 LEU 17 1HD1 LEU 17 3.727 12.748 -4.732 85 HD12 LEU 17 2HD1 LEU 17 2.381 11.829 -4.058 86 HD13 LEU 17 3HD1 LEU 17 3.448 11.084 -5.249 87 HD21 LEU 17 1HD2 LEU 17 5.736 12.188 -2.002 88 HD22 LEU 17 2HD2 LEU 17 4.061 12.613 -1.647 89 HD23 LEU 17 3HD2 LEU 17 4.872 13.317 -3.046 90 H CYS 18 H CYS 18 3.514 8.724 0.634 91 HA CYS 18 HA CYS 18 3.186 6.088 0.827 92 HB2 CYS 18 1HB CYS 18 2.393 7.720 2.514 93 HB3 CYS 18 2HB CYS 18 0.987 8.052 1.508 94 H ALA 19 H ALA 19 1.731 4.479 0.219 95 HA ALA 19 HA ALA 19 0.425 4.958 -2.340 96 HB1 ALA 19 1HB ALA 19 0.296 2.567 -2.547 97 HB2 ALA 19 2HB ALA 19 1.923 3.006 -2.026 98 HB3 ALA 19 3HB ALA 19 0.770 2.354 -0.862 99 H LEU 20 H LEU 20 -0.372 4.456 0.986 100 HA LEU 20 HA LEU 20 -3.067 3.603 0.574 101 HB2 LEU 20 1HB LEU 20 -1.397 4.427 2.875 102 HB3 LEU 20 2HB LEU 20 -3.143 4.580 3.063 103 HG LEU 20 HG LEU 20 -3.087 2.070 2.215 104 HD11 LEU 20 1HD1 LEU 20 -0.957 1.422 1.901 105 HD12 LEU 20 2HD1 LEU 20 -0.969 1.210 3.652 106 HD13 LEU 20 3HD1 LEU 20 -0.306 2.684 2.947 107 HD21 LEU 20 1HD2 LEU 20 -2.369 1.835 4.924 108 HD22 LEU 20 2HD2 LEU 20 -3.991 1.909 4.235 109 HD23 LEU 20 3HD2 LEU 20 -3.184 3.390 4.753 110 H CYS 21 H CYS 21 -1.914 6.606 2.110 111 HA CYS 21 HA CYS 21 -4.362 7.960 1.420 112 HB2 CYS 21 1HB CYS 21 -3.244 9.922 2.532 113 HB3 CYS 21 2HB CYS 21 -3.405 8.493 3.548 114 H GLY 22 H GLY 22 -0.918 8.396 0.611 115 HA2 GLY 22 1HA GLY 22 -0.225 8.835 -1.647 116 HA3 GLY 22 2HA GLY 22 -1.775 9.614 -1.928 117 H GLU 23 H GLU 23 0.513 10.074 0.742 118 HA GLU 23 HA GLU 23 0.801 12.878 -0.119 119 HB2 GLU 23 1HB GLU 23 0.646 11.760 2.684 120 HB3 GLU 23 2HB GLU 23 1.083 13.421 2.309 121 HG2 GLU 23 1HG GLU 23 -1.496 12.254 1.343 122 HG3 GLU 23 2HG GLU 23 -1.339 12.899 2.977 123 H HIS 24 H HIS 24 2.784 13.891 1.094 124 HA HIS 24 HA HIS 24 5.096 12.776 0.050 125 HB2 HIS 24 1HB HIS 24 4.567 15.153 1.098 126 HB3 HIS 24 2HB HIS 24 5.302 14.432 2.526 127 HD1 HIS 24 1HD HIS 24 6.140 16.184 -0.514 128 HD2 HIS 24 2HD HIS 24 8.024 13.413 1.941 129 HE1 HIS 24 1HE HIS 24 8.584 16.329 -1.089 130 H LEU 25 H LEU 25 7.000 11.945 1.195 131 HA LEU 25 HA LEU 25 6.307 10.367 3.579 132 HB2 LEU 25 1HB LEU 25 7.800 9.456 1.129 133 HB3 LEU 25 2HB LEU 25 7.788 8.566 2.650 134 HG LEU 25 HG LEU 25 5.259 9.211 1.158 135 HD11 LEU 25 1HD1 LEU 25 7.327 7.216 0.542 136 HD12 LEU 25 2HD1 LEU 25 6.066 7.904 -0.481 137 HD13 LEU 25 3HD1 LEU 25 5.679 6.594 0.635 138 HD21 LEU 25 1HD2 LEU 25 5.888 7.981 3.646 139 HD22 LEU 25 2HD2 LEU 25 5.210 6.758 2.571 140 HD23 LEU 25 3HD2 LEU 25 4.307 8.236 2.907 141 H TYR 26 H TYR 26 7.884 10.160 5.123 142 HA TYR 26 HA TYR 26 10.140 11.986 4.866 143 HB2 TYR 26 1HB TYR 26 8.568 11.890 6.891 144 HB3 TYR 26 2HB TYR 26 9.407 10.404 7.323 145 HD1 TYR 26 1HD TYR 26 10.725 13.603 5.926 146 HD2 TYR 26 2HD TYR 26 10.671 10.896 9.208 147 HE1 TYR 26 1HE TYR 26 12.478 14.923 7.036 148 HE2 TYR 26 2HE TYR 26 12.423 12.210 10.328 149 HH TYR 26 HH TYR 26 14.375 14.241 8.927 150 H VAL 27 H VAL 27 12.212 11.210 6.016 151 HA VAL 27 HA VAL 27 13.122 8.868 4.615 152 HB VAL 27 HB VAL 27 15.315 9.367 5.668 153 HG11 VAL 27 1HG1 VAL 27 15.685 11.498 4.496 154 HG12 VAL 27 2HG1 VAL 27 14.746 10.360 3.528 155 HG13 VAL 27 3HG1 VAL 27 13.941 11.702 4.343 156 HG21 VAL 27 1HG2 VAL 27 15.012 11.916 6.680 157 HG22 VAL 27 2HG2 VAL 27 13.631 11.042 7.344 158 HG23 VAL 27 3HG2 VAL 27 15.268 10.447 7.622 159 H LEU 28 H LEU 28 11.445 9.218 7.404 160 HA LEU 28 HA LEU 28 12.638 6.791 8.571 161 HB2 LEU 28 1HB LEU 28 11.740 9.319 9.846 162 HB3 LEU 28 2HB LEU 28 11.469 7.813 10.720 163 HG LEU 28 HG LEU 28 14.167 8.741 9.745 164 HD11 LEU 28 1HD1 LEU 28 12.717 9.925 11.739 165 HD12 LEU 28 2HD1 LEU 28 14.476 9.925 11.614 166 HD13 LEU 28 3HD1 LEU 28 13.664 8.725 12.619 167 HD21 LEU 28 1HD2 LEU 28 15.000 7.030 11.289 168 HD22 LEU 28 2HD2 LEU 28 13.985 6.332 10.027 169 HD23 LEU 28 3HD2 LEU 28 13.341 6.557 11.654 170 H GLU 29 H GLU 29 9.706 8.647 7.966 171 HA GLU 29 HA GLU 29 7.921 6.695 9.027 172 HB2 GLU 29 1HB GLU 29 7.335 8.874 7.015 173 HB3 GLU 29 2HB GLU 29 6.159 8.014 8.000 174 HG2 GLU 29 1HG GLU 29 7.322 8.952 10.019 175 HG3 GLU 29 2HG GLU 29 8.246 9.970 8.917 176 H ARG 30 H ARG 30 8.794 7.615 5.697 177 HA ARG 30 HA ARG 30 7.306 5.994 4.169 178 HB2 ARG 30 1HB ARG 30 8.921 6.133 2.516 179 HB3 ARG 30 2HB ARG 30 9.366 7.474 3.563 180 HG2 ARG 30 1HG ARG 30 11.103 6.130 4.592 181 HG3 ARG 30 2HG ARG 30 10.631 4.743 3.608 182 HD2 ARG 30 1HD ARG 30 11.301 5.846 1.601 183 HD3 ARG 30 2HD ARG 30 11.535 7.372 2.452 184 HE ARG 30 HE ARG 30 13.212 5.473 3.618 185 HH11 ARG 30 2HH1 ARG 30 12.822 7.129 0.581 186 HH12 ARG 30 1HH1 ARG 30 14.507 7.069 0.183 187 HH21 ARG 30 2HH2 ARG 30 15.433 5.387 3.105 188 HH22 ARG 30 1HH2 ARG 30 15.991 6.077 1.619 189 H LEU 31 H LEU 31 7.002 3.875 3.779 190 HA LEU 31 HA LEU 31 8.650 1.979 5.313 191 HB2 LEU 31 1HB LEU 31 5.770 2.137 4.684 192 HB3 LEU 31 2HB LEU 31 6.486 0.527 4.638 193 HG LEU 31 HG LEU 31 7.014 2.177 7.046 194 HD11 LEU 31 1HD1 LEU 31 4.322 1.345 6.158 195 HD12 LEU 31 2HD1 LEU 31 4.813 2.663 7.221 196 HD13 LEU 31 3HD1 LEU 31 4.742 1.013 7.839 197 HD21 LEU 31 1HD2 LEU 31 7.993 0.082 7.153 198 HD22 LEU 31 2HD2 LEU 31 6.635 -0.709 6.353 199 HD23 LEU 31 3HD2 LEU 31 6.478 -0.162 8.023 200 H CYS 32 H CYS 32 10.247 1.512 3.852 201 HA CYS 32 HA CYS 32 9.801 1.037 1.096 202 HB2 CYS 32 1HB CYS 32 12.006 1.571 2.458 203 HB3 CYS 32 2HB CYS 32 12.133 -0.183 2.509 204 HG CYS 32 HG CYS 32 13.765 0.762 0.452 205 H VAL 33 H VAL 33 8.182 -0.475 0.813 206 HA VAL 33 HA VAL 33 8.945 -3.240 1.461 207 HB VAL 33 HB VAL 33 6.063 -2.410 1.517 208 HG11 VAL 33 1HG1 VAL 33 5.719 -4.430 2.665 209 HG12 VAL 33 2HG1 VAL 33 6.875 -4.824 1.391 210 HG13 VAL 33 3HG1 VAL 33 7.431 -4.601 3.050 211 HG21 VAL 33 1HG2 VAL 33 6.438 -2.450 4.089 212 HG22 VAL 33 2HG2 VAL 33 8.108 -2.065 3.673 213 HG23 VAL 33 3HG2 VAL 33 6.805 -0.983 3.181 214 H ASN 34 H ASN 34 9.234 -4.281 -0.389 215 HA ASN 34 HA ASN 34 8.957 -5.044 -2.513 216 HB2 ASN 34 1HB ASN 34 6.144 -4.065 -2.004 217 HB3 ASN 34 2HB ASN 34 6.616 -4.944 -3.455 218 HD21 ASN 34 1HD2 ASN 34 4.870 -5.484 -0.999 219 HD22 ASN 34 2HD2 ASN 34 5.349 -7.071 -0.511 220 H GLY 35 H GLY 35 9.746 -2.224 -1.948 221 HA2 GLY 35 1HA GLY 35 10.619 -0.689 -3.513 222 HA3 GLY 35 2HA GLY 35 9.457 -1.270 -4.696 223 H HIS 36 H HIS 36 7.226 -1.048 -2.768 224 HA HIS 36 HA HIS 36 6.614 1.725 -3.278 225 HB2 HIS 36 1HB HIS 36 4.971 -0.384 -1.862 226 HB3 HIS 36 2HB HIS 36 4.389 1.180 -2.424 227 HD1 HIS 36 1HD HIS 36 5.794 1.043 -5.251 228 HD2 HIS 36 2HD HIS 36 3.441 -1.929 -3.552 229 HE1 HIS 36 1HE HIS 36 4.933 -0.318 -7.182 230 H PHE 37 H PHE 37 5.934 3.237 -1.672 231 HA PHE 37 HA PHE 37 7.128 2.729 0.974 232 HB2 PHE 37 1HB PHE 37 6.984 5.268 -0.650 233 HB3 PHE 37 2HB PHE 37 7.379 5.259 1.065 234 HD1 PHE 37 2HD PHE 37 9.272 3.425 1.655 235 HD2 PHE 37 1HD PHE 37 8.748 5.365 -2.097 236 HE1 PHE 37 2HE PHE 37 11.632 2.997 1.108 237 HE2 PHE 37 1HE PHE 37 11.108 4.940 -2.650 238 HZ PHE 37 HZ PHE 37 12.553 3.756 -1.046 239 H PHE 38 H PHE 38 5.879 2.970 2.727 240 HA PHE 38 HA PHE 38 3.298 4.345 2.434 241 HB2 PHE 38 1HB PHE 38 3.597 1.805 4.028 242 HB3 PHE 38 2HB PHE 38 2.113 2.608 3.527 243 HD1 PHE 38 1HD PHE 38 5.119 0.920 2.127 244 HD2 PHE 38 2HD PHE 38 1.000 1.874 1.641 245 HE1 PHE 38 1HE PHE 38 5.025 -0.515 0.131 246 HE2 PHE 38 2HE PHE 38 0.899 0.441 -0.355 247 HZ PHE 38 HZ PHE 38 2.913 -0.757 -1.113 248 H HIS 39 H HIS 39 2.315 4.927 4.539 249 HA HIS 39 HA HIS 39 4.309 6.101 6.249 250 HB2 HIS 39 1HB HIS 39 1.301 6.178 6.174 251 HB3 HIS 39 2HB HIS 39 2.198 6.872 7.521 252 HD2 HIS 39 2HD HIS 39 4.554 8.366 5.757 253 HE1 HIS 39 1HE HIS 39 1.282 10.336 3.911 254 HE2 HIS 39 2HE HIS 39 3.777 10.324 4.257 255 H ARG 40 H ARG 40 4.757 5.617 8.370 256 HA ARG 40 HA ARG 40 4.544 2.938 9.180 257 HB2 ARG 40 1HB ARG 40 5.328 5.470 10.593 258 HB3 ARG 40 2HB ARG 40 5.224 3.949 11.469 259 HG2 ARG 40 1HG ARG 40 6.821 4.051 8.961 260 HG3 ARG 40 2HG ARG 40 7.486 4.762 10.433 261 HD2 ARG 40 1HD ARG 40 6.914 2.549 11.560 262 HD3 ARG 40 2HD ARG 40 6.675 1.912 9.934 263 HE ARG 40 HE ARG 40 9.122 2.965 9.741 264 HH11 ARG 40 2HH1 ARG 40 7.688 0.908 12.156 265 HH12 ARG 40 1HH1 ARG 40 9.181 0.135 12.572 266 HH21 ARG 40 2HH2 ARG 40 11.095 1.955 10.280 267 HH22 ARG 40 1HH2 ARG 40 11.119 0.732 11.505 268 H SER 41 H SER 41 2.232 5.360 9.210 269 HA SER 41 HA SER 41 0.772 4.171 11.465 270 HB2 SER 41 1HB SER 41 -0.632 6.188 11.398 271 HB3 SER 41 2HB SER 41 1.073 6.611 11.555 272 HG SER 41 HG SER 41 0.825 6.638 9.060 273 H CYS 42 H CYS 42 0.558 4.896 8.032 274 HA CYS 42 HA CYS 42 -2.136 4.076 7.690 275 HB2 CYS 42 1HB CYS 42 0.175 4.581 5.855 276 HB3 CYS 42 2HB CYS 42 -1.262 3.779 5.228 277 H PHE 43 H PHE 43 0.933 2.443 6.894 278 HA PHE 43 HA PHE 43 -0.039 0.042 5.992 279 HB2 PHE 43 1HB PHE 43 2.397 0.851 6.191 280 HB3 PHE 43 2HB PHE 43 2.355 0.170 7.814 281 HD1 PHE 43 2HD PHE 43 1.087 -0.985 4.498 282 HD2 PHE 43 1HD PHE 43 3.513 -1.803 7.899 283 HE1 PHE 43 2HE PHE 43 1.627 -3.202 3.576 284 HE2 PHE 43 1HE PHE 43 4.057 -4.020 6.982 285 HZ PHE 43 HZ PHE 43 3.113 -4.723 4.819 286 H ARG 44 H ARG 44 -1.831 -0.746 7.028 287 HA ARG 44 HA ARG 44 -1.345 -1.931 9.664 288 HB2 ARG 44 1HB ARG 44 -3.681 -0.190 8.895 289 HB3 ARG 44 2HB ARG 44 -3.758 -1.321 10.240 290 HG2 ARG 44 1HG ARG 44 -2.085 -0.159 11.438 291 HG3 ARG 44 2HG ARG 44 -1.655 0.813 10.028 292 HD2 ARG 44 1HD ARG 44 -3.886 1.852 10.094 293 HD3 ARG 44 2HD ARG 44 -4.265 0.911 11.536 294 HE ARG 44 HE ARG 44 -1.964 2.257 12.156 295 HH11 ARG 44 2HH1 ARG 44 -5.158 3.149 11.098 296 HH12 ARG 44 1HH1 ARG 44 -5.141 4.680 11.910 297 HH21 ARG 44 2HH2 ARG 44 -1.929 4.270 13.229 298 HH22 ARG 44 1HH2 ARG 44 -3.303 5.317 13.120 299 H CYS 45 H CYS 45 -3.278 -3.446 10.213 300 HA CYS 45 HA CYS 45 -3.347 -5.478 8.284 301 HB2 CYS 45 1HB CYS 45 -3.695 -5.745 10.767 302 HB3 CYS 45 2HB CYS 45 -5.323 -5.115 10.541 303 H HIS 46 H HIS 46 -5.385 -6.441 7.383 304 HA HIS 46 HA HIS 46 -7.004 -4.298 6.196 305 HB2 HIS 46 1HB HIS 46 -5.914 -5.575 4.509 306 HB3 HIS 46 2HB HIS 46 -6.356 -7.097 5.277 307 HD1 HIS 46 1HD HIS 46 -7.488 -4.665 2.789 308 HD2 HIS 46 2HD HIS 46 -9.178 -7.726 5.034 309 HE1 HIS 46 1HE HIS 46 -9.686 -5.179 1.680 310 H THR 47 H THR 47 -7.165 -6.521 8.625 311 HA THR 47 HA THR 47 -10.094 -6.758 8.377 312 HB THR 47 HB THR 47 -8.097 -8.706 9.511 313 HG1 THR 47 1HG THR 47 -8.660 -8.950 7.314 314 HG21 THR 47 1HG2 THR 47 -9.927 -8.388 11.148 315 HG22 THR 47 2HG2 THR 47 -9.931 -9.998 10.429 316 HG23 THR 47 3HG2 THR 47 -11.092 -8.788 9.887 317 H CYS 48 H CYS 48 -7.379 -5.961 10.406 318 HA CYS 48 HA CYS 48 -9.256 -4.990 12.457 319 HB2 CYS 48 1HB CYS 48 -7.559 -5.522 14.173 320 HB3 CYS 48 2HB CYS 48 -8.122 -6.960 13.327 321 H GLU 49 H GLU 49 -7.069 -4.139 10.165 322 HA GLU 49 HA GLU 49 -5.696 -2.346 9.788 323 HB2 GLU 49 1HB GLU 49 -6.708 -0.174 10.464 324 HB3 GLU 49 2HB GLU 49 -7.831 -1.247 9.641 325 HG2 GLU 49 1HG GLU 49 -8.819 -1.877 11.768 326 HG3 GLU 49 2HG GLU 49 -7.668 -0.849 12.620 327 H ALA 50 H ALA 50 -4.521 -3.797 11.686 328 HA ALA 50 HA ALA 50 -3.827 -1.971 13.877 329 HB1 ALA 50 1HB ALA 50 -3.392 -4.930 13.525 330 HB2 ALA 50 2HB ALA 50 -2.715 -3.993 14.858 331 HB3 ALA 50 3HB ALA 50 -4.464 -4.122 14.671 332 H THR 51 H THR 51 -1.901 -0.996 13.973 333 HA THR 51 HA THR 51 -0.206 -0.586 11.926 334 HB THR 51 HB THR 51 0.735 -0.882 14.785 335 HG1 THR 51 1HG THR 51 -0.716 0.674 15.009 336 HG21 THR 51 1HG2 THR 51 2.683 -0.607 13.575 337 HG22 THR 51 2HG2 THR 51 2.241 1.069 13.901 338 HG23 THR 51 3HG2 THR 51 1.895 0.356 12.326 339 H LEU 52 H LEU 52 0.440 -2.197 10.597 340 HA LEU 52 HA LEU 52 1.347 -4.736 11.519 341 HB2 LEU 52 1HB LEU 52 1.629 -3.400 8.832 342 HB3 LEU 52 2HB LEU 52 2.017 -5.087 9.165 343 HG LEU 52 HG LEU 52 -0.723 -3.831 9.335 344 HD11 LEU 52 1HD1 LEU 52 0.403 -5.806 7.355 345 HD12 LEU 52 2HD1 LEU 52 0.125 -4.093 7.041 346 HD13 LEU 52 3HD1 LEU 52 -1.238 -5.159 7.380 347 HD21 LEU 52 1HD2 LEU 52 -1.317 -5.578 10.564 348 HD22 LEU 52 2HD2 LEU 52 0.336 -6.194 10.528 349 HD23 LEU 52 3HD2 LEU 52 -0.805 -6.655 9.264 350 H TRP 53 H TRP 53 3.157 -4.872 12.687 351 HA TRP 53 HA TRP 53 5.388 -3.102 12.259 352 HB2 TRP 53 1HB TRP 53 5.602 -5.554 13.955 353 HB3 TRP 53 2HB TRP 53 6.262 -3.943 14.226 354 HD1 TRP 53 HD TRP 53 2.954 -5.894 14.530 355 HE1 TRP 53 1HE TRP 53 1.454 -4.678 16.232 356 HE3 TRP 53 3HE TRP 53 5.836 -1.749 15.337 357 HZ2 TRP 53 2HZ TRP 53 1.487 -2.278 17.719 358 HZ3 TRP 53 3HZ TRP 53 5.029 -0.040 16.913 359 HH2 TRP 53 HH TRP 53 2.900 -0.301 18.078 360 HA PRO 54 HA PRO 54 7.773 -5.507 9.468 361 HB2 PRO 54 1HB PRO 54 10.295 -4.992 10.331 362 HB3 PRO 54 2HB PRO 54 9.307 -3.797 9.484 363 HG2 PRO 54 1HG PRO 54 9.811 -4.100 12.419 364 HG3 PRO 54 2HG PRO 54 9.776 -2.624 11.437 365 HD2 PRO 54 1HD PRO 54 7.690 -3.396 12.980 366 HD3 PRO 54 2HD PRO 54 7.474 -2.517 11.453 367 H GLY 55 H GLY 55 7.251 -6.466 12.537 368 HA2 GLY 55 1HA GLY 55 8.793 -8.940 12.131 369 HA3 GLY 55 2HA GLY 55 8.880 -8.110 13.677 370 H GLY 56 H GLY 56 5.937 -8.252 11.793 371 HA2 GLY 56 1HA GLY 56 4.844 -10.558 13.048 372 HA3 GLY 56 2HA GLY 56 4.320 -9.099 13.877 373 H TYR 57 H TYR 57 4.820 -9.861 10.434 374 HA TYR 57 HA TYR 57 1.994 -9.739 9.891 375 HB2 TYR 57 1HB TYR 57 1.844 -7.726 8.799 376 HB3 TYR 57 2HB TYR 57 3.049 -7.309 10.013 377 HD1 TYR 57 2HD TYR 57 5.512 -7.447 9.334 378 HD2 TYR 57 1HD TYR 57 2.322 -7.492 6.520 379 HE1 TYR 57 2HE TYR 57 7.078 -6.784 7.558 380 HE2 TYR 57 1HE TYR 57 3.879 -6.830 4.735 381 HH TYR 57 HH TYR 57 6.013 -6.479 4.190 382 H GLU 58 H GLU 58 1.564 -9.982 7.512 383 HA GLU 58 HA GLU 58 3.703 -10.913 5.842 384 HB2 GLU 58 1HB GLU 58 1.929 -12.837 7.269 385 HB3 GLU 58 2HB GLU 58 2.360 -13.193 5.602 386 HG2 GLU 58 1HG GLU 58 4.148 -12.956 7.990 387 HG3 GLU 58 2HG GLU 58 3.953 -14.312 6.881 388 H GLN 59 H GLN 59 3.017 -11.377 3.681 389 HA GLN 59 HA GLN 59 0.470 -10.079 3.035 390 HB2 GLN 59 1HB GLN 59 2.500 -9.160 1.989 391 HB3 GLN 59 2HB GLN 59 2.827 -10.724 1.255 392 HG2 GLN 59 1HG GLN 59 0.627 -10.526 0.076 393 HG3 GLN 59 2HG GLN 59 0.534 -8.871 0.675 394 HE21 GLN 59 1HE2 GLN 59 0.431 -9.165 -1.954 395 HE22 GLN 59 2HE2 GLN 59 1.914 -8.695 -2.706 396 H HIS 60 H HIS 60 -1.213 -11.240 2.390 397 HA HIS 60 HA HIS 60 -0.979 -14.077 2.017 398 HB2 HIS 60 1HB HIS 60 -2.930 -12.821 3.108 399 HB3 HIS 60 2HB HIS 60 -3.442 -12.429 1.469 400 HD1 HIS 60 1HD HIS 60 -4.956 -14.077 0.409 401 HD2 HIS 60 2HD HIS 60 -2.749 -15.762 3.500 402 HE1 HIS 60 1HE HIS 60 -5.822 -16.426 0.651 403 HA PRO 61 HA PRO 61 -0.250 -13.858 -2.358 404 HB2 PRO 61 1HB PRO 61 -0.419 -16.527 -2.826 405 HB3 PRO 61 2HB PRO 61 0.995 -15.769 -2.084 406 HG2 PRO 61 1HG PRO 61 -1.278 -17.220 -0.783 407 HG3 PRO 61 2HG PRO 61 0.459 -17.324 -0.440 408 HD2 PRO 61 1HD PRO 61 -1.241 -15.861 1.077 409 HD3 PRO 61 2HD PRO 61 0.453 -15.395 0.822 410 H GLY 62 H GLY 62 -3.082 -14.997 -0.783 411 HA2 GLY 62 1HA GLY 62 -4.597 -15.917 -2.959 412 HA3 GLY 62 2HA GLY 62 -5.256 -15.240 -1.477 413 H ASP 63 H ASP 63 -5.515 -12.923 -1.344 414 HA ASP 63 HA ASP 63 -6.471 -11.833 -3.827 415 HB2 ASP 63 1HB ASP 63 -7.506 -11.540 -1.483 416 HB3 ASP 63 2HB ASP 63 -6.265 -10.315 -1.237 417 H GLY 64 H GLY 64 -3.834 -11.121 -1.571 418 HA2 GLY 64 1HA GLY 64 -1.704 -10.412 -2.524 419 HA3 GLY 64 2HA GLY 64 -2.615 -9.466 -3.691 420 H HIS 65 H HIS 65 -3.288 -9.650 -0.240 421 HA HIS 65 HA HIS 65 -2.512 -6.815 -0.017 422 HB2 HIS 65 1HB HIS 65 -4.868 -8.302 1.115 423 HB3 HIS 65 2HB HIS 65 -4.286 -6.822 1.872 424 HD1 HIS 65 1HD HIS 65 -4.393 -4.631 0.360 425 HD2 HIS 65 2HD HIS 65 -6.435 -7.939 -1.106 426 HE1 HIS 65 1HE HIS 65 -5.941 -3.736 -1.409 427 H PHE 66 H PHE 66 -2.498 -6.323 2.558 428 HA PHE 66 HA PHE 66 -0.606 -8.280 3.683 429 HB2 PHE 66 1HB PHE 66 -0.751 -5.279 3.966 430 HB3 PHE 66 2HB PHE 66 0.231 -6.285 5.026 431 HD1 PHE 66 1HD PHE 66 2.134 -7.562 4.101 432 HD2 PHE 66 2HD PHE 66 -0.062 -4.768 1.758 433 HE1 PHE 66 1HE PHE 66 3.968 -7.500 2.462 434 HE2 PHE 66 2HE PHE 66 1.769 -4.702 0.115 435 HZ PHE 66 HZ PHE 66 3.786 -6.070 0.465 436 H TYR 67 H TYR 67 -1.241 -9.331 5.437 437 HA TYR 67 HA TYR 67 -3.215 -8.062 7.213 438 HB2 TYR 67 1HB TYR 67 -3.178 -11.007 6.543 439 HB3 TYR 67 2HB TYR 67 -4.386 -10.142 7.486 440 HD1 TYR 67 2HD TYR 67 -2.930 -10.372 4.070 441 HD2 TYR 67 1HD TYR 67 -6.279 -9.252 6.443 442 HE1 TYR 67 2HE TYR 67 -4.245 -9.996 2.026 443 HE2 TYR 67 1HE TYR 67 -7.604 -8.874 4.405 444 HH TYR 67 HH TYR 67 -7.489 -9.807 1.936 445 H CYS 68 H CYS 68 -3.214 -8.907 9.416 446 HA CYS 68 HA CYS 68 -0.573 -9.133 10.443 447 HB2 CYS 68 1HB CYS 68 -1.626 -9.270 12.625 448 HB3 CYS 68 2HB CYS 68 -2.431 -8.033 11.664 449 H LEU 69 H LEU 69 -0.048 -10.889 12.103 450 HA LEU 69 HA LEU 69 -0.185 -13.425 10.747 451 HB2 LEU 69 1HB LEU 69 0.997 -12.863 13.455 452 HB3 LEU 69 2HB LEU 69 1.371 -14.203 12.373 453 HG LEU 69 HG LEU 69 2.116 -11.304 12.004 454 HD11 LEU 69 1HD1 LEU 69 3.724 -13.799 12.524 455 HD12 LEU 69 2HD1 LEU 69 3.533 -12.408 13.590 456 HD13 LEU 69 3HD1 LEU 69 4.416 -12.240 12.073 457 HD21 LEU 69 1HD2 LEU 69 2.649 -13.642 10.174 458 HD22 LEU 69 2HD2 LEU 69 3.211 -11.985 9.952 459 HD23 LEU 69 3HD2 LEU 69 1.487 -12.352 9.867 460 H GLN 70 H GLN 70 -2.543 -12.065 12.220 461 HA GLN 70 HA GLN 70 -3.367 -14.478 13.693 462 HB2 GLN 70 1HB GLN 70 -2.975 -12.678 15.281 463 HB3 GLN 70 2HB GLN 70 -4.009 -11.599 14.354 464 HG2 GLN 70 1HG GLN 70 -5.939 -12.982 14.854 465 HG3 GLN 70 2HG GLN 70 -4.915 -14.115 15.735 466 HE21 GLN 70 1HE2 GLN 70 -6.733 -13.452 17.295 467 HE22 GLN 70 2HE2 GLN 70 -6.350 -12.157 18.373 468 H HIS 71 H HIS 71 -3.963 -12.373 11.140 469 HA HIS 71 HA HIS 71 -6.716 -13.392 10.874 470 HB2 HIS 71 1HB HIS 71 -5.587 -10.672 10.309 471 HB3 HIS 71 2HB HIS 71 -6.980 -11.248 9.399 472 HD2 HIS 71 2HD HIS 71 -7.712 -12.671 12.675 473 HE1 HIS 71 1HE HIS 71 -9.070 -8.666 13.013 474 HE2 HIS 71 2HE HIS 71 -9.060 -10.955 14.064 475 H LEU 72 H LEU 72 -3.607 -13.000 9.467 476 HA LEU 72 HA LEU 72 -4.020 -13.123 6.765 477 HB2 LEU 72 1HB LEU 72 -1.828 -13.067 8.018 478 HB3 LEU 72 2HB LEU 72 -1.980 -14.814 8.191 479 HG LEU 72 HG LEU 72 -2.199 -14.683 5.550 480 HD11 LEU 72 1HD1 LEU 72 -0.944 -12.107 6.366 481 HD12 LEU 72 2HD1 LEU 72 -2.058 -12.451 5.044 482 HD13 LEU 72 3HD1 LEU 72 -0.365 -12.926 4.916 483 HD21 LEU 72 1HD2 LEU 72 0.468 -14.432 6.931 484 HD22 LEU 72 2HD2 LEU 72 0.121 -15.250 5.407 485 HD23 LEU 72 3HD2 LEU 72 -0.508 -15.901 6.922 486 HA PRO 73 HA PRO 73 -6.427 -16.897 6.497 487 HB2 PRO 73 1HB PRO 73 -6.991 -16.630 3.855 488 HB3 PRO 73 2HB PRO 73 -7.847 -15.734 5.115 489 HG2 PRO 73 1HG PRO 73 -5.604 -14.839 3.346 490 HG3 PRO 73 2HG PRO 73 -7.075 -13.967 3.815 491 HD2 PRO 73 1HD PRO 73 -4.677 -13.513 4.986 492 HD3 PRO 73 2HD PRO 73 -6.213 -13.358 5.863 493 H GLN 74 H GLN 74 -6.400 -18.755 4.855 494 HA GLN 74 HA GLN 74 -3.861 -19.145 3.505 495 HB2 GLN 74 1HB GLN 74 -4.619 -20.521 6.029 496 HB3 GLN 74 2HB GLN 74 -3.857 -21.496 4.780 497 HG2 GLN 74 1HG GLN 74 -2.732 -19.028 6.080 498 HG3 GLN 74 2HG GLN 74 -2.188 -20.690 6.303 499 HE21 GLN 74 1HE2 GLN 74 -1.879 -17.853 4.489 500 HE22 GLN 74 2HE2 GLN 74 -0.802 -18.452 3.278 501 H THR 75 H THR 75 -4.551 -19.737 1.558 502 HA THR 75 HA THR 75 -6.914 -20.650 0.687 503 HB THR 75 HB THR 75 -5.778 -21.821 -1.162 504 HG1 THR 75 1HG THR 75 -3.354 -21.230 0.210 505 HG21 THR 75 1HG2 THR 75 -5.137 -19.885 -2.138 506 HG22 THR 75 2HG2 THR 75 -4.030 -19.471 -0.829 507 HG23 THR 75 3HG2 THR 75 -5.757 -19.164 -0.653 508 H ASP 76 H ASP 76 -8.212 -22.228 1.330 509 HA ASP 76 HA ASP 76 -7.085 -24.626 2.559 510 HB2 ASP 76 1HB ASP 76 -9.769 -23.312 2.568 511 HB3 ASP 76 2HB ASP 76 -9.676 -25.043 2.884 512 H SER 77 H SER 77 -6.598 -24.487 -0.149 513 HA SER 77 HA SER 77 -8.551 -25.762 -1.746 514 HB2 SER 77 1HB SER 77 -6.697 -26.150 -3.334 515 HB3 SER 77 2HB SER 77 -6.709 -24.491 -2.736 516 HG SER 77 HG SER 77 -4.729 -24.866 -2.168 517 H GLY 78 H GLY 78 -8.702 -27.910 -2.456 518 HA2 GLY 78 1HA GLY 78 -7.255 -30.100 -2.144 519 HA3 GLY 78 2HA GLY 78 -7.765 -29.848 -0.481 520 HA PRO 79 HA PRO 79 -11.791 -30.738 -3.021 521 HB2 PRO 79 1HB PRO 79 -11.440 -31.606 -5.569 522 HB3 PRO 79 2HB PRO 79 -11.620 -29.898 -5.152 523 HG2 PRO 79 1HG PRO 79 -9.127 -31.460 -5.709 524 HG3 PRO 79 2HG PRO 79 -9.574 -29.833 -6.256 525 HD2 PRO 79 1HD PRO 79 -7.889 -30.260 -4.180 526 HD3 PRO 79 2HD PRO 79 -8.977 -28.859 -4.254 527 H SER 80 H SER 80 -9.066 -32.720 -4.192 528 HA SER 80 HA SER 80 -10.058 -35.012 -2.739 529 HB2 SER 80 1HB SER 80 -10.031 -36.453 -4.827 530 HB3 SER 80 2HB SER 80 -11.379 -35.322 -4.705 531 HG SER 80 HG SER 80 -10.618 -34.217 -6.350 532 H SER 81 H SER 81 -8.475 -36.489 -2.283 533 HA SER 81 HA SER 81 -5.834 -35.718 -2.237 534 HB2 SER 81 1HB SER 81 -5.290 -37.978 -1.614 535 HB3 SER 81 2HB SER 81 -6.869 -37.599 -0.925 536 HG SER 81 HG SER 81 -7.600 -38.588 -3.080 537 H GLY 82 H GLY 82 -4.446 -35.337 -3.823 538 HA2 GLY 82 1HA GLY 82 -3.363 -36.963 -5.633 539 HA3 GLY 82 2HA GLY 82 -4.863 -36.537 -6.444 Start of MODEL 8 1 H1 GLY 1 H GLY 1 8.822 13.701 -42.134 2 HA2 GLY 1 1HA GLY 1 9.047 11.736 -40.169 3 HA3 GLY 1 2HA GLY 1 10.174 13.016 -39.745 4 H SER 2 H SER 2 6.802 12.191 -40.205 5 HA SER 2 HA SER 2 6.039 14.219 -38.288 6 HB2 SER 2 1HB SER 2 4.965 14.277 -41.118 7 HB3 SER 2 2HB SER 2 4.319 15.220 -39.775 8 HG SER 2 HG SER 2 5.884 16.592 -40.026 9 H SER 3 H SER 3 4.970 12.958 -36.909 10 HA SER 3 HA SER 3 2.473 11.829 -37.560 11 HB2 SER 3 1HB SER 3 3.786 10.096 -38.667 12 HB3 SER 3 2HB SER 3 4.734 9.847 -37.201 13 HG SER 3 HG SER 3 2.722 9.253 -36.174 14 H GLY 4 H GLY 4 1.323 11.180 -35.735 15 HA2 GLY 4 1HA GLY 4 0.760 11.343 -33.510 16 HA3 GLY 4 2HA GLY 4 2.260 10.462 -33.256 17 H SER 5 H SER 5 0.782 13.640 -33.390 18 HA SER 5 HA SER 5 3.066 14.681 -31.849 19 HB2 SER 5 1HB SER 5 2.680 15.492 -34.342 20 HB3 SER 5 2HB SER 5 1.475 16.528 -33.578 21 HG SER 5 HG SER 5 3.201 17.744 -33.323 22 H SER 6 H SER 6 0.817 13.541 -30.672 23 HA SER 6 HA SER 6 -0.304 15.882 -29.314 24 HB2 SER 6 1HB SER 6 -1.839 13.723 -30.708 25 HB3 SER 6 2HB SER 6 -2.507 14.431 -29.237 26 HG SER 6 HG SER 6 -1.562 16.104 -31.287 27 H GLY 7 H GLY 7 -1.559 15.129 -27.294 28 HA2 GLY 7 1HA GLY 7 -1.681 13.866 -25.354 29 HA3 GLY 7 2HA GLY 7 -0.718 12.624 -26.142 30 H GLN 8 H GLN 8 -0.441 13.580 -23.444 31 HA GLN 8 HA GLN 8 2.389 14.055 -23.457 32 HB2 GLN 8 1HB GLN 8 2.340 16.145 -22.184 33 HB3 GLN 8 2HB GLN 8 1.587 16.347 -23.760 34 HG2 GLN 8 1HG GLN 8 -0.596 16.315 -22.806 35 HG3 GLN 8 2HG GLN 8 0.043 15.852 -21.229 36 HE21 GLN 8 1HE2 GLN 8 -0.856 17.621 -20.202 37 HE22 GLN 8 2HE2 GLN 8 -0.251 19.225 -20.415 38 H HIS 9 H HIS 9 3.364 13.654 -21.451 39 HA HIS 9 HA HIS 9 1.559 12.707 -19.328 40 HB2 HIS 9 1HB HIS 9 4.176 11.354 -19.948 41 HB3 HIS 9 2HB HIS 9 2.838 10.756 -18.971 42 HD1 HIS 9 1HD HIS 9 0.787 9.780 -20.243 43 HD2 HIS 9 2HD HIS 9 3.955 10.903 -22.685 44 HE1 HIS 9 1HE HIS 9 0.309 8.744 -22.484 45 H GLN 10 H GLN 10 1.960 13.545 -17.386 46 HA GLN 10 HA GLN 10 4.545 14.895 -16.971 47 HB2 GLN 10 1HB GLN 10 2.724 16.482 -16.987 48 HB3 GLN 10 2HB GLN 10 1.820 15.518 -15.827 49 HG2 GLN 10 1HG GLN 10 3.225 16.095 -14.065 50 HG3 GLN 10 2HG GLN 10 4.512 16.629 -15.144 51 HE21 GLN 10 1HE2 GLN 10 4.597 18.709 -15.737 52 HE22 GLN 10 2HE2 GLN 10 3.423 19.904 -15.316 53 H GLU 11 H GLU 11 5.649 14.603 -15.052 54 HA GLU 11 HA GLU 11 4.997 12.164 -13.623 55 HB2 GLU 11 1HB GLU 11 7.341 12.921 -14.438 56 HB3 GLU 11 2HB GLU 11 7.338 13.942 -13.007 57 HG2 GLU 11 1HG GLU 11 7.283 12.105 -11.556 58 HG3 GLU 11 2HG GLU 11 6.819 10.995 -12.845 59 H ALA 12 H ALA 12 5.411 12.202 -11.180 60 HA ALA 12 HA ALA 12 3.795 14.374 -10.056 61 HB1 ALA 12 1HB ALA 12 4.209 12.436 -8.085 62 HB2 ALA 12 2HB ALA 12 2.751 12.696 -9.042 63 HB3 ALA 12 3HB ALA 12 3.967 11.541 -9.586 64 H GLY 13 H GLY 13 6.534 14.883 -10.687 65 HA2 GLY 13 1HA GLY 13 8.463 15.723 -9.759 66 HA3 GLY 13 2HA GLY 13 7.403 16.251 -8.460 67 H ALA 14 H ALA 14 7.488 15.246 -6.511 68 HA ALA 14 HA ALA 14 9.723 13.479 -6.056 69 HB1 ALA 14 1HB ALA 14 8.008 13.834 -3.762 70 HB2 ALA 14 2HB ALA 14 9.685 14.328 -4.002 71 HB3 ALA 14 3HB ALA 14 8.371 15.378 -4.535 72 H GLY 15 H GLY 15 9.499 11.387 -6.543 73 HA2 GLY 15 1HA GLY 15 6.922 10.075 -6.382 74 HA3 GLY 15 2HA GLY 15 8.429 9.357 -6.931 75 H ASP 16 H ASP 16 7.873 10.998 -3.856 76 HA ASP 16 HA ASP 16 8.233 8.412 -2.491 77 HB2 ASP 16 1HB ASP 16 10.194 10.176 -2.498 78 HB3 ASP 16 2HB ASP 16 9.226 10.940 -1.240 79 H LEU 17 H LEU 17 5.755 8.818 -2.782 80 HA LEU 17 HA LEU 17 4.808 10.108 -0.310 81 HB2 LEU 17 1HB LEU 17 3.054 9.948 -2.716 82 HB3 LEU 17 2HB LEU 17 2.998 11.073 -1.360 83 HG LEU 17 HG LEU 17 5.132 11.132 -3.488 84 HD11 LEU 17 1HD1 LEU 17 3.856 13.140 -4.307 85 HD12 LEU 17 2HD1 LEU 17 2.507 12.591 -3.314 86 HD13 LEU 17 3HD1 LEU 17 3.103 11.577 -4.627 87 HD21 LEU 17 1HD2 LEU 17 5.485 13.412 -2.621 88 HD22 LEU 17 2HD2 LEU 17 5.789 12.172 -1.405 89 HD23 LEU 17 3HD2 LEU 17 4.289 13.100 -1.363 90 H CYS 18 H CYS 18 3.498 8.918 0.952 91 HA CYS 18 HA CYS 18 3.346 6.230 0.934 92 HB2 CYS 18 1HB CYS 18 2.515 7.461 2.818 93 HB3 CYS 18 2HB CYS 18 1.229 8.178 1.853 94 H ALA 19 H ALA 19 1.628 4.692 0.439 95 HA ALA 19 HA ALA 19 0.495 5.232 -2.200 96 HB1 ALA 19 1HB ALA 19 1.023 3.123 -2.636 97 HB2 ALA 19 2HB ALA 19 1.690 2.976 -1.010 98 HB3 ALA 19 3HB ALA 19 0.003 2.561 -1.311 99 H LEU 20 H LEU 20 -0.483 4.303 1.060 100 HA LEU 20 HA LEU 20 -3.170 3.741 0.579 101 HB2 LEU 20 1HB LEU 20 -1.554 4.549 2.914 102 HB3 LEU 20 2HB LEU 20 -3.291 4.815 3.042 103 HG LEU 20 HG LEU 20 -3.361 2.281 2.260 104 HD11 LEU 20 1HD1 LEU 20 -0.740 2.450 2.217 105 HD12 LEU 20 2HD1 LEU 20 -1.547 0.988 2.784 106 HD13 LEU 20 3HD1 LEU 20 -0.912 2.151 3.947 107 HD21 LEU 20 1HD2 LEU 20 -2.680 2.268 5.054 108 HD22 LEU 20 2HD2 LEU 20 -4.252 2.058 4.281 109 HD23 LEU 20 3HD2 LEU 20 -3.666 3.677 4.663 110 H CYS 21 H CYS 21 -2.105 6.725 2.197 111 HA CYS 21 HA CYS 21 -4.452 8.120 1.287 112 HB2 CYS 21 1HB CYS 21 -3.414 10.062 2.497 113 HB3 CYS 21 2HB CYS 21 -3.662 8.631 3.493 114 H GLY 22 H GLY 22 -0.944 8.523 0.787 115 HA2 GLY 22 1HA GLY 22 -0.064 8.938 -1.418 116 HA3 GLY 22 2HA GLY 22 -1.567 9.759 -1.814 117 H GLU 23 H GLU 23 0.317 10.208 1.131 118 HA GLU 23 HA GLU 23 0.723 13.011 0.335 119 HB2 GLU 23 1HB GLU 23 0.601 11.754 3.081 120 HB3 GLU 23 2HB GLU 23 0.979 13.444 2.779 121 HG2 GLU 23 1HG GLU 23 -1.240 13.669 1.671 122 HG3 GLU 23 2HG GLU 23 -1.607 12.026 2.194 123 H HIS 24 H HIS 24 2.693 13.990 1.577 124 HA HIS 24 HA HIS 24 5.018 12.886 0.504 125 HB2 HIS 24 1HB HIS 24 4.471 15.280 1.499 126 HB3 HIS 24 2HB HIS 24 5.206 14.595 2.945 127 HD1 HIS 24 1HD HIS 24 7.737 13.822 2.705 128 HD2 HIS 24 2HD HIS 24 6.235 16.059 -0.457 129 HE1 HIS 24 1HE HIS 24 9.751 14.598 1.415 130 H LEU 25 H LEU 25 6.843 11.910 1.513 131 HA LEU 25 HA LEU 25 6.162 10.376 3.936 132 HB2 LEU 25 1HB LEU 25 7.702 9.603 1.480 133 HB3 LEU 25 2HB LEU 25 7.889 8.729 2.999 134 HG LEU 25 HG LEU 25 5.164 9.069 1.820 135 HD11 LEU 25 1HD1 LEU 25 5.723 6.709 0.814 136 HD12 LEU 25 2HD1 LEU 25 7.364 7.353 0.783 137 HD13 LEU 25 3HD1 LEU 25 6.074 8.185 -0.085 138 HD21 LEU 25 1HD2 LEU 25 5.739 6.503 2.906 139 HD22 LEU 25 2HD2 LEU 25 4.626 7.733 3.506 140 HD23 LEU 25 3HD2 LEU 25 6.309 7.732 4.036 141 H TYR 26 H TYR 26 8.307 9.461 4.941 142 HA TYR 26 HA TYR 26 10.366 11.557 4.944 143 HB2 TYR 26 1HB TYR 26 8.668 11.702 6.887 144 HB3 TYR 26 2HB TYR 26 9.461 10.255 7.502 145 HD1 TYR 26 1HD TYR 26 10.354 13.658 6.231 146 HD2 TYR 26 2HD TYR 26 11.197 10.535 8.996 147 HE1 TYR 26 1HE TYR 26 12.083 15.060 7.278 148 HE2 TYR 26 2HE TYR 26 12.927 11.929 10.051 149 HH TYR 26 HH TYR 26 13.205 14.813 10.075 150 H VAL 27 H VAL 27 12.235 10.699 6.507 151 HA VAL 27 HA VAL 27 13.221 8.325 5.235 152 HB VAL 27 HB VAL 27 14.431 9.876 7.528 153 HG11 VAL 27 1HG1 VAL 27 15.183 7.453 6.919 154 HG12 VAL 27 2HG1 VAL 27 15.975 8.249 5.557 155 HG13 VAL 27 3HG1 VAL 27 16.390 8.705 7.210 156 HG21 VAL 27 1HG2 VAL 27 15.152 10.117 4.620 157 HG22 VAL 27 2HG2 VAL 27 13.954 11.161 5.386 158 HG23 VAL 27 3HG2 VAL 27 15.623 11.166 5.957 159 H LEU 28 H LEU 28 12.570 9.181 8.637 160 HA LEU 28 HA LEU 28 12.697 6.378 9.393 161 HB2 LEU 28 1HB LEU 28 12.247 8.885 11.001 162 HB3 LEU 28 2HB LEU 28 12.308 7.264 11.689 163 HG LEU 28 HG LEU 28 14.605 8.498 10.182 164 HD11 LEU 28 1HD1 LEU 28 14.690 8.291 13.127 165 HD12 LEU 28 2HD1 LEU 28 13.698 9.582 12.452 166 HD13 LEU 28 3HD1 LEU 28 15.412 9.484 12.048 167 HD21 LEU 28 1HD2 LEU 28 14.853 6.164 10.257 168 HD22 LEU 28 2HD2 LEU 28 14.251 6.067 11.912 169 HD23 LEU 28 3HD2 LEU 28 15.837 6.769 11.589 170 H GLU 29 H GLU 29 10.530 7.423 7.660 171 HA GLU 29 HA GLU 29 8.281 6.475 9.296 172 HB2 GLU 29 1HB GLU 29 8.134 8.781 7.346 173 HB3 GLU 29 2HB GLU 29 6.799 8.128 8.285 174 HG2 GLU 29 1HG GLU 29 8.022 8.774 10.352 175 HG3 GLU 29 2HG GLU 29 9.223 9.566 9.334 176 H ARG 30 H ARG 30 9.300 7.268 5.976 177 HA ARG 30 HA ARG 30 7.456 5.889 4.515 178 HB2 ARG 30 1HB ARG 30 9.023 5.807 2.739 179 HB3 ARG 30 2HB ARG 30 9.412 7.253 3.661 180 HG2 ARG 30 1HG ARG 30 11.115 5.732 4.874 181 HG3 ARG 30 2HG ARG 30 10.905 4.673 3.479 182 HD2 ARG 30 1HD ARG 30 11.751 6.265 1.995 183 HD3 ARG 30 2HD ARG 30 11.509 7.588 3.134 184 HE ARG 30 HE ARG 30 13.320 6.088 4.413 185 HH11 ARG 30 2HH1 ARG 30 13.166 7.232 1.128 186 HH12 ARG 30 1HH1 ARG 30 14.886 7.315 0.938 187 HH21 ARG 30 2HH2 ARG 30 15.587 6.193 4.175 188 HH22 ARG 30 1HH2 ARG 30 16.262 6.723 2.672 189 H LEU 31 H LEU 31 7.162 3.795 3.793 190 HA LEU 31 HA LEU 31 8.651 1.732 5.278 191 HB2 LEU 31 1HB LEU 31 5.789 2.063 4.612 192 HB3 LEU 31 2HB LEU 31 6.435 0.425 4.526 193 HG LEU 31 HG LEU 31 6.973 1.981 6.997 194 HD11 LEU 31 1HD1 LEU 31 4.721 2.554 6.883 195 HD12 LEU 31 2HD1 LEU 31 4.722 1.077 7.845 196 HD13 LEU 31 3HD1 LEU 31 4.266 1.019 6.142 197 HD21 LEU 31 1HD2 LEU 31 7.692 -0.429 6.391 198 HD22 LEU 31 2HD2 LEU 31 6.019 -0.847 6.762 199 HD23 LEU 31 3HD2 LEU 31 7.039 -0.109 7.998 200 H CYS 32 H CYS 32 10.225 1.194 3.838 201 HA CYS 32 HA CYS 32 9.807 0.938 1.043 202 HB2 CYS 32 1HB CYS 32 12.042 -0.202 1.078 203 HB3 CYS 32 2HB CYS 32 12.026 1.382 1.843 204 HG CYS 32 HG CYS 32 11.405 -0.921 4.106 205 H VAL 33 H VAL 33 8.039 -0.424 0.724 206 HA VAL 33 HA VAL 33 8.628 -3.276 1.128 207 HB VAL 33 HB VAL 33 5.814 -2.262 1.360 208 HG11 VAL 33 1HG1 VAL 33 6.235 -4.453 3.012 209 HG12 VAL 33 2HG1 VAL 33 5.463 -4.460 1.426 210 HG13 VAL 33 3HG1 VAL 33 7.188 -4.799 1.570 211 HG21 VAL 33 1HG2 VAL 33 7.971 -2.133 3.400 212 HG22 VAL 33 2HG2 VAL 33 6.595 -1.061 3.138 213 HG23 VAL 33 3HG2 VAL 33 6.359 -2.621 3.925 214 H ASN 34 H ASN 34 8.361 -4.492 -0.640 215 HA ASN 34 HA ASN 34 8.069 -4.987 -2.850 216 HB2 ASN 34 1HB ASN 34 5.412 -3.815 -2.049 217 HB3 ASN 34 2HB ASN 34 5.683 -4.467 -3.662 218 HD21 ASN 34 1HD2 ASN 34 3.793 -5.458 -1.852 219 HD22 ASN 34 2HD2 ASN 34 4.247 -7.068 -1.419 220 H GLY 35 H GLY 35 9.545 -2.682 -2.550 221 HA2 GLY 35 1HA GLY 35 10.325 -0.906 -3.778 222 HA3 GLY 35 2HA GLY 35 9.328 -1.505 -5.096 223 H HIS 36 H HIS 36 7.779 -0.731 -2.113 224 HA HIS 36 HA HIS 36 6.887 1.847 -3.217 225 HB2 HIS 36 1HB HIS 36 5.148 -0.234 -1.876 226 HB3 HIS 36 2HB HIS 36 4.616 1.374 -2.357 227 HD1 HIS 36 1HD HIS 36 5.568 1.641 -5.165 228 HD2 HIS 36 2HD HIS 36 4.068 -1.934 -3.671 229 HE1 HIS 36 1HE HIS 36 4.808 0.338 -7.177 230 H PHE 37 H PHE 37 6.020 3.337 -1.599 231 HA PHE 37 HA PHE 37 7.235 2.893 1.049 232 HB2 PHE 37 1HB PHE 37 6.946 5.453 -0.532 233 HB3 PHE 37 2HB PHE 37 7.439 5.399 1.157 234 HD1 PHE 37 2HD PHE 37 9.479 3.831 1.667 235 HD2 PHE 37 1HD PHE 37 8.563 5.445 -2.163 236 HE1 PHE 37 2HE PHE 37 11.818 3.506 0.975 237 HE2 PHE 37 1HE PHE 37 10.900 5.122 -2.862 238 HZ PHE 37 HZ PHE 37 12.531 4.153 -1.292 239 H PHE 38 H PHE 38 5.935 2.997 2.766 240 HA PHE 38 HA PHE 38 3.318 4.307 2.477 241 HB2 PHE 38 1HB PHE 38 3.747 1.703 3.948 242 HB3 PHE 38 2HB PHE 38 2.214 2.504 3.622 243 HD1 PHE 38 1HD PHE 38 4.994 0.620 2.121 244 HD2 PHE 38 2HD PHE 38 1.106 2.249 1.536 245 HE1 PHE 38 1HE PHE 38 4.769 -0.673 0.039 246 HE2 PHE 38 2HE PHE 38 0.874 0.958 -0.545 247 HZ PHE 38 HZ PHE 38 2.707 -0.506 -1.296 248 H HIS 39 H HIS 39 2.304 4.858 4.557 249 HA HIS 39 HA HIS 39 4.265 5.989 6.347 250 HB2 HIS 39 1HB HIS 39 1.248 6.116 6.270 251 HB3 HIS 39 2HB HIS 39 2.216 6.909 7.510 252 HD2 HIS 39 2HD HIS 39 4.427 8.444 5.813 253 HE1 HIS 39 1HE HIS 39 1.221 9.893 3.442 254 HE2 HIS 39 2HE HIS 39 3.655 10.156 4.034 255 H ARG 40 H ARG 40 4.853 5.249 8.295 256 HA ARG 40 HA ARG 40 4.455 2.653 9.112 257 HB2 ARG 40 1HB ARG 40 5.251 5.141 10.584 258 HB3 ARG 40 2HB ARG 40 5.034 3.633 11.462 259 HG2 ARG 40 1HG ARG 40 6.809 3.780 9.056 260 HG3 ARG 40 2HG ARG 40 7.385 4.250 10.656 261 HD2 ARG 40 1HD ARG 40 6.237 1.568 9.889 262 HD3 ARG 40 2HD ARG 40 7.939 1.927 10.176 263 HE ARG 40 HE ARG 40 5.966 1.369 12.140 264 HH11 ARG 40 2HH1 ARG 40 8.810 3.284 11.537 265 HH12 ARG 40 1HH1 ARG 40 9.253 3.390 13.208 266 HH21 ARG 40 2HH2 ARG 40 6.538 1.501 14.344 267 HH22 ARG 40 1HH2 ARG 40 7.960 2.374 14.804 268 H SER 41 H SER 41 2.271 5.260 9.304 269 HA SER 41 HA SER 41 0.692 4.034 11.432 270 HB2 SER 41 1HB SER 41 1.044 6.507 11.390 271 HB3 SER 41 2HB SER 41 0.137 6.573 9.880 272 HG SER 41 HG SER 41 -0.932 5.431 12.236 273 H CYS 42 H CYS 42 0.381 4.944 8.016 274 HA CYS 42 HA CYS 42 -2.234 4.032 7.620 275 HB2 CYS 42 1HB CYS 42 0.104 4.564 5.843 276 HB3 CYS 42 2HB CYS 42 -1.264 3.681 5.174 277 H PHE 43 H PHE 43 0.836 2.374 6.880 278 HA PHE 43 HA PHE 43 -0.148 -0.031 5.993 279 HB2 PHE 43 1HB PHE 43 2.293 0.774 6.200 280 HB3 PHE 43 2HB PHE 43 2.240 0.091 7.821 281 HD1 PHE 43 2HD PHE 43 0.916 -1.084 4.538 282 HD2 PHE 43 1HD PHE 43 3.451 -1.857 7.869 283 HE1 PHE 43 2HE PHE 43 1.447 -3.302 3.615 284 HE2 PHE 43 1HE PHE 43 3.986 -4.076 6.951 285 HZ PHE 43 HZ PHE 43 2.983 -4.802 4.822 286 H ARG 44 H ARG 44 -1.972 -0.745 7.053 287 HA ARG 44 HA ARG 44 -1.490 -1.926 9.694 288 HB2 ARG 44 1HB ARG 44 -3.960 -0.357 8.932 289 HB3 ARG 44 2HB ARG 44 -3.736 -1.240 10.436 290 HG2 ARG 44 1HG ARG 44 -1.958 0.238 11.099 291 HG3 ARG 44 2HG ARG 44 -2.021 1.065 9.541 292 HD2 ARG 44 1HD ARG 44 -4.174 1.957 10.008 293 HD3 ARG 44 2HD ARG 44 -4.362 0.926 11.427 294 HE ARG 44 HE ARG 44 -2.118 2.723 11.571 295 HH11 ARG 44 2HH1 ARG 44 -5.523 2.322 12.173 296 HH12 ARG 44 1HH1 ARG 44 -5.588 3.561 13.382 297 HH21 ARG 44 2HH2 ARG 44 -2.190 4.356 13.161 298 HH22 ARG 44 1HH2 ARG 44 -3.691 4.718 13.943 299 H CYS 45 H CYS 45 -3.321 -3.486 10.264 300 HA CYS 45 HA CYS 45 -3.450 -5.501 8.338 301 HB2 CYS 45 1HB CYS 45 -3.760 -5.756 10.831 302 HB3 CYS 45 2HB CYS 45 -5.397 -5.144 10.619 303 H HIS 46 H HIS 46 -5.506 -6.472 7.480 304 HA HIS 46 HA HIS 46 -7.140 -4.335 6.303 305 HB2 HIS 46 1HB HIS 46 -6.064 -5.653 4.623 306 HB3 HIS 46 2HB HIS 46 -6.549 -7.156 5.402 307 HD1 HIS 46 1HD HIS 46 -7.642 -4.667 2.937 308 HD2 HIS 46 2HD HIS 46 -9.365 -7.741 5.139 309 HE1 HIS 46 1HE HIS 46 -9.852 -5.131 1.829 310 H THR 47 H THR 47 -7.263 -6.567 8.741 311 HA THR 47 HA THR 47 -10.201 -6.762 8.563 312 HB THR 47 HB THR 47 -8.207 -8.749 9.638 313 HG1 THR 47 1HG THR 47 -10.335 -8.868 7.745 314 HG21 THR 47 1HG2 THR 47 -11.197 -8.796 10.063 315 HG22 THR 47 2HG2 THR 47 -10.006 -8.420 11.308 316 HG23 THR 47 3HG2 THR 47 -10.041 -10.024 10.576 317 H CYS 48 H CYS 48 -7.423 -6.026 10.531 318 HA CYS 48 HA CYS 48 -9.235 -5.076 12.652 319 HB2 CYS 48 1HB CYS 48 -7.515 -5.625 14.307 320 HB3 CYS 48 2HB CYS 48 -8.002 -7.060 13.412 321 H GLU 49 H GLU 49 -7.179 -4.159 10.275 322 HA GLU 49 HA GLU 49 -5.835 -2.348 9.866 323 HB2 GLU 49 1HB GLU 49 -6.861 -0.198 10.576 324 HB3 GLU 49 2HB GLU 49 -8.001 -1.292 9.805 325 HG2 GLU 49 1HG GLU 49 -8.842 -1.954 12.010 326 HG3 GLU 49 2HG GLU 49 -7.720 -0.823 12.765 327 H ALA 50 H ALA 50 -4.709 -3.853 11.854 328 HA ALA 50 HA ALA 50 -3.931 -2.006 13.984 329 HB1 ALA 50 1HB ALA 50 -3.011 -4.851 13.724 330 HB2 ALA 50 2HB ALA 50 -3.127 -3.854 15.174 331 HB3 ALA 50 3HB ALA 50 -4.592 -4.443 14.390 332 H THR 51 H THR 51 -2.002 -1.028 14.070 333 HA THR 51 HA THR 51 -0.368 -0.573 11.970 334 HB THR 51 HB THR 51 0.645 -0.849 14.805 335 HG1 THR 51 1HG THR 51 -0.972 1.041 13.544 336 HG21 THR 51 1HG2 THR 51 2.282 -0.564 12.835 337 HG22 THR 51 2HG2 THR 51 2.425 0.543 14.201 338 HG23 THR 51 3HG2 THR 51 1.630 1.070 12.717 339 H LEU 52 H LEU 52 0.325 -2.142 10.627 340 HA LEU 52 HA LEU 52 1.272 -4.679 11.523 341 HB2 LEU 52 1HB LEU 52 1.517 -3.317 8.845 342 HB3 LEU 52 2HB LEU 52 1.931 -5.000 9.163 343 HG LEU 52 HG LEU 52 -0.827 -3.794 9.376 344 HD11 LEU 52 1HD1 LEU 52 0.189 -5.783 7.362 345 HD12 LEU 52 2HD1 LEU 52 0.140 -4.046 7.064 346 HD13 LEU 52 3HD1 LEU 52 -1.355 -4.931 7.369 347 HD21 LEU 52 1HD2 LEU 52 -0.771 -6.644 9.233 348 HD22 LEU 52 2HD2 LEU 52 -1.432 -5.608 10.499 349 HD23 LEU 52 3HD2 LEU 52 0.257 -6.112 10.564 350 H TRP 53 H TRP 53 3.046 -4.629 12.794 351 HA TRP 53 HA TRP 53 5.239 -2.863 12.388 352 HB2 TRP 53 1HB TRP 53 5.476 -5.426 13.931 353 HB3 TRP 53 2HB TRP 53 6.209 -3.858 14.261 354 HD1 TRP 53 HD TRP 53 2.883 -5.741 14.641 355 HE1 TRP 53 1HE TRP 53 1.462 -4.533 16.415 356 HE3 TRP 53 3HE TRP 53 5.836 -1.635 15.389 357 HZ2 TRP 53 2HZ TRP 53 1.578 -2.155 17.931 358 HZ3 TRP 53 3HZ TRP 53 5.109 0.059 17.018 359 HH2 TRP 53 HH TRP 53 3.024 -0.197 18.262 360 HA PRO 54 HA PRO 54 7.684 -4.992 9.430 361 HB2 PRO 54 1HB PRO 54 10.193 -4.438 10.306 362 HB3 PRO 54 2HB PRO 54 9.153 -3.229 9.544 363 HG2 PRO 54 1HG PRO 54 9.696 -3.700 12.450 364 HG3 PRO 54 2HG PRO 54 9.597 -2.167 11.564 365 HD2 PRO 54 1HD PRO 54 7.556 -3.114 13.071 366 HD3 PRO 54 2HD PRO 54 7.292 -2.148 11.605 367 H GLY 55 H GLY 55 7.219 -6.170 12.425 368 HA2 GLY 55 1HA GLY 55 8.782 -8.582 11.828 369 HA3 GLY 55 2HA GLY 55 8.986 -7.823 13.400 370 H GLY 56 H GLY 56 5.941 -8.018 11.646 371 HA2 GLY 56 1HA GLY 56 4.969 -10.330 12.991 372 HA3 GLY 56 2HA GLY 56 4.425 -8.868 13.801 373 H TYR 57 H TYR 57 4.843 -9.675 10.359 374 HA TYR 57 HA TYR 57 1.999 -9.682 9.906 375 HB2 TYR 57 1HB TYR 57 1.772 -7.724 8.664 376 HB3 TYR 57 2HB TYR 57 2.813 -7.216 9.989 377 HD1 TYR 57 2HD TYR 57 5.382 -7.338 9.520 378 HD2 TYR 57 1HD TYR 57 2.405 -7.264 6.481 379 HE1 TYR 57 2HE TYR 57 7.059 -6.547 7.904 380 HE2 TYR 57 1HE TYR 57 4.074 -6.474 4.856 381 HH TYR 57 HH TYR 57 6.303 -5.200 4.980 382 H GLU 58 H GLU 58 1.486 -10.034 7.578 383 HA GLU 58 HA GLU 58 3.643 -10.928 5.877 384 HB2 GLU 58 1HB GLU 58 1.649 -12.871 7.042 385 HB3 GLU 58 2HB GLU 58 2.605 -13.217 5.608 386 HG2 GLU 58 1HG GLU 58 4.653 -12.990 6.895 387 HG3 GLU 58 2HG GLU 58 3.717 -12.589 8.334 388 H GLN 59 H GLN 59 3.047 -11.122 3.720 389 HA GLN 59 HA GLN 59 0.416 -9.997 3.090 390 HB2 GLN 59 1HB GLN 59 2.171 -8.732 2.112 391 HB3 GLN 59 2HB GLN 59 2.992 -10.177 1.538 392 HG2 GLN 59 1HG GLN 59 1.097 -10.585 -0.001 393 HG3 GLN 59 2HG GLN 59 0.395 -9.054 0.518 394 HE21 GLN 59 1HE2 GLN 59 0.545 -8.606 -1.808 395 HE22 GLN 59 2HE2 GLN 59 2.020 -7.955 -2.427 396 H HIS 60 H HIS 60 -1.123 -11.416 2.631 397 HA HIS 60 HA HIS 60 -0.614 -14.112 1.902 398 HB2 HIS 60 1HB HIS 60 -2.683 -13.087 3.084 399 HB3 HIS 60 2HB HIS 60 -3.251 -12.741 1.453 400 HD1 HIS 60 1HD HIS 60 -4.183 -14.672 0.103 401 HD2 HIS 60 2HD HIS 60 -2.501 -15.866 3.710 402 HE1 HIS 60 1HE HIS 60 -4.838 -17.084 0.385 403 HA PRO 61 HA PRO 61 0.039 -13.435 -2.440 404 HB2 PRO 61 1HB PRO 61 0.168 -16.056 -3.133 405 HB3 PRO 61 2HB PRO 61 1.496 -15.208 -2.333 406 HG2 PRO 61 1HG PRO 61 -0.581 -17.013 -1.155 407 HG3 PRO 61 2HG PRO 61 1.161 -16.947 -0.827 408 HD2 PRO 61 1HD PRO 61 -0.674 -15.821 0.815 409 HD3 PRO 61 2HD PRO 61 0.953 -15.145 0.595 410 H GLY 62 H GLY 62 -2.312 -15.864 -1.314 411 HA2 GLY 62 1HA GLY 62 -3.805 -16.451 -3.447 412 HA3 GLY 62 2HA GLY 62 -4.555 -16.046 -1.910 413 H ASP 63 H ASP 63 -4.500 -13.494 -1.575 414 HA ASP 63 HA ASP 63 -5.932 -12.426 -3.888 415 HB2 ASP 63 1HB ASP 63 -5.705 -11.100 -1.194 416 HB3 ASP 63 2HB ASP 63 -6.956 -10.891 -2.416 417 H GLY 64 H GLY 64 -3.473 -11.313 -1.550 418 HA2 GLY 64 1HA GLY 64 -1.389 -10.411 -2.546 419 HA3 GLY 64 2HA GLY 64 -2.422 -9.559 -3.685 420 H HIS 65 H HIS 65 -3.156 -9.878 -0.273 421 HA HIS 65 HA HIS 65 -2.667 -6.987 0.031 422 HB2 HIS 65 1HB HIS 65 -4.906 -8.735 0.960 423 HB3 HIS 65 2HB HIS 65 -4.453 -7.349 1.947 424 HD1 HIS 65 1HD HIS 65 -4.194 -5.057 0.241 425 HD2 HIS 65 2HD HIS 65 -6.893 -8.064 -0.725 426 HE1 HIS 65 1HE HIS 65 -5.862 -3.991 -1.310 427 H PHE 66 H PHE 66 -2.635 -6.479 2.550 428 HA PHE 66 HA PHE 66 -0.667 -8.327 3.730 429 HB2 PHE 66 1HB PHE 66 -0.917 -5.326 3.975 430 HB3 PHE 66 2HB PHE 66 0.158 -6.297 4.976 431 HD1 PHE 66 2HD PHE 66 -0.563 -5.277 1.497 432 HD2 PHE 66 1HD PHE 66 2.257 -6.991 4.185 433 HE1 PHE 66 2HE PHE 66 1.175 -5.131 -0.238 434 HE2 PHE 66 1HE PHE 66 4.000 -6.847 2.454 435 HZ PHE 66 HZ PHE 66 3.459 -5.918 0.238 436 H TYR 67 H TYR 67 -1.301 -9.360 5.494 437 HA TYR 67 HA TYR 67 -3.282 -8.076 7.253 438 HB2 TYR 67 1HB TYR 67 -3.220 -11.035 6.650 439 HB3 TYR 67 2HB TYR 67 -4.438 -10.154 7.565 440 HD1 TYR 67 2HD TYR 67 -3.012 -10.596 4.170 441 HD2 TYR 67 1HD TYR 67 -6.289 -9.175 6.483 442 HE1 TYR 67 2HE TYR 67 -4.322 -10.285 2.112 443 HE2 TYR 67 1HE TYR 67 -7.609 -8.861 4.431 444 HH TYR 67 HH TYR 67 -6.913 -8.442 1.841 445 H CYS 68 H CYS 68 -3.288 -8.951 9.467 446 HA CYS 68 HA CYS 68 -0.631 -9.111 10.490 447 HB2 CYS 68 1HB CYS 68 -1.678 -9.225 12.679 448 HB3 CYS 68 2HB CYS 68 -2.483 -8.001 11.702 449 H LEU 69 H LEU 69 -0.068 -10.834 12.158 450 HA LEU 69 HA LEU 69 -0.179 -13.389 10.851 451 HB2 LEU 69 1HB LEU 69 0.940 -12.838 13.583 452 HB3 LEU 69 2HB LEU 69 1.387 -14.121 12.461 453 HG LEU 69 HG LEU 69 2.043 -11.187 12.240 454 HD11 LEU 69 1HD1 LEU 69 4.373 -12.091 12.257 455 HD12 LEU 69 2HD1 LEU 69 3.697 -13.667 12.667 456 HD13 LEU 69 3HD1 LEU 69 3.490 -12.306 13.769 457 HD21 LEU 69 1HD2 LEU 69 2.818 -13.350 10.297 458 HD22 LEU 69 2HD2 LEU 69 3.050 -11.608 10.141 459 HD23 LEU 69 3HD2 LEU 69 1.427 -12.294 10.054 460 H GLN 70 H GLN 70 -2.574 -12.035 12.271 461 HA GLN 70 HA GLN 70 -3.390 -14.431 13.776 462 HB2 GLN 70 1HB GLN 70 -3.081 -12.609 15.338 463 HB3 GLN 70 2HB GLN 70 -4.070 -11.544 14.348 464 HG2 GLN 70 1HG GLN 70 -5.429 -12.212 16.141 465 HG3 GLN 70 2HG GLN 70 -5.978 -13.139 14.746 466 HE21 GLN 70 1HE2 GLN 70 -3.664 -13.371 17.425 467 HE22 GLN 70 2HE2 GLN 70 -3.947 -15.043 17.751 468 H HIS 71 H HIS 71 -4.054 -12.224 11.260 469 HA HIS 71 HA HIS 71 -6.737 -13.393 10.907 470 HB2 HIS 71 1HB HIS 71 -5.701 -10.630 10.350 471 HB3 HIS 71 2HB HIS 71 -7.088 -11.257 9.465 472 HD2 HIS 71 2HD HIS 71 -7.878 -12.735 12.643 473 HE1 HIS 71 1HE HIS 71 -9.087 -8.706 13.190 474 HE2 HIS 71 2HE HIS 71 -9.175 -11.048 14.112 475 H LEU 72 H LEU 72 -3.615 -12.958 9.594 476 HA LEU 72 HA LEU 72 -3.985 -13.048 6.867 477 HB2 LEU 72 1HB LEU 72 -1.810 -12.857 8.045 478 HB3 LEU 72 2HB LEU 72 -1.896 -14.579 8.411 479 HG LEU 72 HG LEU 72 -2.104 -14.724 5.758 480 HD11 LEU 72 1HD1 LEU 72 -1.136 -12.014 6.317 481 HD12 LEU 72 2HD1 LEU 72 -1.870 -12.683 4.861 482 HD13 LEU 72 3HD1 LEU 72 -0.153 -12.931 5.176 483 HD21 LEU 72 1HD2 LEU 72 -0.272 -15.901 6.177 484 HD22 LEU 72 2HD2 LEU 72 -0.046 -15.050 7.705 485 HD23 LEU 72 3HD2 LEU 72 0.664 -14.407 6.224 486 HA PRO 73 HA PRO 73 -6.210 -16.915 6.508 487 HB2 PRO 73 1HB PRO 73 -6.641 -16.703 3.835 488 HB3 PRO 73 2HB PRO 73 -7.592 -15.819 5.035 489 HG2 PRO 73 1HG PRO 73 -5.289 -14.873 3.374 490 HG3 PRO 73 2HG PRO 73 -6.811 -14.045 3.751 491 HD2 PRO 73 1HD PRO 73 -4.495 -13.494 5.041 492 HD3 PRO 73 2HD PRO 73 -6.080 -13.380 5.833 493 H GLN 74 H GLN 74 -6.074 -18.639 4.560 494 HA GLN 74 HA GLN 74 -3.330 -19.018 3.672 495 HB2 GLN 74 1HB GLN 74 -4.655 -20.638 5.780 496 HB3 GLN 74 2HB GLN 74 -3.709 -21.509 4.580 497 HG2 GLN 74 1HG GLN 74 -2.555 -19.155 6.016 498 HG3 GLN 74 2HG GLN 74 -2.579 -20.751 6.765 499 HE21 GLN 74 1HE2 GLN 74 -0.656 -18.725 5.179 500 HE22 GLN 74 2HE2 GLN 74 0.372 -19.836 4.346 501 H THR 75 H THR 75 -3.313 -21.402 2.594 502 HA THR 75 HA THR 75 -5.382 -21.243 0.552 503 HB THR 75 HB THR 75 -4.029 -22.813 -0.722 504 HG1 THR 75 1HG THR 75 -1.826 -22.958 0.775 505 HG21 THR 75 1HG2 THR 75 -1.956 -20.975 0.364 506 HG22 THR 75 2HG2 THR 75 -3.408 -20.264 -0.341 507 HG23 THR 75 3HG2 THR 75 -2.388 -21.328 -1.308 508 H ASP 76 H ASP 76 -6.521 -22.046 2.868 509 HA ASP 76 HA ASP 76 -6.554 -24.763 3.459 510 HB2 ASP 76 1HB ASP 76 -7.694 -23.506 5.024 511 HB3 ASP 76 2HB ASP 76 -8.506 -22.529 3.803 512 H SER 77 H SER 77 -8.418 -22.946 1.064 513 HA SER 77 HA SER 77 -9.358 -25.510 -0.044 514 HB2 SER 77 1HB SER 77 -10.645 -22.778 -0.054 515 HB3 SER 77 2HB SER 77 -11.189 -24.092 -1.096 516 HG SER 77 HG SER 77 -12.127 -23.722 1.179 517 H GLY 78 H GLY 78 -9.366 -25.775 -2.311 518 HA2 GLY 78 1HA GLY 78 -8.455 -25.612 -4.412 519 HA3 GLY 78 2HA GLY 78 -8.550 -23.871 -4.188 520 HA PRO 79 HA PRO 79 -4.161 -25.449 -2.781 521 HB2 PRO 79 1HB PRO 79 -3.388 -27.755 -3.987 522 HB3 PRO 79 2HB PRO 79 -4.202 -27.718 -2.419 523 HG2 PRO 79 1HG PRO 79 -5.343 -28.262 -5.132 524 HG3 PRO 79 2HG PRO 79 -5.659 -29.094 -3.599 525 HD2 PRO 79 1HD PRO 79 -7.349 -27.245 -4.627 526 HD3 PRO 79 2HD PRO 79 -7.136 -27.477 -2.880 527 H SER 80 H SER 80 -5.240 -26.382 -6.041 528 HA SER 80 HA SER 80 -3.019 -24.784 -7.138 529 HB2 SER 80 1HB SER 80 -2.905 -27.290 -7.537 530 HB3 SER 80 2HB SER 80 -4.345 -27.111 -8.538 531 HG SER 80 HG SER 80 -3.145 -26.340 -10.075 532 H SER 81 H SER 81 -4.277 -22.896 -7.211 533 HA SER 81 HA SER 81 -6.624 -22.952 -8.971 534 HB2 SER 81 1HB SER 81 -7.113 -21.902 -6.881 535 HB3 SER 81 2HB SER 81 -5.650 -20.920 -6.957 536 HG SER 81 HG SER 81 -6.558 -19.820 -8.728 537 H GLY 82 H GLY 82 -6.815 -21.548 -10.735 538 HA2 GLY 82 1HA GLY 82 -5.984 -19.769 -12.123 539 HA3 GLY 82 2HA GLY 82 -4.368 -20.113 -11.524 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -16.675 24.450 -38.112 2 HA2 GLY 1 1HA GLY 1 -14.269 23.108 -37.193 3 HA3 GLY 1 2HA GLY 1 -14.670 24.805 -36.969 4 H SER 2 H SER 2 -14.526 21.752 -35.523 5 HA SER 2 HA SER 2 -16.486 22.083 -33.496 6 HB2 SER 2 1HB SER 2 -15.208 19.936 -34.294 7 HB3 SER 2 2HB SER 2 -14.026 20.420 -33.078 8 HG SER 2 HG SER 2 -15.315 19.503 -31.707 9 H SER 3 H SER 3 -13.004 22.713 -33.635 10 HA SER 3 HA SER 3 -11.634 24.003 -32.357 11 HB2 SER 3 1HB SER 3 -13.507 25.674 -32.789 12 HB3 SER 3 2HB SER 3 -14.121 25.259 -31.188 13 HG SER 3 HG SER 3 -12.723 27.090 -31.167 14 H GLY 4 H GLY 4 -12.233 21.470 -31.391 15 HA2 GLY 4 1HA GLY 4 -13.150 21.235 -28.794 16 HA3 GLY 4 2HA GLY 4 -11.899 20.218 -29.494 17 H SER 5 H SER 5 -11.828 20.756 -26.829 18 HA SER 5 HA SER 5 -9.290 22.110 -26.596 19 HB2 SER 5 1HB SER 5 -10.016 23.696 -24.871 20 HB3 SER 5 2HB SER 5 -10.871 23.991 -26.385 21 HG SER 5 HG SER 5 -12.003 23.726 -24.128 22 H SER 6 H SER 6 -8.232 20.496 -25.630 23 HA SER 6 HA SER 6 -9.526 19.056 -23.425 24 HB2 SER 6 1HB SER 6 -7.209 18.408 -25.234 25 HB3 SER 6 2HB SER 6 -7.451 17.537 -23.720 26 HG SER 6 HG SER 6 -8.461 16.678 -25.741 27 H GLY 7 H GLY 7 -6.414 20.588 -24.243 28 HA2 GLY 7 1HA GLY 7 -5.306 22.100 -22.771 29 HA3 GLY 7 2HA GLY 7 -6.149 21.355 -21.420 30 H GLN 8 H GLN 8 -3.226 21.869 -22.116 31 HA GLN 8 HA GLN 8 -2.014 19.309 -22.422 32 HB2 GLN 8 1HB GLN 8 -1.009 22.033 -21.659 33 HB3 GLN 8 2HB GLN 8 0.041 20.628 -21.534 34 HG2 GLN 8 1HG GLN 8 -0.053 20.226 -23.854 35 HG3 GLN 8 2HG GLN 8 -1.396 21.347 -24.068 36 HE21 GLN 8 1HE2 GLN 8 1.957 20.956 -24.091 37 HE22 GLN 8 2HE2 GLN 8 2.398 22.615 -24.282 38 H HIS 9 H HIS 9 -1.786 17.769 -20.952 39 HA HIS 9 HA HIS 9 -2.175 18.446 -18.124 40 HB2 HIS 9 1HB HIS 9 -2.533 15.934 -19.724 41 HB3 HIS 9 2HB HIS 9 -2.307 15.840 -17.980 42 HD1 HIS 9 1HD HIS 9 -4.960 15.195 -19.735 43 HD2 HIS 9 2HD HIS 9 -4.261 18.485 -17.295 44 HE1 HIS 9 1HE HIS 9 -7.236 16.054 -19.096 45 H GLN 10 H GLN 10 -0.662 18.016 -16.582 46 HA GLN 10 HA GLN 10 1.800 16.647 -17.375 47 HB2 GLN 10 1HB GLN 10 2.303 18.979 -17.744 48 HB3 GLN 10 2HB GLN 10 1.669 19.409 -16.160 49 HG2 GLN 10 1HG GLN 10 3.509 17.771 -15.300 50 HG3 GLN 10 2HG GLN 10 4.234 18.077 -16.878 51 HE21 GLN 10 1HE2 GLN 10 5.595 19.704 -16.967 52 HE22 GLN 10 2HE2 GLN 10 5.631 21.065 -15.904 53 H GLU 11 H GLU 11 2.226 15.121 -15.935 54 HA GLU 11 HA GLU 11 2.216 15.614 -13.127 55 HB2 GLU 11 1HB GLU 11 -0.216 15.280 -13.552 56 HB3 GLU 11 2HB GLU 11 0.146 13.672 -14.163 57 HG2 GLU 11 1HG GLU 11 0.794 12.892 -12.054 58 HG3 GLU 11 2HG GLU 11 0.934 14.523 -11.400 59 H ALA 12 H ALA 12 4.158 14.723 -12.798 60 HA ALA 12 HA ALA 12 4.481 11.913 -12.829 61 HB1 ALA 12 1HB ALA 12 5.947 13.424 -14.988 62 HB2 ALA 12 2HB ALA 12 6.269 11.754 -14.520 63 HB3 ALA 12 3HB ALA 12 4.710 12.188 -15.220 64 H GLY 13 H GLY 13 6.780 11.284 -12.276 65 HA2 GLY 13 1HA GLY 13 8.885 12.773 -11.580 66 HA3 GLY 13 2HA GLY 13 7.760 13.169 -10.290 67 H ALA 14 H ALA 14 8.941 12.240 -8.647 68 HA ALA 14 HA ALA 14 9.534 9.375 -8.852 69 HB1 ALA 14 1HB ALA 14 10.929 9.704 -6.869 70 HB2 ALA 14 2HB ALA 14 11.384 10.804 -8.171 71 HB3 ALA 14 3HB ALA 14 10.438 11.397 -6.806 72 H GLY 15 H GLY 15 8.352 7.900 -7.812 73 HA2 GLY 15 1HA GLY 15 6.052 8.729 -6.293 74 HA3 GLY 15 2HA GLY 15 6.519 7.075 -6.664 75 H ASP 16 H ASP 16 7.249 9.820 -4.553 76 HA ASP 16 HA ASP 16 8.157 7.891 -2.518 77 HB2 ASP 16 1HB ASP 16 9.355 10.098 -1.642 78 HB3 ASP 16 2HB ASP 16 10.109 9.049 -2.839 79 H LEU 17 H LEU 17 5.482 8.454 -2.746 80 HA LEU 17 HA LEU 17 5.007 10.023 -0.307 81 HB2 LEU 17 1HB LEU 17 3.027 10.029 -2.549 82 HB3 LEU 17 2HB LEU 17 3.186 11.155 -1.202 83 HG LEU 17 HG LEU 17 5.194 10.986 -3.439 84 HD11 LEU 17 1HD1 LEU 17 2.618 12.487 -3.251 85 HD12 LEU 17 2HD1 LEU 17 3.320 11.629 -4.623 86 HD13 LEU 17 3HD1 LEU 17 3.989 13.180 -4.116 87 HD21 LEU 17 1HD2 LEU 17 6.186 12.808 -2.516 88 HD22 LEU 17 2HD2 LEU 17 5.518 12.103 -1.044 89 HD23 LEU 17 3HD2 LEU 17 4.677 13.430 -1.846 90 H CYS 18 H CYS 18 3.696 9.083 1.151 91 HA CYS 18 HA CYS 18 3.181 6.465 1.344 92 HB2 CYS 18 1HB CYS 18 2.653 8.114 3.107 93 HB3 CYS 18 2HB CYS 18 1.226 8.608 2.203 94 H ALA 19 H ALA 19 1.621 4.978 0.758 95 HA ALA 19 HA ALA 19 0.116 5.660 -1.645 96 HB1 ALA 19 1HB ALA 19 0.064 2.905 -0.564 97 HB2 ALA 19 2HB ALA 19 0.229 3.471 -2.226 98 HB3 ALA 19 3HB ALA 19 1.616 3.515 -1.138 99 H LEU 20 H LEU 20 -0.386 5.028 1.709 100 HA LEU 20 HA LEU 20 -3.138 4.275 1.519 101 HB2 LEU 20 1HB LEU 20 -1.209 4.881 3.666 102 HB3 LEU 20 2HB LEU 20 -2.903 5.178 4.049 103 HG LEU 20 HG LEU 20 -2.004 2.938 4.746 104 HD11 LEU 20 1HD1 LEU 20 -3.991 1.695 3.858 105 HD12 LEU 20 2HD1 LEU 20 -4.354 3.111 2.873 106 HD13 LEU 20 3HD1 LEU 20 -4.360 3.236 4.632 107 HD21 LEU 20 1HD2 LEU 20 -2.366 1.749 2.129 108 HD22 LEU 20 2HD2 LEU 20 -1.062 1.534 3.297 109 HD23 LEU 20 3HD2 LEU 20 -1.013 2.881 2.159 110 H CYS 21 H CYS 21 -1.551 7.241 2.714 111 HA CYS 21 HA CYS 21 -4.068 8.689 2.411 112 HB2 CYS 21 1HB CYS 21 -2.793 10.553 3.522 113 HB3 CYS 21 2HB CYS 21 -2.952 9.091 4.490 114 H GLY 22 H GLY 22 -0.660 9.055 1.419 115 HA2 GLY 22 1HA GLY 22 0.010 9.612 -0.788 116 HA3 GLY 22 2HA GLY 22 -1.595 10.264 -1.083 117 H GLU 23 H GLU 23 0.498 10.965 1.674 118 HA GLU 23 HA GLU 23 0.395 13.798 0.929 119 HB2 GLU 23 1HB GLU 23 0.780 12.333 3.510 120 HB3 GLU 23 2HB GLU 23 1.390 13.974 3.353 121 HG2 GLU 23 1HG GLU 23 -1.450 13.027 3.146 122 HG3 GLU 23 2HG GLU 23 -0.751 14.136 4.324 123 H HIS 24 H HIS 24 2.811 11.944 2.759 124 HA HIS 24 HA HIS 24 4.859 12.316 0.794 125 HB2 HIS 24 1HB HIS 24 4.516 14.572 2.123 126 HB3 HIS 24 2HB HIS 24 5.459 13.739 3.355 127 HD1 HIS 24 1HD HIS 24 5.723 15.023 -0.176 128 HD2 HIS 24 2HD HIS 24 8.166 13.560 2.849 129 HE1 HIS 24 1HE HIS 24 8.078 15.443 -0.952 130 H LEU 25 H LEU 25 7.112 11.872 2.013 131 HA LEU 25 HA LEU 25 6.791 9.904 4.131 132 HB2 LEU 25 1HB LEU 25 7.891 9.262 1.406 133 HB3 LEU 25 2HB LEU 25 8.198 8.267 2.828 134 HG LEU 25 HG LEU 25 5.399 8.852 1.918 135 HD11 LEU 25 1HD1 LEU 25 5.852 7.783 0.008 136 HD12 LEU 25 2HD1 LEU 25 5.922 6.330 1.006 137 HD13 LEU 25 3HD1 LEU 25 7.406 7.190 0.596 138 HD21 LEU 25 1HD2 LEU 25 4.861 6.876 3.142 139 HD22 LEU 25 2HD2 LEU 25 5.865 7.890 4.179 140 HD23 LEU 25 3HD2 LEU 25 6.565 6.485 3.373 141 H TYR 26 H TYR 26 8.901 9.161 4.980 142 HA TYR 26 HA TYR 26 10.979 11.214 4.590 143 HB2 TYR 26 1HB TYR 26 9.672 11.080 6.842 144 HB3 TYR 26 2HB TYR 26 10.683 9.672 7.148 145 HD1 TYR 26 1HD TYR 26 11.143 13.165 5.878 146 HD2 TYR 26 2HD TYR 26 12.559 10.060 8.419 147 HE1 TYR 26 1HE TYR 26 12.947 14.639 6.665 148 HE2 TYR 26 2HE TYR 26 14.366 11.526 9.214 149 HH TYR 26 HH TYR 26 15.593 13.492 8.492 150 H VAL 27 H VAL 27 13.100 10.225 5.803 151 HA VAL 27 HA VAL 27 13.829 7.974 4.135 152 HB VAL 27 HB VAL 27 15.478 9.570 6.102 153 HG11 VAL 27 1HG1 VAL 27 17.399 8.529 4.838 154 HG12 VAL 27 2HG1 VAL 27 16.500 7.441 5.898 155 HG13 VAL 27 3HG1 VAL 27 16.229 7.401 4.155 156 HG21 VAL 27 1HG2 VAL 27 14.552 10.707 4.006 157 HG22 VAL 27 2HG2 VAL 27 16.290 10.809 4.286 158 HG23 VAL 27 3HG2 VAL 27 15.653 9.663 3.106 159 H LEU 28 H LEU 28 13.640 8.697 7.604 160 HA LEU 28 HA LEU 28 14.075 5.858 8.198 161 HB2 LEU 28 1HB LEU 28 14.135 8.319 9.930 162 HB3 LEU 28 2HB LEU 28 14.238 6.680 10.570 163 HG LEU 28 HG LEU 28 16.266 6.562 8.844 164 HD11 LEU 28 1HD1 LEU 28 17.492 8.657 8.803 165 HD12 LEU 28 2HD1 LEU 28 16.177 9.464 9.656 166 HD13 LEU 28 3HD1 LEU 28 15.920 8.845 8.025 167 HD21 LEU 28 1HD2 LEU 28 16.240 6.196 11.331 168 HD22 LEU 28 2HD2 LEU 28 16.562 7.921 11.515 169 HD23 LEU 28 3HD2 LEU 28 17.729 6.888 10.687 170 H GLU 29 H GLU 29 11.563 7.053 7.120 171 HA GLU 29 HA GLU 29 9.773 6.012 9.203 172 HB2 GLU 29 1HB GLU 29 9.166 8.441 7.512 173 HB3 GLU 29 2HB GLU 29 8.146 7.753 8.767 174 HG2 GLU 29 1HG GLU 29 10.066 8.231 10.365 175 HG3 GLU 29 2HG GLU 29 10.741 9.220 9.072 176 H ARG 30 H ARG 30 10.327 6.715 5.800 177 HA ARG 30 HA ARG 30 8.009 5.597 4.722 178 HB2 ARG 30 1HB ARG 30 9.185 5.491 2.636 179 HB3 ARG 30 2HB ARG 30 9.712 6.943 3.477 180 HG2 ARG 30 1HG ARG 30 11.734 5.738 4.221 181 HG3 ARG 30 2HG ARG 30 11.214 4.342 3.274 182 HD2 ARG 30 1HD ARG 30 11.199 5.828 1.258 183 HD3 ARG 30 2HD ARG 30 11.935 7.084 2.254 184 HE ARG 30 HE ARG 30 13.457 4.724 2.443 185 HH11 ARG 30 2HH1 ARG 30 12.676 7.260 0.189 186 HH12 ARG 30 1HH1 ARG 30 14.174 7.134 -0.673 187 HH21 ARG 30 2HH2 ARG 30 15.432 4.548 1.316 188 HH22 ARG 30 1HH2 ARG 30 15.740 5.590 -0.032 189 H LEU 31 H LEU 31 7.353 3.564 4.274 190 HA LEU 31 HA LEU 31 9.038 1.380 5.269 191 HB2 LEU 31 1HB LEU 31 6.115 1.814 4.999 192 HB3 LEU 31 2HB LEU 31 6.712 0.163 4.843 193 HG LEU 31 HG LEU 31 7.755 0.391 7.090 194 HD11 LEU 31 1HD1 LEU 31 7.260 3.103 6.702 195 HD12 LEU 31 2HD1 LEU 31 7.859 2.328 8.168 196 HD13 LEU 31 3HD1 LEU 31 6.129 2.606 7.961 197 HD21 LEU 31 1HD2 LEU 31 5.677 -0.742 6.976 198 HD22 LEU 31 2HD2 LEU 31 4.782 0.768 6.802 199 HD23 LEU 31 3HD2 LEU 31 5.565 0.377 8.335 200 H CYS 32 H CYS 32 10.353 0.806 3.610 201 HA CYS 32 HA CYS 32 9.557 0.717 0.892 202 HB2 CYS 32 1HB CYS 32 11.686 -0.519 0.549 203 HB3 CYS 32 2HB CYS 32 11.894 0.966 1.469 204 HG CYS 32 HG CYS 32 13.142 -0.137 3.411 205 H VAL 33 H VAL 33 7.773 -0.530 0.532 206 HA VAL 33 HA VAL 33 8.089 -3.416 1.037 207 HB VAL 33 HB VAL 33 5.526 -1.826 1.210 208 HG11 VAL 33 1HG1 VAL 33 4.493 -3.968 1.856 209 HG12 VAL 33 2HG1 VAL 33 5.112 -3.991 0.204 210 HG13 VAL 33 3HG1 VAL 33 6.010 -4.790 1.495 211 HG21 VAL 33 1HG2 VAL 33 5.520 -2.442 3.550 212 HG22 VAL 33 2HG2 VAL 33 7.013 -3.358 3.343 213 HG23 VAL 33 3HG2 VAL 33 7.022 -1.603 3.161 214 H ASN 34 H ASN 34 8.533 -4.246 -0.911 215 HA ASN 34 HA ASN 34 8.309 -4.856 -3.090 216 HB2 ASN 34 1HB ASN 34 5.496 -3.795 -2.738 217 HB3 ASN 34 2HB ASN 34 6.049 -4.798 -4.077 218 HD21 ASN 34 1HD2 ASN 34 3.935 -5.588 -2.567 219 HD22 ASN 34 2HD2 ASN 34 4.373 -6.955 -1.605 220 H GLY 35 H GLY 35 9.242 -2.171 -2.382 221 HA2 GLY 35 1HA GLY 35 10.167 -0.570 -3.844 222 HA3 GLY 35 2HA GLY 35 8.942 -0.983 -5.035 223 H HIS 36 H HIS 36 6.794 -0.785 -2.990 224 HA HIS 36 HA HIS 36 6.370 2.069 -3.249 225 HB2 HIS 36 1HB HIS 36 4.565 -0.048 -2.060 226 HB3 HIS 36 2HB HIS 36 4.105 1.603 -2.465 227 HD1 HIS 36 1HD HIS 36 4.934 2.015 -5.246 228 HD2 HIS 36 2HD HIS 36 3.534 -1.673 -3.941 229 HE1 HIS 36 1HE HIS 36 4.144 0.824 -7.316 230 H PHE 37 H PHE 37 5.957 3.493 -1.536 231 HA PHE 37 HA PHE 37 7.015 2.591 1.061 232 HB2 PHE 37 1HB PHE 37 7.112 5.308 -0.258 233 HB3 PHE 37 2HB PHE 37 7.559 5.027 1.422 234 HD1 PHE 37 2HD PHE 37 9.528 3.637 1.959 235 HD2 PHE 37 1HD PHE 37 8.565 4.732 -2.040 236 HE1 PHE 37 2HE PHE 37 11.811 3.052 1.252 237 HE2 PHE 37 1HE PHE 37 10.846 4.148 -2.753 238 HZ PHE 37 HZ PHE 37 12.473 3.308 -1.106 239 H PHE 38 H PHE 38 5.967 3.187 2.950 240 HA PHE 38 HA PHE 38 3.487 4.708 2.756 241 HB2 PHE 38 1HB PHE 38 3.447 2.028 4.126 242 HB3 PHE 38 2HB PHE 38 2.085 3.034 3.644 243 HD1 PHE 38 1HD PHE 38 5.021 1.381 2.034 244 HD2 PHE 38 2HD PHE 38 0.869 2.301 1.852 245 HE1 PHE 38 1HE PHE 38 4.835 0.114 -0.068 246 HE2 PHE 38 2HE PHE 38 0.677 1.035 -0.249 247 HZ PHE 38 HZ PHE 38 2.661 -0.061 -1.211 248 H HIS 39 H HIS 39 2.566 5.184 4.920 249 HA HIS 39 HA HIS 39 4.677 5.953 6.717 250 HB2 HIS 39 1HB HIS 39 1.705 6.388 6.648 251 HB3 HIS 39 2HB HIS 39 2.640 6.802 8.082 252 HD2 HIS 39 2HD HIS 39 5.209 8.156 6.444 253 HE1 HIS 39 1HE HIS 39 2.225 10.799 4.992 254 HE2 HIS 39 2HE HIS 39 4.698 10.388 5.241 255 H ARG 40 H ARG 40 5.042 5.236 8.795 256 HA ARG 40 HA ARG 40 4.535 2.523 9.335 257 HB2 ARG 40 1HB ARG 40 5.651 4.805 10.922 258 HB3 ARG 40 2HB ARG 40 5.294 3.283 11.727 259 HG2 ARG 40 1HG ARG 40 6.741 2.150 10.022 260 HG3 ARG 40 2HG ARG 40 7.221 3.756 9.469 261 HD2 ARG 40 1HD ARG 40 7.906 4.234 11.852 262 HD3 ARG 40 2HD ARG 40 7.672 2.516 12.175 263 HE ARG 40 HE ARG 40 9.382 2.907 9.945 264 HH11 ARG 40 2HH1 ARG 40 9.297 3.062 13.422 265 HH12 ARG 40 1HH1 ARG 40 10.991 2.746 13.608 266 HH21 ARG 40 2HH2 ARG 40 11.612 2.490 10.176 267 HH22 ARG 40 1HH2 ARG 40 12.307 2.421 11.761 268 H SER 41 H SER 41 2.611 5.287 9.794 269 HA SER 41 HA SER 41 1.025 4.081 11.926 270 HB2 SER 41 1HB SER 41 1.685 6.625 11.648 271 HB3 SER 41 2HB SER 41 0.266 6.655 10.603 272 HG SER 41 HG SER 41 -0.868 5.675 12.432 273 H CYS 42 H CYS 42 0.693 5.125 8.558 274 HA CYS 42 HA CYS 42 -2.032 4.387 8.293 275 HB2 CYS 42 1HB CYS 42 0.133 4.769 6.217 276 HB3 CYS 42 2HB CYS 42 -1.569 4.530 5.838 277 H PHE 43 H PHE 43 0.976 2.774 7.280 278 HA PHE 43 HA PHE 43 -0.112 0.503 6.140 279 HB2 PHE 43 1HB PHE 43 2.354 1.258 6.299 280 HB3 PHE 43 2HB PHE 43 2.377 0.381 7.825 281 HD1 PHE 43 1HD PHE 43 1.910 -2.071 7.833 282 HD2 PHE 43 2HD PHE 43 2.491 0.132 4.238 283 HE1 PHE 43 1HE PHE 43 2.348 -4.168 6.623 284 HE2 PHE 43 2HE PHE 43 2.929 -1.961 3.022 285 HZ PHE 43 HZ PHE 43 2.857 -4.115 4.214 286 H ARG 44 H ARG 44 -1.805 -0.471 7.134 287 HA ARG 44 HA ARG 44 -1.221 -1.853 9.649 288 HB2 ARG 44 1HB ARG 44 -3.793 -0.346 9.141 289 HB3 ARG 44 2HB ARG 44 -3.399 -1.282 10.577 290 HG2 ARG 44 1HG ARG 44 -1.801 0.280 11.292 291 HG3 ARG 44 2HG ARG 44 -1.755 1.074 9.716 292 HD2 ARG 44 1HD ARG 44 -3.887 2.036 10.030 293 HD3 ARG 44 2HD ARG 44 -4.238 0.992 11.406 294 HE ARG 44 HE ARG 44 -1.964 2.658 11.861 295 HH11 ARG 44 2HH1 ARG 44 -5.445 2.579 11.882 296 HH12 ARG 44 1HH1 ARG 44 -5.597 3.857 13.042 297 HH21 ARG 44 2HH2 ARG 44 -2.152 4.341 13.389 298 HH22 ARG 44 1HH2 ARG 44 -3.723 4.859 13.898 299 H CYS 45 H CYS 45 -3.196 -3.391 10.128 300 HA CYS 45 HA CYS 45 -3.244 -5.338 8.146 301 HB2 CYS 45 1HB CYS 45 -3.780 -5.671 10.577 302 HB3 CYS 45 2HB CYS 45 -5.356 -4.947 10.273 303 H HIS 46 H HIS 46 -5.215 -6.210 7.051 304 HA HIS 46 HA HIS 46 -6.663 -3.995 5.784 305 HB2 HIS 46 1HB HIS 46 -5.484 -5.347 4.197 306 HB3 HIS 46 2HB HIS 46 -6.125 -6.831 4.895 307 HD1 HIS 46 1HD HIS 46 -6.886 -4.173 2.450 308 HD2 HIS 46 2HD HIS 46 -8.873 -7.331 4.277 309 HE1 HIS 46 1HE HIS 46 -8.983 -4.517 1.105 310 H THR 47 H THR 47 -7.118 -6.124 8.225 311 HA THR 47 HA THR 47 -10.020 -6.290 7.729 312 HB THR 47 HB THR 47 -8.197 -8.253 9.107 313 HG1 THR 47 1HG THR 47 -8.710 -8.359 6.777 314 HG21 THR 47 1HG2 THR 47 -10.123 -7.891 10.570 315 HG22 THR 47 2HG2 THR 47 -10.201 -9.481 9.810 316 HG23 THR 47 3HG2 THR 47 -11.215 -8.167 9.213 317 H CYS 48 H CYS 48 -7.490 -5.883 10.167 318 HA CYS 48 HA CYS 48 -9.499 -4.690 11.962 319 HB2 CYS 48 1HB CYS 48 -7.926 -5.204 13.804 320 HB3 CYS 48 2HB CYS 48 -8.452 -6.650 12.948 321 H GLU 49 H GLU 49 -7.108 -3.902 9.841 322 HA GLU 49 HA GLU 49 -5.735 -2.104 9.520 323 HB2 GLU 49 1HB GLU 49 -7.935 -0.749 11.090 324 HB3 GLU 49 2HB GLU 49 -6.746 0.070 10.085 325 HG2 GLU 49 1HG GLU 49 -7.618 -1.189 8.130 326 HG3 GLU 49 2HG GLU 49 -8.886 -1.836 9.171 327 H ALA 50 H ALA 50 -4.657 -3.569 11.456 328 HA ALA 50 HA ALA 50 -4.050 -1.764 13.690 329 HB1 ALA 50 1HB ALA 50 -3.153 -3.708 14.829 330 HB2 ALA 50 2HB ALA 50 -4.793 -4.034 14.265 331 HB3 ALA 50 3HB ALA 50 -3.411 -4.696 13.391 332 H THR 51 H THR 51 -1.973 -1.116 14.160 333 HA THR 51 HA THR 51 -0.212 -0.604 12.100 334 HB THR 51 HB THR 51 0.596 -0.945 14.992 335 HG1 THR 51 1HG THR 51 -0.255 1.006 15.365 336 HG21 THR 51 1HG2 THR 51 2.060 1.100 14.141 337 HG22 THR 51 2HG2 THR 51 1.838 0.291 12.589 338 HG23 THR 51 3HG2 THR 51 2.589 -0.569 13.933 339 H LEU 52 H LEU 52 0.364 -2.302 10.811 340 HA LEU 52 HA LEU 52 1.229 -4.821 11.814 341 HB2 LEU 52 1HB LEU 52 1.659 -3.601 9.091 342 HB3 LEU 52 2HB LEU 52 1.856 -5.302 9.509 343 HG LEU 52 HG LEU 52 -0.757 -3.796 9.598 344 HD11 LEU 52 1HD1 LEU 52 -0.306 -3.939 7.332 345 HD12 LEU 52 2HD1 LEU 52 -1.216 -5.418 7.637 346 HD13 LEU 52 3HD1 LEU 52 0.540 -5.478 7.492 347 HD21 LEU 52 1HD2 LEU 52 -1.753 -5.688 10.340 348 HD22 LEU 52 2HD2 LEU 52 -0.155 -5.972 11.032 349 HD23 LEU 52 3HD2 LEU 52 -0.610 -6.748 9.514 350 H TRP 53 H TRP 53 2.926 -4.559 13.230 351 HA TRP 53 HA TRP 53 5.174 -2.939 12.830 352 HB2 TRP 53 1HB TRP 53 5.301 -5.537 14.341 353 HB3 TRP 53 2HB TRP 53 6.127 -4.019 14.685 354 HD1 TRP 53 HD TRP 53 2.826 -5.825 15.244 355 HE1 TRP 53 1HE TRP 53 1.422 -4.495 16.942 356 HE3 TRP 53 3HE TRP 53 5.699 -1.607 15.543 357 HZ2 TRP 53 2HZ TRP 53 1.520 -1.988 18.237 358 HZ3 TRP 53 3HZ TRP 53 4.973 0.211 17.035 359 HH2 TRP 53 HH TRP 53 2.927 0.022 18.352 360 HA PRO 54 HA PRO 54 7.669 -5.038 9.893 361 HB2 PRO 54 1HB PRO 54 10.163 -4.539 10.843 362 HB3 PRO 54 2HB PRO 54 9.159 -3.299 10.083 363 HG2 PRO 54 1HG PRO 54 9.622 -3.841 12.990 364 HG3 PRO 54 2HG PRO 54 9.566 -2.288 12.137 365 HD2 PRO 54 1HD PRO 54 7.475 -3.239 13.570 366 HD3 PRO 54 2HD PRO 54 7.262 -2.238 12.120 367 H GLY 55 H GLY 55 6.965 -6.378 12.693 368 HA2 GLY 55 1HA GLY 55 8.536 -8.768 12.125 369 HA3 GLY 55 2HA GLY 55 8.754 -8.053 13.715 370 H GLY 56 H GLY 56 5.687 -8.013 12.028 371 HA2 GLY 56 1HA GLY 56 4.661 -10.353 13.346 372 HA3 GLY 56 2HA GLY 56 4.116 -8.859 14.094 373 H TYR 57 H TYR 57 4.639 -9.723 10.684 374 HA TYR 57 HA TYR 57 1.811 -9.743 10.138 375 HB2 TYR 57 1HB TYR 57 1.643 -7.809 8.825 376 HB3 TYR 57 2HB TYR 57 2.570 -7.279 10.224 377 HD1 TYR 57 2HD TYR 57 5.173 -7.376 9.955 378 HD2 TYR 57 1HD TYR 57 2.436 -7.339 6.698 379 HE1 TYR 57 2HE TYR 57 6.959 -6.568 8.471 380 HE2 TYR 57 1HE TYR 57 4.216 -6.532 5.204 381 HH TYR 57 HH TYR 57 6.433 -5.210 5.530 382 H GLU 58 H GLU 58 1.425 -9.985 7.720 383 HA GLU 58 HA GLU 58 3.645 -10.990 6.173 384 HB2 GLU 58 1HB GLU 58 1.453 -12.837 7.127 385 HB3 GLU 58 2HB GLU 58 2.553 -13.221 5.810 386 HG2 GLU 58 1HG GLU 58 4.449 -13.009 7.369 387 HG3 GLU 58 2HG GLU 58 3.306 -12.717 8.680 388 H GLN 59 H GLN 59 3.139 -11.294 3.966 389 HA GLN 59 HA GLN 59 0.640 -9.975 3.163 390 HB2 GLN 59 1HB GLN 59 2.643 -8.849 2.387 391 HB3 GLN 59 2HB GLN 59 3.245 -10.340 1.677 392 HG2 GLN 59 1HG GLN 59 0.988 -10.225 0.336 393 HG3 GLN 59 2HG GLN 59 1.109 -8.509 0.725 394 HE21 GLN 59 1HE2 GLN 59 1.149 -8.832 -1.796 395 HE22 GLN 59 2HE2 GLN 59 2.732 -8.795 -2.486 396 H HIS 60 H HIS 60 -0.921 -11.352 2.640 397 HA HIS 60 HA HIS 60 -0.444 -14.048 1.864 398 HB2 HIS 60 1HB HIS 60 -2.528 -12.968 3.018 399 HB3 HIS 60 2HB HIS 60 -3.053 -12.654 1.366 400 HD1 HIS 60 1HD HIS 60 -3.971 -14.606 0.041 401 HD2 HIS 60 2HD HIS 60 -2.357 -15.738 3.698 402 HE1 HIS 60 1HE HIS 60 -4.638 -17.010 0.355 403 HA PRO 61 HA PRO 61 0.334 -13.183 -2.435 404 HB2 PRO 61 1HB PRO 61 0.606 -15.776 -3.194 405 HB3 PRO 61 2HB PRO 61 1.873 -14.887 -2.339 406 HG2 PRO 61 1HG PRO 61 -0.142 -16.821 -1.260 407 HG3 PRO 61 2HG PRO 61 1.586 -16.681 -0.887 408 HD2 PRO 61 1HD PRO 61 -0.340 -15.689 0.737 409 HD3 PRO 61 2HD PRO 61 1.257 -14.931 0.576 410 H GLY 62 H GLY 62 -2.096 -15.433 -1.230 411 HA2 GLY 62 1HA GLY 62 -3.479 -16.208 -3.423 412 HA3 GLY 62 2HA GLY 62 -4.279 -15.722 -1.936 413 H ASP 63 H ASP 63 -4.026 -13.086 -1.789 414 HA ASP 63 HA ASP 63 -5.411 -12.153 -4.206 415 HB2 ASP 63 1HB ASP 63 -5.982 -10.200 -2.525 416 HB3 ASP 63 2HB ASP 63 -6.875 -11.717 -2.481 417 H GLY 64 H GLY 64 -3.010 -11.083 -1.802 418 HA2 GLY 64 1HA GLY 64 -0.904 -10.180 -2.708 419 HA3 GLY 64 2HA GLY 64 -1.881 -9.325 -3.893 420 H HIS 65 H HIS 65 -2.481 -9.660 -0.422 421 HA HIS 65 HA HIS 65 -2.008 -6.769 -0.129 422 HB2 HIS 65 1HB HIS 65 -4.352 -8.394 0.848 423 HB3 HIS 65 2HB HIS 65 -3.936 -6.833 1.551 424 HD1 HIS 65 1HD HIS 65 -4.290 -4.731 0.057 425 HD2 HIS 65 2HD HIS 65 -5.566 -8.295 -1.653 426 HE1 HIS 65 1HE HIS 65 -5.709 -4.063 -1.908 427 H PHE 66 H PHE 66 -2.253 -6.334 2.449 428 HA PHE 66 HA PHE 66 -0.403 -8.243 3.721 429 HB2 PHE 66 1HB PHE 66 -0.604 -5.242 4.000 430 HB3 PHE 66 2HB PHE 66 0.334 -6.249 5.098 431 HD1 PHE 66 2HD PHE 66 0.084 -4.947 1.683 432 HD2 PHE 66 1HD PHE 66 2.413 -7.230 4.418 433 HE1 PHE 66 2HE PHE 66 1.999 -4.833 0.142 434 HE2 PHE 66 1HE PHE 66 4.332 -7.119 2.882 435 HZ PHE 66 HZ PHE 66 4.126 -5.921 0.740 436 H TYR 67 H TYR 67 -1.108 -9.241 5.485 437 HA TYR 67 HA TYR 67 -3.239 -7.986 7.074 438 HB2 TYR 67 1HB TYR 67 -3.159 -10.935 6.425 439 HB3 TYR 67 2HB TYR 67 -4.435 -10.059 7.262 440 HD1 TYR 67 2HD TYR 67 -2.869 -10.693 3.995 441 HD2 TYR 67 1HD TYR 67 -6.081 -8.800 6.045 442 HE1 TYR 67 2HE TYR 67 -4.017 -10.331 1.850 443 HE2 TYR 67 1HE TYR 67 -7.238 -8.434 3.905 444 HH TYR 67 HH TYR 67 -5.898 -9.656 0.859 445 H CYS 68 H CYS 68 -3.408 -8.836 9.272 446 HA CYS 68 HA CYS 68 -0.835 -9.092 10.477 447 HB2 CYS 68 1HB CYS 68 -2.040 -9.158 12.590 448 HB3 CYS 68 2HB CYS 68 -2.713 -7.899 11.559 449 H LEU 69 H LEU 69 -0.522 -10.826 12.235 450 HA LEU 69 HA LEU 69 -0.601 -13.382 10.918 451 HB2 LEU 69 1HB LEU 69 0.297 -12.806 13.730 452 HB3 LEU 69 2HB LEU 69 0.745 -14.175 12.714 453 HG LEU 69 HG LEU 69 1.615 -11.307 12.390 454 HD11 LEU 69 1HD1 LEU 69 3.264 -13.776 12.876 455 HD12 LEU 69 2HD1 LEU 69 2.704 -12.708 14.163 456 HD13 LEU 69 3HD1 LEU 69 3.792 -12.094 12.918 457 HD21 LEU 69 1HD2 LEU 69 1.127 -12.580 10.239 458 HD22 LEU 69 2HD2 LEU 69 2.478 -13.624 10.683 459 HD23 LEU 69 3HD2 LEU 69 2.744 -11.900 10.419 460 H GLN 70 H GLN 70 -3.042 -11.897 12.169 461 HA GLN 70 HA GLN 70 -4.108 -14.275 13.541 462 HB2 GLN 70 1HB GLN 70 -3.782 -12.446 15.138 463 HB3 GLN 70 2HB GLN 70 -4.746 -11.378 14.126 464 HG2 GLN 70 1HG GLN 70 -6.727 -12.550 14.591 465 HG3 GLN 70 2HG GLN 70 -5.850 -13.921 15.269 466 HE21 GLN 70 1HE2 GLN 70 -6.087 -14.047 17.371 467 HE22 GLN 70 2HE2 GLN 70 -6.170 -12.721 18.475 468 H HIS 71 H HIS 71 -4.372 -12.138 10.952 469 HA HIS 71 HA HIS 71 -7.109 -13.080 10.396 470 HB2 HIS 71 1HB HIS 71 -5.873 -10.376 9.984 471 HB3 HIS 71 2HB HIS 71 -7.200 -10.908 8.957 472 HD2 HIS 71 2HD HIS 71 -8.341 -12.380 12.045 473 HE1 HIS 71 1HE HIS 71 -9.434 -8.306 12.499 474 HE2 HIS 71 2HE HIS 71 -9.698 -10.643 13.398 475 H LEU 72 H LEU 72 -3.869 -12.851 9.364 476 HA LEU 72 HA LEU 72 -4.045 -12.897 6.602 477 HB2 LEU 72 1HB LEU 72 -1.950 -12.756 7.895 478 HB3 LEU 72 2HB LEU 72 -2.121 -14.457 8.323 479 HG LEU 72 HG LEU 72 -2.159 -14.686 5.657 480 HD11 LEU 72 1HD1 LEU 72 -0.466 -12.252 6.200 481 HD12 LEU 72 2HD1 LEU 72 -1.939 -12.309 5.233 482 HD13 LEU 72 3HD1 LEU 72 -0.496 -13.164 4.691 483 HD21 LEU 72 1HD2 LEU 72 -0.671 -15.888 7.136 484 HD22 LEU 72 2HD2 LEU 72 0.293 -14.435 7.395 485 HD23 LEU 72 3HD2 LEU 72 0.249 -15.192 5.802 486 HA PRO 73 HA PRO 73 -6.356 -16.696 6.088 487 HB2 PRO 73 1HB PRO 73 -6.587 -16.479 3.391 488 HB3 PRO 73 2HB PRO 73 -7.595 -15.563 4.519 489 HG2 PRO 73 1HG PRO 73 -5.150 -14.692 3.026 490 HG3 PRO 73 2HG PRO 73 -6.670 -13.817 3.292 491 HD2 PRO 73 1HD PRO 73 -4.436 -13.333 4.744 492 HD3 PRO 73 2HD PRO 73 -6.069 -13.168 5.420 493 H GLN 74 H GLN 74 -6.129 -18.392 4.089 494 HA GLN 74 HA GLN 74 -3.370 -18.858 3.358 495 HB2 GLN 74 1HB GLN 74 -4.747 -20.384 5.502 496 HB3 GLN 74 2HB GLN 74 -3.783 -21.310 4.359 497 HG2 GLN 74 1HG GLN 74 -2.763 -18.967 5.948 498 HG3 GLN 74 2HG GLN 74 -2.557 -20.657 6.402 499 HE21 GLN 74 1HE2 GLN 74 -0.396 -19.008 6.066 500 HE22 GLN 74 2HE2 GLN 74 0.490 -19.491 4.664 501 H THR 75 H THR 75 -3.173 -20.092 1.549 502 HA THR 75 HA THR 75 -5.173 -20.340 -0.271 503 HB THR 75 HB THR 75 -3.855 -22.126 -1.378 504 HG1 THR 75 1HG THR 75 -3.162 -23.035 0.746 505 HG21 THR 75 1HG2 THR 75 -2.197 -20.701 -2.051 506 HG22 THR 75 2HG2 THR 75 -1.812 -20.197 -0.405 507 HG23 THR 75 3HG2 THR 75 -3.239 -19.551 -1.214 508 H ASP 76 H ASP 76 -4.653 -22.330 2.499 509 HA ASP 76 HA ASP 76 -6.354 -24.479 1.559 510 HB2 ASP 76 1HB ASP 76 -4.316 -24.641 3.183 511 HB3 ASP 76 2HB ASP 76 -5.480 -24.152 4.412 512 H SER 77 H SER 77 -8.226 -23.116 1.155 513 HA SER 77 HA SER 77 -9.858 -22.843 3.571 514 HB2 SER 77 1HB SER 77 -8.983 -20.596 3.112 515 HB3 SER 77 2HB SER 77 -9.587 -20.689 1.458 516 HG SER 77 HG SER 77 -10.877 -19.830 3.571 517 H GLY 78 H GLY 78 -12.064 -23.151 3.262 518 HA2 GLY 78 1HA GLY 78 -14.000 -23.383 1.863 519 HA3 GLY 78 2HA GLY 78 -12.936 -23.803 0.528 520 HA PRO 79 HA PRO 79 -14.677 -27.600 2.832 521 HB2 PRO 79 1HB PRO 79 -16.611 -28.305 1.062 522 HB3 PRO 79 2HB PRO 79 -16.911 -27.235 2.437 523 HG2 PRO 79 1HG PRO 79 -16.425 -26.538 -0.433 524 HG3 PRO 79 2HG PRO 79 -17.613 -25.863 0.697 525 HD2 PRO 79 1HD PRO 79 -15.290 -24.605 0.102 526 HD3 PRO 79 2HD PRO 79 -16.065 -24.477 1.694 527 H SER 80 H SER 80 -13.533 -29.380 2.424 528 HA SER 80 HA SER 80 -11.735 -29.851 0.516 529 HB2 SER 80 1HB SER 80 -13.501 -31.709 2.038 530 HB3 SER 80 2HB SER 80 -12.538 -32.386 0.725 531 HG SER 80 HG SER 80 -11.688 -31.142 3.100 532 H SER 81 H SER 81 -11.640 -30.149 -1.614 533 HA SER 81 HA SER 81 -14.165 -30.594 -3.057 534 HB2 SER 81 1HB SER 81 -13.032 -28.478 -3.591 535 HB3 SER 81 2HB SER 81 -11.578 -29.366 -4.044 536 HG SER 81 HG SER 81 -12.471 -29.907 -5.884 537 H GLY 82 H GLY 82 -14.428 -32.346 -4.312 538 HA2 GLY 82 1HA GLY 82 -13.922 -34.251 -5.515 539 HA3 GLY 82 2HA GLY 82 -12.227 -33.794 -5.441 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -33.106 8.722 -29.466 2 HA2 GLY 1 1HA GLY 1 -30.612 8.492 -30.724 3 HA3 GLY 1 2HA GLY 1 -30.965 10.203 -30.537 4 H SER 2 H SER 2 -28.806 8.814 -29.309 5 HA SER 2 HA SER 2 -29.098 9.732 -26.644 6 HB2 SER 2 1HB SER 2 -30.337 7.415 -26.767 7 HB3 SER 2 2HB SER 2 -28.700 6.762 -26.710 8 HG SER 2 HG SER 2 -28.596 7.262 -24.674 9 H SER 3 H SER 3 -27.140 10.094 -25.742 10 HA SER 3 HA SER 3 -24.802 8.599 -26.311 11 HB2 SER 3 1HB SER 3 -25.250 10.004 -28.460 12 HB3 SER 3 2HB SER 3 -24.664 11.358 -27.493 13 HG SER 3 HG SER 3 -22.698 10.577 -27.575 14 H GLY 4 H GLY 4 -22.974 9.319 -25.119 15 HA2 GLY 4 1HA GLY 4 -22.634 11.680 -23.756 16 HA3 GLY 4 2HA GLY 4 -23.673 10.714 -22.719 17 H SER 5 H SER 5 -20.637 11.635 -22.974 18 HA SER 5 HA SER 5 -19.634 9.445 -21.428 19 HB2 SER 5 1HB SER 5 -19.390 8.549 -23.739 20 HB3 SER 5 2HB SER 5 -18.360 9.926 -24.132 21 HG SER 5 HG SER 5 -16.847 8.615 -23.458 22 H SER 6 H SER 6 -17.278 9.803 -20.867 23 HA SER 6 HA SER 6 -16.171 12.412 -21.262 24 HB2 SER 6 1HB SER 6 -18.057 12.599 -19.449 25 HB3 SER 6 2HB SER 6 -16.856 11.852 -18.396 26 HG SER 6 HG SER 6 -17.040 14.392 -19.101 27 H GLY 7 H GLY 7 -14.287 12.702 -19.538 28 HA2 GLY 7 1HA GLY 7 -13.105 10.321 -18.511 29 HA3 GLY 7 2HA GLY 7 -12.379 10.770 -20.047 30 H GLN 8 H GLN 8 -11.037 10.659 -17.533 31 HA GLN 8 HA GLN 8 -9.794 13.234 -17.576 32 HB2 GLN 8 1HB GLN 8 -11.931 13.362 -16.050 33 HB3 GLN 8 2HB GLN 8 -10.905 12.530 -14.889 34 HG2 GLN 8 1HG GLN 8 -9.314 14.321 -14.922 35 HG3 GLN 8 2HG GLN 8 -10.183 15.125 -16.228 36 HE21 GLN 8 1HE2 GLN 8 -9.483 15.800 -13.345 37 HE22 GLN 8 2HE2 GLN 8 -10.976 16.360 -12.680 38 H HIS 9 H HIS 9 -7.704 12.844 -17.324 39 HA HIS 9 HA HIS 9 -6.845 10.807 -15.400 40 HB2 HIS 9 1HB HIS 9 -5.210 9.908 -16.988 41 HB3 HIS 9 2HB HIS 9 -6.849 9.730 -17.609 42 HD1 HIS 9 1HD HIS 9 -6.305 9.750 -20.072 43 HD2 HIS 9 2HD HIS 9 -4.753 13.030 -18.048 44 HE1 HIS 9 1HE HIS 9 -5.456 11.302 -21.859 45 H GLN 10 H GLN 10 -4.297 10.903 -15.302 46 HA GLN 10 HA GLN 10 -3.325 13.641 -15.567 47 HB2 GLN 10 1HB GLN 10 -3.797 12.215 -12.995 48 HB3 GLN 10 2HB GLN 10 -2.356 13.214 -13.128 49 HG2 GLN 10 1HG GLN 10 -5.028 14.314 -13.882 50 HG3 GLN 10 2HG GLN 10 -4.535 14.233 -12.191 51 HE21 GLN 10 1HE2 GLN 10 -5.014 16.651 -12.957 52 HE22 GLN 10 2HE2 GLN 10 -3.580 17.553 -13.294 53 H GLU 11 H GLU 11 -1.027 13.830 -15.451 54 HA GLU 11 HA GLU 11 0.317 11.407 -16.332 55 HB2 GLU 11 1HB GLU 11 0.512 13.760 -17.404 56 HB3 GLU 11 2HB GLU 11 1.616 14.104 -16.080 57 HG2 GLU 11 1HG GLU 11 2.890 12.031 -16.811 58 HG3 GLU 11 2HG GLU 11 1.916 12.089 -18.279 59 H ALA 12 H ALA 12 1.968 10.394 -15.282 60 HA ALA 12 HA ALA 12 2.152 10.772 -12.452 61 HB1 ALA 12 1HB ALA 12 4.118 9.018 -12.935 62 HB2 ALA 12 2HB ALA 12 2.415 8.563 -12.863 63 HB3 ALA 12 3HB ALA 12 3.190 8.833 -14.424 64 H GLY 13 H GLY 13 3.482 12.081 -11.388 65 HA2 GLY 13 1HA GLY 13 5.687 13.337 -12.854 66 HA3 GLY 13 2HA GLY 13 4.988 13.912 -11.348 67 H ALA 14 H ALA 14 5.085 11.557 -9.848 68 HA ALA 14 HA ALA 14 7.840 10.633 -9.871 69 HB1 ALA 14 1HB ALA 14 7.203 12.844 -8.334 70 HB2 ALA 14 2HB ALA 14 7.164 11.503 -7.190 71 HB3 ALA 14 3HB ALA 14 8.616 11.806 -8.144 72 H GLY 15 H GLY 15 8.183 9.103 -7.912 73 HA2 GLY 15 1HA GLY 15 5.681 7.634 -7.370 74 HA3 GLY 15 2HA GLY 15 7.119 6.794 -7.932 75 H ASP 16 H ASP 16 6.633 9.344 -5.496 76 HA ASP 16 HA ASP 16 7.662 7.495 -3.459 77 HB2 ASP 16 1HB ASP 16 8.568 10.355 -3.850 78 HB3 ASP 16 2HB ASP 16 9.035 9.314 -2.508 79 H LEU 17 H LEU 17 5.053 7.774 -3.596 80 HA LEU 17 HA LEU 17 4.417 9.495 -1.309 81 HB2 LEU 17 1HB LEU 17 2.490 9.219 -3.584 82 HB3 LEU 17 2HB LEU 17 2.511 10.414 -2.289 83 HG LEU 17 HG LEU 17 4.651 10.342 -4.395 84 HD11 LEU 17 1HD1 LEU 17 3.002 12.396 -5.120 85 HD12 LEU 17 2HD1 LEU 17 1.853 11.133 -4.678 86 HD13 LEU 17 3HD1 LEU 17 3.077 10.820 -5.908 87 HD21 LEU 17 1HD2 LEU 17 5.320 11.719 -2.652 88 HD22 LEU 17 2HD2 LEU 17 3.681 12.293 -2.341 89 HD23 LEU 17 3HD2 LEU 17 4.553 12.847 -3.770 90 H CYS 18 H CYS 18 3.162 8.550 0.194 91 HA CYS 18 HA CYS 18 2.833 5.911 0.525 92 HB2 CYS 18 1HB CYS 18 2.204 7.584 2.216 93 HB3 CYS 18 2HB CYS 18 0.763 7.982 1.287 94 H ALA 19 H ALA 19 1.392 4.292 0.005 95 HA ALA 19 HA ALA 19 -0.178 4.763 -2.407 96 HB1 ALA 19 1HB ALA 19 1.351 2.590 -1.404 97 HB2 ALA 19 2HB ALA 19 -0.317 2.050 -1.600 98 HB3 ALA 19 3HB ALA 19 0.550 2.747 -2.968 99 H LEU 20 H LEU 20 -0.603 4.248 0.972 100 HA LEU 20 HA LEU 20 -3.261 3.229 0.884 101 HB2 LEU 20 1HB LEU 20 -1.407 4.242 2.944 102 HB3 LEU 20 2HB LEU 20 -3.124 4.372 3.318 103 HG LEU 20 HG LEU 20 -2.007 2.330 4.218 104 HD11 LEU 20 1HD1 LEU 20 -3.781 0.758 3.083 105 HD12 LEU 20 2HD1 LEU 20 -4.377 2.279 2.419 106 HD13 LEU 20 3HD1 LEU 20 -4.277 2.059 4.166 107 HD21 LEU 20 1HD2 LEU 20 -0.469 1.843 2.441 108 HD22 LEU 20 2HD2 LEU 20 -1.790 1.652 1.288 109 HD23 LEU 20 3HD2 LEU 20 -1.590 0.491 2.601 110 H CYS 21 H CYS 21 -1.964 6.457 1.669 111 HA CYS 21 HA CYS 21 -4.639 7.583 1.266 112 HB2 CYS 21 1HB CYS 21 -3.613 9.657 2.253 113 HB3 CYS 21 2HB CYS 21 -3.640 8.266 3.332 114 H GLY 22 H GLY 22 -1.260 8.198 0.309 115 HA2 GLY 22 1HA GLY 22 -0.741 8.537 -2.037 116 HA3 GLY 22 2HA GLY 22 -2.302 9.326 -2.211 117 H GLU 23 H GLU 23 0.124 9.821 0.320 118 HA GLU 23 HA GLU 23 0.417 12.594 -0.634 119 HB2 GLU 23 1HB GLU 23 0.354 11.554 2.202 120 HB3 GLU 23 2HB GLU 23 0.817 13.194 1.768 121 HG2 GLU 23 1HG GLU 23 -1.842 12.002 1.044 122 HG3 GLU 23 2HG GLU 23 -1.553 12.874 2.548 123 H HIS 24 H HIS 24 2.463 13.603 0.499 124 HA HIS 24 HA HIS 24 4.713 12.379 -0.606 125 HB2 HIS 24 1HB HIS 24 4.231 14.837 0.351 126 HB3 HIS 24 2HB HIS 24 5.123 14.182 1.720 127 HD1 HIS 24 1HD HIS 24 5.632 15.864 -1.404 128 HD2 HIS 24 2HD HIS 24 7.744 13.057 0.814 129 HE1 HIS 24 1HE HIS 24 7.990 15.958 -2.272 130 H LEU 25 H LEU 25 6.578 11.452 0.411 131 HA LEU 25 HA LEU 25 5.964 10.082 2.947 132 HB2 LEU 25 1HB LEU 25 7.211 9.076 0.425 133 HB3 LEU 25 2HB LEU 25 7.636 8.339 1.968 134 HG LEU 25 HG LEU 25 4.768 8.573 1.134 135 HD11 LEU 25 1HD1 LEU 25 5.451 7.440 -0.734 136 HD12 LEU 25 2HD1 LEU 25 5.213 6.098 0.384 137 HD13 LEU 25 3HD1 LEU 25 6.837 6.712 0.077 138 HD21 LEU 25 1HD2 LEU 25 6.136 6.424 2.727 139 HD22 LEU 25 2HD2 LEU 25 4.419 6.821 2.660 140 HD23 LEU 25 3HD2 LEU 25 5.546 7.912 3.467 141 H TYR 26 H TYR 26 7.732 9.656 4.351 142 HA TYR 26 HA TYR 26 9.948 11.553 3.994 143 HB2 TYR 26 1HB TYR 26 8.293 11.441 6.076 144 HB3 TYR 26 2HB TYR 26 9.442 10.220 6.612 145 HD1 TYR 26 1HD TYR 26 9.253 13.741 5.411 146 HD2 TYR 26 2HD TYR 26 11.413 10.862 7.680 147 HE1 TYR 26 1HE TYR 26 10.744 15.516 6.231 148 HE2 TYR 26 2HE TYR 26 12.910 12.630 8.507 149 HH TYR 26 HH TYR 26 13.616 15.079 7.465 150 H VAL 27 H VAL 27 12.040 10.901 4.018 151 HA VAL 27 HA VAL 27 12.828 8.438 3.169 152 HB VAL 27 HB VAL 27 15.079 8.933 4.168 153 HG11 VAL 27 1HG1 VAL 27 14.605 9.702 1.958 154 HG12 VAL 27 2HG1 VAL 27 13.680 11.073 2.574 155 HG13 VAL 27 3HG1 VAL 27 15.426 11.006 2.814 156 HG21 VAL 27 1HG2 VAL 27 14.031 10.175 6.139 157 HG22 VAL 27 2HG2 VAL 27 15.478 10.879 5.417 158 HG23 VAL 27 3HG2 VAL 27 13.890 11.549 5.041 159 H LEU 28 H LEU 28 11.877 9.321 6.367 160 HA LEU 28 HA LEU 28 12.865 6.772 7.439 161 HB2 LEU 28 1HB LEU 28 11.902 9.284 8.789 162 HB3 LEU 28 2HB LEU 28 12.241 7.787 9.655 163 HG LEU 28 HG LEU 28 14.306 9.242 8.015 164 HD11 LEU 28 1HD1 LEU 28 14.910 9.574 10.704 165 HD12 LEU 28 2HD1 LEU 28 13.187 9.933 10.588 166 HD13 LEU 28 3HD1 LEU 28 14.340 10.813 9.585 167 HD21 LEU 28 1HD2 LEU 28 15.747 7.655 8.665 168 HD22 LEU 28 2HD2 LEU 28 14.304 6.694 8.991 169 HD23 LEU 28 3HD2 LEU 28 15.085 7.585 10.299 170 H GLU 29 H GLU 29 9.984 8.832 7.895 171 HA GLU 29 HA GLU 29 8.261 7.021 8.962 172 HB2 GLU 29 1HB GLU 29 7.533 9.042 6.835 173 HB3 GLU 29 2HB GLU 29 6.427 8.309 7.988 174 HG2 GLU 29 1HG GLU 29 8.781 9.764 9.053 175 HG3 GLU 29 2HG GLU 29 7.460 10.707 8.364 176 H ARG 30 H ARG 30 8.831 7.517 5.486 177 HA ARG 30 HA ARG 30 7.047 5.752 4.403 178 HB2 ARG 30 1HB ARG 30 8.393 5.692 2.472 179 HB3 ARG 30 2HB ARG 30 8.739 7.248 3.214 180 HG2 ARG 30 1HG ARG 30 10.711 5.977 4.332 181 HG3 ARG 30 2HG ARG 30 10.456 4.818 3.026 182 HD2 ARG 30 1HD ARG 30 10.981 7.770 2.699 183 HD3 ARG 30 2HD ARG 30 12.151 6.478 2.434 184 HE ARG 30 HE ARG 30 10.200 5.780 0.751 185 HH11 ARG 30 2HH1 ARG 30 11.743 8.847 1.326 186 HH12 ARG 30 1HH1 ARG 30 11.525 9.409 -0.298 187 HH21 ARG 30 2HH2 ARG 30 9.907 6.508 -1.390 188 HH22 ARG 30 1HH2 ARG 30 10.480 8.078 -1.842 189 H LEU 31 H LEU 31 7.101 3.558 3.790 190 HA LEU 31 HA LEU 31 9.025 1.899 5.282 191 HB2 LEU 31 1HB LEU 31 6.071 1.816 5.198 192 HB3 LEU 31 2HB LEU 31 6.903 0.263 5.146 193 HG LEU 31 HG LEU 31 8.134 1.108 7.254 194 HD11 LEU 31 1HD1 LEU 31 6.513 3.350 6.715 195 HD12 LEU 31 2HD1 LEU 31 7.576 3.079 8.095 196 HD13 LEU 31 3HD1 LEU 31 5.883 2.595 8.179 197 HD21 LEU 31 1HD2 LEU 31 5.526 -0.123 6.871 198 HD22 LEU 31 2HD2 LEU 31 5.694 0.652 8.446 199 HD23 LEU 31 3HD2 LEU 31 6.850 -0.581 7.943 200 H CYS 32 H CYS 32 10.346 1.190 3.710 201 HA CYS 32 HA CYS 32 9.536 0.649 1.051 202 HB2 CYS 32 1HB CYS 32 11.783 -0.430 0.848 203 HB3 CYS 32 2HB CYS 32 11.835 1.205 1.496 204 HG CYS 32 HG CYS 32 11.648 -1.124 3.875 205 H VAL 33 H VAL 33 7.837 -0.789 0.997 206 HA VAL 33 HA VAL 33 8.459 -3.535 1.874 207 HB VAL 33 HB VAL 33 5.739 -2.223 1.764 208 HG11 VAL 33 1HG1 VAL 33 5.826 -4.714 3.181 209 HG12 VAL 33 2HG1 VAL 33 4.829 -4.248 1.802 210 HG13 VAL 33 3HG1 VAL 33 6.432 -4.935 1.541 211 HG21 VAL 33 1HG2 VAL 33 7.601 -1.888 3.699 212 HG22 VAL 33 2HG2 VAL 33 5.861 -1.842 3.982 213 HG23 VAL 33 3HG2 VAL 33 6.766 -3.324 4.291 214 H ASN 34 H ASN 34 9.094 -4.515 0.037 215 HA ASN 34 HA ASN 34 8.972 -5.479 -2.019 216 HB2 ASN 34 1HB ASN 34 6.047 -4.752 -1.760 217 HB3 ASN 34 2HB ASN 34 6.710 -5.779 -3.027 218 HD21 ASN 34 1HD2 ASN 34 6.263 -7.816 -2.651 219 HD22 ASN 34 2HD2 ASN 34 6.298 -8.604 -1.114 220 H GLY 35 H GLY 35 9.450 -2.565 -1.658 221 HA2 GLY 35 1HA GLY 35 10.252 -1.139 -3.391 222 HA3 GLY 35 2HA GLY 35 9.049 -1.826 -4.472 223 H HIS 36 H HIS 36 6.874 -1.576 -2.549 224 HA HIS 36 HA HIS 36 6.218 1.188 -3.089 225 HB2 HIS 36 1HB HIS 36 4.566 -0.906 -1.665 226 HB3 HIS 36 2HB HIS 36 3.987 0.618 -2.330 227 HD1 HIS 36 1HD HIS 36 4.804 0.698 -5.118 228 HD2 HIS 36 2HD HIS 36 3.816 -2.906 -3.301 229 HE1 HIS 36 1HE HIS 36 4.209 -0.862 -6.998 230 H PHE 37 H PHE 37 5.669 2.747 -1.546 231 HA PHE 37 HA PHE 37 6.793 2.239 1.126 232 HB2 PHE 37 1HB PHE 37 6.527 4.801 -0.454 233 HB3 PHE 37 2HB PHE 37 7.010 4.750 1.238 234 HD1 PHE 37 2HD PHE 37 9.128 3.590 1.869 235 HD2 PHE 37 1HD PHE 37 8.060 4.349 -2.180 236 HE1 PHE 37 2HE PHE 37 11.467 3.244 1.191 237 HE2 PHE 37 1HE PHE 37 10.398 4.003 -2.865 238 HZ PHE 37 HZ PHE 37 12.105 3.451 -1.179 239 H PHE 38 H PHE 38 5.650 2.774 2.952 240 HA PHE 38 HA PHE 38 2.966 3.901 2.617 241 HB2 PHE 38 1HB PHE 38 3.505 1.421 4.260 242 HB3 PHE 38 2HB PHE 38 1.944 2.181 3.970 243 HD1 PHE 38 2HD PHE 38 1.199 2.334 1.486 244 HD2 PHE 38 1HD PHE 38 4.186 -0.333 2.929 245 HE1 PHE 38 2HE PHE 38 0.869 0.903 -0.488 246 HE2 PHE 38 1HE PHE 38 3.862 -1.768 0.957 247 HZ PHE 38 HZ PHE 38 2.201 -1.152 -0.754 248 H HIS 39 H HIS 39 2.188 5.041 4.380 249 HA HIS 39 HA HIS 39 4.128 6.181 6.098 250 HB2 HIS 39 1HB HIS 39 1.134 6.354 5.922 251 HB3 HIS 39 2HB HIS 39 1.999 7.112 7.256 252 HD2 HIS 39 2HD HIS 39 4.505 8.252 5.309 253 HE1 HIS 39 1HE HIS 39 1.346 10.439 3.511 254 HE2 HIS 39 2HE HIS 39 3.843 10.198 3.739 255 H ARG 40 H ARG 40 4.621 5.815 8.208 256 HA ARG 40 HA ARG 40 4.403 3.300 9.303 257 HB2 ARG 40 1HB ARG 40 5.051 5.991 10.377 258 HB3 ARG 40 2HB ARG 40 4.669 4.740 11.553 259 HG2 ARG 40 1HG ARG 40 6.730 4.369 9.399 260 HG3 ARG 40 2HG ARG 40 7.106 5.042 10.986 261 HD2 ARG 40 1HD ARG 40 5.607 2.479 10.873 262 HD3 ARG 40 2HD ARG 40 7.323 2.452 10.471 263 HE ARG 40 HE ARG 40 7.338 3.784 12.786 264 HH11 ARG 40 2HH1 ARG 40 5.739 0.840 11.840 265 HH12 ARG 40 1HH1 ARG 40 5.783 0.152 13.429 266 HH21 ARG 40 2HH2 ARG 40 7.402 2.889 14.883 267 HH22 ARG 40 1HH2 ARG 40 6.728 1.318 15.159 268 H SER 41 H SER 41 2.109 5.905 9.372 269 HA SER 41 HA SER 41 0.506 4.724 11.470 270 HB2 SER 41 1HB SER 41 0.068 7.108 9.662 271 HB3 SER 41 2HB SER 41 -1.092 6.587 10.884 272 HG SER 41 HG SER 41 0.072 7.597 12.295 273 H CYS 42 H CYS 42 0.019 5.435 8.010 274 HA CYS 42 HA CYS 42 -2.422 4.160 7.689 275 HB2 CYS 42 1HB CYS 42 -0.156 4.448 5.706 276 HB3 CYS 42 2HB CYS 42 -1.795 3.963 5.285 277 H PHE 43 H PHE 43 0.822 2.818 7.069 278 HA PHE 43 HA PHE 43 0.214 0.291 6.274 279 HB2 PHE 43 1HB PHE 43 2.517 1.338 6.660 280 HB3 PHE 43 2HB PHE 43 2.364 0.791 8.327 281 HD1 PHE 43 2HD PHE 43 1.498 -0.812 5.074 282 HD2 PHE 43 1HD PHE 43 3.786 -0.982 8.659 283 HE1 PHE 43 2HE PHE 43 2.351 -3.025 4.421 284 HE2 PHE 43 1HE PHE 43 4.643 -3.195 8.011 285 HZ PHE 43 HZ PHE 43 3.925 -4.220 5.890 286 H ARG 44 H ARG 44 -1.650 -0.548 7.180 287 HA ARG 44 HA ARG 44 -1.300 -1.716 9.833 288 HB2 ARG 44 1HB ARG 44 -3.661 -0.018 9.018 289 HB3 ARG 44 2HB ARG 44 -3.670 -1.091 10.411 290 HG2 ARG 44 1HG ARG 44 -2.036 0.184 11.532 291 HG3 ARG 44 2HG ARG 44 -1.637 1.091 10.072 292 HD2 ARG 44 1HD ARG 44 -3.936 2.035 10.101 293 HD3 ARG 44 2HD ARG 44 -4.210 1.217 11.639 294 HE ARG 44 HE ARG 44 -1.890 2.890 11.676 295 HH11 ARG 44 2HH1 ARG 44 -5.357 2.856 11.987 296 HH12 ARG 44 1HH1 ARG 44 -5.414 4.287 12.962 297 HH21 ARG 44 2HH2 ARG 44 -1.951 4.775 12.959 298 HH22 ARG 44 1HH2 ARG 44 -3.476 5.379 13.513 299 H CYS 45 H CYS 45 -3.160 -3.288 10.291 300 HA CYS 45 HA CYS 45 -3.207 -5.252 8.308 301 HB2 CYS 45 1HB CYS 45 -3.609 -5.593 10.770 302 HB3 CYS 45 2HB CYS 45 -5.230 -4.949 10.532 303 H HIS 46 H HIS 46 -5.203 -6.194 7.316 304 HA HIS 46 HA HIS 46 -6.805 -4.029 6.149 305 HB2 HIS 46 1HB HIS 46 -5.634 -5.304 4.487 306 HB3 HIS 46 2HB HIS 46 -6.188 -6.824 5.182 307 HD1 HIS 46 1HD HIS 46 -7.108 -4.213 2.767 308 HD2 HIS 46 2HD HIS 46 -8.985 -7.356 4.731 309 HE1 HIS 46 1HE HIS 46 -9.258 -4.596 1.521 310 H THR 47 H THR 47 -7.034 -6.231 8.562 311 HA THR 47 HA THR 47 -9.947 -6.518 8.210 312 HB THR 47 HB THR 47 -7.956 -8.432 9.404 313 HG1 THR 47 1HG THR 47 -8.502 -8.690 7.199 314 HG21 THR 47 1HG2 THR 47 -10.954 -8.510 9.765 315 HG22 THR 47 2HG2 THR 47 -9.782 -8.144 11.030 316 HG23 THR 47 3HG2 THR 47 -9.809 -9.743 10.289 317 H CYS 48 H CYS 48 -7.303 -5.895 10.446 318 HA CYS 48 HA CYS 48 -9.270 -4.868 12.388 319 HB2 CYS 48 1HB CYS 48 -7.564 -5.352 14.142 320 HB3 CYS 48 2HB CYS 48 -8.161 -6.795 13.328 321 H GLU 49 H GLU 49 -6.985 -3.986 10.185 322 HA GLU 49 HA GLU 49 -5.679 -2.145 9.835 323 HB2 GLU 49 1HB GLU 49 -7.806 -0.847 11.548 324 HB3 GLU 49 2HB GLU 49 -6.718 -0.015 10.445 325 HG2 GLU 49 1HG GLU 49 -7.768 -0.907 8.554 326 HG3 GLU 49 2HG GLU 49 -8.595 -2.148 9.494 327 H ALA 50 H ALA 50 -4.479 -3.621 11.692 328 HA ALA 50 HA ALA 50 -3.810 -1.839 13.928 329 HB1 ALA 50 1HB ALA 50 -2.521 -4.016 14.637 330 HB2 ALA 50 2HB ALA 50 -4.261 -3.869 14.888 331 HB3 ALA 50 3HB ALA 50 -3.643 -4.783 13.512 332 H THR 51 H THR 51 -1.882 -0.865 14.070 333 HA THR 51 HA THR 51 -0.195 -0.399 12.012 334 HB THR 51 HB THR 51 0.778 -0.695 14.858 335 HG1 THR 51 1HG THR 51 -0.135 1.729 13.742 336 HG21 THR 51 1HG2 THR 51 2.518 0.765 14.292 337 HG22 THR 51 2HG2 THR 51 1.718 1.290 12.810 338 HG23 THR 51 3HG2 THR 51 2.417 -0.326 12.910 339 H LEU 52 H LEU 52 0.482 -2.002 10.685 340 HA LEU 52 HA LEU 52 1.437 -4.521 11.616 341 HB2 LEU 52 1HB LEU 52 1.763 -3.214 8.919 342 HB3 LEU 52 2HB LEU 52 2.063 -4.912 9.285 343 HG LEU 52 HG LEU 52 -0.628 -3.560 9.476 344 HD11 LEU 52 1HD1 LEU 52 0.346 -3.748 7.158 345 HD12 LEU 52 2HD1 LEU 52 -1.196 -4.564 7.413 346 HD13 LEU 52 3HD1 LEU 52 0.299 -5.498 7.372 347 HD21 LEU 52 1HD2 LEU 52 -1.464 -5.491 10.259 348 HD22 LEU 52 2HD2 LEU 52 0.199 -5.809 10.754 349 HD23 LEU 52 3HD2 LEU 52 -0.415 -6.478 9.241 350 H TRP 53 H TRP 53 3.186 -4.389 12.935 351 HA TRP 53 HA TRP 53 5.362 -2.631 12.581 352 HB2 TRP 53 1HB TRP 53 5.541 -5.283 14.001 353 HB3 TRP 53 2HB TRP 53 6.413 -3.794 14.352 354 HD1 TRP 53 HD TRP 53 3.001 -5.455 14.860 355 HE1 TRP 53 1HE TRP 53 1.731 -4.175 16.696 356 HE3 TRP 53 3HE TRP 53 6.205 -1.519 15.471 357 HZ2 TRP 53 2HZ TRP 53 2.045 -1.810 18.204 358 HZ3 TRP 53 3HZ TRP 53 5.647 0.210 17.131 359 HH2 TRP 53 HH TRP 53 3.609 0.066 18.468 360 HA PRO 54 HA PRO 54 7.841 -4.543 9.505 361 HB2 PRO 54 1HB PRO 54 10.339 -3.965 10.397 362 HB3 PRO 54 2HB PRO 54 9.262 -2.749 9.701 363 HG2 PRO 54 1HG PRO 54 9.833 -3.348 12.578 364 HG3 PRO 54 2HG PRO 54 9.688 -1.776 11.770 365 HD2 PRO 54 1HD PRO 54 7.681 -2.852 13.235 366 HD3 PRO 54 2HD PRO 54 7.384 -1.822 11.820 367 H GLY 55 H GLY 55 7.294 -5.970 12.308 368 HA2 GLY 55 1HA GLY 55 8.937 -8.283 11.621 369 HA3 GLY 55 2HA GLY 55 9.175 -7.599 13.223 370 H GLY 56 H GLY 56 6.094 -7.773 11.522 371 HA2 GLY 56 1HA GLY 56 5.190 -10.146 12.809 372 HA3 GLY 56 2HA GLY 56 4.630 -8.720 13.669 373 H TYR 57 H TYR 57 5.008 -9.433 10.201 374 HA TYR 57 HA TYR 57 2.157 -9.473 9.792 375 HB2 TYR 57 1HB TYR 57 1.864 -7.480 8.647 376 HB3 TYR 57 2HB TYR 57 2.987 -6.992 9.911 377 HD1 TYR 57 2HD TYR 57 5.430 -6.775 9.350 378 HD2 TYR 57 1HD TYR 57 2.447 -7.307 6.363 379 HE1 TYR 57 2HE TYR 57 7.000 -5.952 7.645 380 HE2 TYR 57 1HE TYR 57 4.009 -6.486 4.649 381 HH TYR 57 HH TYR 57 7.181 -6.350 4.967 382 H GLU 58 H GLU 58 1.591 -9.882 7.524 383 HA GLU 58 HA GLU 58 3.782 -10.763 5.813 384 HB2 GLU 58 1HB GLU 58 1.748 -12.554 7.065 385 HB3 GLU 58 2HB GLU 58 2.276 -12.903 5.425 386 HG2 GLU 58 1HG GLU 58 4.272 -12.473 7.607 387 HG3 GLU 58 2HG GLU 58 3.478 -14.033 7.403 388 H GLN 59 H GLN 59 3.082 -11.244 3.610 389 HA GLN 59 HA GLN 59 0.631 -9.766 2.915 390 HB2 GLN 59 1HB GLN 59 2.666 -8.655 2.136 391 HB3 GLN 59 2HB GLN 59 3.164 -10.123 1.304 392 HG2 GLN 59 1HG GLN 59 0.973 -9.905 0.004 393 HG3 GLN 59 2HG GLN 59 0.919 -8.259 0.633 394 HE21 GLN 59 1HE2 GLN 59 0.954 -7.986 -1.810 395 HE22 GLN 59 2HE2 GLN 59 2.509 -7.772 -2.530 396 H HIS 60 H HIS 60 -0.900 -11.284 2.633 397 HA HIS 60 HA HIS 60 -0.499 -13.902 1.731 398 HB2 HIS 60 1HB HIS 60 -2.552 -12.868 2.898 399 HB3 HIS 60 2HB HIS 60 -3.064 -12.390 1.282 400 HD1 HIS 60 1HD HIS 60 -4.190 -14.136 -0.124 401 HD2 HIS 60 2HD HIS 60 -2.388 -15.732 3.262 402 HE1 HIS 60 1HE HIS 60 -4.936 -16.536 -0.034 403 HA PRO 61 HA PRO 61 0.305 -13.093 -2.570 404 HB2 PRO 61 1HB PRO 61 0.458 -15.696 -3.325 405 HB3 PRO 61 2HB PRO 61 1.762 -14.866 -2.468 406 HG2 PRO 61 1HG PRO 61 -0.343 -16.703 -1.393 407 HG3 PRO 61 2HG PRO 61 1.389 -16.643 -1.016 408 HD2 PRO 61 1HD PRO 61 -0.492 -15.561 0.603 409 HD3 PRO 61 2HD PRO 61 1.139 -14.878 0.445 410 H GLY 62 H GLY 62 -2.223 -15.241 -1.376 411 HA2 GLY 62 1HA GLY 62 -3.635 -15.940 -3.577 412 HA3 GLY 62 2HA GLY 62 -4.415 -15.435 -2.086 413 H ASP 63 H ASP 63 -4.422 -12.933 -1.830 414 HA ASP 63 HA ASP 63 -5.630 -11.886 -4.273 415 HB2 ASP 63 1HB ASP 63 -5.604 -10.691 -1.494 416 HB3 ASP 63 2HB ASP 63 -6.590 -10.162 -2.854 417 H GLY 64 H GLY 64 -3.379 -10.709 -1.761 418 HA2 GLY 64 1HA GLY 64 -1.193 -9.887 -2.661 419 HA3 GLY 64 2HA GLY 64 -2.151 -9.004 -3.840 420 H HIS 65 H HIS 65 -2.769 -9.396 -0.377 421 HA HIS 65 HA HIS 65 -2.389 -6.489 -0.069 422 HB2 HIS 65 1HB HIS 65 -4.542 -8.278 1.049 423 HB3 HIS 65 2HB HIS 65 -4.181 -6.702 1.749 424 HD1 HIS 65 1HD HIS 65 -5.111 -4.670 0.578 425 HD2 HIS 65 2HD HIS 65 -5.602 -8.165 -1.614 426 HE1 HIS 65 1HE HIS 65 -6.623 -4.057 -1.335 427 H PHE 66 H PHE 66 -2.525 -6.126 2.553 428 HA PHE 66 HA PHE 66 -0.466 -7.913 3.671 429 HB2 PHE 66 1HB PHE 66 -0.779 -4.923 3.940 430 HB3 PHE 66 2HB PHE 66 0.265 -5.872 4.993 431 HD1 PHE 66 1HD PHE 66 2.206 -7.088 4.021 432 HD2 PHE 66 2HD PHE 66 -0.108 -4.321 1.761 433 HE1 PHE 66 1HE PHE 66 4.023 -6.921 2.371 434 HE2 PHE 66 2HE PHE 66 1.705 -4.151 0.108 435 HZ PHE 66 HZ PHE 66 3.774 -5.452 0.411 436 H TYR 67 H TYR 67 -1.128 -9.027 5.373 437 HA TYR 67 HA TYR 67 -3.131 -7.821 7.162 438 HB2 TYR 67 1HB TYR 67 -3.029 -10.761 6.481 439 HB3 TYR 67 2HB TYR 67 -4.275 -9.911 7.388 440 HD1 TYR 67 2HD TYR 67 -2.801 -10.341 4.021 441 HD2 TYR 67 1HD TYR 67 -6.083 -8.851 6.282 442 HE1 TYR 67 2HE TYR 67 -4.070 -9.998 1.943 443 HE2 TYR 67 1HE TYR 67 -7.362 -8.505 4.210 444 HH TYR 67 HH TYR 67 -7.179 -8.370 1.934 445 H CYS 68 H CYS 68 -3.130 -8.724 9.351 446 HA CYS 68 HA CYS 68 -0.489 -8.890 10.393 447 HB2 CYS 68 1HB CYS 68 -1.578 -9.155 12.569 448 HB3 CYS 68 2HB CYS 68 -2.331 -7.857 11.649 449 H LEU 69 H LEU 69 0.062 -10.664 12.033 450 HA LEU 69 HA LEU 69 0.025 -13.174 10.624 451 HB2 LEU 69 1HB LEU 69 1.134 -12.636 13.368 452 HB3 LEU 69 2HB LEU 69 1.569 -13.941 12.266 453 HG LEU 69 HG LEU 69 2.235 -11.015 11.971 454 HD11 LEU 69 1HD1 LEU 69 4.561 -11.889 12.070 455 HD12 LEU 69 2HD1 LEU 69 3.902 -13.471 12.486 456 HD13 LEU 69 3HD1 LEU 69 3.652 -12.100 13.567 457 HD21 LEU 69 1HD2 LEU 69 3.097 -13.219 10.123 458 HD22 LEU 69 2HD2 LEU 69 3.219 -11.475 9.892 459 HD23 LEU 69 3HD2 LEU 69 1.643 -12.265 9.828 460 H GLN 70 H GLN 70 -2.408 -11.924 12.059 461 HA GLN 70 HA GLN 70 -3.185 -14.385 13.477 462 HB2 GLN 70 1HB GLN 70 -2.882 -12.561 15.079 463 HB3 GLN 70 2HB GLN 70 -3.985 -11.550 14.156 464 HG2 GLN 70 1HG GLN 70 -5.295 -12.322 15.897 465 HG3 GLN 70 2HG GLN 70 -5.708 -13.406 14.568 466 HE21 GLN 70 1HE2 GLN 70 -6.462 -14.767 16.350 467 HE22 GLN 70 2HE2 GLN 70 -5.328 -15.809 17.133 468 H HIS 71 H HIS 71 -3.909 -12.038 11.089 469 HA HIS 71 HA HIS 71 -6.583 -13.211 10.696 470 HB2 HIS 71 1HB HIS 71 -5.495 -10.467 10.131 471 HB3 HIS 71 2HB HIS 71 -6.905 -11.069 9.265 472 HD2 HIS 71 2HD HIS 71 -7.435 -12.457 12.624 473 HE1 HIS 71 1HE HIS 71 -8.994 -8.520 12.882 474 HE2 HIS 71 2HE HIS 71 -8.815 -10.764 14.010 475 H LEU 72 H LEU 72 -3.461 -12.744 9.345 476 HA LEU 72 HA LEU 72 -3.797 -12.827 6.641 477 HB2 LEU 72 1HB LEU 72 -1.631 -12.786 7.868 478 HB3 LEU 72 2HB LEU 72 -1.814 -14.514 8.160 479 HG LEU 72 HG LEU 72 -1.985 -14.555 5.507 480 HD11 LEU 72 1HD1 LEU 72 -0.434 -12.057 6.145 481 HD12 LEU 72 2HD1 LEU 72 -1.832 -12.227 5.083 482 HD13 LEU 72 3HD1 LEU 72 -0.282 -12.932 4.622 483 HD21 LEU 72 1HD2 LEU 72 0.758 -14.224 6.626 484 HD22 LEU 72 2HD2 LEU 72 0.132 -15.442 5.514 485 HD23 LEU 72 3HD2 LEU 72 -0.266 -15.527 7.231 486 HA PRO 73 HA PRO 73 -6.210 -16.552 6.127 487 HB2 PRO 73 1HB PRO 73 -6.495 -16.302 3.439 488 HB3 PRO 73 2HB PRO 73 -7.446 -15.365 4.598 489 HG2 PRO 73 1HG PRO 73 -5.008 -14.561 3.056 490 HG3 PRO 73 2HG PRO 73 -6.491 -13.639 3.365 491 HD2 PRO 73 1HD PRO 73 -4.210 -13.243 4.769 492 HD3 PRO 73 2HD PRO 73 -5.821 -13.030 5.485 493 H GLN 74 H GLN 74 -6.082 -18.410 4.461 494 HA GLN 74 HA GLN 74 -3.407 -18.901 3.439 495 HB2 GLN 74 1HB GLN 74 -4.557 -20.264 5.814 496 HB3 GLN 74 2HB GLN 74 -3.699 -21.270 4.655 497 HG2 GLN 74 1HG GLN 74 -2.593 -18.857 6.074 498 HG3 GLN 74 2HG GLN 74 -2.228 -20.543 6.438 499 HE21 GLN 74 1HE2 GLN 74 -1.743 -17.914 4.222 500 HE22 GLN 74 2HE2 GLN 74 -0.432 -18.623 3.348 501 H THR 75 H THR 75 -3.743 -19.570 1.435 502 HA THR 75 HA THR 75 -6.213 -20.604 0.512 503 HB THR 75 HB THR 75 -4.649 -19.370 -0.951 504 HG1 THR 75 1HG THR 75 -4.660 -21.372 -2.577 505 HG21 THR 75 1HG2 THR 75 -2.795 -20.913 -1.953 506 HG22 THR 75 2HG2 THR 75 -2.932 -21.759 -0.411 507 HG23 THR 75 3HG2 THR 75 -2.497 -20.050 -0.444 508 H ASP 76 H ASP 76 -6.446 -22.698 -0.636 509 HA ASP 76 HA ASP 76 -5.527 -24.842 1.075 510 HB2 ASP 76 1HB ASP 76 -7.538 -24.590 -1.127 511 HB3 ASP 76 2HB ASP 76 -6.951 -26.190 -0.681 512 H SER 77 H SER 77 -5.279 -23.981 -2.363 513 HA SER 77 HA SER 77 -3.059 -25.905 -2.599 514 HB2 SER 77 1HB SER 77 -5.214 -26.150 -4.041 515 HB3 SER 77 2HB SER 77 -4.549 -24.804 -4.966 516 HG SER 77 HG SER 77 -2.750 -26.815 -4.441 517 H GLY 78 H GLY 78 -1.103 -25.222 -3.318 518 HA2 GLY 78 1HA GLY 78 0.321 -23.729 -4.531 519 HA3 GLY 78 2HA GLY 78 -0.872 -22.460 -4.300 520 HA PRO 79 HA PRO 79 1.306 -22.913 -0.017 521 HB2 PRO 79 1HB PRO 79 3.375 -24.664 0.144 522 HB3 PRO 79 2HB PRO 79 1.700 -25.123 0.472 523 HG2 PRO 79 1HG PRO 79 3.321 -25.521 -2.013 524 HG3 PRO 79 2HG PRO 79 2.218 -26.649 -1.204 525 HD2 PRO 79 1HD PRO 79 1.500 -25.228 -3.394 526 HD3 PRO 79 2HD PRO 79 0.344 -25.672 -2.122 527 H SER 80 H SER 80 2.942 -21.581 0.671 528 HA SER 80 HA SER 80 4.223 -19.854 -0.911 529 HB2 SER 80 1HB SER 80 5.519 -21.065 1.543 530 HB3 SER 80 2HB SER 80 5.871 -19.483 0.846 531 HG SER 80 HG SER 80 4.421 -19.354 2.619 532 H SER 81 H SER 81 5.617 -19.951 -2.532 533 HA SER 81 HA SER 81 7.604 -22.124 -2.564 534 HB2 SER 81 1HB SER 81 7.270 -22.503 -4.890 535 HB3 SER 81 2HB SER 81 5.659 -22.463 -4.175 536 HG SER 81 HG SER 81 5.306 -21.014 -5.660 537 H GLY 82 H GLY 82 9.270 -21.585 -4.435 538 HA2 GLY 82 1HA GLY 82 9.952 -19.157 -5.374 539 HA3 GLY 82 2HA GLY 82 10.418 -19.032 -3.684 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -17.916 13.828 -32.127 2 HA2 GLY 1 1HA GLY 1 -16.606 15.664 -31.667 3 HA3 GLY 1 2HA GLY 1 -18.065 16.499 -31.155 4 H SER 2 H SER 2 -18.675 16.464 -28.986 5 HA SER 2 HA SER 2 -18.182 16.681 -26.763 6 HB2 SER 2 1HB SER 2 -17.324 13.835 -27.314 7 HB3 SER 2 2HB SER 2 -17.465 14.511 -25.692 8 HG SER 2 HG SER 2 -19.554 14.351 -27.609 9 H SER 3 H SER 3 -16.214 17.831 -28.342 10 HA SER 3 HA SER 3 -13.637 16.977 -27.299 11 HB2 SER 3 1HB SER 3 -13.559 17.603 -29.587 12 HB3 SER 3 2HB SER 3 -14.476 19.080 -29.293 13 HG SER 3 HG SER 3 -12.698 20.064 -28.746 14 H GLY 4 H GLY 4 -12.317 18.199 -25.959 15 HA2 GLY 4 1HA GLY 4 -12.146 20.600 -25.031 16 HA3 GLY 4 2HA GLY 4 -13.750 20.248 -24.405 17 H SER 5 H SER 5 -10.480 20.191 -23.736 18 HA SER 5 HA SER 5 -10.847 19.150 -21.136 19 HB2 SER 5 1HB SER 5 -9.729 17.055 -21.241 20 HB3 SER 5 2HB SER 5 -10.899 17.034 -22.561 21 HG SER 5 HG SER 5 -9.101 17.759 -23.914 22 H SER 6 H SER 6 -9.521 20.420 -20.039 23 HA SER 6 HA SER 6 -6.799 20.851 -21.076 24 HB2 SER 6 1HB SER 6 -8.759 22.869 -20.018 25 HB3 SER 6 2HB SER 6 -7.024 23.157 -19.890 26 HG SER 6 HG SER 6 -8.440 23.753 -21.917 27 H GLY 7 H GLY 7 -5.356 21.789 -19.266 28 HA2 GLY 7 1HA GLY 7 -4.801 21.850 -16.947 29 HA3 GLY 7 2HA GLY 7 -6.073 20.675 -16.644 30 H GLN 8 H GLN 8 -2.880 21.077 -18.118 31 HA GLN 8 HA GLN 8 -2.426 18.191 -17.790 32 HB2 GLN 8 1HB GLN 8 -2.058 18.902 -20.052 33 HB3 GLN 8 2HB GLN 8 -1.050 20.243 -19.524 34 HG2 GLN 8 1HG GLN 8 0.498 18.459 -18.552 35 HG3 GLN 8 2HG GLN 8 -0.415 17.317 -19.536 36 HE21 GLN 8 1HE2 GLN 8 1.881 17.098 -20.357 37 HE22 GLN 8 2HE2 GLN 8 2.314 18.090 -21.703 38 H HIS 9 H HIS 9 -1.100 17.494 -16.249 39 HA HIS 9 HA HIS 9 0.985 19.279 -15.225 40 HB2 HIS 9 1HB HIS 9 -0.906 17.750 -13.427 41 HB3 HIS 9 2HB HIS 9 0.410 18.801 -12.914 42 HD1 HIS 9 1HD HIS 9 -0.345 21.044 -12.232 43 HD2 HIS 9 2HD HIS 9 -2.877 19.369 -15.069 44 HE1 HIS 9 1HE HIS 9 -2.190 22.721 -12.560 45 H GLN 10 H GLN 10 2.872 18.263 -15.198 46 HA GLN 10 HA GLN 10 2.993 15.430 -14.514 47 HB2 GLN 10 1HB GLN 10 3.807 16.608 -17.145 48 HB3 GLN 10 2HB GLN 10 4.689 15.230 -16.499 49 HG2 GLN 10 1HG GLN 10 1.721 15.304 -16.993 50 HG3 GLN 10 2HG GLN 10 2.916 14.587 -18.073 51 HE21 GLN 10 1HE2 GLN 10 1.143 14.251 -15.133 52 HE22 GLN 10 2HE2 GLN 10 1.618 12.628 -14.780 53 H GLU 11 H GLU 11 4.271 15.530 -12.776 54 HA GLU 11 HA GLU 11 6.425 17.442 -12.588 55 HB2 GLU 11 1HB GLU 11 6.706 16.684 -10.350 56 HB3 GLU 11 2HB GLU 11 4.974 16.742 -10.649 57 HG2 GLU 11 1HG GLU 11 6.518 14.202 -10.996 58 HG3 GLU 11 2HG GLU 11 5.943 14.717 -9.411 59 H ALA 12 H ALA 12 8.541 16.427 -11.545 60 HA ALA 12 HA ALA 12 9.356 14.133 -13.205 61 HB1 ALA 12 1HB ALA 12 10.221 16.211 -14.172 62 HB2 ALA 12 2HB ALA 12 11.016 16.588 -12.643 63 HB3 ALA 12 3HB ALA 12 11.520 15.178 -13.575 64 H GLY 13 H GLY 13 11.460 13.156 -12.394 65 HA2 GLY 13 1HA GLY 13 12.852 12.451 -10.656 66 HA3 GLY 13 2HA GLY 13 11.972 13.502 -9.556 67 H ALA 14 H ALA 14 11.670 11.986 -7.956 68 HA ALA 14 HA ALA 14 10.008 9.661 -8.675 69 HB1 ALA 14 1HB ALA 14 12.284 9.176 -7.740 70 HB2 ALA 14 2HB ALA 14 11.743 9.906 -6.227 71 HB3 ALA 14 3HB ALA 14 10.942 8.462 -6.845 72 H GLY 15 H GLY 15 8.116 9.302 -7.600 73 HA2 GLY 15 1HA GLY 15 6.736 11.442 -6.471 74 HA3 GLY 15 2HA GLY 15 6.274 9.754 -6.308 75 H ASP 16 H ASP 16 7.803 8.540 -4.693 76 HA ASP 16 HA ASP 16 8.355 8.220 -2.509 77 HB2 ASP 16 1HB ASP 16 9.171 11.120 -2.422 78 HB3 ASP 16 2HB ASP 16 9.843 9.769 -1.513 79 H LEU 17 H LEU 17 5.686 8.755 -2.945 80 HA LEU 17 HA LEU 17 4.974 10.297 -0.538 81 HB2 LEU 17 1HB LEU 17 3.153 9.990 -2.901 82 HB3 LEU 17 2HB LEU 17 3.042 11.138 -1.568 83 HG LEU 17 HG LEU 17 5.130 11.199 -3.747 84 HD11 LEU 17 1HD1 LEU 17 3.890 12.743 -4.877 85 HD12 LEU 17 2HD1 LEU 17 3.029 13.277 -3.434 86 HD13 LEU 17 3HD1 LEU 17 2.592 11.754 -4.208 87 HD21 LEU 17 1HD2 LEU 17 6.236 12.578 -2.407 88 HD22 LEU 17 2HD2 LEU 17 4.980 12.445 -1.176 89 HD23 LEU 17 3HD2 LEU 17 4.853 13.674 -2.436 90 H CYS 18 H CYS 18 3.768 9.274 0.941 91 HA CYS 18 HA CYS 18 3.488 6.669 1.303 92 HB2 CYS 18 1HB CYS 18 2.601 8.472 2.816 93 HB3 CYS 18 2HB CYS 18 1.153 8.518 1.815 94 H ALA 19 H ALA 19 2.725 4.985 0.223 95 HA ALA 19 HA ALA 19 1.022 5.369 -2.076 96 HB1 ALA 19 1HB ALA 19 2.529 3.753 -2.603 97 HB2 ALA 19 2HB ALA 19 2.616 3.138 -0.952 98 HB3 ALA 19 3HB ALA 19 1.243 2.721 -1.977 99 H LEU 20 H LEU 20 0.180 5.554 0.932 100 HA LEU 20 HA LEU 20 -2.176 3.801 0.708 101 HB2 LEU 20 1HB LEU 20 -0.513 4.680 3.001 102 HB3 LEU 20 2HB LEU 20 -2.241 4.480 3.281 103 HG LEU 20 HG LEU 20 -0.764 2.243 1.992 104 HD11 LEU 20 1HD1 LEU 20 0.403 3.292 4.163 105 HD12 LEU 20 2HD1 LEU 20 0.379 1.563 3.817 106 HD13 LEU 20 3HD1 LEU 20 -0.790 2.253 4.943 107 HD21 LEU 20 1HD2 LEU 20 -3.315 2.518 2.644 108 HD22 LEU 20 2HD2 LEU 20 -2.720 1.963 4.209 109 HD23 LEU 20 3HD2 LEU 20 -2.484 0.967 2.772 110 H CYS 21 H CYS 21 -1.116 7.003 1.830 111 HA CYS 21 HA CYS 21 -3.886 7.951 1.567 112 HB2 CYS 21 1HB CYS 21 -3.117 9.898 2.919 113 HB3 CYS 21 2HB CYS 21 -2.961 8.359 3.760 114 H GLY 22 H GLY 22 -0.535 8.866 0.796 115 HA2 GLY 22 1HA GLY 22 -0.033 9.588 -1.474 116 HA3 GLY 22 2HA GLY 22 -1.602 10.379 -1.504 117 H GLU 23 H GLU 23 0.621 10.510 1.211 118 HA GLU 23 HA GLU 23 0.891 13.402 0.743 119 HB2 GLU 23 1HB GLU 23 0.940 11.765 3.272 120 HB3 GLU 23 2HB GLU 23 1.498 13.431 3.222 121 HG2 GLU 23 1HG GLU 23 -0.886 13.781 2.103 122 HG3 GLU 23 2HG GLU 23 -1.246 12.339 3.052 123 H HIS 24 H HIS 24 2.978 14.140 2.170 124 HA HIS 24 HA HIS 24 5.205 13.136 0.676 125 HB2 HIS 24 1HB HIS 24 4.687 15.546 1.707 126 HB3 HIS 24 2HB HIS 24 5.640 14.895 3.037 127 HD1 HIS 24 1HD HIS 24 5.930 16.324 -0.336 128 HD2 HIS 24 2HD HIS 24 8.343 14.215 2.308 129 HE1 HIS 24 1HE HIS 24 8.276 16.603 -1.198 130 H LEU 25 H LEU 25 6.914 11.906 1.355 131 HA LEU 25 HA LEU 25 6.518 10.475 3.885 132 HB2 LEU 25 1HB LEU 25 8.009 9.817 1.364 133 HB3 LEU 25 2HB LEU 25 8.264 8.917 2.858 134 HG LEU 25 HG LEU 25 5.557 9.182 1.571 135 HD11 LEU 25 1HD1 LEU 25 7.742 7.190 1.051 136 HD12 LEU 25 2HD1 LEU 25 6.810 8.133 -0.111 137 HD13 LEU 25 3HD1 LEU 25 6.041 6.816 0.774 138 HD21 LEU 25 1HD2 LEU 25 5.786 6.779 2.925 139 HD22 LEU 25 2HD2 LEU 25 4.953 8.228 3.490 140 HD23 LEU 25 3HD2 LEU 25 6.628 7.934 3.959 141 H TYR 26 H TYR 26 8.578 9.772 4.995 142 HA TYR 26 HA TYR 26 10.699 11.788 4.789 143 HB2 TYR 26 1HB TYR 26 9.095 12.427 6.602 144 HB3 TYR 26 2HB TYR 26 9.483 10.916 7.417 145 HD1 TYR 26 1HD TYR 26 11.235 13.885 5.967 146 HD2 TYR 26 2HD TYR 26 11.098 10.969 9.062 147 HE1 TYR 26 1HE TYR 26 13.141 14.978 7.072 148 HE2 TYR 26 2HE TYR 26 13.003 12.054 10.177 149 HH TYR 26 HH TYR 26 13.987 14.491 10.185 150 H VAL 27 H VAL 27 12.638 11.141 6.136 151 HA VAL 27 HA VAL 27 13.704 8.759 5.293 152 HB VAL 27 HB VAL 27 14.406 10.138 7.888 153 HG11 VAL 27 1HG1 VAL 27 16.726 9.180 7.019 154 HG12 VAL 27 2HG1 VAL 27 15.634 8.226 8.025 155 HG13 VAL 27 3HG1 VAL 27 15.661 7.986 6.278 156 HG21 VAL 27 1HG2 VAL 27 15.466 10.613 5.103 157 HG22 VAL 27 2HG2 VAL 27 14.422 11.705 6.013 158 HG23 VAL 27 3HG2 VAL 27 16.060 11.376 6.579 159 H LEU 28 H LEU 28 12.495 9.371 8.597 160 HA LEU 28 HA LEU 28 12.473 6.545 9.184 161 HB2 LEU 28 1HB LEU 28 11.650 8.984 10.739 162 HB3 LEU 28 2HB LEU 28 11.445 7.346 11.354 163 HG LEU 28 HG LEU 28 14.119 8.480 10.559 164 HD11 LEU 28 1HD1 LEU 28 12.621 9.459 12.616 165 HD12 LEU 28 2HD1 LEU 28 14.382 9.474 12.545 166 HD13 LEU 28 3HD1 LEU 28 13.546 8.185 13.411 167 HD21 LEU 28 1HD2 LEU 28 13.199 5.893 11.282 168 HD22 LEU 28 2HD2 LEU 28 14.217 6.499 12.588 169 HD23 LEU 28 3HD2 LEU 28 14.847 6.421 10.941 170 H GLU 29 H GLU 29 10.131 9.064 8.449 171 HA GLU 29 HA GLU 29 7.867 7.336 8.923 172 HB2 GLU 29 1HB GLU 29 7.744 9.943 7.437 173 HB3 GLU 29 2HB GLU 29 6.515 9.190 8.443 174 HG2 GLU 29 1HG GLU 29 8.151 9.559 10.379 175 HG3 GLU 29 2HG GLU 29 8.981 10.662 9.283 176 H ARG 30 H ARG 30 9.146 5.826 7.304 177 HA ARG 30 HA ARG 30 7.563 5.750 4.920 178 HB2 ARG 30 1HB ARG 30 9.221 6.056 3.278 179 HB3 ARG 30 2HB ARG 30 9.464 7.381 4.409 180 HG2 ARG 30 1HG ARG 30 11.278 6.077 5.476 181 HG3 ARG 30 2HG ARG 30 11.073 4.844 4.231 182 HD2 ARG 30 1HD ARG 30 11.614 6.480 2.507 183 HD3 ARG 30 2HD ARG 30 11.775 7.735 3.734 184 HE ARG 30 HE ARG 30 13.498 5.538 4.268 185 HH11 ARG 30 2HH1 ARG 30 13.130 8.356 2.256 186 HH12 ARG 30 1HH1 ARG 30 14.833 8.565 2.013 187 HH21 ARG 30 2HH2 ARG 30 15.742 5.803 3.955 188 HH22 ARG 30 1HH2 ARG 30 16.317 7.112 2.979 189 H LEU 31 H LEU 31 7.249 3.688 4.352 190 HA LEU 31 HA LEU 31 9.138 1.673 5.381 191 HB2 LEU 31 1HB LEU 31 6.176 1.798 5.374 192 HB3 LEU 31 2HB LEU 31 6.918 0.224 5.096 193 HG LEU 31 HG LEU 31 8.191 0.605 7.261 194 HD11 LEU 31 1HD1 LEU 31 6.552 2.190 8.707 195 HD12 LEU 31 2HD1 LEU 31 6.534 3.031 7.157 196 HD13 LEU 31 3HD1 LEU 31 8.065 2.731 7.980 197 HD21 LEU 31 1HD2 LEU 31 6.433 -0.981 7.234 198 HD22 LEU 31 2HD2 LEU 31 5.200 0.279 7.190 199 HD23 LEU 31 3HD2 LEU 31 6.163 0.037 8.649 200 H CYS 32 H CYS 32 10.352 1.149 3.655 201 HA CYS 32 HA CYS 32 9.384 1.096 0.985 202 HB2 CYS 32 1HB CYS 32 11.571 -0.018 0.488 203 HB3 CYS 32 2HB CYS 32 11.723 1.498 1.367 204 HG CYS 32 HG CYS 32 13.649 -0.112 2.441 205 H VAL 33 H VAL 33 7.776 -0.290 0.518 206 HA VAL 33 HA VAL 33 8.237 -3.141 1.109 207 HB VAL 33 HB VAL 33 5.559 -1.744 1.021 208 HG11 VAL 33 1HG1 VAL 33 5.652 -4.127 0.203 209 HG12 VAL 33 2HG1 VAL 33 6.145 -4.582 1.835 210 HG13 VAL 33 3HG1 VAL 33 4.573 -3.830 1.566 211 HG21 VAL 33 1HG2 VAL 33 6.849 -3.026 3.414 212 HG22 VAL 33 2HG2 VAL 33 7.059 -1.317 3.033 213 HG23 VAL 33 3HG2 VAL 33 5.449 -1.955 3.364 214 H ASN 34 H ASN 34 8.635 -4.207 -0.707 215 HA ASN 34 HA ASN 34 8.673 -4.805 -2.906 216 HB2 ASN 34 1HB ASN 34 5.772 -3.947 -2.789 217 HB3 ASN 34 2HB ASN 34 6.489 -5.029 -3.979 218 HD21 ASN 34 1HD2 ASN 34 4.363 -5.929 -2.666 219 HD22 ASN 34 2HD2 ASN 34 4.805 -7.121 -1.496 220 H GLY 35 H GLY 35 9.381 -2.047 -2.280 221 HA2 GLY 35 1HA GLY 35 10.251 -0.458 -3.803 222 HA3 GLY 35 2HA GLY 35 9.044 -0.960 -4.978 223 H HIS 36 H HIS 36 6.870 -0.812 -2.989 224 HA HIS 36 HA HIS 36 6.367 2.036 -3.254 225 HB2 HIS 36 1HB HIS 36 4.496 0.001 -2.055 226 HB3 HIS 36 2HB HIS 36 4.093 1.543 -2.804 227 HD1 HIS 36 1HD HIS 36 5.243 1.449 -5.502 228 HD2 HIS 36 2HD HIS 36 3.666 -1.952 -3.711 229 HE1 HIS 36 1HE HIS 36 4.682 -0.109 -7.395 230 H PHE 37 H PHE 37 6.446 3.483 -1.652 231 HA PHE 37 HA PHE 37 7.243 2.557 0.994 232 HB2 PHE 37 1HB PHE 37 7.114 5.347 -0.170 233 HB3 PHE 37 2HB PHE 37 7.732 4.945 1.429 234 HD1 PHE 37 1HD PHE 37 8.240 3.953 -2.132 235 HD2 PHE 37 2HD PHE 37 10.000 4.715 1.667 236 HE1 PHE 37 1HE PHE 37 10.473 3.579 -3.096 237 HE2 PHE 37 2HE PHE 37 12.236 4.343 0.710 238 HZ PHE 37 HZ PHE 37 12.474 3.775 -1.675 239 H PHE 38 H PHE 38 6.201 3.219 2.913 240 HA PHE 38 HA PHE 38 3.579 4.469 2.681 241 HB2 PHE 38 1HB PHE 38 3.953 1.763 3.981 242 HB3 PHE 38 2HB PHE 38 2.455 2.687 3.922 243 HD1 PHE 38 1HD PHE 38 4.813 0.651 2.003 244 HD2 PHE 38 2HD PHE 38 1.141 2.802 1.910 245 HE1 PHE 38 1HE PHE 38 4.232 -0.439 -0.125 246 HE2 PHE 38 2HE PHE 38 0.554 1.715 -0.217 247 HZ PHE 38 HZ PHE 38 2.100 0.092 -1.238 248 H HIS 39 H HIS 39 2.762 5.285 4.663 249 HA HIS 39 HA HIS 39 4.758 6.253 6.424 250 HB2 HIS 39 1HB HIS 39 1.768 6.392 6.337 251 HB3 HIS 39 2HB HIS 39 2.613 6.903 7.795 252 HD2 HIS 39 2HD HIS 39 5.107 8.440 6.145 253 HE1 HIS 39 1HE HIS 39 1.924 10.847 4.707 254 HE2 HIS 39 2HE HIS 39 4.422 10.625 4.943 255 H ARG 40 H ARG 40 4.570 6.030 8.845 256 HA ARG 40 HA ARG 40 4.716 3.236 9.511 257 HB2 ARG 40 1HB ARG 40 5.027 5.697 11.241 258 HB3 ARG 40 2HB ARG 40 5.378 4.051 11.751 259 HG2 ARG 40 1HG ARG 40 6.959 4.081 9.654 260 HG3 ARG 40 2HG ARG 40 6.881 5.827 9.902 261 HD2 ARG 40 1HD ARG 40 7.499 3.958 12.164 262 HD3 ARG 40 2HD ARG 40 8.761 4.501 11.059 263 HE ARG 40 HE ARG 40 7.713 6.826 11.789 264 HH11 ARG 40 2HH1 ARG 40 8.557 4.043 13.702 265 HH12 ARG 40 1HH1 ARG 40 8.920 4.966 15.123 266 HH21 ARG 40 2HH2 ARG 40 8.188 8.053 13.653 267 HH22 ARG 40 1HH2 ARG 40 8.708 7.247 15.094 268 H SER 41 H SER 41 2.317 5.659 9.625 269 HA SER 41 HA SER 41 0.767 4.243 11.666 270 HB2 SER 41 1HB SER 41 1.064 6.805 11.615 271 HB3 SER 41 2HB SER 41 -0.081 6.777 10.275 272 HG SER 41 HG SER 41 -0.651 6.782 12.821 273 H CYS 42 H CYS 42 0.495 5.371 8.311 274 HA CYS 42 HA CYS 42 -2.052 4.298 7.799 275 HB2 CYS 42 1HB CYS 42 0.247 4.903 5.932 276 HB3 CYS 42 2HB CYS 42 -1.368 4.458 5.389 277 H PHE 43 H PHE 43 1.146 2.889 7.734 278 HA PHE 43 HA PHE 43 0.382 0.506 6.351 279 HB2 PHE 43 1HB PHE 43 2.723 1.428 6.460 280 HB3 PHE 43 2HB PHE 43 2.786 0.902 8.139 281 HD1 PHE 43 2HD PHE 43 1.882 -0.510 4.802 282 HD2 PHE 43 1HD PHE 43 3.813 -1.100 8.549 283 HE1 PHE 43 2HE PHE 43 2.614 -2.742 4.069 284 HE2 PHE 43 1HE PHE 43 4.549 -3.333 7.822 285 HZ PHE 43 HZ PHE 43 3.949 -4.156 5.580 286 H ARG 44 H ARG 44 -1.297 -0.528 7.340 287 HA ARG 44 HA ARG 44 -0.665 -1.941 9.794 288 HB2 ARG 44 1HB ARG 44 -3.165 -1.248 10.488 289 HB3 ARG 44 2HB ARG 44 -1.742 -0.359 11.016 290 HG2 ARG 44 1HG ARG 44 -3.183 1.303 10.288 291 HG3 ARG 44 2HG ARG 44 -2.106 1.066 8.910 292 HD2 ARG 44 1HD ARG 44 -3.920 -0.638 8.140 293 HD3 ARG 44 2HD ARG 44 -4.961 0.251 9.251 294 HE ARG 44 HE ARG 44 -3.989 2.249 7.821 295 HH11 ARG 44 2HH1 ARG 44 -5.149 -0.864 6.779 296 HH12 ARG 44 1HH1 ARG 44 -5.687 -0.292 5.235 297 HH21 ARG 44 2HH2 ARG 44 -4.693 3.014 5.790 298 HH22 ARG 44 1HH2 ARG 44 -5.426 1.914 4.673 299 H CYS 45 H CYS 45 -2.647 -3.405 10.370 300 HA CYS 45 HA CYS 45 -3.001 -5.248 8.349 301 HB2 CYS 45 1HB CYS 45 -3.445 -5.587 10.807 302 HB3 CYS 45 2HB CYS 45 -4.983 -4.760 10.579 303 H HIS 46 H HIS 46 -5.037 -5.916 7.281 304 HA HIS 46 HA HIS 46 -6.414 -3.556 6.209 305 HB2 HIS 46 1HB HIS 46 -5.354 -4.845 4.492 306 HB3 HIS 46 2HB HIS 46 -6.037 -6.345 5.112 307 HD1 HIS 46 1HD HIS 46 -6.723 -3.554 2.824 308 HD2 HIS 46 2HD HIS 46 -8.863 -6.626 4.625 309 HE1 HIS 46 1HE HIS 46 -8.888 -3.701 1.553 310 H THR 47 H THR 47 -6.883 -5.826 8.517 311 HA THR 47 HA THR 47 -9.804 -5.852 8.108 312 HB THR 47 HB THR 47 -8.017 -7.939 9.346 313 HG1 THR 47 1HG THR 47 -9.834 -7.829 7.173 314 HG21 THR 47 1HG2 THR 47 -10.014 -9.127 10.070 315 HG22 THR 47 2HG2 THR 47 -11.031 -7.809 9.489 316 HG23 THR 47 3HG2 THR 47 -9.934 -7.544 10.844 317 H CYS 48 H CYS 48 -7.174 -5.528 10.429 318 HA CYS 48 HA CYS 48 -9.099 -4.448 12.382 319 HB2 CYS 48 1HB CYS 48 -7.421 -5.008 14.113 320 HB3 CYS 48 2HB CYS 48 -7.970 -6.428 13.229 321 H GLU 49 H GLU 49 -6.689 -3.615 10.228 322 HA GLU 49 HA GLU 49 -5.456 -1.738 9.857 323 HB2 GLU 49 1HB GLU 49 -7.446 -0.473 11.749 324 HB3 GLU 49 2HB GLU 49 -6.406 0.381 10.618 325 HG2 GLU 49 1HG GLU 49 -8.280 -1.689 9.585 326 HG3 GLU 49 2HG GLU 49 -8.906 -0.105 10.040 327 H ALA 50 H ALA 50 -4.318 -3.397 11.695 328 HA ALA 50 HA ALA 50 -3.378 -1.650 13.863 329 HB1 ALA 50 1HB ALA 50 -3.119 -4.637 13.530 330 HB2 ALA 50 2HB ALA 50 -2.514 -3.703 14.899 331 HB3 ALA 50 3HB ALA 50 -4.248 -3.795 14.591 332 H THR 51 H THR 51 -1.397 -0.811 13.810 333 HA THR 51 HA THR 51 0.254 -0.646 11.692 334 HB THR 51 HB THR 51 1.234 -0.846 14.546 335 HG1 THR 51 1HG THR 51 1.103 1.619 14.025 336 HG21 THR 51 1HG2 THR 51 2.477 0.081 11.992 337 HG22 THR 51 2HG2 THR 51 3.182 -0.856 13.310 338 HG23 THR 51 3HG2 THR 51 2.913 0.876 13.504 339 H LEU 52 H LEU 52 1.094 -2.169 10.433 340 HA LEU 52 HA LEU 52 1.681 -4.807 11.436 341 HB2 LEU 52 1HB LEU 52 2.120 -3.582 8.717 342 HB3 LEU 52 2HB LEU 52 2.337 -5.286 9.111 343 HG LEU 52 HG LEU 52 -0.288 -3.806 9.273 344 HD11 LEU 52 1HD1 LEU 52 0.654 -5.759 7.181 345 HD12 LEU 52 2HD1 LEU 52 0.584 -4.011 6.963 346 HD13 LEU 52 3HD1 LEU 52 -0.899 -4.925 7.237 347 HD21 LEU 52 1HD2 LEU 52 0.460 -6.107 10.551 348 HD22 LEU 52 2HD2 LEU 52 -0.263 -6.720 9.064 349 HD23 LEU 52 3HD2 LEU 52 -1.194 -5.665 10.127 350 H TRP 53 H TRP 53 3.401 -4.715 12.822 351 HA TRP 53 HA TRP 53 5.762 -3.224 12.343 352 HB2 TRP 53 1HB TRP 53 5.816 -5.669 14.059 353 HB3 TRP 53 2HB TRP 53 6.540 -4.087 14.337 354 HD1 TRP 53 HD TRP 53 3.152 -5.898 14.587 355 HE1 TRP 53 1HE TRP 53 1.662 -4.601 16.237 356 HE3 TRP 53 3HE TRP 53 6.172 -1.854 15.402 357 HZ2 TRP 53 2HZ TRP 53 1.754 -2.184 17.691 358 HZ3 TRP 53 3HZ TRP 53 5.397 -0.094 16.937 359 HH2 TRP 53 HH TRP 53 3.233 -0.257 18.056 360 HA PRO 54 HA PRO 54 8.085 -5.775 9.631 361 HB2 PRO 54 1HB PRO 54 10.608 -5.404 10.562 362 HB3 PRO 54 2HB PRO 54 9.715 -4.156 9.685 363 HG2 PRO 54 1HG PRO 54 10.119 -4.478 12.634 364 HG3 PRO 54 2HG PRO 54 10.198 -3.006 11.648 365 HD2 PRO 54 1HD PRO 54 8.028 -3.650 13.135 366 HD3 PRO 54 2HD PRO 54 7.906 -2.765 11.600 367 H GLY 55 H GLY 55 7.294 -6.774 12.566 368 HA2 GLY 55 1HA GLY 55 8.686 -9.325 12.226 369 HA3 GLY 55 2HA GLY 55 8.888 -8.495 13.762 370 H GLY 56 H GLY 56 5.931 -8.539 11.847 371 HA2 GLY 56 1HA GLY 56 4.669 -10.664 13.226 372 HA3 GLY 56 2HA GLY 56 4.259 -9.138 13.994 373 H TYR 57 H TYR 57 4.709 -10.005 10.574 374 HA TYR 57 HA TYR 57 1.892 -9.758 10.024 375 HB2 TYR 57 1HB TYR 57 1.851 -7.766 8.863 376 HB3 TYR 57 2HB TYR 57 3.015 -7.377 10.124 377 HD1 TYR 57 2HD TYR 57 5.505 -7.647 9.550 378 HD2 TYR 57 1HD TYR 57 2.430 -7.540 6.611 379 HE1 TYR 57 2HE TYR 57 7.170 -7.060 7.837 380 HE2 TYR 57 1HE TYR 57 4.087 -6.954 4.890 381 HH TYR 57 HH TYR 57 6.370 -6.981 4.448 382 H GLU 58 H GLU 58 1.393 -10.168 7.742 383 HA GLU 58 HA GLU 58 3.537 -11.247 6.108 384 HB2 GLU 58 1HB GLU 58 1.473 -12.920 7.456 385 HB3 GLU 58 2HB GLU 58 1.924 -13.342 5.810 386 HG2 GLU 58 1HG GLU 58 4.033 -12.914 7.879 387 HG3 GLU 58 2HG GLU 58 3.155 -14.440 7.801 388 H GLN 59 H GLN 59 2.954 -11.548 3.916 389 HA GLN 59 HA GLN 59 0.492 -10.124 3.168 390 HB2 GLN 59 1HB GLN 59 2.410 -8.973 2.340 391 HB3 GLN 59 2HB GLN 59 3.124 -10.463 1.737 392 HG2 GLN 59 1HG GLN 59 0.954 -10.547 0.274 393 HG3 GLN 59 2HG GLN 59 0.927 -8.814 0.597 394 HE21 GLN 59 1HE2 GLN 59 1.132 -9.161 -1.890 395 HE22 GLN 59 2HE2 GLN 59 2.744 -9.057 -2.501 396 H HIS 60 H HIS 60 -1.071 -11.583 2.825 397 HA HIS 60 HA HIS 60 -0.750 -14.236 2.045 398 HB2 HIS 60 1HB HIS 60 -2.829 -13.082 2.999 399 HB3 HIS 60 2HB HIS 60 -3.176 -12.590 1.344 400 HD1 HIS 60 1HD HIS 60 -4.206 -14.312 -0.189 401 HD2 HIS 60 2HD HIS 60 -2.965 -15.912 3.439 402 HE1 HIS 60 1HE HIS 60 -5.130 -16.650 -0.134 403 HA PRO 61 HA PRO 61 0.458 -13.645 -2.203 404 HB2 PRO 61 1HB PRO 61 0.624 -16.286 -2.810 405 HB3 PRO 61 2HB PRO 61 1.867 -15.433 -1.889 406 HG2 PRO 61 1HG PRO 61 -0.355 -17.180 -0.903 407 HG3 PRO 61 2HG PRO 61 1.340 -17.126 -0.385 408 HD2 PRO 61 1HD PRO 61 -0.649 -15.933 1.012 409 HD3 PRO 61 2HD PRO 61 1.002 -15.283 0.958 410 H GLY 62 H GLY 62 -2.247 -15.580 -1.079 411 HA2 GLY 62 1HA GLY 62 -3.460 -16.380 -3.403 412 HA3 GLY 62 2HA GLY 62 -4.348 -15.859 -1.978 413 H ASP 63 H ASP 63 -4.595 -13.446 -1.749 414 HA ASP 63 HA ASP 63 -5.587 -12.407 -4.259 415 HB2 ASP 63 1HB ASP 63 -6.619 -12.235 -1.826 416 HB3 ASP 63 2HB ASP 63 -5.611 -10.793 -1.746 417 H GLY 64 H GLY 64 -3.272 -11.332 -1.770 418 HA2 GLY 64 1HA GLY 64 -1.100 -10.506 -2.589 419 HA3 GLY 64 2HA GLY 64 -1.990 -9.676 -3.856 420 H HIS 65 H HIS 65 -2.573 -9.890 -0.356 421 HA HIS 65 HA HIS 65 -2.220 -6.971 -0.204 422 HB2 HIS 65 1HB HIS 65 -4.486 -8.656 0.823 423 HB3 HIS 65 2HB HIS 65 -4.084 -7.126 1.598 424 HD1 HIS 65 1HD HIS 65 -4.764 -4.989 0.404 425 HD2 HIS 65 2HD HIS 65 -5.489 -8.417 -1.828 426 HE1 HIS 65 1HE HIS 65 -6.168 -4.239 -1.543 427 H PHE 66 H PHE 66 -2.413 -6.441 2.366 428 HA PHE 66 HA PHE 66 -0.463 -8.226 3.668 429 HB2 PHE 66 1HB PHE 66 -0.700 -5.217 3.760 430 HB3 PHE 66 2HB PHE 66 0.278 -6.134 4.901 431 HD1 PHE 66 1HD PHE 66 2.279 -7.325 4.147 432 HD2 PHE 66 2HD PHE 66 0.005 -4.884 1.503 433 HE1 PHE 66 1HE PHE 66 4.159 -7.298 2.560 434 HE2 PHE 66 2HE PHE 66 1.881 -4.854 -0.088 435 HZ PHE 66 HZ PHE 66 3.961 -6.063 0.439 436 H TYR 67 H TYR 67 -1.141 -9.167 5.469 437 HA TYR 67 HA TYR 67 -3.168 -7.815 7.110 438 HB2 TYR 67 1HB TYR 67 -3.216 -10.766 6.451 439 HB3 TYR 67 2HB TYR 67 -4.389 -9.886 7.424 440 HD1 TYR 67 1HD TYR 67 -5.959 -8.313 6.350 441 HD2 TYR 67 2HD TYR 67 -3.297 -10.712 4.056 442 HE1 TYR 67 1HE TYR 67 -7.299 -7.865 4.337 443 HE2 TYR 67 2HE TYR 67 -4.628 -10.269 2.037 444 HH TYR 67 HH TYR 67 -6.329 -8.162 1.379 445 H CYS 68 H CYS 68 -3.297 -8.686 9.326 446 HA CYS 68 HA CYS 68 -0.679 -8.981 10.432 447 HB2 CYS 68 1HB CYS 68 -1.784 -8.964 12.587 448 HB3 CYS 68 2HB CYS 68 -2.506 -7.730 11.559 449 H LEU 69 H LEU 69 -0.346 -10.706 12.197 450 HA LEU 69 HA LEU 69 -0.561 -13.273 10.913 451 HB2 LEU 69 1HB LEU 69 0.507 -12.671 13.662 452 HB3 LEU 69 2HB LEU 69 0.840 -14.088 12.668 453 HG LEU 69 HG LEU 69 1.795 -11.270 12.172 454 HD11 LEU 69 1HD1 LEU 69 3.173 -13.802 13.037 455 HD12 LEU 69 2HD1 LEU 69 3.065 -12.273 13.909 456 HD13 LEU 69 3HD1 LEU 69 4.029 -12.381 12.437 457 HD21 LEU 69 1HD2 LEU 69 2.510 -13.712 10.574 458 HD22 LEU 69 2HD2 LEU 69 2.832 -12.018 10.200 459 HD23 LEU 69 3HD2 LEU 69 1.183 -12.642 10.119 460 H GLN 70 H GLN 70 -2.912 -11.731 12.207 461 HA GLN 70 HA GLN 70 -3.971 -14.052 13.676 462 HB2 GLN 70 1HB GLN 70 -3.491 -12.209 15.233 463 HB3 GLN 70 2HB GLN 70 -4.507 -11.138 14.278 464 HG2 GLN 70 1HG GLN 70 -6.437 -12.608 14.761 465 HG3 GLN 70 2HG GLN 70 -5.396 -13.569 15.810 466 HE21 GLN 70 1HE2 GLN 70 -5.262 -13.007 17.869 467 HE22 GLN 70 2HE2 GLN 70 -5.791 -11.506 18.542 468 H HIS 71 H HIS 71 -4.295 -11.924 11.089 469 HA HIS 71 HA HIS 71 -7.090 -12.765 10.686 470 HB2 HIS 71 1HB HIS 71 -5.776 -10.114 10.199 471 HB3 HIS 71 2HB HIS 71 -7.157 -10.601 9.221 472 HD2 HIS 71 2HD HIS 71 -8.182 -12.007 12.402 473 HE1 HIS 71 1HE HIS 71 -9.213 -7.910 12.789 474 HE2 HIS 71 2HE HIS 71 -9.459 -10.218 13.766 475 H LEU 72 H LEU 72 -3.901 -12.650 9.476 476 HA LEU 72 HA LEU 72 -4.146 -12.683 6.748 477 HB2 LEU 72 1HB LEU 72 -2.030 -12.825 8.047 478 HB3 LEU 72 2HB LEU 72 -2.376 -14.528 8.344 479 HG LEU 72 HG LEU 72 -2.460 -14.564 5.681 480 HD11 LEU 72 1HD1 LEU 72 -2.055 -12.263 5.271 481 HD12 LEU 72 2HD1 LEU 72 -0.573 -13.126 4.861 482 HD13 LEU 72 3HD1 LEU 72 -0.685 -12.238 6.380 483 HD21 LEU 72 1HD2 LEU 72 0.241 -14.513 6.961 484 HD22 LEU 72 2HD2 LEU 72 -0.407 -15.622 5.752 485 HD23 LEU 72 3HD2 LEU 72 -0.939 -15.738 7.430 486 HA PRO 73 HA PRO 73 -6.848 -16.180 6.127 487 HB2 PRO 73 1HB PRO 73 -6.953 -15.954 3.424 488 HB3 PRO 73 2HB PRO 73 -7.874 -14.909 4.511 489 HG2 PRO 73 1HG PRO 73 -5.286 -14.369 3.107 490 HG3 PRO 73 2HG PRO 73 -6.690 -13.305 3.315 491 HD2 PRO 73 1HD PRO 73 -4.466 -13.100 4.847 492 HD3 PRO 73 2HD PRO 73 -6.088 -12.723 5.463 493 H GLN 74 H GLN 74 -6.788 -17.967 4.261 494 HA GLN 74 HA GLN 74 -4.106 -18.762 3.529 495 HB2 GLN 74 1HB GLN 74 -5.603 -20.023 5.761 496 HB3 GLN 74 2HB GLN 74 -4.769 -21.104 4.653 497 HG2 GLN 74 1HG GLN 74 -3.473 -18.819 6.120 498 HG3 GLN 74 2HG GLN 74 -3.435 -20.504 6.637 499 HE21 GLN 74 1HE2 GLN 74 -1.708 -18.190 5.135 500 HE22 GLN 74 2HE2 GLN 74 -0.678 -19.168 4.152 501 H THR 75 H THR 75 -4.135 -19.805 1.641 502 HA THR 75 HA THR 75 -6.716 -20.538 0.506 503 HB THR 75 HB THR 75 -5.156 -19.168 -0.837 504 HG1 THR 75 1HG THR 75 -5.848 -20.158 -2.598 505 HG21 THR 75 1HG2 THR 75 -3.051 -19.827 -1.452 506 HG22 THR 75 2HG2 THR 75 -3.437 -21.544 -1.344 507 HG23 THR 75 3HG2 THR 75 -3.151 -20.610 0.124 508 H ASP 76 H ASP 76 -6.637 -22.537 -0.990 509 HA ASP 76 HA ASP 76 -5.526 -24.761 0.581 510 HB2 ASP 76 1HB ASP 76 -7.266 -26.148 -0.544 511 HB3 ASP 76 2HB ASP 76 -7.936 -24.847 0.437 512 H SER 77 H SER 77 -3.801 -23.433 -1.139 513 HA SER 77 HA SER 77 -3.469 -25.396 -3.313 514 HB2 SER 77 1HB SER 77 -2.482 -23.697 -4.688 515 HB3 SER 77 2HB SER 77 -3.990 -23.038 -4.054 516 HG SER 77 HG SER 77 -1.448 -22.584 -2.882 517 H GLY 78 H GLY 78 -1.997 -23.649 -0.687 518 HA2 GLY 78 1HA GLY 78 0.706 -24.290 -1.239 519 HA3 GLY 78 2HA GLY 78 0.059 -23.819 0.325 520 HA PRO 79 HA PRO 79 0.738 -27.886 1.811 521 HB2 PRO 79 1HB PRO 79 -1.226 -28.085 3.675 522 HB3 PRO 79 2HB PRO 79 0.210 -27.079 3.896 523 HG2 PRO 79 1HG PRO 79 -2.545 -26.285 3.036 524 HG3 PRO 79 2HG PRO 79 -1.454 -25.479 4.177 525 HD2 PRO 79 1HD PRO 79 -1.763 -24.644 1.620 526 HD3 PRO 79 2HD PRO 79 -0.228 -24.485 2.498 527 H SER 80 H SER 80 -2.281 -27.008 0.384 528 HA SER 80 HA SER 80 -4.041 -28.219 -0.448 529 HB2 SER 80 1HB SER 80 -3.387 -29.848 -2.077 530 HB3 SER 80 2HB SER 80 -2.124 -28.619 -2.050 531 HG SER 80 HG SER 80 -2.007 -31.053 -0.597 532 H SER 81 H SER 81 -3.738 -28.703 2.268 533 HA SER 81 HA SER 81 -3.563 -31.404 2.999 534 HB2 SER 81 1HB SER 81 -5.138 -29.181 4.321 535 HB3 SER 81 2HB SER 81 -4.730 -30.726 5.066 536 HG SER 81 HG SER 81 -3.168 -29.341 5.722 537 H GLY 82 H GLY 82 -6.498 -29.415 2.556 538 HA2 GLY 82 1HA GLY 82 -8.106 -30.690 0.973 539 HA3 GLY 82 2HA GLY 82 -8.042 -31.898 2.249 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -20.975 -3.926 -22.507 2 HA2 GLY 1 1HA GLY 1 -22.368 -2.376 -24.551 3 HA3 GLY 1 2HA GLY 1 -23.014 -2.289 -22.919 4 H SER 2 H SER 2 -21.417 -1.658 -21.205 5 HA SER 2 HA SER 2 -19.694 0.480 -22.260 6 HB2 SER 2 1HB SER 2 -21.694 0.855 -20.570 7 HB3 SER 2 2HB SER 2 -20.493 0.354 -19.380 8 HG SER 2 HG SER 2 -20.780 2.735 -20.390 9 H SER 3 H SER 3 -17.565 0.324 -22.037 10 HA SER 3 HA SER 3 -16.476 -1.882 -20.468 11 HB2 SER 3 1HB SER 3 -15.330 -0.080 -22.595 12 HB3 SER 3 2HB SER 3 -14.302 -1.132 -21.622 13 HG SER 3 HG SER 3 -16.554 -2.088 -23.046 14 H GLY 4 H GLY 4 -15.756 1.585 -20.940 15 HA2 GLY 4 1HA GLY 4 -15.622 3.036 -18.989 16 HA3 GLY 4 2HA GLY 4 -14.942 1.679 -18.104 17 H SER 5 H SER 5 -13.249 3.217 -17.534 18 HA SER 5 HA SER 5 -10.972 2.912 -19.233 19 HB2 SER 5 1HB SER 5 -12.137 4.855 -20.302 20 HB3 SER 5 2HB SER 5 -11.950 5.742 -18.789 21 HG SER 5 HG SER 5 -9.981 4.902 -20.616 22 H SER 6 H SER 6 -9.057 4.201 -18.281 23 HA SER 6 HA SER 6 -9.322 4.302 -15.348 24 HB2 SER 6 1HB SER 6 -8.029 2.299 -16.504 25 HB3 SER 6 2HB SER 6 -6.728 3.486 -16.589 26 HG SER 6 HG SER 6 -8.109 3.076 -14.173 27 H GLY 7 H GLY 7 -7.510 5.540 -14.301 28 HA2 GLY 7 1HA GLY 7 -6.752 7.834 -16.006 29 HA3 GLY 7 2HA GLY 7 -7.254 8.011 -14.331 30 H GLN 8 H GLN 8 -4.654 8.234 -16.181 31 HA GLN 8 HA GLN 8 -2.863 7.524 -13.983 32 HB2 GLN 8 1HB GLN 8 -2.675 6.506 -16.803 33 HB3 GLN 8 2HB GLN 8 -1.234 6.674 -15.808 34 HG2 GLN 8 1HG GLN 8 -3.650 5.040 -15.068 35 HG3 GLN 8 2HG GLN 8 -2.179 4.398 -15.797 36 HE21 GLN 8 1HE2 GLN 8 -0.189 4.635 -14.592 37 HE22 GLN 8 2HE2 GLN 8 -0.239 4.644 -12.865 38 H HIS 9 H HIS 9 -1.986 9.415 -13.462 39 HA HIS 9 HA HIS 9 -1.089 11.186 -15.641 40 HB2 HIS 9 1HB HIS 9 -2.405 11.751 -13.031 41 HB3 HIS 9 2HB HIS 9 -1.196 12.900 -13.597 42 HD1 HIS 9 1HD HIS 9 -1.759 14.251 -15.743 43 HD2 HIS 9 2HD HIS 9 -4.807 11.743 -14.446 44 HE1 HIS 9 1HE HIS 9 -3.807 14.971 -17.012 45 H GLN 10 H GLN 10 1.039 11.048 -15.885 46 HA GLN 10 HA GLN 10 2.777 10.146 -13.798 47 HB2 GLN 10 1HB GLN 10 3.262 11.199 -16.579 48 HB3 GLN 10 2HB GLN 10 4.578 10.761 -15.498 49 HG2 GLN 10 1HG GLN 10 3.697 8.481 -15.359 50 HG3 GLN 10 2HG GLN 10 2.399 8.925 -16.466 51 HE21 GLN 10 1HE2 GLN 10 5.838 8.412 -16.140 52 HE22 GLN 10 2HE2 GLN 10 6.167 8.219 -17.825 53 H GLU 11 H GLU 11 4.705 11.361 -13.098 54 HA GLU 11 HA GLU 11 4.378 14.269 -13.112 55 HB2 GLU 11 1HB GLU 11 3.292 13.195 -11.054 56 HB3 GLU 11 2HB GLU 11 4.927 12.799 -10.542 57 HG2 GLU 11 1HG GLU 11 4.062 14.858 -9.513 58 HG3 GLU 11 2HG GLU 11 5.526 15.121 -10.460 59 H ALA 12 H ALA 12 6.311 15.401 -12.283 60 HA ALA 12 HA ALA 12 8.755 13.812 -12.728 61 HB1 ALA 12 1HB ALA 12 7.816 16.027 -14.187 62 HB2 ALA 12 2HB ALA 12 9.202 16.588 -13.250 63 HB3 ALA 12 3HB ALA 12 9.371 15.209 -14.337 64 H GLY 13 H GLY 13 10.721 14.746 -11.705 65 HA2 GLY 13 1HA GLY 13 11.722 16.116 -10.019 66 HA3 GLY 13 2HA GLY 13 10.134 16.324 -9.294 67 H ALA 14 H ALA 14 9.539 15.017 -7.663 68 HA ALA 14 HA ALA 14 11.337 12.769 -7.025 69 HB1 ALA 14 1HB ALA 14 11.680 14.208 -5.266 70 HB2 ALA 14 2HB ALA 14 10.023 14.812 -5.294 71 HB3 ALA 14 3HB ALA 14 10.366 13.212 -4.638 72 H GLY 15 H GLY 15 10.365 10.934 -5.927 73 HA2 GLY 15 1HA GLY 15 7.461 10.679 -6.327 74 HA3 GLY 15 2HA GLY 15 8.537 9.480 -7.030 75 H ASP 16 H ASP 16 8.597 11.092 -3.862 76 HA ASP 16 HA ASP 16 8.435 8.423 -2.621 77 HB2 ASP 16 1HB ASP 16 9.887 10.855 -1.557 78 HB3 ASP 16 2HB ASP 16 9.843 9.259 -0.813 79 H LEU 17 H LEU 17 6.095 8.776 -2.665 80 HA LEU 17 HA LEU 17 5.240 10.314 -0.315 81 HB2 LEU 17 1HB LEU 17 3.534 10.166 -2.772 82 HB3 LEU 17 2HB LEU 17 3.410 11.270 -1.404 83 HG LEU 17 HG LEU 17 5.666 11.348 -3.400 84 HD11 LEU 17 1HD1 LEU 17 2.926 12.208 -3.680 85 HD12 LEU 17 2HD1 LEU 17 4.233 12.204 -4.864 86 HD13 LEU 17 3HD1 LEU 17 4.040 13.573 -3.770 87 HD21 LEU 17 1HD2 LEU 17 4.694 13.491 -1.527 88 HD22 LEU 17 2HD2 LEU 17 6.197 13.445 -2.450 89 HD23 LEU 17 3HD2 LEU 17 5.959 12.341 -1.094 90 H CYS 18 H CYS 18 3.947 9.221 1.032 91 HA CYS 18 HA CYS 18 3.608 6.582 1.163 92 HB2 CYS 18 1HB CYS 18 2.773 8.263 2.832 93 HB3 CYS 18 2HB CYS 18 1.344 8.474 1.826 94 H ALA 19 H ALA 19 2.266 4.976 0.409 95 HA ALA 19 HA ALA 19 0.834 5.611 -2.064 96 HB1 ALA 19 1HB ALA 19 1.381 3.561 -2.818 97 HB2 ALA 19 2HB ALA 19 2.617 3.649 -1.562 98 HB3 ALA 19 3HB ALA 19 1.105 2.795 -1.253 99 H LEU 20 H LEU 20 -0.006 5.706 0.986 100 HA LEU 20 HA LEU 20 -2.521 4.215 0.677 101 HB2 LEU 20 1HB LEU 20 -0.889 5.045 3.026 102 HB3 LEU 20 2HB LEU 20 -2.630 4.864 3.227 103 HG LEU 20 HG LEU 20 -1.133 2.609 1.998 104 HD11 LEU 20 1HD1 LEU 20 0.065 3.583 4.123 105 HD12 LEU 20 2HD1 LEU 20 -0.156 1.845 3.920 106 HD13 LEU 20 3HD1 LEU 20 -1.243 2.755 4.968 107 HD21 LEU 20 1HD2 LEU 20 -2.864 1.329 2.812 108 HD22 LEU 20 2HD2 LEU 20 -3.683 2.858 2.491 109 HD23 LEU 20 3HD2 LEU 20 -3.207 2.441 4.138 110 H CYS 21 H CYS 21 -1.272 7.316 1.906 111 HA CYS 21 HA CYS 21 -3.935 8.486 1.489 112 HB2 CYS 21 1HB CYS 21 -3.075 10.359 2.905 113 HB3 CYS 21 2HB CYS 21 -3.125 8.806 3.733 114 H GLY 22 H GLY 22 -0.520 8.874 0.698 115 HA2 GLY 22 1HA GLY 22 0.231 9.690 -1.397 116 HA3 GLY 22 2HA GLY 22 -1.308 10.514 -1.599 117 H GLU 23 H GLU 23 0.923 10.598 1.156 118 HA GLU 23 HA GLU 23 1.239 13.490 0.682 119 HB2 GLU 23 1HB GLU 23 1.229 12.074 3.353 120 HB3 GLU 23 2HB GLU 23 1.369 13.807 3.092 121 HG2 GLU 23 1HG GLU 23 -0.868 13.944 2.285 122 HG3 GLU 23 2HG GLU 23 -1.023 12.188 2.260 123 H HIS 24 H HIS 24 3.218 14.327 2.014 124 HA HIS 24 HA HIS 24 5.530 13.271 0.860 125 HB2 HIS 24 1HB HIS 24 5.118 15.602 1.895 126 HB3 HIS 24 2HB HIS 24 5.575 14.851 3.421 127 HD1 HIS 24 1HD HIS 24 8.058 13.942 3.575 128 HD2 HIS 24 2HD HIS 24 7.209 16.258 0.232 129 HE1 HIS 24 1HE HIS 24 10.293 14.592 2.623 130 H LEU 25 H LEU 25 7.266 12.087 1.708 131 HA LEU 25 HA LEU 25 6.589 10.451 4.063 132 HB2 LEU 25 1HB LEU 25 7.836 9.777 1.447 133 HB3 LEU 25 2HB LEU 25 8.341 8.877 2.875 134 HG LEU 25 HG LEU 25 5.443 9.106 2.132 135 HD11 LEU 25 1HD1 LEU 25 7.443 7.106 1.092 136 HD12 LEU 25 2HD1 LEU 25 6.503 8.260 0.147 137 HD13 LEU 25 3HD1 LEU 25 5.692 6.932 0.975 138 HD21 LEU 25 1HD2 LEU 25 5.139 7.288 3.545 139 HD22 LEU 25 2HD2 LEU 25 6.359 8.245 4.387 140 HD23 LEU 25 3HD2 LEU 25 6.837 6.816 3.469 141 H TYR 26 H TYR 26 8.083 10.200 5.655 142 HA TYR 26 HA TYR 26 10.429 11.937 5.508 143 HB2 TYR 26 1HB TYR 26 8.657 11.809 7.459 144 HB3 TYR 26 2HB TYR 26 9.655 10.460 7.991 145 HD1 TYR 26 1HD TYR 26 10.361 13.860 6.589 146 HD2 TYR 26 2HD TYR 26 11.069 11.052 9.706 147 HE1 TYR 26 1HE TYR 26 11.920 15.439 7.649 148 HE2 TYR 26 2HE TYR 26 12.629 12.624 10.776 149 HH TYR 26 HH TYR 26 13.867 14.521 10.415 150 H VAL 27 H VAL 27 12.512 11.208 6.167 151 HA VAL 27 HA VAL 27 13.314 8.776 5.047 152 HB VAL 27 HB VAL 27 14.910 10.555 5.300 153 HG11 VAL 27 1HG1 VAL 27 15.797 11.023 7.660 154 HG12 VAL 27 2HG1 VAL 27 14.246 11.731 7.207 155 HG13 VAL 27 3HG1 VAL 27 14.296 10.291 8.224 156 HG21 VAL 27 1HG2 VAL 27 16.789 9.350 6.254 157 HG22 VAL 27 2HG2 VAL 27 15.690 8.260 7.098 158 HG23 VAL 27 3HG2 VAL 27 15.764 8.247 5.336 159 H LEU 28 H LEU 28 11.857 9.412 8.048 160 HA LEU 28 HA LEU 28 12.645 6.750 9.037 161 HB2 LEU 28 1HB LEU 28 11.975 9.253 10.570 162 HB3 LEU 28 2HB LEU 28 12.100 7.660 11.313 163 HG LEU 28 HG LEU 28 14.367 9.009 9.855 164 HD11 LEU 28 1HD1 LEU 28 13.950 10.410 11.696 165 HD12 LEU 28 2HD1 LEU 28 15.248 9.335 12.212 166 HD13 LEU 28 3HD1 LEU 28 13.596 9.048 12.758 167 HD21 LEU 28 1HD2 LEU 28 14.910 7.009 11.915 168 HD22 LEU 28 2HD2 LEU 28 15.586 7.185 10.296 169 HD23 LEU 28 3HD2 LEU 28 14.033 6.378 10.521 170 H GLU 29 H GLU 29 10.209 8.338 7.597 171 HA GLU 29 HA GLU 29 8.154 6.747 8.986 172 HB2 GLU 29 1HB GLU 29 7.649 9.351 7.546 173 HB3 GLU 29 2HB GLU 29 6.526 8.451 8.554 174 HG2 GLU 29 1HG GLU 29 9.079 9.541 9.672 175 HG3 GLU 29 2HG GLU 29 7.636 10.543 9.527 176 H ARG 30 H ARG 30 9.774 5.860 6.807 177 HA ARG 30 HA ARG 30 7.681 5.503 4.770 178 HB2 ARG 30 1HB ARG 30 9.172 5.786 2.999 179 HB3 ARG 30 2HB ARG 30 9.648 7.049 4.125 180 HG2 ARG 30 1HG ARG 30 11.431 5.517 4.968 181 HG3 ARG 30 2HG ARG 30 11.012 4.410 3.659 182 HD2 ARG 30 1HD ARG 30 11.650 5.986 2.005 183 HD3 ARG 30 2HD ARG 30 11.764 7.285 3.192 184 HE ARG 30 HE ARG 30 13.559 5.065 3.637 185 HH11 ARG 30 2HH1 ARG 30 13.100 8.175 2.140 186 HH12 ARG 30 1HH1 ARG 30 14.794 8.522 2.039 187 HH21 ARG 30 2HH2 ARG 30 15.793 5.510 3.509 188 HH22 ARG 30 1HH2 ARG 30 16.325 7.005 2.817 189 H LEU 31 H LEU 31 7.194 3.443 4.388 190 HA LEU 31 HA LEU 31 9.051 1.375 5.352 191 HB2 LEU 31 1HB LEU 31 6.096 1.603 5.264 192 HB3 LEU 31 2HB LEU 31 6.792 0.001 5.029 193 HG LEU 31 HG LEU 31 7.954 0.246 7.213 194 HD11 LEU 31 1HD1 LEU 31 6.177 2.425 8.059 195 HD12 LEU 31 2HD1 LEU 31 7.472 2.897 6.961 196 HD13 LEU 31 3HD1 LEU 31 7.857 2.094 8.484 197 HD21 LEU 31 1HD2 LEU 31 6.102 -1.044 7.501 198 HD22 LEU 31 2HD2 LEU 31 5.006 0.190 6.880 199 HD23 LEU 31 3HD2 LEU 31 5.646 0.322 8.519 200 H CYS 32 H CYS 32 10.281 0.755 3.676 201 HA CYS 32 HA CYS 32 9.411 0.738 0.976 202 HB2 CYS 32 1HB CYS 32 11.534 -0.503 0.555 203 HB3 CYS 32 2HB CYS 32 11.760 0.983 1.469 204 HG CYS 32 HG CYS 32 13.518 -0.883 2.511 205 H VAL 33 H VAL 33 7.577 -0.496 0.729 206 HA VAL 33 HA VAL 33 7.888 -3.387 1.224 207 HB VAL 33 HB VAL 33 5.319 -1.797 1.157 208 HG11 VAL 33 1HG1 VAL 33 4.450 -4.030 2.117 209 HG12 VAL 33 2HG1 VAL 33 4.734 -3.909 0.380 210 HG13 VAL 33 3HG1 VAL 33 5.910 -4.722 1.413 211 HG21 VAL 33 1HG2 VAL 33 6.988 -2.884 3.400 212 HG22 VAL 33 2HG2 VAL 33 6.322 -1.263 3.198 213 HG23 VAL 33 3HG2 VAL 33 5.256 -2.611 3.594 214 H ASN 34 H ASN 34 8.291 -4.410 -0.620 215 HA ASN 34 HA ASN 34 8.240 -5.039 -2.806 216 HB2 ASN 34 1HB ASN 34 5.418 -3.963 -2.610 217 HB3 ASN 34 2HB ASN 34 6.024 -4.979 -3.914 218 HD21 ASN 34 1HD2 ASN 34 3.959 -6.029 -2.862 219 HD22 ASN 34 2HD2 ASN 34 4.311 -7.279 -1.724 220 H GLY 35 H GLY 35 9.105 -2.302 -2.123 221 HA2 GLY 35 1HA GLY 35 10.142 -0.798 -3.640 222 HA3 GLY 35 2HA GLY 35 8.920 -1.204 -4.836 223 H HIS 36 H HIS 36 6.704 -0.887 -2.956 224 HA HIS 36 HA HIS 36 6.425 1.984 -3.207 225 HB2 HIS 36 1HB HIS 36 4.411 0.076 -2.023 226 HB3 HIS 36 2HB HIS 36 4.115 1.655 -2.744 227 HD1 HIS 36 1HD HIS 36 4.663 1.745 -5.427 228 HD2 HIS 36 2HD HIS 36 4.051 -1.998 -3.731 229 HE1 HIS 36 1HE HIS 36 4.152 0.209 -7.352 230 H PHE 37 H PHE 37 6.259 3.448 -1.565 231 HA PHE 37 HA PHE 37 7.161 2.526 1.059 232 HB2 PHE 37 1HB PHE 37 7.027 5.273 -0.190 233 HB3 PHE 37 2HB PHE 37 7.496 4.991 1.484 234 HD1 PHE 37 1HD PHE 37 8.464 4.568 -2.024 235 HD2 PHE 37 2HD PHE 37 9.635 4.056 2.036 236 HE1 PHE 37 1HE PHE 37 10.787 4.195 -2.745 237 HE2 PHE 37 2HE PHE 37 11.960 3.682 1.322 238 HZ PHE 37 HZ PHE 37 12.539 3.752 -1.071 239 H PHE 38 H PHE 38 6.091 3.043 2.975 240 HA PHE 38 HA PHE 38 3.444 4.267 2.773 241 HB2 PHE 38 1HB PHE 38 3.911 1.569 4.062 242 HB3 PHE 38 2HB PHE 38 2.387 2.449 4.022 243 HD1 PHE 38 1HD PHE 38 4.825 0.570 2.019 244 HD2 PHE 38 2HD PHE 38 1.008 2.451 2.077 245 HE1 PHE 38 1HE PHE 38 4.255 -0.529 -0.107 246 HE2 PHE 38 2HE PHE 38 0.431 1.355 -0.049 247 HZ PHE 38 HZ PHE 38 2.055 -0.138 -1.144 248 H HIS 39 H HIS 39 2.700 5.204 4.679 249 HA HIS 39 HA HIS 39 4.674 6.141 6.461 250 HB2 HIS 39 1HB HIS 39 1.660 6.235 6.524 251 HB3 HIS 39 2HB HIS 39 2.650 6.964 7.786 252 HD2 HIS 39 2HD HIS 39 4.866 8.465 5.920 253 HE1 HIS 39 1HE HIS 39 1.503 10.275 4.074 254 HE2 HIS 39 2HE HIS 39 4.003 10.346 4.369 255 H ARG 40 H ARG 40 4.960 5.745 8.688 256 HA ARG 40 HA ARG 40 4.832 3.012 9.423 257 HB2 ARG 40 1HB ARG 40 5.734 5.535 10.707 258 HB3 ARG 40 2HB ARG 40 5.379 4.180 11.770 259 HG2 ARG 40 1HG ARG 40 6.911 2.835 10.188 260 HG3 ARG 40 2HG ARG 40 7.479 4.419 9.658 261 HD2 ARG 40 1HD ARG 40 8.966 3.947 11.349 262 HD3 ARG 40 2HD ARG 40 7.735 4.864 12.216 263 HE ARG 40 HE ARG 40 7.361 1.997 12.218 264 HH11 ARG 40 2HH1 ARG 40 8.717 4.757 13.850 265 HH12 ARG 40 1HH1 ARG 40 8.784 3.975 15.395 266 HH21 ARG 40 2HH2 ARG 40 7.444 0.956 14.246 267 HH22 ARG 40 1HH2 ARG 40 8.060 1.812 15.618 268 H SER 41 H SER 41 2.482 5.377 9.433 269 HA SER 41 HA SER 41 1.010 4.110 11.645 270 HB2 SER 41 1HB SER 41 -0.346 6.147 11.732 271 HB3 SER 41 2HB SER 41 1.366 6.543 11.883 272 HG SER 41 HG SER 41 -0.374 6.955 9.713 273 H CYS 42 H CYS 42 0.607 5.378 8.351 274 HA CYS 42 HA CYS 42 -2.014 4.542 7.918 275 HB2 CYS 42 1HB CYS 42 0.244 4.750 5.914 276 HB3 CYS 42 2HB CYS 42 -1.467 4.656 5.512 277 H PHE 43 H PHE 43 1.035 2.813 7.441 278 HA PHE 43 HA PHE 43 -0.028 0.518 6.221 279 HB2 PHE 43 1HB PHE 43 2.441 1.267 6.509 280 HB3 PHE 43 2HB PHE 43 2.355 0.417 8.049 281 HD1 PHE 43 2HD PHE 43 1.789 -0.060 4.407 282 HD2 PHE 43 1HD PHE 43 2.746 -1.864 8.142 283 HE1 PHE 43 2HE PHE 43 2.265 -2.182 3.257 284 HE2 PHE 43 1HE PHE 43 3.224 -3.988 6.997 285 HZ PHE 43 HZ PHE 43 2.983 -4.150 4.552 286 H ARG 44 H ARG 44 -1.707 -0.527 7.111 287 HA ARG 44 HA ARG 44 -1.306 -1.749 9.729 288 HB2 ARG 44 1HB ARG 44 -3.805 -0.197 9.028 289 HB3 ARG 44 2HB ARG 44 -3.547 -1.125 10.499 290 HG2 ARG 44 1HG ARG 44 -1.903 0.387 11.276 291 HG3 ARG 44 2HG ARG 44 -1.809 1.194 9.709 292 HD2 ARG 44 1HD ARG 44 -4.088 2.009 9.978 293 HD3 ARG 44 2HD ARG 44 -4.221 1.165 11.519 294 HE ARG 44 HE ARG 44 -2.011 2.933 11.544 295 HH11 ARG 44 2HH1 ARG 44 -5.489 2.885 11.687 296 HH12 ARG 44 1HH1 ARG 44 -5.602 4.357 12.594 297 HH21 ARG 44 2HH2 ARG 44 -2.147 4.872 12.738 298 HH22 ARG 44 1HH2 ARG 44 -3.700 5.487 13.190 299 H CYS 45 H CYS 45 -3.159 -3.342 10.178 300 HA CYS 45 HA CYS 45 -3.201 -5.291 8.207 301 HB2 CYS 45 1HB CYS 45 -3.714 -5.611 10.648 302 HB3 CYS 45 2HB CYS 45 -5.310 -4.934 10.342 303 H HIS 46 H HIS 46 -5.151 -6.203 7.118 304 HA HIS 46 HA HIS 46 -6.686 -4.021 5.891 305 HB2 HIS 46 1HB HIS 46 -5.393 -5.322 4.308 306 HB3 HIS 46 2HB HIS 46 -6.091 -6.821 4.914 307 HD1 HIS 46 1HD HIS 46 -6.678 -4.072 2.536 308 HD2 HIS 46 2HD HIS 46 -8.846 -7.201 4.199 309 HE1 HIS 46 1HE HIS 46 -8.733 -4.301 1.105 310 H THR 47 H THR 47 -7.048 -6.171 8.302 311 HA THR 47 HA THR 47 -9.933 -6.494 7.786 312 HB THR 47 HB THR 47 -8.005 -8.393 9.106 313 HG1 THR 47 1HG THR 47 -9.903 -9.453 7.497 314 HG21 THR 47 1HG2 THR 47 -9.962 -8.086 10.592 315 HG22 THR 47 2HG2 THR 47 -9.884 -9.705 9.897 316 HG23 THR 47 3HG2 THR 47 -11.019 -8.521 9.250 317 H CYS 48 H CYS 48 -7.415 -5.824 10.144 318 HA CYS 48 HA CYS 48 -9.487 -4.800 11.973 319 HB2 CYS 48 1HB CYS 48 -7.879 -5.275 13.823 320 HB3 CYS 48 2HB CYS 48 -8.443 -6.720 12.990 321 H GLU 49 H GLU 49 -7.037 -3.955 9.920 322 HA GLU 49 HA GLU 49 -5.739 -2.105 9.617 323 HB2 GLU 49 1HB GLU 49 -7.986 -0.863 11.213 324 HB3 GLU 49 2HB GLU 49 -6.787 0.041 10.298 325 HG2 GLU 49 1HG GLU 49 -7.624 -0.685 8.249 326 HG3 GLU 49 2HG GLU 49 -8.508 -2.023 8.981 327 H ALA 50 H ALA 50 -4.668 -3.624 11.550 328 HA ALA 50 HA ALA 50 -4.063 -1.859 13.812 329 HB1 ALA 50 1HB ALA 50 -4.627 -3.954 14.642 330 HB2 ALA 50 2HB ALA 50 -3.761 -4.804 13.361 331 HB3 ALA 50 3HB ALA 50 -2.863 -3.986 14.639 332 H THR 51 H THR 51 -2.081 -1.004 14.153 333 HA THR 51 HA THR 51 -0.322 -0.479 12.134 334 HB THR 51 HB THR 51 0.436 -0.786 15.046 335 HG1 THR 51 1HG THR 51 -0.985 1.146 13.626 336 HG21 THR 51 1HG2 THR 51 2.455 0.024 14.534 337 HG22 THR 51 2HG2 THR 51 1.761 1.306 13.539 338 HG23 THR 51 3HG2 THR 51 2.060 -0.287 12.844 339 H LEU 52 H LEU 52 0.320 -2.136 10.829 340 HA LEU 52 HA LEU 52 1.222 -4.654 11.758 341 HB2 LEU 52 1HB LEU 52 1.743 -3.288 9.122 342 HB3 LEU 52 2HB LEU 52 2.003 -4.997 9.464 343 HG LEU 52 HG LEU 52 -0.679 -3.613 9.493 344 HD11 LEU 52 1HD1 LEU 52 0.495 -5.478 7.437 345 HD12 LEU 52 2HD1 LEU 52 0.318 -3.735 7.244 346 HD13 LEU 52 3HD1 LEU 52 -1.112 -4.753 7.408 347 HD21 LEU 52 1HD2 LEU 52 -1.640 -5.725 9.832 348 HD22 LEU 52 2HD2 LEU 52 -0.299 -5.653 10.975 349 HD23 LEU 52 3HD2 LEU 52 -0.131 -6.566 9.475 350 H TRP 53 H TRP 53 2.872 -4.562 13.208 351 HA TRP 53 HA TRP 53 5.132 -2.860 12.930 352 HB2 TRP 53 1HB TRP 53 5.258 -5.367 14.554 353 HB3 TRP 53 2HB TRP 53 5.877 -3.760 14.925 354 HD1 TRP 53 HD TRP 53 2.572 -5.741 14.909 355 HE1 TRP 53 1HE TRP 53 0.941 -4.600 16.541 356 HE3 TRP 53 3HE TRP 53 5.357 -1.621 16.093 357 HZ2 TRP 53 2HZ TRP 53 0.847 -2.263 18.120 358 HZ3 TRP 53 3HZ TRP 53 4.424 0.020 17.671 359 HH2 TRP 53 HH TRP 53 2.215 -0.296 18.663 360 HA PRO 54 HA PRO 54 7.769 -5.126 10.253 361 HB2 PRO 54 1HB PRO 54 10.208 -4.617 11.332 362 HB3 PRO 54 2HB PRO 54 9.272 -3.400 10.456 363 HG2 PRO 54 1HG PRO 54 9.548 -3.813 13.408 364 HG3 PRO 54 2HG PRO 54 9.569 -2.300 12.483 365 HD2 PRO 54 1HD PRO 54 7.379 -3.156 13.826 366 HD3 PRO 54 2HD PRO 54 7.271 -2.220 12.321 367 H GLY 55 H GLY 55 6.858 -6.337 13.043 368 HA2 GLY 55 1HA GLY 55 8.508 -8.733 12.723 369 HA3 GLY 55 2HA GLY 55 8.482 -7.974 14.308 370 H GLY 56 H GLY 56 5.682 -8.032 12.212 371 HA2 GLY 56 1HA GLY 56 4.510 -10.392 13.282 372 HA3 GLY 56 2HA GLY 56 3.921 -8.972 14.134 373 H TYR 57 H TYR 57 4.666 -9.603 10.708 374 HA TYR 57 HA TYR 57 1.886 -9.440 9.972 375 HB2 TYR 57 1HB TYR 57 1.828 -7.390 8.937 376 HB3 TYR 57 2HB TYR 57 2.937 -7.024 10.254 377 HD1 TYR 57 2HD TYR 57 5.396 -6.956 9.800 378 HD2 TYR 57 1HD TYR 57 2.529 -7.279 6.673 379 HE1 TYR 57 2HE TYR 57 7.097 -6.241 8.174 380 HE2 TYR 57 1HE TYR 57 4.222 -6.566 5.038 381 HH TYR 57 HH TYR 57 6.278 -5.604 4.817 382 H GLU 58 H GLU 58 1.506 -9.980 7.766 383 HA GLU 58 HA GLU 58 3.759 -10.689 6.091 384 HB2 GLU 58 1HB GLU 58 2.106 -12.701 7.523 385 HB3 GLU 58 2HB GLU 58 2.507 -13.043 5.846 386 HG2 GLU 58 1HG GLU 58 4.594 -12.308 7.871 387 HG3 GLU 58 2HG GLU 58 4.059 -13.969 7.622 388 H GLN 59 H GLN 59 3.149 -11.202 3.918 389 HA GLN 59 HA GLN 59 0.512 -10.111 3.224 390 HB2 GLN 59 1HB GLN 59 2.178 -8.837 2.158 391 HB3 GLN 59 2HB GLN 59 3.124 -10.260 1.743 392 HG2 GLN 59 1HG GLN 59 0.402 -10.024 0.592 393 HG3 GLN 59 2HG GLN 59 1.666 -8.969 -0.039 394 HE21 GLN 59 1HE2 GLN 59 1.371 -10.101 -2.040 395 HE22 GLN 59 2HE2 GLN 59 2.136 -11.629 -2.289 396 H HIS 60 H HIS 60 -0.960 -11.274 2.109 397 HA HIS 60 HA HIS 60 -0.478 -14.115 1.826 398 HB2 HIS 60 1HB HIS 60 -2.620 -13.091 2.741 399 HB3 HIS 60 2HB HIS 60 -2.993 -12.621 1.085 400 HD1 HIS 60 1HD HIS 60 -4.094 -14.343 -0.353 401 HD2 HIS 60 2HD HIS 60 -2.450 -15.977 3.096 402 HE1 HIS 60 1HE HIS 60 -4.855 -16.740 -0.315 403 HA PRO 61 HA PRO 61 0.686 -13.695 -2.447 404 HB2 PRO 61 1HB PRO 61 0.901 -16.354 -2.948 405 HB3 PRO 61 2HB PRO 61 2.128 -15.441 -2.061 406 HG2 PRO 61 1HG PRO 61 -0.062 -17.189 -1.007 407 HG3 PRO 61 2HG PRO 61 1.631 -17.083 -0.491 408 HD2 PRO 61 1HD PRO 61 -0.381 -15.873 0.857 409 HD3 PRO 61 2HD PRO 61 1.258 -15.195 0.777 410 H GLY 62 H GLY 62 -2.208 -14.784 -1.185 411 HA2 GLY 62 1HA GLY 62 -3.343 -15.954 -3.546 412 HA3 GLY 62 2HA GLY 62 -4.215 -15.470 -2.099 413 H ASP 63 H ASP 63 -4.434 -13.042 -1.818 414 HA ASP 63 HA ASP 63 -5.474 -11.970 -4.305 415 HB2 ASP 63 1HB ASP 63 -6.183 -10.062 -2.704 416 HB3 ASP 63 2HB ASP 63 -6.969 -11.630 -2.541 417 H GLY 64 H GLY 64 -3.068 -11.078 -1.852 418 HA2 GLY 64 1HA GLY 64 -0.950 -10.156 -2.664 419 HA3 GLY 64 2HA GLY 64 -1.882 -9.249 -3.846 420 H HIS 65 H HIS 65 -2.834 -9.614 -0.492 421 HA HIS 65 HA HIS 65 -2.294 -6.743 -0.101 422 HB2 HIS 65 1HB HIS 65 -4.597 -8.469 0.734 423 HB3 HIS 65 2HB HIS 65 -4.182 -7.050 1.690 424 HD1 HIS 65 1HD HIS 65 -4.686 -4.749 0.676 425 HD2 HIS 65 2HD HIS 65 -5.649 -7.925 -1.823 426 HE1 HIS 65 1HE HIS 65 -6.061 -3.752 -1.179 427 H PHE 66 H PHE 66 -2.213 -6.197 2.337 428 HA PHE 66 HA PHE 66 -0.405 -8.139 3.607 429 HB2 PHE 66 1HB PHE 66 -0.566 -5.135 3.755 430 HB3 PHE 66 2HB PHE 66 0.317 -6.073 4.955 431 HD1 PHE 66 2HD PHE 66 0.194 -5.044 1.437 432 HD2 PHE 66 1HD PHE 66 2.405 -7.115 4.427 433 HE1 PHE 66 2HE PHE 66 2.159 -5.077 -0.043 434 HE2 PHE 66 1HE PHE 66 4.374 -7.151 2.952 435 HZ PHE 66 HZ PHE 66 4.252 -6.132 0.713 436 H TYR 67 H TYR 67 -1.106 -9.159 5.354 437 HA TYR 67 HA TYR 67 -3.160 -7.865 7.021 438 HB2 TYR 67 1HB TYR 67 -3.063 -10.824 6.415 439 HB3 TYR 67 2HB TYR 67 -4.312 -9.960 7.304 440 HD1 TYR 67 2HD TYR 67 -2.833 -10.469 3.955 441 HD2 TYR 67 1HD TYR 67 -6.095 -8.871 6.171 442 HE1 TYR 67 2HE TYR 67 -4.088 -10.146 1.864 443 HE2 TYR 67 1HE TYR 67 -7.359 -8.545 4.087 444 HH TYR 67 HH TYR 67 -6.497 -8.214 1.445 445 H CYS 68 H CYS 68 -3.289 -8.807 9.230 446 HA CYS 68 HA CYS 68 -0.672 -8.930 10.378 447 HB2 CYS 68 1HB CYS 68 -1.822 -9.047 12.517 448 HB3 CYS 68 2HB CYS 68 -2.574 -7.819 11.504 449 H LEU 69 H LEU 69 -0.205 -10.651 12.090 450 HA LEU 69 HA LEU 69 -0.238 -13.208 10.778 451 HB2 LEU 69 1HB LEU 69 0.752 -12.566 13.547 452 HB3 LEU 69 2HB LEU 69 1.189 -13.951 12.548 453 HG LEU 69 HG LEU 69 1.991 -11.074 12.147 454 HD11 LEU 69 1HD1 LEU 69 4.275 -12.112 12.296 455 HD12 LEU 69 2HD1 LEU 69 3.484 -13.594 12.835 456 HD13 LEU 69 3HD1 LEU 69 3.341 -12.120 13.792 457 HD21 LEU 69 1HD2 LEU 69 2.614 -13.432 10.375 458 HD22 LEU 69 2HD2 LEU 69 3.139 -11.764 10.149 459 HD23 LEU 69 3HD2 LEU 69 1.430 -12.179 10.000 460 H GLN 70 H GLN 70 -2.681 -11.815 12.142 461 HA GLN 70 HA GLN 70 -3.596 -14.235 13.550 462 HB2 GLN 70 1HB GLN 70 -3.280 -12.352 15.106 463 HB3 GLN 70 2HB GLN 70 -4.377 -11.375 14.140 464 HG2 GLN 70 1HG GLN 70 -6.169 -13.025 14.607 465 HG3 GLN 70 2HG GLN 70 -5.056 -13.863 15.688 466 HE21 GLN 70 1HE2 GLN 70 -7.062 -13.290 17.043 467 HE22 GLN 70 2HE2 GLN 70 -6.949 -11.824 17.950 468 H HIS 71 H HIS 71 -4.044 -12.136 10.958 469 HA HIS 71 HA HIS 71 -6.765 -13.179 10.519 470 HB2 HIS 71 1HB HIS 71 -5.623 -10.452 9.999 471 HB3 HIS 71 2HB HIS 71 -6.974 -11.045 9.037 472 HD2 HIS 71 2HD HIS 71 -7.779 -12.426 12.334 473 HE1 HIS 71 1HE HIS 71 -9.268 -8.457 12.506 474 HE2 HIS 71 2HE HIS 71 -9.222 -10.713 13.627 475 H LEU 72 H LEU 72 -3.576 -12.794 9.324 476 HA LEU 72 HA LEU 72 -3.869 -12.947 6.584 477 HB2 LEU 72 1HB LEU 72 -1.736 -12.709 7.883 478 HB3 LEU 72 2HB LEU 72 -1.797 -14.446 8.176 479 HG LEU 72 HG LEU 72 -1.935 -14.459 5.502 480 HD11 LEU 72 1HD1 LEU 72 -1.305 -11.765 6.120 481 HD12 LEU 72 2HD1 LEU 72 -1.406 -12.537 4.538 482 HD13 LEU 72 3HD1 LEU 72 0.127 -12.511 5.409 483 HD21 LEU 72 1HD2 LEU 72 0.278 -15.183 5.516 484 HD22 LEU 72 2HD2 LEU 72 -0.269 -15.498 7.163 485 HD23 LEU 72 3HD2 LEU 72 0.731 -14.086 6.821 486 HA PRO 73 HA PRO 73 -6.010 -16.856 6.239 487 HB2 PRO 73 1HB PRO 73 -6.296 -16.749 3.541 488 HB3 PRO 73 2HB PRO 73 -7.320 -15.832 4.653 489 HG2 PRO 73 1HG PRO 73 -4.938 -14.922 3.084 490 HG3 PRO 73 2HG PRO 73 -6.487 -14.098 3.346 491 HD2 PRO 73 1HD PRO 73 -4.249 -13.473 4.738 492 HD3 PRO 73 2HD PRO 73 -5.876 -13.347 5.438 493 H GLN 74 H GLN 74 -5.718 -18.814 4.785 494 HA GLN 74 HA GLN 74 -2.998 -19.141 3.779 495 HB2 GLN 74 1HB GLN 74 -4.130 -20.495 6.168 496 HB3 GLN 74 2HB GLN 74 -3.182 -21.485 5.067 497 HG2 GLN 74 1HG GLN 74 -2.116 -18.878 6.068 498 HG3 GLN 74 2HG GLN 74 -2.014 -20.335 7.055 499 HE21 GLN 74 1HE2 GLN 74 -0.093 -18.545 5.425 500 HE22 GLN 74 2HE2 GLN 74 0.892 -19.694 4.592 501 H THR 75 H THR 75 -2.989 -20.232 1.926 502 HA THR 75 HA THR 75 -5.283 -21.050 0.606 503 HB THR 75 HB THR 75 -3.775 -22.302 -0.933 504 HG1 THR 75 1HG THR 75 -1.650 -21.385 0.715 505 HG21 THR 75 1HG2 THR 75 -3.021 -19.503 -0.112 506 HG22 THR 75 2HG2 THR 75 -4.083 -20.003 -1.428 507 HG23 THR 75 3HG2 THR 75 -2.347 -20.295 -1.536 508 H ASP 76 H ASP 76 -5.401 -23.423 -0.340 509 HA ASP 76 HA ASP 76 -5.625 -25.188 1.994 510 HB2 ASP 76 1HB ASP 76 -7.620 -24.604 0.447 511 HB3 ASP 76 2HB ASP 76 -6.874 -25.727 -0.686 512 H SER 77 H SER 77 -4.785 -25.387 -1.467 513 HA SER 77 HA SER 77 -2.805 -27.450 -0.765 514 HB2 SER 77 1HB SER 77 -5.021 -28.156 -2.029 515 HB3 SER 77 2HB SER 77 -4.153 -27.536 -3.433 516 HG SER 77 HG SER 77 -2.767 -29.251 -1.733 517 H GLY 78 H GLY 78 -2.152 -24.774 -0.909 518 HA2 GLY 78 1HA GLY 78 -1.036 -24.296 -3.565 519 HA3 GLY 78 2HA GLY 78 -1.050 -23.161 -2.223 520 HA PRO 79 HA PRO 79 2.939 -25.903 -2.511 521 HB2 PRO 79 1HB PRO 79 4.330 -24.788 -4.558 522 HB3 PRO 79 2HB PRO 79 3.251 -26.172 -4.771 523 HG2 PRO 79 1HG PRO 79 2.743 -23.273 -5.319 524 HG3 PRO 79 2HG PRO 79 2.313 -24.689 -6.297 525 HD2 PRO 79 1HD PRO 79 0.527 -23.420 -4.706 526 HD3 PRO 79 2HD PRO 79 0.458 -25.167 -5.016 527 H SER 80 H SER 80 3.854 -25.051 -0.733 528 HA SER 80 HA SER 80 4.321 -22.247 -0.410 529 HB2 SER 80 1HB SER 80 5.374 -24.554 1.244 530 HB3 SER 80 2HB SER 80 5.329 -22.859 1.726 531 HG SER 80 HG SER 80 2.999 -24.293 1.009 532 H SER 81 H SER 81 6.405 -21.260 -0.046 533 HA SER 81 HA SER 81 8.647 -22.638 -1.354 534 HB2 SER 81 1HB SER 81 7.745 -19.797 -1.880 535 HB3 SER 81 2HB SER 81 9.257 -20.490 -2.464 536 HG SER 81 HG SER 81 6.662 -20.896 -3.334 537 H GLY 82 H GLY 82 10.764 -21.599 -0.888 538 HA2 GLY 82 1HA GLY 82 11.259 -19.664 1.007 539 HA3 GLY 82 2HA GLY 82 11.016 -21.145 1.921 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.640 35.434 -42.586 2 HA2 GLY 1 1HA GLY 1 -9.595 35.756 -40.279 3 HA3 GLY 1 2HA GLY 1 -10.872 34.669 -40.806 4 H SER 2 H SER 2 -9.232 34.251 -38.540 5 HA SER 2 HA SER 2 -8.426 31.572 -39.002 6 HB2 SER 2 1HB SER 2 -6.023 31.805 -38.547 7 HB3 SER 2 2HB SER 2 -6.472 32.676 -40.014 8 HG SER 2 HG SER 2 -5.080 33.788 -38.393 9 H SER 3 H SER 3 -7.811 30.477 -37.064 10 HA SER 3 HA SER 3 -7.643 31.863 -34.568 11 HB2 SER 3 1HB SER 3 -10.168 31.783 -35.282 12 HB3 SER 3 2HB SER 3 -10.062 30.102 -34.757 13 HG SER 3 HG SER 3 -9.487 32.412 -33.210 14 H GLY 4 H GLY 4 -6.841 30.574 -32.948 15 HA2 GLY 4 1HA GLY 4 -6.985 27.960 -32.418 16 HA3 GLY 4 2HA GLY 4 -5.894 27.957 -33.796 17 H SER 5 H SER 5 -6.110 28.165 -30.462 18 HA SER 5 HA SER 5 -3.263 28.774 -30.278 19 HB2 SER 5 1HB SER 5 -4.546 30.917 -29.916 20 HB3 SER 5 2HB SER 5 -5.265 30.169 -28.489 21 HG SER 5 HG SER 5 -3.228 30.020 -27.575 22 H SER 6 H SER 6 -2.562 26.914 -29.437 23 HA SER 6 HA SER 6 -3.328 26.181 -26.775 24 HB2 SER 6 1HB SER 6 -4.021 23.851 -27.370 25 HB3 SER 6 2HB SER 6 -5.159 25.085 -27.912 26 HG SER 6 HG SER 6 -4.902 24.232 -29.808 27 H GLY 7 H GLY 7 -1.501 25.601 -25.817 28 HA2 GLY 7 1HA GLY 7 0.292 23.688 -26.973 29 HA3 GLY 7 2HA GLY 7 0.956 25.315 -27.002 30 H GLN 8 H GLN 8 0.911 22.524 -25.288 31 HA GLN 8 HA GLN 8 2.289 23.615 -23.081 32 HB2 GLN 8 1HB GLN 8 0.736 23.318 -21.299 33 HB3 GLN 8 2HB GLN 8 -0.072 24.288 -22.523 34 HG2 GLN 8 1HG GLN 8 -1.549 22.639 -23.061 35 HG3 GLN 8 2HG GLN 8 -0.440 21.345 -22.607 36 HE21 GLN 8 1HE2 GLN 8 -2.544 20.610 -21.638 37 HE22 GLN 8 2HE2 GLN 8 -2.865 21.092 -20.010 38 H HIS 9 H HIS 9 3.036 21.991 -21.595 39 HA HIS 9 HA HIS 9 2.361 19.232 -22.013 40 HB2 HIS 9 1HB HIS 9 4.013 19.973 -23.897 41 HB3 HIS 9 2HB HIS 9 5.223 19.894 -22.621 42 HD1 HIS 9 1HD HIS 9 2.426 17.561 -23.758 43 HD2 HIS 9 2HD HIS 9 6.446 17.499 -22.709 44 HE1 HIS 9 1HE HIS 9 3.139 15.158 -23.968 45 H GLN 10 H GLN 10 2.804 18.053 -20.234 46 HA GLN 10 HA GLN 10 4.954 18.605 -18.459 47 HB2 GLN 10 1HB GLN 10 3.293 20.455 -17.939 48 HB3 GLN 10 2HB GLN 10 2.217 19.199 -17.340 49 HG2 GLN 10 1HG GLN 10 3.926 18.539 -15.704 50 HG3 GLN 10 2HG GLN 10 4.961 19.844 -16.284 51 HE21 GLN 10 1HE2 GLN 10 4.131 19.593 -13.635 52 HE22 GLN 10 2HE2 GLN 10 3.100 20.925 -13.251 53 H GLU 11 H GLU 11 5.401 16.852 -17.235 54 HA GLU 11 HA GLU 11 3.348 14.743 -17.090 55 HB2 GLU 11 1HB GLU 11 5.065 13.066 -17.381 56 HB3 GLU 11 2HB GLU 11 5.131 14.200 -18.723 57 HG2 GLU 11 1HG GLU 11 6.979 15.380 -17.488 58 HG3 GLU 11 2HG GLU 11 6.996 14.011 -16.377 59 H ALA 12 H ALA 12 3.048 13.764 -15.158 60 HA ALA 12 HA ALA 12 4.951 14.319 -12.993 61 HB1 ALA 12 1HB ALA 12 3.107 14.818 -11.453 62 HB2 ALA 12 2HB ALA 12 3.191 15.979 -12.779 63 HB3 ALA 12 3HB ALA 12 1.967 14.709 -12.795 64 H GLY 13 H GLY 13 5.667 12.345 -12.482 65 HA2 GLY 13 1HA GLY 13 3.695 10.336 -11.687 66 HA3 GLY 13 2HA GLY 13 4.845 9.883 -12.936 67 H ALA 14 H ALA 14 4.592 11.023 -9.595 68 HA ALA 14 HA ALA 14 7.308 10.083 -9.055 69 HB1 ALA 14 1HB ALA 14 5.516 12.053 -7.863 70 HB2 ALA 14 2HB ALA 14 6.347 11.047 -6.676 71 HB3 ALA 14 3HB ALA 14 7.278 11.969 -7.856 72 H GLY 15 H GLY 15 7.774 8.588 -7.388 73 HA2 GLY 15 1HA GLY 15 5.473 6.940 -6.542 74 HA3 GLY 15 2HA GLY 15 6.950 6.211 -7.155 75 H ASP 16 H ASP 16 6.521 8.929 -4.914 76 HA ASP 16 HA ASP 16 7.755 7.300 -2.800 77 HB2 ASP 16 1HB ASP 16 8.471 10.198 -3.218 78 HB3 ASP 16 2HB ASP 16 9.282 9.009 -2.203 79 H LEU 17 H LEU 17 5.002 7.874 -3.162 80 HA LEU 17 HA LEU 17 4.513 9.552 -0.793 81 HB2 LEU 17 1HB LEU 17 2.616 9.318 -3.114 82 HB3 LEU 17 2HB LEU 17 2.534 10.437 -1.755 83 HG LEU 17 HG LEU 17 4.644 10.504 -3.910 84 HD11 LEU 17 1HD1 LEU 17 3.045 11.394 -5.180 85 HD12 LEU 17 2HD1 LEU 17 3.129 12.792 -4.108 86 HD13 LEU 17 3HD1 LEU 17 1.926 11.534 -3.824 87 HD21 LEU 17 1HD2 LEU 17 5.258 11.408 -1.657 88 HD22 LEU 17 2HD2 LEU 17 3.948 12.576 -1.837 89 HD23 LEU 17 3HD2 LEU 17 5.304 12.590 -2.965 90 H CYS 18 H CYS 18 3.239 8.694 0.748 91 HA CYS 18 HA CYS 18 2.835 6.139 1.263 92 HB2 CYS 18 1HB CYS 18 2.027 8.042 2.676 93 HB3 CYS 18 2HB CYS 18 0.596 8.134 1.654 94 H ALA 19 H ALA 19 2.063 4.440 0.216 95 HA ALA 19 HA ALA 19 0.343 4.760 -2.075 96 HB1 ALA 19 1HB ALA 19 1.746 2.445 -0.803 97 HB2 ALA 19 2HB ALA 19 0.503 2.176 -2.025 98 HB3 ALA 19 3HB ALA 19 1.940 3.119 -2.421 99 H LEU 20 H LEU 20 -0.474 5.102 0.927 100 HA LEU 20 HA LEU 20 -2.876 3.403 0.794 101 HB2 LEU 20 1HB LEU 20 -1.163 4.318 3.030 102 HB3 LEU 20 2HB LEU 20 -2.895 4.214 3.339 103 HG LEU 20 HG LEU 20 -1.458 1.866 2.175 104 HD11 LEU 20 1HD1 LEU 20 -1.537 2.571 5.105 105 HD12 LEU 20 2HD1 LEU 20 -0.099 2.549 4.085 106 HD13 LEU 20 3HD1 LEU 20 -0.967 1.050 4.418 107 HD21 LEU 20 1HD2 LEU 20 -3.187 0.689 3.560 108 HD22 LEU 20 2HD2 LEU 20 -3.830 1.688 2.255 109 HD23 LEU 20 3HD2 LEU 20 -3.879 2.271 3.920 110 H CYS 21 H CYS 21 -1.725 6.621 1.775 111 HA CYS 21 HA CYS 21 -4.471 7.631 1.488 112 HB2 CYS 21 1HB CYS 21 -3.669 9.599 2.763 113 HB3 CYS 21 2HB CYS 21 -3.482 8.094 3.656 114 H GLY 22 H GLY 22 -1.105 8.398 0.634 115 HA2 GLY 22 1HA GLY 22 -0.583 9.023 -1.648 116 HA3 GLY 22 2HA GLY 22 -2.147 9.820 -1.731 117 H GLU 23 H GLU 23 0.298 10.016 0.827 118 HA GLU 23 HA GLU 23 0.541 12.894 0.237 119 HB2 GLU 23 1HB GLU 23 0.430 11.440 2.870 120 HB3 GLU 23 2HB GLU 23 1.110 13.055 2.738 121 HG2 GLU 23 1HG GLU 23 -1.586 12.599 1.596 122 HG3 GLU 23 2HG GLU 23 -1.426 12.634 3.351 123 H HIS 24 H HIS 24 2.610 13.762 1.470 124 HA HIS 24 HA HIS 24 4.838 12.602 0.164 125 HB2 HIS 24 1HB HIS 24 4.379 15.056 1.075 126 HB3 HIS 24 2HB HIS 24 5.241 14.437 2.481 127 HD1 HIS 24 1HD HIS 24 5.740 15.599 -0.992 128 HD2 HIS 24 2HD HIS 24 7.964 13.743 1.986 129 HE1 HIS 24 1HE HIS 24 8.138 15.791 -1.726 130 H LEU 25 H LEU 25 6.542 11.400 0.939 131 HA LEU 25 HA LEU 25 6.068 10.077 3.521 132 HB2 LEU 25 1HB LEU 25 7.508 9.217 1.030 133 HB3 LEU 25 2HB LEU 25 7.717 8.380 2.567 134 HG LEU 25 HG LEU 25 5.049 8.715 1.206 135 HD11 LEU 25 1HD1 LEU 25 7.223 7.071 0.422 136 HD12 LEU 25 2HD1 LEU 25 5.581 7.108 -0.220 137 HD13 LEU 25 3HD1 LEU 25 5.978 6.036 1.123 138 HD21 LEU 25 1HD2 LEU 25 4.429 8.121 3.290 139 HD22 LEU 25 2HD2 LEU 25 6.018 7.472 3.695 140 HD23 LEU 25 3HD2 LEU 25 4.886 6.507 2.745 141 H TYR 26 H TYR 26 8.058 9.385 4.703 142 HA TYR 26 HA TYR 26 10.166 11.433 4.477 143 HB2 TYR 26 1HB TYR 26 8.530 11.483 6.507 144 HB3 TYR 26 2HB TYR 26 9.475 10.115 7.084 145 HD1 TYR 26 1HD TYR 26 10.195 13.457 5.556 146 HD2 TYR 26 2HD TYR 26 11.083 10.657 8.633 147 HE1 TYR 26 1HE TYR 26 11.866 15.009 6.477 148 HE2 TYR 26 2HE TYR 26 12.756 12.202 9.564 149 HH TYR 26 HH TYR 26 12.937 15.117 9.264 150 H VAL 27 H VAL 27 12.076 10.573 6.071 151 HA VAL 27 HA VAL 27 13.049 8.203 4.731 152 HB VAL 27 HB VAL 27 14.382 9.900 6.846 153 HG11 VAL 27 1HG1 VAL 27 16.420 8.793 5.552 154 HG12 VAL 27 2HG1 VAL 27 15.650 8.010 6.933 155 HG13 VAL 27 3HG1 VAL 27 15.229 7.519 5.291 156 HG21 VAL 27 1HG2 VAL 27 14.906 9.932 3.885 157 HG22 VAL 27 2HG2 VAL 27 13.768 11.032 4.663 158 HG23 VAL 27 3HG2 VAL 27 15.474 11.069 5.108 159 H LEU 28 H LEU 28 12.354 9.182 8.075 160 HA LEU 28 HA LEU 28 12.679 6.407 8.947 161 HB2 LEU 28 1HB LEU 28 12.367 8.985 10.469 162 HB3 LEU 28 2HB LEU 28 12.410 7.399 11.236 163 HG LEU 28 HG LEU 28 14.710 7.256 9.900 164 HD11 LEU 28 1HD1 LEU 28 14.408 10.199 10.480 165 HD12 LEU 28 2HD1 LEU 28 14.420 9.473 8.873 166 HD13 LEU 28 3HD1 LEU 28 15.857 9.386 9.891 167 HD21 LEU 28 1HD2 LEU 28 14.244 8.644 12.535 168 HD22 LEU 28 2HD2 LEU 28 15.814 8.073 11.969 169 HD23 LEU 28 3HD2 LEU 28 14.512 6.921 12.270 170 H GLU 29 H GLU 29 10.365 7.555 7.373 171 HA GLU 29 HA GLU 29 8.249 6.596 9.180 172 HB2 GLU 29 1HB GLU 29 7.953 8.844 7.181 173 HB3 GLU 29 2HB GLU 29 6.702 8.232 8.254 174 HG2 GLU 29 1HG GLU 29 8.179 8.914 10.175 175 HG3 GLU 29 2HG GLU 29 9.186 9.748 8.993 176 H ARG 30 H ARG 30 9.459 6.924 5.903 177 HA ARG 30 HA ARG 30 7.352 5.584 4.587 178 HB2 ARG 30 1HB ARG 30 8.776 5.503 2.689 179 HB3 ARG 30 2HB ARG 30 9.145 7.009 3.518 180 HG2 ARG 30 1HG ARG 30 11.164 6.120 4.405 181 HG3 ARG 30 2HG ARG 30 10.751 4.491 3.865 182 HD2 ARG 30 1HD ARG 30 12.229 5.158 2.229 183 HD3 ARG 30 2HD ARG 30 10.681 5.593 1.505 184 HE ARG 30 HE ARG 30 12.713 7.413 2.517 185 HH11 ARG 30 2HH1 ARG 30 9.492 6.969 1.272 186 HH12 ARG 30 1HH1 ARG 30 9.294 8.631 0.827 187 HH21 ARG 30 2HH2 ARG 30 12.465 9.604 1.936 188 HH22 ARG 30 1HH2 ARG 30 10.986 10.129 1.204 189 H LEU 31 H LEU 31 6.933 3.472 4.253 190 HA LEU 31 HA LEU 31 8.717 1.536 5.559 191 HB2 LEU 31 1HB LEU 31 5.794 1.744 5.211 192 HB3 LEU 31 2HB LEU 31 6.475 0.123 5.089 193 HG LEU 31 HG LEU 31 7.588 0.684 7.362 194 HD11 LEU 31 1HD1 LEU 31 6.811 2.416 8.608 195 HD12 LEU 31 2HD1 LEU 31 5.232 2.423 7.822 196 HD13 LEU 31 3HD1 LEU 31 6.626 3.133 7.007 197 HD21 LEU 31 1HD2 LEU 31 5.121 -0.484 6.603 198 HD22 LEU 31 2HD2 LEU 31 4.857 0.406 8.103 199 HD23 LEU 31 3HD2 LEU 31 6.111 -0.833 8.021 200 H CYS 32 H CYS 32 10.135 0.864 4.044 201 HA CYS 32 HA CYS 32 9.530 0.543 1.300 202 HB2 CYS 32 1HB CYS 32 11.761 -0.885 2.735 203 HB3 CYS 32 2HB CYS 32 11.716 -0.333 1.065 204 HG CYS 32 HG CYS 32 11.318 2.324 2.858 205 H VAL 33 H VAL 33 7.852 -0.794 0.846 206 HA VAL 33 HA VAL 33 8.146 -3.608 1.675 207 HB VAL 33 HB VAL 33 5.553 -2.111 1.269 208 HG11 VAL 33 1HG1 VAL 33 5.259 -4.370 0.566 209 HG12 VAL 33 2HG1 VAL 33 6.128 -4.983 1.975 210 HG13 VAL 33 3HG1 VAL 33 4.549 -4.221 2.174 211 HG21 VAL 33 1HG2 VAL 33 7.082 -1.839 3.418 212 HG22 VAL 33 2HG2 VAL 33 5.324 -1.928 3.531 213 HG23 VAL 33 3HG2 VAL 33 6.303 -3.359 3.857 214 H ASN 34 H ASN 34 9.017 -4.476 -0.137 215 HA ASN 34 HA ASN 34 9.265 -5.118 -2.312 216 HB2 ASN 34 1HB ASN 34 6.281 -5.126 -1.922 217 HB3 ASN 34 2HB ASN 34 7.000 -5.615 -3.454 218 HD21 ASN 34 1HD2 ASN 34 5.515 -7.044 -1.245 219 HD22 ASN 34 2HD2 ASN 34 6.501 -8.419 -0.896 220 H GLY 35 H GLY 35 9.745 -2.471 -2.116 221 HA2 GLY 35 1HA GLY 35 10.122 -0.783 -3.679 222 HA3 GLY 35 2HA GLY 35 8.944 -1.539 -4.742 223 H HIS 36 H HIS 36 6.860 -1.641 -2.711 224 HA HIS 36 HA HIS 36 5.847 1.032 -3.076 225 HB2 HIS 36 1HB HIS 36 4.591 -1.280 -1.586 226 HB3 HIS 36 2HB HIS 36 3.775 0.175 -2.149 227 HD1 HIS 36 1HD HIS 36 4.884 0.252 -5.038 228 HD2 HIS 36 2HD HIS 36 3.395 -3.149 -3.174 229 HE1 HIS 36 1HE HIS 36 4.181 -1.283 -6.901 230 H PHE 37 H PHE 37 5.748 2.630 -1.615 231 HA PHE 37 HA PHE 37 6.753 2.053 1.089 232 HB2 PHE 37 1HB PHE 37 6.757 4.668 -0.434 233 HB3 PHE 37 2HB PHE 37 7.405 4.426 1.185 234 HD1 PHE 37 1HD PHE 37 7.818 3.463 -2.361 235 HD2 PHE 37 2HD PHE 37 9.581 3.611 1.510 236 HE1 PHE 37 1HE PHE 37 9.993 2.845 -3.332 237 HE2 PHE 37 2HE PHE 37 11.758 2.994 0.546 238 HZ PHE 37 HZ PHE 37 11.967 2.611 -1.878 239 H PHE 38 H PHE 38 5.668 2.801 2.884 240 HA PHE 38 HA PHE 38 3.154 4.243 2.477 241 HB2 PHE 38 1HB PHE 38 3.307 1.762 4.194 242 HB3 PHE 38 2HB PHE 38 1.870 2.693 3.784 243 HD1 PHE 38 1HD PHE 38 4.569 0.653 2.242 244 HD2 PHE 38 2HD PHE 38 0.563 2.068 1.979 245 HE1 PHE 38 1HE PHE 38 4.182 -0.811 0.302 246 HE2 PHE 38 2HE PHE 38 0.170 0.606 0.040 247 HZ PHE 38 HZ PHE 38 1.981 -0.836 -0.801 248 H HIS 39 H HIS 39 2.176 4.844 4.670 249 HA HIS 39 HA HIS 39 4.260 6.110 6.218 250 HB2 HIS 39 1HB HIS 39 1.281 6.296 6.091 251 HB3 HIS 39 2HB HIS 39 2.098 6.864 7.545 252 HD2 HIS 39 2HD HIS 39 4.666 8.263 5.879 253 HE1 HIS 39 1HE HIS 39 1.569 10.664 4.253 254 HE2 HIS 39 2HE HIS 39 4.056 10.400 4.556 255 H ARG 40 H ARG 40 4.472 5.931 8.513 256 HA ARG 40 HA ARG 40 4.406 3.244 9.435 257 HB2 ARG 40 1HB ARG 40 5.122 5.878 10.683 258 HB3 ARG 40 2HB ARG 40 5.015 4.428 11.671 259 HG2 ARG 40 1HG ARG 40 6.659 4.333 9.197 260 HG3 ARG 40 2HG ARG 40 7.288 5.197 10.602 261 HD2 ARG 40 1HD ARG 40 7.103 3.227 11.965 262 HD3 ARG 40 2HD ARG 40 6.283 2.357 10.669 263 HE ARG 40 HE ARG 40 8.323 1.893 9.757 264 HH11 ARG 40 2HH1 ARG 40 8.664 4.563 11.965 265 HH12 ARG 40 1HH1 ARG 40 10.391 4.614 11.842 266 HH21 ARG 40 2HH2 ARG 40 10.597 1.951 9.586 267 HH22 ARG 40 1HH2 ARG 40 11.490 3.128 10.487 268 H SER 41 H SER 41 2.117 5.762 9.455 269 HA SER 41 HA SER 41 0.630 4.611 11.698 270 HB2 SER 41 1HB SER 41 -0.807 6.604 11.509 271 HB3 SER 41 2HB SER 41 0.891 7.052 11.677 272 HG SER 41 HG SER 41 0.935 7.313 9.382 273 H CYS 42 H CYS 42 0.169 5.480 8.282 274 HA CYS 42 HA CYS 42 -2.421 4.394 8.038 275 HB2 CYS 42 1HB CYS 42 -0.292 4.862 5.940 276 HB3 CYS 42 2HB CYS 42 -1.970 4.460 5.589 277 H PHE 43 H PHE 43 0.790 3.018 7.593 278 HA PHE 43 HA PHE 43 0.021 0.593 6.404 279 HB2 PHE 43 1HB PHE 43 2.363 1.492 6.552 280 HB3 PHE 43 2HB PHE 43 2.380 1.013 8.246 281 HD1 PHE 43 2HD PHE 43 1.510 -0.507 4.947 282 HD2 PHE 43 1HD PHE 43 3.425 -0.963 8.721 283 HE1 PHE 43 2HE PHE 43 2.247 -2.762 4.297 284 HE2 PHE 43 1HE PHE 43 4.166 -3.219 8.076 285 HZ PHE 43 HZ PHE 43 3.576 -4.122 5.862 286 H ARG 44 H ARG 44 -1.705 -0.394 7.371 287 HA ARG 44 HA ARG 44 -1.152 -1.699 9.921 288 HB2 ARG 44 1HB ARG 44 -3.764 -0.262 9.438 289 HB3 ARG 44 2HB ARG 44 -3.254 -1.081 10.909 290 HG2 ARG 44 1HG ARG 44 -1.629 0.585 11.376 291 HG3 ARG 44 2HG ARG 44 -1.836 1.318 9.784 292 HD2 ARG 44 1HD ARG 44 -3.974 2.144 10.329 293 HD3 ARG 44 2HD ARG 44 -4.091 1.118 11.758 294 HE ARG 44 HE ARG 44 -1.989 2.646 12.371 295 HH11 ARG 44 2HH1 ARG 44 -5.123 3.459 11.093 296 HH12 ARG 44 1HH1 ARG 44 -5.163 5.026 11.831 297 HH21 ARG 44 2HH2 ARG 44 -2.029 4.706 13.349 298 HH22 ARG 44 1HH2 ARG 44 -3.401 5.735 13.114 299 H CYS 45 H CYS 45 -3.011 -3.298 10.419 300 HA CYS 45 HA CYS 45 -3.130 -5.192 8.385 301 HB2 CYS 45 1HB CYS 45 -3.505 -5.590 10.845 302 HB3 CYS 45 2HB CYS 45 -5.124 -4.930 10.641 303 H HIS 46 H HIS 46 -5.153 -6.091 7.403 304 HA HIS 46 HA HIS 46 -6.734 -3.882 6.294 305 HB2 HIS 46 1HB HIS 46 -5.627 -5.157 4.595 306 HB3 HIS 46 2HB HIS 46 -6.183 -6.677 5.289 307 HD1 HIS 46 1HD HIS 46 -7.204 -3.932 3.024 308 HD2 HIS 46 2HD HIS 46 -8.917 -7.279 4.790 309 HE1 HIS 46 1HE HIS 46 -9.366 -4.307 1.795 310 H THR 47 H THR 47 -6.967 -6.144 8.668 311 HA THR 47 HA THR 47 -9.893 -6.347 8.371 312 HB THR 47 HB THR 47 -7.935 -8.319 9.532 313 HG1 THR 47 1HG THR 47 -8.930 -8.169 7.206 314 HG21 THR 47 1HG2 THR 47 -9.864 -9.622 10.324 315 HG22 THR 47 2HG2 THR 47 -10.936 -8.294 9.876 316 HG23 THR 47 3HG2 THR 47 -9.741 -8.071 11.153 317 H CYS 48 H CYS 48 -7.201 -5.887 10.603 318 HA CYS 48 HA CYS 48 -9.110 -4.868 12.604 319 HB2 CYS 48 1HB CYS 48 -7.334 -5.349 14.284 320 HB3 CYS 48 2HB CYS 48 -7.924 -6.790 13.462 321 H GLU 49 H GLU 49 -6.895 -3.918 10.344 322 HA GLU 49 HA GLU 49 -5.649 -2.042 9.974 323 HB2 GLU 49 1HB GLU 49 -7.756 -0.830 11.772 324 HB3 GLU 49 2HB GLU 49 -6.701 0.062 10.686 325 HG2 GLU 49 1HG GLU 49 -7.701 -1.219 8.791 326 HG3 GLU 49 2HG GLU 49 -8.859 -1.893 9.936 327 H ALA 50 H ALA 50 -4.479 -3.591 11.886 328 HA ALA 50 HA ALA 50 -3.744 -1.836 14.104 329 HB1 ALA 50 1HB ALA 50 -4.266 -4.100 14.717 330 HB2 ALA 50 2HB ALA 50 -3.096 -4.728 13.555 331 HB3 ALA 50 3HB ALA 50 -2.541 -3.826 14.965 332 H THR 51 H THR 51 -1.704 -1.038 14.431 333 HA THR 51 HA THR 51 -0.128 -0.383 12.245 334 HB THR 51 HB THR 51 0.810 -0.583 15.113 335 HG1 THR 51 1HG THR 51 -0.017 1.828 13.947 336 HG21 THR 51 1HG2 THR 51 2.707 -0.272 13.732 337 HG22 THR 51 2HG2 THR 51 2.296 1.331 14.342 338 HG23 THR 51 3HG2 THR 51 1.858 0.874 12.696 339 H LEU 52 H LEU 52 0.488 -2.077 10.956 340 HA LEU 52 HA LEU 52 1.587 -4.502 11.902 341 HB2 LEU 52 1HB LEU 52 1.921 -3.211 9.199 342 HB3 LEU 52 2HB LEU 52 2.226 -4.903 9.588 343 HG LEU 52 HG LEU 52 -0.476 -3.567 9.717 344 HD11 LEU 52 1HD1 LEU 52 0.305 -5.606 7.683 345 HD12 LEU 52 2HD1 LEU 52 0.707 -3.909 7.422 346 HD13 LEU 52 3HD1 LEU 52 -0.976 -4.395 7.629 347 HD21 LEU 52 1HD2 LEU 52 -1.327 -5.508 10.476 348 HD22 LEU 52 2HD2 LEU 52 0.315 -5.768 11.064 349 HD23 LEU 52 3HD2 LEU 52 -0.202 -6.492 9.540 350 H TRP 53 H TRP 53 3.266 -4.132 13.321 351 HA TRP 53 HA TRP 53 5.437 -2.386 12.783 352 HB2 TRP 53 1HB TRP 53 5.586 -4.759 14.631 353 HB3 TRP 53 2HB TRP 53 6.406 -3.206 14.771 354 HD1 TRP 53 HD TRP 53 3.089 -4.920 15.519 355 HE1 TRP 53 1HE TRP 53 1.673 -3.377 17.015 356 HE3 TRP 53 3HE TRP 53 5.986 -0.712 15.318 357 HZ2 TRP 53 2HZ TRP 53 1.770 -0.727 17.981 358 HZ3 TRP 53 3HZ TRP 53 5.253 1.284 16.555 359 HH2 TRP 53 HH TRP 53 3.188 1.275 17.858 360 HA PRO 54 HA PRO 54 8.030 -4.768 10.162 361 HB2 PRO 54 1HB PRO 54 10.489 -4.000 11.016 362 HB3 PRO 54 2HB PRO 54 9.423 -2.943 10.082 363 HG2 PRO 54 1HG PRO 54 9.903 -3.017 13.036 364 HG3 PRO 54 2HG PRO 54 9.768 -1.614 11.959 365 HD2 PRO 54 1HD PRO 54 7.725 -2.449 13.528 366 HD3 PRO 54 2HD PRO 54 7.464 -1.690 11.944 367 H GLY 55 H GLY 55 7.235 -6.755 11.340 368 HA2 GLY 55 1HA GLY 55 8.983 -8.696 11.700 369 HA3 GLY 55 2HA GLY 55 9.161 -7.867 13.239 370 H GLY 56 H GLY 56 6.072 -7.970 11.643 371 HA2 GLY 56 1HA GLY 56 5.135 -10.327 12.985 372 HA3 GLY 56 2HA GLY 56 4.606 -8.852 13.781 373 H TYR 57 H TYR 57 5.029 -9.410 10.314 374 HA TYR 57 HA TYR 57 2.170 -9.580 9.888 375 HB2 TYR 57 1HB TYR 57 1.908 -7.596 8.628 376 HB3 TYR 57 2HB TYR 57 2.772 -7.107 10.081 377 HD1 TYR 57 2HD TYR 57 5.263 -6.737 9.943 378 HD2 TYR 57 1HD TYR 57 2.838 -7.258 6.486 379 HE1 TYR 57 2HE TYR 57 7.033 -5.739 8.558 380 HE2 TYR 57 1HE TYR 57 4.603 -6.262 5.091 381 HH TYR 57 HH TYR 57 7.037 -5.914 5.173 382 H GLU 58 H GLU 58 1.712 -9.645 7.446 383 HA GLU 58 HA GLU 58 3.878 -10.469 5.749 384 HB2 GLU 58 1HB GLU 58 1.980 -12.490 6.908 385 HB3 GLU 58 2HB GLU 58 2.724 -12.747 5.337 386 HG2 GLU 58 1HG GLU 58 4.947 -12.321 6.559 387 HG3 GLU 58 2HG GLU 58 4.017 -12.605 8.029 388 H GLN 59 H GLN 59 3.186 -10.900 3.558 389 HA GLN 59 HA GLN 59 0.594 -9.640 2.968 390 HB2 GLN 59 1HB GLN 59 2.381 -8.349 2.048 391 HB3 GLN 59 2HB GLN 59 3.153 -9.780 1.378 392 HG2 GLN 59 1HG GLN 59 0.873 -9.977 0.072 393 HG3 GLN 59 2HG GLN 59 0.814 -8.243 0.390 394 HE21 GLN 59 1HE2 GLN 59 0.984 -9.383 -2.167 395 HE22 GLN 59 2HE2 GLN 59 2.497 -8.928 -2.864 396 H HIS 60 H HIS 60 -0.935 -11.061 2.478 397 HA HIS 60 HA HIS 60 -0.465 -13.734 1.730 398 HB2 HIS 60 1HB HIS 60 -2.569 -12.721 2.784 399 HB3 HIS 60 2HB HIS 60 -3.013 -12.231 1.151 400 HD1 HIS 60 1HD HIS 60 -3.998 -13.994 -0.365 401 HD2 HIS 60 2HD HIS 60 -2.518 -15.558 3.188 402 HE1 HIS 60 1HE HIS 60 -4.776 -16.385 -0.307 403 HA PRO 61 HA PRO 61 0.474 -13.179 -2.566 404 HB2 PRO 61 1HB PRO 61 0.385 -15.803 -3.256 405 HB3 PRO 61 2HB PRO 61 1.736 -15.089 -2.368 406 HG2 PRO 61 1HG PRO 61 -0.584 -16.673 -1.333 407 HG3 PRO 61 2HG PRO 61 1.130 -16.780 -0.892 408 HD2 PRO 61 1HD PRO 61 -0.687 -15.470 0.629 409 HD3 PRO 61 2HD PRO 61 1.010 -14.960 0.518 410 H GLY 62 H GLY 62 -2.341 -14.901 -1.372 411 HA2 GLY 62 1HA GLY 62 -3.701 -15.485 -3.700 412 HA3 GLY 62 2HA GLY 62 -4.483 -15.031 -2.194 413 H ASP 63 H ASP 63 -5.142 -12.893 -1.873 414 HA ASP 63 HA ASP 63 -6.016 -11.534 -4.182 415 HB2 ASP 63 1HB ASP 63 -5.921 -10.807 -1.265 416 HB3 ASP 63 2HB ASP 63 -6.479 -9.652 -2.472 417 H GLY 64 H GLY 64 -3.488 -10.690 -1.812 418 HA2 GLY 64 1HA GLY 64 -1.344 -9.903 -2.738 419 HA3 GLY 64 2HA GLY 64 -2.284 -8.975 -3.897 420 H HIS 65 H HIS 65 -2.746 -9.337 -0.398 421 HA HIS 65 HA HIS 65 -2.197 -6.459 -0.109 422 HB2 HIS 65 1HB HIS 65 -4.483 -8.062 1.028 423 HB3 HIS 65 2HB HIS 65 -3.999 -6.509 1.702 424 HD1 HIS 65 1HD HIS 65 -4.348 -4.402 0.167 425 HD2 HIS 65 2HD HIS 65 -5.966 -7.936 -1.300 426 HE1 HIS 65 1HE HIS 65 -5.924 -3.710 -1.667 427 H PHE 66 H PHE 66 -2.321 -6.098 2.523 428 HA PHE 66 HA PHE 66 -0.400 -8.038 3.634 429 HB2 PHE 66 1HB PHE 66 -0.479 -5.033 3.866 430 HB3 PHE 66 2HB PHE 66 0.441 -6.034 4.985 431 HD1 PHE 66 2HD PHE 66 0.020 -5.362 1.351 432 HD2 PHE 66 1HD PHE 66 2.618 -6.618 4.479 433 HE1 PHE 66 2HE PHE 66 1.905 -5.388 -0.230 434 HE2 PHE 66 1HE PHE 66 4.508 -6.645 2.904 435 HZ PHE 66 HZ PHE 66 4.153 -6.030 0.545 436 H TYR 67 H TYR 67 -1.032 -9.040 5.421 437 HA TYR 67 HA TYR 67 -2.997 -7.723 7.169 438 HB2 TYR 67 1HB TYR 67 -3.058 -10.672 6.525 439 HB3 TYR 67 2HB TYR 67 -4.255 -9.744 7.421 440 HD1 TYR 67 2HD TYR 67 -2.764 -10.193 4.052 441 HD2 TYR 67 1HD TYR 67 -6.048 -8.703 6.310 442 HE1 TYR 67 2HE TYR 67 -4.013 -9.805 1.969 443 HE2 TYR 67 1HE TYR 67 -7.307 -8.313 4.234 444 HH TYR 67 HH TYR 67 -6.727 -7.904 1.779 445 H CYS 68 H CYS 68 -3.098 -8.743 9.354 446 HA CYS 68 HA CYS 68 -0.457 -8.981 10.417 447 HB2 CYS 68 1HB CYS 68 -1.546 -9.158 12.581 448 HB3 CYS 68 2HB CYS 68 -2.309 -7.881 11.641 449 H LEU 69 H LEU 69 0.070 -10.778 11.999 450 HA LEU 69 HA LEU 69 -0.085 -13.277 10.596 451 HB2 LEU 69 1HB LEU 69 1.032 -12.777 13.347 452 HB3 LEU 69 2HB LEU 69 1.402 -14.120 12.267 453 HG LEU 69 HG LEU 69 2.231 -11.239 11.950 454 HD11 LEU 69 1HD1 LEU 69 3.913 -13.722 12.207 455 HD12 LEU 69 2HD1 LEU 69 3.482 -12.684 13.566 456 HD13 LEU 69 3HD1 LEU 69 4.451 -12.042 12.240 457 HD21 LEU 69 1HD2 LEU 69 1.550 -12.433 9.808 458 HD22 LEU 69 2HD2 LEU 69 2.931 -13.494 10.091 459 HD23 LEU 69 3HD2 LEU 69 3.181 -11.762 9.866 460 H GLN 70 H GLN 70 -2.467 -11.928 12.047 461 HA GLN 70 HA GLN 70 -3.352 -14.367 13.442 462 HB2 GLN 70 1HB GLN 70 -3.065 -12.678 15.113 463 HB3 GLN 70 2HB GLN 70 -3.903 -11.483 14.133 464 HG2 GLN 70 1HG GLN 70 -5.401 -12.140 15.829 465 HG3 GLN 70 2HG GLN 70 -5.961 -12.901 14.341 466 HE21 GLN 70 1HE2 GLN 70 -6.999 -14.619 15.198 467 HE22 GLN 70 2HE2 GLN 70 -6.226 -15.866 16.110 468 H HIS 71 H HIS 71 -3.944 -12.041 11.015 469 HA HIS 71 HA HIS 71 -6.644 -13.142 10.581 470 HB2 HIS 71 1HB HIS 71 -5.541 -10.384 10.127 471 HB3 HIS 71 2HB HIS 71 -6.943 -10.950 9.225 472 HD2 HIS 71 2HD HIS 71 -7.770 -12.514 12.349 473 HE1 HIS 71 1HE HIS 71 -8.873 -8.475 13.039 474 HE2 HIS 71 2HE HIS 71 -9.022 -10.845 13.879 475 H LEU 72 H LEU 72 -3.496 -12.728 9.323 476 HA LEU 72 HA LEU 72 -3.812 -12.694 6.596 477 HB2 LEU 72 1HB LEU 72 -1.658 -12.663 7.844 478 HB3 LEU 72 2HB LEU 72 -1.825 -14.401 8.088 479 HG LEU 72 HG LEU 72 -1.980 -14.351 5.426 480 HD11 LEU 72 1HD1 LEU 72 -0.115 -12.064 6.017 481 HD12 LEU 72 2HD1 LEU 72 -1.766 -11.851 5.435 482 HD13 LEU 72 3HD1 LEU 72 -0.584 -12.702 4.441 483 HD21 LEU 72 1HD2 LEU 72 -0.378 -15.580 6.903 484 HD22 LEU 72 2HD2 LEU 72 0.655 -14.151 6.874 485 HD23 LEU 72 3HD2 LEU 72 0.309 -15.020 5.378 486 HA PRO 73 HA PRO 73 -6.187 -16.431 5.981 487 HB2 PRO 73 1HB PRO 73 -6.487 -16.101 3.303 488 HB3 PRO 73 2HB PRO 73 -7.445 -15.213 4.494 489 HG2 PRO 73 1HG PRO 73 -5.025 -14.328 2.970 490 HG3 PRO 73 2HG PRO 73 -6.520 -13.437 3.313 491 HD2 PRO 73 1HD PRO 73 -4.239 -13.053 4.721 492 HD3 PRO 73 2HD PRO 73 -5.850 -12.885 5.448 493 H GLN 74 H GLN 74 -6.050 -18.076 3.955 494 HA GLN 74 HA GLN 74 -3.340 -18.549 3.073 495 HB2 GLN 74 1HB GLN 74 -4.594 -20.097 5.276 496 HB3 GLN 74 2HB GLN 74 -3.697 -21.010 4.070 497 HG2 GLN 74 1HG GLN 74 -2.611 -18.712 5.682 498 HG3 GLN 74 2HG GLN 74 -2.323 -20.421 6.004 499 HE21 GLN 74 1HE2 GLN 74 -1.558 -17.710 4.006 500 HE22 GLN 74 2HE2 GLN 74 -0.254 -18.444 3.143 501 H THR 75 H THR 75 -3.412 -19.354 1.086 502 HA THR 75 HA THR 75 -5.884 -20.086 -0.125 503 HB THR 75 HB THR 75 -4.165 -18.991 -1.447 504 HG1 THR 75 1HG THR 75 -4.623 -20.154 -3.195 505 HG21 THR 75 1HG2 THR 75 -2.496 -21.476 -1.427 506 HG22 THR 75 2HG2 THR 75 -2.297 -20.270 -0.155 507 HG23 THR 75 3HG2 THR 75 -2.038 -19.824 -1.842 508 H ASP 76 H ASP 76 -6.842 -21.940 0.450 509 HA ASP 76 HA ASP 76 -5.243 -24.406 0.289 510 HB2 ASP 76 1HB ASP 76 -5.585 -24.296 2.582 511 HB3 ASP 76 2HB ASP 76 -7.161 -23.526 2.413 512 H SER 77 H SER 77 -8.597 -23.201 0.385 513 HA SER 77 HA SER 77 -9.810 -25.400 -0.813 514 HB2 SER 77 1HB SER 77 -10.670 -22.515 -1.122 515 HB3 SER 77 2HB SER 77 -11.691 -23.946 -1.267 516 HG SER 77 HG SER 77 -11.164 -24.370 0.969 517 H GLY 78 H GLY 78 -10.914 -25.324 -3.015 518 HA2 GLY 78 1HA GLY 78 -10.819 -24.585 -5.308 519 HA3 GLY 78 2HA GLY 78 -9.144 -24.123 -5.042 520 HA PRO 79 HA PRO 79 -9.772 -28.801 -6.230 521 HB2 PRO 79 1HB PRO 79 -10.714 -28.787 -8.776 522 HB3 PRO 79 2HB PRO 79 -11.770 -28.885 -7.362 523 HG2 PRO 79 1HG PRO 79 -11.069 -26.508 -9.042 524 HG3 PRO 79 2HG PRO 79 -12.646 -26.993 -8.392 525 HD2 PRO 79 1HD PRO 79 -11.126 -25.068 -7.244 526 HD3 PRO 79 2HD PRO 79 -12.190 -26.133 -6.302 527 H SER 80 H SER 80 -8.180 -29.886 -7.360 528 HA SER 80 HA SER 80 -5.836 -28.679 -8.000 529 HB2 SER 80 1HB SER 80 -7.045 -31.202 -9.133 530 HB3 SER 80 2HB SER 80 -5.395 -30.698 -9.497 531 HG SER 80 HG SER 80 -5.070 -30.662 -7.170 532 H SER 81 H SER 81 -4.737 -28.522 -10.162 533 HA SER 81 HA SER 81 -5.697 -26.535 -11.715 534 HB2 SER 81 1HB SER 81 -3.431 -27.824 -11.827 535 HB3 SER 81 2HB SER 81 -4.235 -28.780 -13.072 536 HG SER 81 HG SER 81 -3.147 -27.022 -13.997 537 H GLY 82 H GLY 82 -6.322 -29.991 -12.203 538 HA2 GLY 82 1HA GLY 82 -8.208 -30.972 -13.142 539 HA3 GLY 82 2HA GLY 82 -8.812 -29.369 -13.535 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -18.256 5.559 -10.509 2 HA2 GLY 1 1HA GLY 1 -19.079 6.036 -13.012 3 HA3 GLY 1 2HA GLY 1 -19.193 7.641 -12.306 4 H SER 2 H SER 2 -16.978 7.705 -10.681 5 HA SER 2 HA SER 2 -14.744 8.135 -10.693 6 HB2 SER 2 1HB SER 2 -14.566 5.703 -11.168 7 HB3 SER 2 2HB SER 2 -14.622 6.059 -12.894 8 HG SER 2 HG SER 2 -12.479 5.853 -12.208 9 H SER 3 H SER 3 -16.348 9.873 -12.110 10 HA SER 3 HA SER 3 -15.575 10.386 -14.752 11 HB2 SER 3 1HB SER 3 -17.482 11.421 -13.258 12 HB3 SER 3 2HB SER 3 -16.261 12.646 -12.910 13 HG SER 3 HG SER 3 -17.733 12.943 -14.811 14 H GLY 4 H GLY 4 -14.044 11.745 -15.665 15 HA2 GLY 4 1HA GLY 4 -11.867 12.558 -13.838 16 HA3 GLY 4 2HA GLY 4 -11.595 11.958 -15.467 17 H SER 5 H SER 5 -10.710 14.464 -14.306 18 HA SER 5 HA SER 5 -11.987 16.283 -16.230 19 HB2 SER 5 1HB SER 5 -11.190 16.999 -13.397 20 HB3 SER 5 2HB SER 5 -11.807 18.127 -14.604 21 HG SER 5 HG SER 5 -13.378 15.903 -14.202 22 H SER 6 H SER 6 -10.553 18.390 -16.331 23 HA SER 6 HA SER 6 -7.921 17.477 -17.120 24 HB2 SER 6 1HB SER 6 -9.102 18.957 -18.636 25 HB3 SER 6 2HB SER 6 -9.274 20.173 -17.371 26 HG SER 6 HG SER 6 -6.867 20.102 -17.339 27 H GLY 7 H GLY 7 -5.972 18.155 -16.279 28 HA2 GLY 7 1HA GLY 7 -4.891 19.919 -14.835 29 HA3 GLY 7 2HA GLY 7 -6.151 19.533 -13.672 30 H GLN 8 H GLN 8 -4.690 18.922 -12.074 31 HA GLN 8 HA GLN 8 -3.069 17.653 -11.038 32 HB2 GLN 8 1HB GLN 8 -4.915 15.606 -12.272 33 HB3 GLN 8 2HB GLN 8 -3.701 15.217 -11.060 34 HG2 GLN 8 1HG GLN 8 -5.862 17.252 -10.606 35 HG3 GLN 8 2HG GLN 8 -6.057 15.541 -10.228 36 HE21 GLN 8 1HE2 GLN 8 -5.874 18.099 -8.605 37 HE22 GLN 8 2HE2 GLN 8 -4.713 17.731 -7.380 38 H HIS 9 H HIS 9 -2.084 18.542 -13.483 39 HA HIS 9 HA HIS 9 -0.805 16.227 -14.727 40 HB2 HIS 9 1HB HIS 9 0.163 18.161 -16.213 41 HB3 HIS 9 2HB HIS 9 -1.505 17.636 -16.425 42 HD1 HIS 9 1HD HIS 9 -2.307 19.899 -17.305 43 HD2 HIS 9 2HD HIS 9 -0.578 20.100 -13.532 44 HE1 HIS 9 1HE HIS 9 -2.850 22.196 -16.437 45 H GLN 10 H GLN 10 0.979 15.520 -13.758 46 HA GLN 10 HA GLN 10 3.053 15.468 -12.828 47 HB2 GLN 10 1HB GLN 10 3.264 18.336 -13.759 48 HB3 GLN 10 2HB GLN 10 4.599 17.285 -13.305 49 HG2 GLN 10 1HG GLN 10 2.777 16.976 -15.678 50 HG3 GLN 10 2HG GLN 10 4.480 17.430 -15.692 51 HE21 GLN 10 1HE2 GLN 10 3.010 15.170 -16.929 52 HE22 GLN 10 2HE2 GLN 10 3.837 13.749 -16.398 53 H GLU 11 H GLU 11 0.949 15.938 -11.112 54 HA GLU 11 HA GLU 11 0.836 18.043 -9.447 55 HB2 GLU 11 1HB GLU 11 -0.410 15.901 -9.166 56 HB3 GLU 11 2HB GLU 11 1.036 15.193 -8.462 57 HG2 GLU 11 1HG GLU 11 0.935 17.044 -6.739 58 HG3 GLU 11 2HG GLU 11 -0.677 17.394 -7.358 59 H ALA 12 H ALA 12 3.351 15.544 -9.344 60 HA ALA 12 HA ALA 12 5.224 17.433 -8.223 61 HB1 ALA 12 1HB ALA 12 4.895 16.890 -6.091 62 HB2 ALA 12 2HB ALA 12 3.835 15.548 -6.523 63 HB3 ALA 12 3HB ALA 12 5.582 15.311 -6.474 64 H GLY 13 H GLY 13 6.986 17.126 -9.408 65 HA2 GLY 13 1HA GLY 13 7.554 15.128 -11.158 66 HA3 GLY 13 2HA GLY 13 8.805 16.038 -10.325 67 H ALA 14 H ALA 14 9.841 15.141 -8.538 68 HA ALA 14 HA ALA 14 10.240 12.381 -8.569 69 HB1 ALA 14 1HB ALA 14 11.977 13.640 -7.660 70 HB2 ALA 14 2HB ALA 14 10.901 14.509 -6.564 71 HB3 ALA 14 3HB ALA 14 11.285 12.814 -6.263 72 H GLY 15 H GLY 15 9.192 10.707 -7.693 73 HA2 GLY 15 1HA GLY 15 6.662 11.003 -6.494 74 HA3 GLY 15 2HA GLY 15 7.597 9.516 -6.552 75 H ASP 16 H ASP 16 8.373 8.733 -4.699 76 HA ASP 16 HA ASP 16 8.859 8.527 -2.486 77 HB2 ASP 16 1HB ASP 16 9.596 11.397 -2.988 78 HB3 ASP 16 2HB ASP 16 9.701 10.715 -1.368 79 H LEU 17 H LEU 17 6.155 8.913 -3.205 80 HA LEU 17 HA LEU 17 5.151 10.253 -0.782 81 HB2 LEU 17 1HB LEU 17 3.489 10.061 -3.255 82 HB3 LEU 17 2HB LEU 17 3.365 11.193 -1.910 83 HG LEU 17 HG LEU 17 5.558 11.241 -3.980 84 HD11 LEU 17 1HD1 LEU 17 3.927 12.004 -5.320 85 HD12 LEU 17 2HD1 LEU 17 4.107 13.489 -4.387 86 HD13 LEU 17 3HD1 LEU 17 2.834 12.339 -3.977 87 HD21 LEU 17 1HD2 LEU 17 5.919 12.207 -1.628 88 HD22 LEU 17 2HD2 LEU 17 4.761 13.447 -2.110 89 HD23 LEU 17 3HD2 LEU 17 6.263 13.243 -3.013 90 H CYS 18 H CYS 18 3.716 9.142 0.436 91 HA CYS 18 HA CYS 18 3.557 6.450 0.508 92 HB2 CYS 18 1HB CYS 18 2.632 7.672 2.320 93 HB3 CYS 18 2HB CYS 18 1.471 8.486 1.276 94 H ALA 19 H ALA 19 1.759 4.944 0.033 95 HA ALA 19 HA ALA 19 0.781 5.402 -2.692 96 HB1 ALA 19 1HB ALA 19 0.284 2.743 -1.750 97 HB2 ALA 19 2HB ALA 19 1.319 3.284 -3.072 98 HB3 ALA 19 3HB ALA 19 1.962 3.187 -1.433 99 H LEU 20 H LEU 20 -0.315 4.477 0.537 100 HA LEU 20 HA LEU 20 -2.963 3.872 0.000 101 HB2 LEU 20 1HB LEU 20 -1.449 4.831 2.341 102 HB3 LEU 20 2HB LEU 20 -3.191 5.094 2.394 103 HG LEU 20 HG LEU 20 -3.194 2.509 1.738 104 HD11 LEU 20 1HD1 LEU 20 -1.001 1.884 1.658 105 HD12 LEU 20 2HD1 LEU 20 -1.335 1.583 3.363 106 HD13 LEU 20 3HD1 LEU 20 -0.504 3.060 2.876 107 HD21 LEU 20 1HD2 LEU 20 -4.415 3.070 3.598 108 HD22 LEU 20 2HD2 LEU 20 -3.066 3.903 4.370 109 HD23 LEU 20 3HD2 LEU 20 -3.108 2.140 4.331 110 H CYS 21 H CYS 21 -1.834 7.016 1.258 111 HA CYS 21 HA CYS 21 -4.226 8.278 0.160 112 HB2 CYS 21 1HB CYS 21 -3.432 10.276 1.442 113 HB3 CYS 21 2HB CYS 21 -3.728 8.857 2.441 114 H GLY 22 H GLY 22 -0.695 8.772 0.105 115 HA2 GLY 22 1HA GLY 22 0.420 9.134 -2.016 116 HA3 GLY 22 2HA GLY 22 -1.022 9.973 -2.569 117 H GLU 23 H GLU 23 0.735 10.341 0.488 118 HA GLU 23 HA GLU 23 1.128 13.176 -0.199 119 HB2 GLU 23 1HB GLU 23 1.146 11.971 2.568 120 HB3 GLU 23 2HB GLU 23 1.088 13.676 2.144 121 HG2 GLU 23 1HG GLU 23 -1.096 11.910 1.181 122 HG3 GLU 23 2HG GLU 23 -1.065 12.360 2.885 123 H HIS 24 H HIS 24 3.047 14.136 1.119 124 HA HIS 24 HA HIS 24 5.414 13.046 0.114 125 HB2 HIS 24 1HB HIS 24 4.776 15.431 1.168 126 HB3 HIS 24 2HB HIS 24 5.594 14.725 2.559 127 HD1 HIS 24 1HD HIS 24 6.328 16.820 -0.139 128 HD2 HIS 24 2HD HIS 24 8.241 13.516 1.498 129 HE1 HIS 24 1HE HIS 24 8.719 16.982 -0.901 130 H LEU 25 H LEU 25 7.165 12.000 1.126 131 HA LEU 25 HA LEU 25 6.468 10.572 3.608 132 HB2 LEU 25 1HB LEU 25 8.000 9.571 1.215 133 HB3 LEU 25 2HB LEU 25 7.871 8.705 2.745 134 HG LEU 25 HG LEU 25 5.439 9.447 1.146 135 HD11 LEU 25 1HD1 LEU 25 7.432 7.331 0.625 136 HD12 LEU 25 2HD1 LEU 25 6.326 8.149 -0.478 137 HD13 LEU 25 3HD1 LEU 25 5.735 6.854 0.563 138 HD21 LEU 25 1HD2 LEU 25 4.858 8.792 3.318 139 HD22 LEU 25 2HD2 LEU 25 6.072 7.513 3.353 140 HD23 LEU 25 3HD2 LEU 25 4.636 7.340 2.343 141 H TYR 26 H TYR 26 8.367 9.805 4.850 142 HA TYR 26 HA TYR 26 10.573 11.749 4.663 143 HB2 TYR 26 1HB TYR 26 8.973 11.721 6.713 144 HB3 TYR 26 2HB TYR 26 9.866 10.280 7.186 145 HD1 TYR 26 1HD TYR 26 10.854 13.596 5.758 146 HD2 TYR 26 2HD TYR 26 11.364 10.742 8.872 147 HE1 TYR 26 1HE TYR 26 12.595 15.013 6.762 148 HE2 TYR 26 2HE TYR 26 13.106 12.152 9.886 149 HH TYR 26 HH TYR 26 13.925 15.322 8.530 150 H VAL 27 H VAL 27 12.684 10.996 5.411 151 HA VAL 27 HA VAL 27 13.467 8.605 4.164 152 HB VAL 27 HB VAL 27 15.648 8.935 5.290 153 HG11 VAL 27 1HG1 VAL 27 16.250 10.864 4.092 154 HG12 VAL 27 2HG1 VAL 27 14.879 10.189 3.209 155 HG13 VAL 27 3HG1 VAL 27 14.647 11.578 4.271 156 HG21 VAL 27 1HG2 VAL 27 15.513 11.395 6.475 157 HG22 VAL 27 2HG2 VAL 27 14.004 10.648 7.000 158 HG23 VAL 27 3HG2 VAL 27 15.544 9.854 7.333 159 H LEU 28 H LEU 28 12.031 9.137 7.188 160 HA LEU 28 HA LEU 28 12.850 6.457 8.099 161 HB2 LEU 28 1HB LEU 28 12.057 8.854 9.746 162 HB3 LEU 28 2HB LEU 28 12.375 7.246 10.393 163 HG LEU 28 HG LEU 28 14.506 8.638 8.832 164 HD11 LEU 28 1HD1 LEU 28 14.635 9.071 11.714 165 HD12 LEU 28 2HD1 LEU 28 13.315 9.936 10.927 166 HD13 LEU 28 3HD1 LEU 28 14.975 10.176 10.382 167 HD21 LEU 28 1HD2 LEU 28 15.783 7.425 10.781 168 HD22 LEU 28 2HD2 LEU 28 15.215 6.527 9.373 169 HD23 LEU 28 3HD2 LEU 28 14.295 6.482 10.877 170 H GLU 29 H GLU 29 10.203 8.831 8.367 171 HA GLU 29 HA GLU 29 8.223 7.163 9.318 172 HB2 GLU 29 1HB GLU 29 7.838 9.382 7.303 173 HB3 GLU 29 2HB GLU 29 6.616 8.731 8.386 174 HG2 GLU 29 1HG GLU 29 8.192 9.466 10.274 175 HG3 GLU 29 2HG GLU 29 8.984 10.439 9.036 176 H ARG 30 H ARG 30 9.387 7.558 6.024 177 HA ARG 30 HA ARG 30 7.358 6.152 4.692 178 HB2 ARG 30 1HB ARG 30 8.802 6.089 2.827 179 HB3 ARG 30 2HB ARG 30 9.216 7.571 3.679 180 HG2 ARG 30 1HG ARG 30 11.110 6.356 4.740 181 HG3 ARG 30 2HG ARG 30 10.734 4.974 3.709 182 HD2 ARG 30 1HD ARG 30 11.321 6.119 1.760 183 HD3 ARG 30 2HD ARG 30 11.206 7.694 2.543 184 HE ARG 30 HE ARG 30 13.223 6.306 3.837 185 HH11 ARG 30 2HH1 ARG 30 12.562 7.498 0.634 186 HH12 ARG 30 1HH1 ARG 30 14.232 7.734 0.236 187 HH21 ARG 30 2HH2 ARG 30 15.425 6.612 3.325 188 HH22 ARG 30 1HH2 ARG 30 15.859 7.228 1.767 189 H LEU 31 H LEU 31 7.038 4.022 4.228 190 HA LEU 31 HA LEU 31 8.786 2.109 5.627 191 HB2 LEU 31 1HB LEU 31 5.856 2.295 5.280 192 HB3 LEU 31 2HB LEU 31 6.556 0.679 5.207 193 HG LEU 31 HG LEU 31 7.563 1.089 7.452 194 HD11 LEU 31 1HD1 LEU 31 6.648 3.739 6.925 195 HD12 LEU 31 2HD1 LEU 31 7.609 3.142 8.278 196 HD13 LEU 31 3HD1 LEU 31 5.848 3.127 8.373 197 HD21 LEU 31 1HD2 LEU 31 4.651 0.956 6.898 198 HD22 LEU 31 2HD2 LEU 31 5.157 1.211 8.568 199 HD23 LEU 31 3HD2 LEU 31 5.711 -0.213 7.686 200 H CYS 32 H CYS 32 10.184 1.379 4.130 201 HA CYS 32 HA CYS 32 9.553 1.040 1.385 202 HB2 CYS 32 1HB CYS 32 11.869 1.284 2.651 203 HB3 CYS 32 2HB CYS 32 11.800 -0.474 2.640 204 HG CYS 32 HG CYS 32 11.097 0.157 -0.363 205 H VAL 33 H VAL 33 8.120 -0.408 0.697 206 HA VAL 33 HA VAL 33 8.342 -3.165 1.699 207 HB VAL 33 HB VAL 33 5.739 -1.751 1.107 208 HG11 VAL 33 1HG1 VAL 33 6.431 -4.514 1.194 209 HG12 VAL 33 2HG1 VAL 33 5.377 -4.147 2.561 210 HG13 VAL 33 3HG1 VAL 33 4.854 -3.776 0.918 211 HG21 VAL 33 1HG2 VAL 33 7.256 -2.228 3.612 212 HG22 VAL 33 2HG2 VAL 33 6.210 -0.881 3.160 213 HG23 VAL 33 3HG2 VAL 33 5.503 -2.414 3.669 214 H ASN 34 H ASN 34 9.269 -4.116 -0.032 215 HA ASN 34 HA ASN 34 9.502 -4.998 -2.115 216 HB2 ASN 34 1HB ASN 34 6.561 -4.319 -2.185 217 HB3 ASN 34 2HB ASN 34 7.377 -5.142 -3.511 218 HD21 ASN 34 1HD2 ASN 34 5.255 -5.935 -1.530 219 HD22 ASN 34 2HD2 ASN 34 5.818 -7.434 -0.880 220 H GLY 35 H GLY 35 10.078 -2.187 -1.653 221 HA2 GLY 35 1HA GLY 35 11.125 -0.752 -3.242 222 HA3 GLY 35 2HA GLY 35 9.985 -1.314 -4.455 223 H HIS 36 H HIS 36 7.624 -0.987 -2.876 224 HA HIS 36 HA HIS 36 7.174 1.805 -3.340 225 HB2 HIS 36 1HB HIS 36 5.313 -0.134 -1.962 226 HB3 HIS 36 2HB HIS 36 4.885 1.364 -2.784 227 HD1 HIS 36 1HD HIS 36 5.944 1.171 -5.490 228 HD2 HIS 36 2HD HIS 36 4.556 -2.204 -3.504 229 HE1 HIS 36 1HE HIS 36 5.401 -0.494 -7.294 230 H PHE 37 H PHE 37 5.967 3.106 -1.622 231 HA PHE 37 HA PHE 37 7.132 2.643 1.039 232 HB2 PHE 37 1HB PHE 37 7.093 5.227 -0.524 233 HB3 PHE 37 2HB PHE 37 7.410 5.152 1.206 234 HD1 PHE 37 2HD PHE 37 9.423 3.945 2.031 235 HD2 PHE 37 1HD PHE 37 8.763 4.708 -2.104 236 HE1 PHE 37 2HE PHE 37 11.805 3.524 1.577 237 HE2 PHE 37 1HE PHE 37 11.143 4.287 -2.565 238 HZ PHE 37 HZ PHE 37 12.667 3.695 -0.723 239 H PHE 38 H PHE 38 5.911 3.351 2.796 240 HA PHE 38 HA PHE 38 3.316 4.573 2.290 241 HB2 PHE 38 1HB PHE 38 3.512 1.984 3.834 242 HB3 PHE 38 2HB PHE 38 2.049 2.858 3.393 243 HD1 PHE 38 1HD PHE 38 4.903 0.955 2.001 244 HD2 PHE 38 2HD PHE 38 0.969 2.447 1.358 245 HE1 PHE 38 1HE PHE 38 4.740 -0.375 -0.062 246 HE2 PHE 38 2HE PHE 38 0.799 1.119 -0.705 247 HZ PHE 38 HZ PHE 38 2.685 -0.296 -1.418 248 H HIS 39 H HIS 39 2.293 5.393 4.205 249 HA HIS 39 HA HIS 39 4.167 6.443 6.084 250 HB2 HIS 39 1HB HIS 39 1.149 6.571 5.965 251 HB3 HIS 39 2HB HIS 39 2.120 7.429 7.158 252 HD2 HIS 39 2HD HIS 39 4.192 9.101 5.629 253 HE1 HIS 39 1HE HIS 39 1.214 10.018 2.750 254 HE2 HIS 39 2HE HIS 39 3.502 10.594 3.632 255 H ARG 40 H ARG 40 4.109 6.185 8.386 256 HA ARG 40 HA ARG 40 4.092 3.518 9.234 257 HB2 ARG 40 1HB ARG 40 4.139 6.142 10.698 258 HB3 ARG 40 2HB ARG 40 4.076 4.621 11.578 259 HG2 ARG 40 1HG ARG 40 6.146 3.916 10.420 260 HG3 ARG 40 2HG ARG 40 6.224 5.509 9.665 261 HD2 ARG 40 1HD ARG 40 6.758 6.565 11.632 262 HD3 ARG 40 2HD ARG 40 5.974 5.339 12.627 263 HE ARG 40 HE ARG 40 8.691 5.313 11.644 264 HH11 ARG 40 2HH1 ARG 40 6.061 3.453 12.966 265 HH12 ARG 40 1HH1 ARG 40 7.083 2.187 13.560 266 HH21 ARG 40 2HH2 ARG 40 10.047 3.653 12.422 267 HH22 ARG 40 1HH2 ARG 40 9.351 2.302 13.252 268 H SER 41 H SER 41 1.598 5.960 9.245 269 HA SER 41 HA SER 41 -0.164 4.409 10.942 270 HB2 SER 41 1HB SER 41 -0.727 6.933 9.367 271 HB3 SER 41 2HB SER 41 -1.757 6.235 10.617 272 HG SER 41 HG SER 41 -0.045 6.593 12.102 273 H CYS 42 H CYS 42 -0.178 5.531 7.561 274 HA CYS 42 HA CYS 42 -2.491 4.293 6.699 275 HB2 CYS 42 1HB CYS 42 0.049 5.106 5.355 276 HB3 CYS 42 2HB CYS 42 -1.092 4.113 4.454 277 H PHE 43 H PHE 43 0.788 2.959 6.875 278 HA PHE 43 HA PHE 43 0.054 0.423 5.789 279 HB2 PHE 43 1HB PHE 43 2.391 1.525 5.867 280 HB3 PHE 43 2HB PHE 43 2.474 0.897 7.510 281 HD1 PHE 43 2HD PHE 43 1.478 -0.361 4.137 282 HD2 PHE 43 1HD PHE 43 3.608 -1.072 7.752 283 HE1 PHE 43 2HE PHE 43 2.230 -2.534 3.262 284 HE2 PHE 43 1HE PHE 43 4.365 -3.246 6.883 285 HZ PHE 43 HZ PHE 43 3.675 -3.980 4.636 286 H ARG 44 H ARG 44 -1.403 -0.777 6.847 287 HA ARG 44 HA ARG 44 -0.736 -1.852 9.418 288 HB2 ARG 44 1HB ARG 44 -3.186 -1.122 10.198 289 HB3 ARG 44 2HB ARG 44 -1.759 -0.152 10.536 290 HG2 ARG 44 1HG ARG 44 -3.259 1.408 9.741 291 HG3 ARG 44 2HG ARG 44 -2.312 1.021 8.303 292 HD2 ARG 44 1HD ARG 44 -4.162 -0.767 7.902 293 HD3 ARG 44 2HD ARG 44 -5.109 0.232 9.003 294 HE ARG 44 HE ARG 44 -4.266 2.052 7.251 295 HH11 ARG 44 2HH1 ARG 44 -5.635 -1.112 6.767 296 HH12 ARG 44 1HH1 ARG 44 -6.367 -0.707 5.250 297 HH21 ARG 44 2HH2 ARG 44 -5.225 2.598 5.255 298 HH22 ARG 44 1HH2 ARG 44 -6.132 1.404 4.390 299 H CYS 45 H CYS 45 -2.510 -3.383 10.178 300 HA CYS 45 HA CYS 45 -3.009 -5.317 8.295 301 HB2 CYS 45 1HB CYS 45 -3.228 -5.520 10.807 302 HB3 CYS 45 2HB CYS 45 -4.821 -4.786 10.653 303 H HIS 46 H HIS 46 -5.146 -6.109 7.498 304 HA HIS 46 HA HIS 46 -6.685 -3.845 6.433 305 HB2 HIS 46 1HB HIS 46 -5.761 -5.138 4.662 306 HB3 HIS 46 2HB HIS 46 -6.251 -6.652 5.417 307 HD1 HIS 46 1HD HIS 46 -7.410 -4.022 3.120 308 HD2 HIS 46 2HD HIS 46 -9.071 -7.185 5.240 309 HE1 HIS 46 1HE HIS 46 -9.677 -4.398 2.100 310 H THR 47 H THR 47 -6.851 -6.108 8.821 311 HA THR 47 HA THR 47 -9.793 -6.241 8.688 312 HB THR 47 HB THR 47 -7.807 -8.189 9.845 313 HG1 THR 47 1HG THR 47 -10.027 -8.893 8.286 314 HG21 THR 47 1HG2 THR 47 -9.580 -7.811 11.510 315 HG22 THR 47 2HG2 THR 47 -9.676 -9.425 10.805 316 HG23 THR 47 3HG2 THR 47 -10.795 -8.166 10.283 317 H CYS 48 H CYS 48 -6.997 -5.540 10.674 318 HA CYS 48 HA CYS 48 -8.799 -4.494 12.759 319 HB2 CYS 48 1HB CYS 48 -6.891 -4.863 14.345 320 HB3 CYS 48 2HB CYS 48 -7.574 -6.343 13.678 321 H GLU 49 H GLU 49 -6.595 -3.702 10.377 322 HA GLU 49 HA GLU 49 -5.484 -1.801 9.802 323 HB2 GLU 49 1HB GLU 49 -7.370 -0.538 11.800 324 HB3 GLU 49 2HB GLU 49 -6.430 0.328 10.593 325 HG2 GLU 49 1HG GLU 49 -7.648 -0.782 8.813 326 HG3 GLU 49 2HG GLU 49 -8.560 -1.714 9.999 327 H ALA 50 H ALA 50 -4.305 -3.397 11.820 328 HA ALA 50 HA ALA 50 -3.191 -1.507 13.748 329 HB1 ALA 50 1HB ALA 50 -3.917 -3.689 14.573 330 HB2 ALA 50 2HB ALA 50 -2.774 -4.483 13.489 331 HB3 ALA 50 3HB ALA 50 -2.183 -3.462 14.801 332 H THR 51 H THR 51 -1.283 -0.556 13.478 333 HA THR 51 HA THR 51 0.190 -0.429 11.225 334 HB THR 51 HB THR 51 1.338 -0.364 14.022 335 HG1 THR 51 1HG THR 51 0.840 1.794 13.960 336 HG21 THR 51 1HG2 THR 51 2.467 1.137 11.697 337 HG22 THR 51 2HG2 THR 51 2.893 -0.559 11.924 338 HG23 THR 51 3HG2 THR 51 3.255 0.617 13.187 339 H LEU 52 H LEU 52 1.037 -1.972 9.998 340 HA LEU 52 HA LEU 52 1.839 -4.512 11.094 341 HB2 LEU 52 1HB LEU 52 2.058 -3.410 8.297 342 HB3 LEU 52 2HB LEU 52 2.389 -5.077 8.761 343 HG LEU 52 HG LEU 52 -0.299 -3.729 9.004 344 HD11 LEU 52 1HD1 LEU 52 0.705 -5.675 6.931 345 HD12 LEU 52 2HD1 LEU 52 0.363 -3.965 6.667 346 HD13 LEU 52 3HD1 LEU 52 -0.947 -5.073 7.077 347 HD21 LEU 52 1HD2 LEU 52 -1.159 -5.837 9.586 348 HD22 LEU 52 2HD2 LEU 52 0.298 -5.651 10.562 349 HD23 LEU 52 3HD2 LEU 52 0.326 -6.666 9.120 350 H TRP 53 H TRP 53 3.634 -4.301 12.352 351 HA TRP 53 HA TRP 53 5.861 -2.680 11.748 352 HB2 TRP 53 1HB TRP 53 6.040 -5.180 13.414 353 HB3 TRP 53 2HB TRP 53 6.910 -3.661 13.610 354 HD1 TRP 53 HD TRP 53 3.498 -5.265 14.308 355 HE1 TRP 53 1HE TRP 53 2.266 -3.837 16.059 356 HE3 TRP 53 3HE TRP 53 6.740 -1.320 14.563 357 HZ2 TRP 53 2HZ TRP 53 2.621 -1.364 17.374 358 HZ3 TRP 53 3HZ TRP 53 6.220 0.536 16.092 359 HH2 TRP 53 HH TRP 53 4.202 0.513 17.467 360 HA PRO 54 HA PRO 54 8.140 -4.994 8.796 361 HB2 PRO 54 1HB PRO 54 10.690 -4.411 9.524 362 HB3 PRO 54 2HB PRO 54 9.623 -3.239 8.742 363 HG2 PRO 54 1HG PRO 54 10.296 -3.548 11.643 364 HG3 PRO 54 2HG PRO 54 10.165 -2.067 10.676 365 HD2 PRO 54 1HD PRO 54 8.190 -2.911 12.325 366 HD3 PRO 54 2HD PRO 54 7.865 -2.027 10.820 367 H GLY 55 H GLY 55 7.594 -6.154 11.679 368 HA2 GLY 55 1HA GLY 55 9.183 -8.551 11.213 369 HA3 GLY 55 2HA GLY 55 9.468 -7.722 12.736 370 H GLY 56 H GLY 56 6.391 -8.109 11.028 371 HA2 GLY 56 1HA GLY 56 5.425 -10.289 12.519 372 HA3 GLY 56 2HA GLY 56 4.960 -8.806 13.338 373 H TYR 57 H TYR 57 5.156 -9.679 9.892 374 HA TYR 57 HA TYR 57 2.291 -9.623 9.606 375 HB2 TYR 57 1HB TYR 57 2.012 -7.659 8.426 376 HB3 TYR 57 2HB TYR 57 3.249 -7.172 9.579 377 HD1 TYR 57 2HD TYR 57 5.618 -6.991 8.841 378 HD2 TYR 57 1HD TYR 57 2.458 -7.717 6.086 379 HE1 TYR 57 2HE TYR 57 7.087 -6.317 6.988 380 HE2 TYR 57 1HE TYR 57 3.919 -7.046 4.225 381 HH TYR 57 HH TYR 57 5.906 -5.757 3.816 382 H GLU 58 H GLU 58 1.595 -10.192 7.444 383 HA GLU 58 HA GLU 58 3.653 -11.130 5.609 384 HB2 GLU 58 1HB GLU 58 1.833 -12.896 7.170 385 HB3 GLU 58 2HB GLU 58 2.143 -13.322 5.493 386 HG2 GLU 58 1HG GLU 58 4.436 -12.718 7.297 387 HG3 GLU 58 2HG GLU 58 3.630 -14.283 7.402 388 H GLN 59 H GLN 59 2.760 -11.793 3.514 389 HA GLN 59 HA GLN 59 0.275 -10.329 2.932 390 HB2 GLN 59 1HB GLN 59 2.147 -9.378 1.766 391 HB3 GLN 59 2HB GLN 59 2.659 -10.959 1.190 392 HG2 GLN 59 1HG GLN 59 0.269 -10.965 0.094 393 HG3 GLN 59 2HG GLN 59 0.448 -9.217 0.244 394 HE21 GLN 59 1HE2 GLN 59 0.198 -10.074 -2.217 395 HE22 GLN 59 2HE2 GLN 59 1.703 -10.078 -3.066 396 H HIS 60 H HIS 60 -1.408 -11.658 2.795 397 HA HIS 60 HA HIS 60 -1.292 -14.417 2.354 398 HB2 HIS 60 1HB HIS 60 -3.208 -13.114 3.368 399 HB3 HIS 60 2HB HIS 60 -3.663 -12.651 1.730 400 HD1 HIS 60 1HD HIS 60 -5.253 -14.175 0.600 401 HD2 HIS 60 2HD HIS 60 -3.224 -16.067 3.692 402 HE1 HIS 60 1HE HIS 60 -6.272 -16.468 0.768 403 HA PRO 61 HA PRO 61 -0.595 -14.645 -2.004 404 HB2 PRO 61 1HB PRO 61 -1.251 -17.259 -2.335 405 HB3 PRO 61 2HB PRO 61 0.265 -16.735 -1.592 406 HG2 PRO 61 1HG PRO 61 -2.264 -17.662 -0.285 407 HG3 PRO 61 2HG PRO 61 -0.584 -18.067 0.115 408 HD2 PRO 61 1HD PRO 61 -2.009 -16.229 1.502 409 HD3 PRO 61 2HD PRO 61 -0.253 -16.102 1.272 410 H GLY 62 H GLY 62 -3.603 -15.879 -0.590 411 HA2 GLY 62 1HA GLY 62 -5.103 -16.205 -2.909 412 HA3 GLY 62 2HA GLY 62 -5.771 -15.795 -1.336 413 H ASP 63 H ASP 63 -6.346 -13.695 -0.886 414 HA ASP 63 HA ASP 63 -7.254 -12.078 -2.915 415 HB2 ASP 63 1HB ASP 63 -7.652 -11.980 -0.335 416 HB3 ASP 63 2HB ASP 63 -6.305 -10.845 -0.349 417 H GLY 64 H GLY 64 -4.217 -11.687 -1.088 418 HA2 GLY 64 1HA GLY 64 -2.168 -11.095 -2.181 419 HA3 GLY 64 2HA GLY 64 -3.109 -10.284 -3.425 420 H HIS 65 H HIS 65 -3.454 -9.995 0.084 421 HA HIS 65 HA HIS 65 -2.607 -7.182 -0.145 422 HB2 HIS 65 1HB HIS 65 -4.996 -8.377 1.213 423 HB3 HIS 65 2HB HIS 65 -4.283 -6.898 1.850 424 HD1 HIS 65 1HD HIS 65 -4.356 -4.788 0.272 425 HD2 HIS 65 2HD HIS 65 -6.520 -8.073 -1.067 426 HE1 HIS 65 1HE HIS 65 -5.868 -3.907 -1.534 427 H PHE 66 H PHE 66 -2.504 -6.372 2.378 428 HA PHE 66 HA PHE 66 -0.540 -8.185 3.608 429 HB2 PHE 66 1HB PHE 66 -0.793 -5.188 3.579 430 HB3 PHE 66 2HB PHE 66 0.163 -6.005 4.811 431 HD1 PHE 66 1HD PHE 66 1.766 -7.905 3.719 432 HD2 PHE 66 2HD PHE 66 0.377 -4.370 1.797 433 HE1 PHE 66 1HE PHE 66 3.679 -7.996 2.174 434 HE2 PHE 66 2HE PHE 66 2.287 -4.456 0.249 435 HZ PHE 66 HZ PHE 66 3.941 -6.272 0.435 436 H TYR 67 H TYR 67 -1.154 -9.187 5.396 437 HA TYR 67 HA TYR 67 -3.048 -7.839 7.198 438 HB2 TYR 67 1HB TYR 67 -3.075 -10.798 6.583 439 HB3 TYR 67 2HB TYR 67 -4.210 -9.918 7.601 440 HD1 TYR 67 2HD TYR 67 -3.098 -10.451 4.121 441 HD2 TYR 67 1HD TYR 67 -6.058 -8.746 6.658 442 HE1 TYR 67 2HE TYR 67 -4.546 -10.076 2.169 443 HE2 TYR 67 1HE TYR 67 -7.515 -8.368 4.713 444 HH TYR 67 HH TYR 67 -7.850 -9.077 2.498 445 H CYS 68 H CYS 68 -2.984 -8.647 9.425 446 HA CYS 68 HA CYS 68 -0.297 -8.886 10.346 447 HB2 CYS 68 1HB CYS 68 -1.262 -8.909 12.578 448 HB3 CYS 68 2HB CYS 68 -2.053 -7.675 11.603 449 H LEU 69 H LEU 69 0.274 -10.588 12.029 450 HA LEU 69 HA LEU 69 -0.027 -13.174 10.799 451 HB2 LEU 69 1HB LEU 69 1.339 -12.534 13.402 452 HB3 LEU 69 2HB LEU 69 1.600 -13.934 12.364 453 HG LEU 69 HG LEU 69 2.376 -11.085 11.744 454 HD11 LEU 69 1HD1 LEU 69 4.677 -12.040 11.847 455 HD12 LEU 69 2HD1 LEU 69 3.979 -13.517 12.510 456 HD13 LEU 69 3HD1 LEU 69 3.837 -11.999 13.397 457 HD21 LEU 69 1HD2 LEU 69 1.646 -12.588 9.807 458 HD22 LEU 69 2HD2 LEU 69 3.100 -13.525 10.152 459 HD23 LEU 69 3HD2 LEU 69 3.232 -11.825 9.697 460 H GLN 70 H GLN 70 -2.271 -11.702 12.299 461 HA GLN 70 HA GLN 70 -3.048 -13.991 13.982 462 HB2 GLN 70 1HB GLN 70 -2.569 -12.048 15.385 463 HB3 GLN 70 2HB GLN 70 -3.683 -11.071 14.438 464 HG2 GLN 70 1HG GLN 70 -4.943 -11.603 16.285 465 HG3 GLN 70 2HG GLN 70 -5.440 -12.836 15.127 466 HE21 GLN 70 1HE2 GLN 70 -5.374 -12.742 18.113 467 HE22 GLN 70 2HE2 GLN 70 -4.516 -14.167 18.578 468 H HIS 71 H HIS 71 -3.861 -11.807 11.458 469 HA HIS 71 HA HIS 71 -6.584 -12.926 11.332 470 HB2 HIS 71 1HB HIS 71 -5.471 -10.259 10.522 471 HB3 HIS 71 2HB HIS 71 -6.933 -10.878 9.760 472 HD2 HIS 71 2HD HIS 71 -7.569 -12.102 13.086 473 HE1 HIS 71 1HE HIS 71 -8.621 -8.004 13.396 474 HE2 HIS 71 2HE HIS 71 -8.721 -10.266 14.498 475 H LEU 72 H LEU 72 -3.548 -12.677 9.761 476 HA LEU 72 HA LEU 72 -4.083 -12.939 7.091 477 HB2 LEU 72 1HB LEU 72 -1.834 -12.849 8.169 478 HB3 LEU 72 2HB LEU 72 -2.019 -14.553 8.578 479 HG LEU 72 HG LEU 72 -2.388 -14.722 5.939 480 HD11 LEU 72 1HD1 LEU 72 -0.211 -12.940 5.540 481 HD12 LEU 72 2HD1 LEU 72 -1.531 -12.050 6.297 482 HD13 LEU 72 3HD1 LEU 72 -1.807 -12.922 4.789 483 HD21 LEU 72 1HD2 LEU 72 0.423 -14.463 6.920 484 HD22 LEU 72 2HD2 LEU 72 -0.281 -15.662 5.836 485 HD23 LEU 72 3HD2 LEU 72 -0.625 -15.726 7.565 486 HA PRO 73 HA PRO 73 -6.589 -16.652 7.111 487 HB2 PRO 73 1HB PRO 73 -7.211 -16.538 4.471 488 HB3 PRO 73 2HB PRO 73 -8.008 -15.536 5.690 489 HG2 PRO 73 1HG PRO 73 -5.784 -14.828 3.815 490 HG3 PRO 73 2HG PRO 73 -7.216 -13.882 4.260 491 HD2 PRO 73 1HD PRO 73 -4.777 -13.429 5.345 492 HD3 PRO 73 2HD PRO 73 -6.285 -13.170 6.245 493 H GLN 74 H GLN 74 -6.669 -18.596 5.547 494 HA GLN 74 HA GLN 74 -4.207 -19.158 4.144 495 HB2 GLN 74 1HB GLN 74 -4.806 -20.271 6.829 496 HB3 GLN 74 2HB GLN 74 -4.168 -21.392 5.633 497 HG2 GLN 74 1HG GLN 74 -2.216 -20.007 5.320 498 HG3 GLN 74 2HG GLN 74 -2.866 -18.797 6.425 499 HE21 GLN 74 1HE2 GLN 74 -2.690 -19.095 8.595 500 HE22 GLN 74 2HE2 GLN 74 -1.820 -20.401 9.316 501 H THR 75 H THR 75 -5.099 -19.827 2.297 502 HA THR 75 HA THR 75 -7.568 -20.961 1.883 503 HB THR 75 HB THR 75 -6.196 -20.165 0.034 504 HG1 THR 75 1HG THR 75 -7.685 -21.552 -0.740 505 HG21 THR 75 1HG2 THR 75 -4.080 -21.282 1.095 506 HG22 THR 75 2HG2 THR 75 -4.202 -21.109 -0.656 507 HG23 THR 75 3HG2 THR 75 -4.553 -22.661 0.103 508 H ASP 76 H ASP 76 -4.515 -22.605 2.590 509 HA ASP 76 HA ASP 76 -4.975 -25.204 2.174 510 HB2 ASP 76 1HB ASP 76 -4.032 -24.345 4.902 511 HB3 ASP 76 2HB ASP 76 -3.519 -25.738 3.953 512 H SER 77 H SER 77 -6.783 -26.345 2.375 513 HA SER 77 HA SER 77 -8.383 -26.021 4.827 514 HB2 SER 77 1HB SER 77 -9.221 -26.836 2.038 515 HB3 SER 77 2HB SER 77 -10.276 -26.952 3.446 516 HG SER 77 HG SER 77 -10.214 -24.744 3.660 517 H GLY 78 H GLY 78 -9.404 -27.938 5.693 518 HA2 GLY 78 1HA GLY 78 -7.785 -30.014 6.303 519 HA3 GLY 78 2HA GLY 78 -9.531 -30.189 6.211 520 HA PRO 79 HA PRO 79 -9.285 -32.835 2.726 521 HB2 PRO 79 1HB PRO 79 -11.005 -31.799 0.900 522 HB3 PRO 79 2HB PRO 79 -11.543 -32.579 2.391 523 HG2 PRO 79 1HG PRO 79 -11.254 -29.664 1.776 524 HG3 PRO 79 2HG PRO 79 -12.563 -30.503 2.629 525 HD2 PRO 79 1HD PRO 79 -10.611 -29.148 3.928 526 HD3 PRO 79 2HD PRO 79 -11.385 -30.594 4.608 527 H SER 80 H SER 80 -8.014 -33.197 0.984 528 HA SER 80 HA SER 80 -6.793 -30.845 -0.292 529 HB2 SER 80 1HB SER 80 -5.737 -33.680 -0.176 530 HB3 SER 80 2HB SER 80 -4.889 -32.271 -0.811 531 HG SER 80 HG SER 80 -4.882 -31.400 1.278 532 H SER 81 H SER 81 -8.200 -30.448 -1.956 533 HA SER 81 HA SER 81 -9.374 -32.418 -3.594 534 HB2 SER 81 1HB SER 81 -9.945 -29.876 -3.288 535 HB3 SER 81 2HB SER 81 -8.813 -29.658 -4.623 536 HG SER 81 HG SER 81 -11.253 -31.074 -4.583 537 H GLY 82 H GLY 82 -8.522 -33.643 -5.136 538 HA2 GLY 82 1HA GLY 82 -7.277 -33.648 -7.265 539 HA3 GLY 82 2HA GLY 82 -6.041 -32.709 -6.442 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -24.376 0.500 -18.983 2 HA2 GLY 1 1HA GLY 1 -24.204 2.778 -19.288 3 HA3 GLY 1 2HA GLY 1 -24.819 2.991 -17.655 4 H SER 2 H SER 2 -22.432 4.014 -19.384 5 HA SER 2 HA SER 2 -20.698 4.522 -17.214 6 HB2 SER 2 1HB SER 2 -18.704 3.275 -18.048 7 HB3 SER 2 2HB SER 2 -19.995 2.217 -17.479 8 HG SER 2 HG SER 2 -19.037 1.617 -19.535 9 H SER 3 H SER 3 -18.700 5.679 -17.924 10 HA SER 3 HA SER 3 -19.144 7.021 -20.511 11 HB2 SER 3 1HB SER 3 -18.111 9.046 -19.439 12 HB3 SER 3 2HB SER 3 -19.664 8.578 -18.748 13 HG SER 3 HG SER 3 -18.287 8.957 -17.056 14 H GLY 4 H GLY 4 -16.645 6.338 -18.060 15 HA2 GLY 4 1HA GLY 4 -14.660 5.101 -18.738 16 HA3 GLY 4 2HA GLY 4 -14.744 5.935 -20.283 17 H SER 5 H SER 5 -15.022 7.247 -16.999 18 HA SER 5 HA SER 5 -12.765 9.025 -17.627 19 HB2 SER 5 1HB SER 5 -15.209 9.351 -15.914 20 HB3 SER 5 2HB SER 5 -13.773 10.326 -15.598 21 HG SER 5 HG SER 5 -14.362 11.532 -17.200 22 H SER 6 H SER 6 -10.969 8.032 -16.899 23 HA SER 6 HA SER 6 -10.646 7.734 -14.051 24 HB2 SER 6 1HB SER 6 -10.266 5.303 -15.815 25 HB3 SER 6 2HB SER 6 -9.985 5.393 -14.077 26 HG SER 6 HG SER 6 -12.277 5.952 -13.925 27 H GLY 7 H GLY 7 -8.480 7.700 -13.402 28 HA2 GLY 7 1HA GLY 7 -6.128 7.306 -14.114 29 HA3 GLY 7 2HA GLY 7 -6.546 8.164 -15.589 30 H GLN 8 H GLN 8 -4.956 8.479 -12.763 31 HA GLN 8 HA GLN 8 -5.084 11.391 -12.909 32 HB2 GLN 8 1HB GLN 8 -5.905 9.741 -10.577 33 HB3 GLN 8 2HB GLN 8 -4.971 11.193 -10.245 34 HG2 GLN 8 1HG GLN 8 -6.622 12.597 -11.003 35 HG3 GLN 8 2HG GLN 8 -7.345 11.364 -12.035 36 HE21 GLN 8 1HE2 GLN 8 -9.110 10.396 -11.326 37 HE22 GLN 8 2HE2 GLN 8 -9.683 10.404 -9.696 38 H HIS 9 H HIS 9 -3.121 12.280 -12.799 39 HA HIS 9 HA HIS 9 -0.990 11.044 -11.284 40 HB2 HIS 9 1HB HIS 9 0.485 10.583 -13.048 41 HB3 HIS 9 2HB HIS 9 -1.062 9.974 -13.630 42 HD1 HIS 9 1HD HIS 9 1.712 11.867 -14.751 43 HD2 HIS 9 2HD HIS 9 -2.399 12.159 -15.279 44 HE1 HIS 9 1HE HIS 9 1.397 13.284 -16.804 45 H GLN 10 H GLN 10 1.030 12.387 -11.383 46 HA GLN 10 HA GLN 10 0.285 15.225 -11.568 47 HB2 GLN 10 1HB GLN 10 1.016 14.253 -9.342 48 HB3 GLN 10 2HB GLN 10 2.618 14.069 -10.045 49 HG2 GLN 10 1HG GLN 10 3.018 16.320 -10.080 50 HG3 GLN 10 2HG GLN 10 1.306 16.734 -10.161 51 HE21 GLN 10 1HE2 GLN 10 3.959 16.756 -8.231 52 HE22 GLN 10 2HE2 GLN 10 3.194 16.822 -6.684 53 H GLU 11 H GLU 11 1.340 16.568 -12.907 54 HA GLU 11 HA GLU 11 2.763 15.734 -15.084 55 HB2 GLU 11 1HB GLU 11 1.859 17.976 -14.935 56 HB3 GLU 11 2HB GLU 11 2.974 18.378 -13.637 57 HG2 GLU 11 1HG GLU 11 4.832 17.892 -15.312 58 HG3 GLU 11 2HG GLU 11 3.569 17.943 -16.541 59 H ALA 12 H ALA 12 4.206 17.144 -12.142 60 HA ALA 12 HA ALA 12 6.658 15.621 -12.736 61 HB1 ALA 12 1HB ALA 12 8.025 17.412 -12.388 62 HB2 ALA 12 2HB ALA 12 6.618 18.247 -13.049 63 HB3 ALA 12 3HB ALA 12 6.886 18.215 -11.307 64 H GLY 13 H GLY 13 5.733 14.015 -11.290 65 HA2 GLY 13 1HA GLY 13 5.428 14.753 -8.495 66 HA3 GLY 13 2HA GLY 13 5.156 13.163 -9.191 67 H ALA 14 H ALA 14 6.429 13.186 -6.862 68 HA ALA 14 HA ALA 14 9.300 13.008 -7.460 69 HB1 ALA 14 1HB ALA 14 9.315 12.737 -4.837 70 HB2 ALA 14 2HB ALA 14 9.195 14.325 -5.596 71 HB3 ALA 14 3HB ALA 14 7.746 13.531 -4.980 72 H GLY 15 H GLY 15 6.916 11.260 -5.449 73 HA2 GLY 15 1HA GLY 15 6.517 8.886 -5.998 74 HA3 GLY 15 2HA GLY 15 8.247 8.754 -6.278 75 H ASP 16 H ASP 16 8.970 10.364 -3.967 76 HA ASP 16 HA ASP 16 8.900 8.266 -2.001 77 HB2 ASP 16 1HB ASP 16 10.135 11.021 -2.025 78 HB3 ASP 16 2HB ASP 16 10.240 9.937 -0.640 79 H LEU 17 H LEU 17 6.326 8.979 -2.413 80 HA LEU 17 HA LEU 17 5.635 10.338 0.102 81 HB2 LEU 17 1HB LEU 17 4.004 10.581 -2.411 82 HB3 LEU 17 2HB LEU 17 3.824 11.484 -0.908 83 HG LEU 17 HG LEU 17 6.221 11.742 -2.715 84 HD11 LEU 17 1HD1 LEU 17 4.910 14.044 -3.082 85 HD12 LEU 17 2HD1 LEU 17 3.534 12.961 -2.875 86 HD13 LEU 17 3HD1 LEU 17 4.720 12.647 -4.143 87 HD21 LEU 17 1HD2 LEU 17 5.152 13.405 -0.438 88 HD22 LEU 17 2HD2 LEU 17 6.500 13.866 -1.478 89 HD23 LEU 17 3HD2 LEU 17 6.630 12.442 -0.445 90 H CYS 18 H CYS 18 4.186 9.305 1.348 91 HA CYS 18 HA CYS 18 3.611 6.719 1.341 92 HB2 CYS 18 1HB CYS 18 2.813 8.383 3.036 93 HB3 CYS 18 2HB CYS 18 1.472 8.765 1.960 94 H ALA 19 H ALA 19 2.545 5.243 0.178 95 HA ALA 19 HA ALA 19 1.160 6.111 -2.224 96 HB1 ALA 19 1HB ALA 19 1.365 3.233 -1.553 97 HB2 ALA 19 2HB ALA 19 1.608 4.062 -3.092 98 HB3 ALA 19 3HB ALA 19 2.870 4.102 -1.861 99 H LEU 20 H LEU 20 0.222 5.797 0.853 100 HA LEU 20 HA LEU 20 -2.346 4.510 0.253 101 HB2 LEU 20 1HB LEU 20 -0.788 5.004 2.739 102 HB3 LEU 20 2HB LEU 20 -2.543 4.898 2.857 103 HG LEU 20 HG LEU 20 -1.019 2.716 1.498 104 HD11 LEU 20 1HD1 LEU 20 -0.420 1.657 3.458 105 HD12 LEU 20 2HD1 LEU 20 -1.537 2.607 4.438 106 HD13 LEU 20 3HD1 LEU 20 -0.056 3.343 3.826 107 HD21 LEU 20 1HD2 LEU 20 -3.595 3.021 1.635 108 HD22 LEU 20 2HD2 LEU 20 -3.397 2.441 3.289 109 HD23 LEU 20 3HD2 LEU 20 -2.889 1.432 1.934 110 H CYS 21 H CYS 21 -1.026 7.428 1.803 111 HA CYS 21 HA CYS 21 -3.637 8.730 1.444 112 HB2 CYS 21 1HB CYS 21 -2.785 10.410 3.068 113 HB3 CYS 21 2HB CYS 21 -2.852 8.781 3.733 114 H GLY 22 H GLY 22 -0.172 9.130 0.855 115 HA2 GLY 22 1HA GLY 22 0.659 10.092 -1.161 116 HA3 GLY 22 2HA GLY 22 -0.841 10.995 -1.313 117 H GLU 23 H GLU 23 1.150 10.742 1.587 118 HA GLU 23 HA GLU 23 1.637 13.641 1.393 119 HB2 GLU 23 1HB GLU 23 1.265 11.859 3.799 120 HB3 GLU 23 2HB GLU 23 1.896 13.496 3.914 121 HG2 GLU 23 1HG GLU 23 -0.253 14.164 2.650 122 HG3 GLU 23 2HG GLU 23 -0.844 12.582 3.154 123 H HIS 24 H HIS 24 3.588 14.199 2.982 124 HA HIS 24 HA HIS 24 5.909 13.226 1.733 125 HB2 HIS 24 1HB HIS 24 5.426 15.416 3.151 126 HB3 HIS 24 2HB HIS 24 6.084 14.434 4.457 127 HD1 HIS 24 1HD HIS 24 8.566 13.439 3.949 128 HD2 HIS 24 2HD HIS 24 7.303 16.630 1.608 129 HE1 HIS 24 1HE HIS 24 10.657 14.391 2.925 130 H LEU 25 H LEU 25 7.653 11.994 2.607 131 HA LEU 25 HA LEU 25 6.840 10.121 4.731 132 HB2 LEU 25 1HB LEU 25 8.205 9.617 2.113 133 HB3 LEU 25 2HB LEU 25 8.425 8.515 3.471 134 HG LEU 25 HG LEU 25 5.675 9.200 2.497 135 HD11 LEU 25 1HD1 LEU 25 6.892 8.495 0.517 136 HD12 LEU 25 2HD1 LEU 25 5.764 7.241 1.029 137 HD13 LEU 25 3HD1 LEU 25 7.486 7.070 1.369 138 HD21 LEU 25 1HD2 LEU 25 4.998 7.455 3.766 139 HD22 LEU 25 2HD2 LEU 25 6.482 7.819 4.648 140 HD23 LEU 25 3HD2 LEU 25 6.460 6.518 3.456 141 H TYR 26 H TYR 26 8.852 8.907 5.594 142 HA TYR 26 HA TYR 26 11.098 10.793 5.859 143 HB2 TYR 26 1HB TYR 26 9.395 10.549 7.854 144 HB3 TYR 26 2HB TYR 26 10.295 9.070 8.170 145 HD1 TYR 26 1HD TYR 26 11.279 12.530 7.137 146 HD2 TYR 26 2HD TYR 26 11.760 9.350 9.923 147 HE1 TYR 26 1HE TYR 26 12.996 13.835 8.321 148 HE2 TYR 26 2HE TYR 26 13.478 10.646 11.115 149 HH TYR 26 HH TYR 26 14.929 12.446 10.864 150 H VAL 27 H VAL 27 13.144 9.849 6.331 151 HA VAL 27 HA VAL 27 13.757 7.556 4.875 152 HB VAL 27 HB VAL 27 15.390 9.324 5.544 153 HG11 VAL 27 1HG1 VAL 27 14.531 8.744 8.109 154 HG12 VAL 27 2HG1 VAL 27 16.151 8.048 8.036 155 HG13 VAL 27 3HG1 VAL 27 15.906 9.756 7.669 156 HG21 VAL 27 1HG2 VAL 27 15.785 6.486 5.383 157 HG22 VAL 27 2HG2 VAL 27 16.815 7.791 4.794 158 HG23 VAL 27 3HG2 VAL 27 16.993 7.205 6.447 159 H LEU 28 H LEU 28 12.400 7.842 7.984 160 HA LEU 28 HA LEU 28 13.105 5.060 8.634 161 HB2 LEU 28 1HB LEU 28 12.188 7.331 10.385 162 HB3 LEU 28 2HB LEU 28 12.333 5.665 10.942 163 HG LEU 28 HG LEU 28 14.672 7.173 9.807 164 HD11 LEU 28 1HD1 LEU 28 13.330 7.996 12.049 165 HD12 LEU 28 2HD1 LEU 28 15.032 8.295 11.702 166 HD13 LEU 28 3HD1 LEU 28 14.566 6.925 12.710 167 HD21 LEU 28 1HD2 LEU 28 15.214 5.258 11.876 168 HD22 LEU 28 2HD2 LEU 28 15.793 5.300 10.211 169 HD23 LEU 28 3HD2 LEU 28 14.259 4.516 10.592 170 H GLU 29 H GLU 29 10.377 7.322 9.073 171 HA GLU 29 HA GLU 29 8.382 5.531 9.624 172 HB2 GLU 29 1HB GLU 29 8.059 7.941 7.831 173 HB3 GLU 29 2HB GLU 29 6.804 7.165 8.788 174 HG2 GLU 29 1HG GLU 29 8.137 7.765 10.830 175 HG3 GLU 29 2HG GLU 29 9.163 8.740 9.779 176 H ARG 30 H ARG 30 9.224 6.711 6.364 177 HA ARG 30 HA ARG 30 7.551 5.425 4.741 178 HB2 ARG 30 1HB ARG 30 9.208 5.382 3.056 179 HB3 ARG 30 2HB ARG 30 9.638 6.729 4.102 180 HG2 ARG 30 1HG ARG 30 11.415 5.530 5.083 181 HG3 ARG 30 2HG ARG 30 10.859 4.002 4.397 182 HD2 ARG 30 1HD ARG 30 12.827 4.974 3.230 183 HD3 ARG 30 2HD ARG 30 11.432 4.717 2.183 184 HE ARG 30 HE ARG 30 11.130 7.282 2.935 185 HH11 ARG 30 2HH1 ARG 30 13.837 5.512 1.647 186 HH12 ARG 30 1HH1 ARG 30 14.522 6.887 0.846 187 HH21 ARG 30 2HH2 ARG 30 12.022 9.100 1.885 188 HH22 ARG 30 1HH2 ARG 30 13.489 8.927 0.983 189 H LEU 31 H LEU 31 7.022 3.405 4.091 190 HA LEU 31 HA LEU 31 8.382 1.182 5.454 191 HB2 LEU 31 1HB LEU 31 5.578 1.716 4.674 192 HB3 LEU 31 2HB LEU 31 6.133 0.048 4.546 193 HG LEU 31 HG LEU 31 6.643 1.460 7.106 194 HD11 LEU 31 1HD1 LEU 31 4.434 2.186 6.889 195 HD12 LEU 31 2HD1 LEU 31 4.309 0.695 7.822 196 HD13 LEU 31 3HD1 LEU 31 3.923 0.693 6.102 197 HD21 LEU 31 1HD2 LEU 31 7.032 -0.617 7.785 198 HD22 LEU 31 2HD2 LEU 31 6.810 -1.153 6.119 199 HD23 LEU 31 3HD2 LEU 31 5.443 -1.150 7.235 200 H CYS 32 H CYS 32 9.999 0.663 4.041 201 HA CYS 32 HA CYS 32 9.701 0.555 1.230 202 HB2 CYS 32 1HB CYS 32 11.735 -1.003 2.822 203 HB3 CYS 32 2HB CYS 32 11.884 -0.387 1.180 204 HG CYS 32 HG CYS 32 12.336 1.207 4.116 205 H VAL 33 H VAL 33 7.875 -0.666 0.741 206 HA VAL 33 HA VAL 33 8.246 -3.569 1.038 207 HB VAL 33 HB VAL 33 5.494 -2.383 1.119 208 HG11 VAL 33 1HG1 VAL 33 6.729 -4.971 2.042 209 HG12 VAL 33 2HG1 VAL 33 5.065 -4.497 2.392 210 HG13 VAL 33 3HG1 VAL 33 5.583 -4.735 0.723 211 HG21 VAL 33 1HG2 VAL 33 7.493 -2.475 3.323 212 HG22 VAL 33 2HG2 VAL 33 6.249 -1.273 2.977 213 HG23 VAL 33 3HG2 VAL 33 5.805 -2.821 3.696 214 H ASN 34 H ASN 34 8.533 -4.349 -0.940 215 HA ASN 34 HA ASN 34 8.271 -4.778 -3.158 216 HB2 ASN 34 1HB ASN 34 5.532 -3.657 -2.554 217 HB3 ASN 34 2HB ASN 34 5.970 -4.325 -4.123 218 HD21 ASN 34 1HD2 ASN 34 3.904 -5.373 -2.676 219 HD22 ASN 34 2HD2 ASN 34 4.329 -6.950 -2.112 220 H GLY 35 H GLY 35 9.398 -2.233 -2.279 221 HA2 GLY 35 1HA GLY 35 10.394 -0.540 -3.546 222 HA3 GLY 35 2HA GLY 35 9.251 -0.866 -4.840 223 H HIS 36 H HIS 36 6.942 -0.708 -3.016 224 HA HIS 36 HA HIS 36 6.598 2.158 -3.146 225 HB2 HIS 36 1HB HIS 36 4.711 -0.036 -2.262 226 HB3 HIS 36 2HB HIS 36 4.271 1.660 -2.436 227 HD1 HIS 36 1HD HIS 36 4.472 2.623 -4.951 228 HD2 HIS 36 2HD HIS 36 4.489 -1.511 -4.542 229 HE1 HIS 36 1HE HIS 36 3.946 1.719 -7.238 230 H PHE 37 H PHE 37 6.438 3.564 -1.467 231 HA PHE 37 HA PHE 37 7.126 2.500 1.186 232 HB2 PHE 37 1HB PHE 37 7.517 5.254 -0.001 233 HB3 PHE 37 2HB PHE 37 7.869 4.843 1.674 234 HD1 PHE 37 2HD PHE 37 8.627 1.975 -0.026 235 HD2 PHE 37 1HD PHE 37 10.060 5.952 0.468 236 HE1 PHE 37 2HE PHE 37 10.882 1.241 -0.683 237 HE2 PHE 37 1HE PHE 37 12.317 5.225 -0.189 238 HZ PHE 37 HZ PHE 37 12.731 2.866 -0.764 239 H PHE 38 H PHE 38 5.813 2.800 2.892 240 HA PHE 38 HA PHE 38 3.538 4.635 2.611 241 HB2 PHE 38 1HB PHE 38 3.198 1.925 3.871 242 HB3 PHE 38 2HB PHE 38 1.956 3.035 3.299 243 HD1 PHE 38 1HD PHE 38 4.830 1.036 2.021 244 HD2 PHE 38 2HD PHE 38 0.954 2.625 1.271 245 HE1 PHE 38 1HE PHE 38 4.760 -0.160 -0.128 246 HE2 PHE 38 2HE PHE 38 0.877 1.432 -0.879 247 HZ PHE 38 HZ PHE 38 2.781 0.037 -1.581 248 H HIS 39 H HIS 39 2.505 5.161 4.686 249 HA HIS 39 HA HIS 39 4.487 5.718 6.679 250 HB2 HIS 39 1HB HIS 39 1.551 6.301 6.408 251 HB3 HIS 39 2HB HIS 39 2.392 6.613 7.923 252 HD2 HIS 39 2HD HIS 39 5.105 7.994 6.744 253 HE1 HIS 39 1HE HIS 39 2.429 10.670 4.827 254 HE2 HIS 39 2HE HIS 39 4.819 10.240 5.494 255 H ARG 40 H ARG 40 4.689 4.885 8.727 256 HA ARG 40 HA ARG 40 4.063 2.195 9.136 257 HB2 ARG 40 1HB ARG 40 4.798 4.343 11.130 258 HB3 ARG 40 2HB ARG 40 4.722 2.628 11.512 259 HG2 ARG 40 1HG ARG 40 6.425 2.275 9.680 260 HG3 ARG 40 2HG ARG 40 6.619 4.029 9.654 261 HD2 ARG 40 1HD ARG 40 6.865 2.461 12.200 262 HD3 ARG 40 2HD ARG 40 8.231 2.648 11.101 263 HE ARG 40 HE ARG 40 7.001 5.143 11.770 264 HH11 ARG 40 2HH1 ARG 40 9.269 2.729 12.842 265 HH12 ARG 40 1HH1 ARG 40 10.171 3.828 13.832 266 HH21 ARG 40 2HH2 ARG 40 8.179 6.600 13.071 267 HH22 ARG 40 1HH2 ARG 40 9.549 6.030 13.962 268 H SER 41 H SER 41 2.202 5.041 9.683 269 HA SER 41 HA SER 41 0.359 3.748 11.513 270 HB2 SER 41 1HB SER 41 1.020 6.230 11.571 271 HB3 SER 41 2HB SER 41 -0.053 6.424 10.185 272 HG SER 41 HG SER 41 -0.786 6.549 12.625 273 H CYS 42 H CYS 42 0.328 4.994 8.189 274 HA CYS 42 HA CYS 42 -2.342 4.307 7.611 275 HB2 CYS 42 1HB CYS 42 0.044 4.662 5.787 276 HB3 CYS 42 2HB CYS 42 -1.613 4.479 5.220 277 H PHE 43 H PHE 43 0.707 2.582 7.032 278 HA PHE 43 HA PHE 43 -0.481 0.340 5.774 279 HB2 PHE 43 1HB PHE 43 1.998 1.106 5.788 280 HB3 PHE 43 2HB PHE 43 2.108 0.202 7.295 281 HD1 PHE 43 1HD PHE 43 0.879 -2.228 7.048 282 HD2 PHE 43 2HD PHE 43 2.754 -0.003 3.942 283 HE1 PHE 43 1HE PHE 43 1.230 -4.305 5.777 284 HE2 PHE 43 2HE PHE 43 3.108 -2.076 2.666 285 HZ PHE 43 HZ PHE 43 2.345 -4.231 3.582 286 H ARG 44 H ARG 44 -2.193 -0.417 6.998 287 HA ARG 44 HA ARG 44 -1.430 -1.777 9.495 288 HB2 ARG 44 1HB ARG 44 -4.063 -0.394 8.947 289 HB3 ARG 44 2HB ARG 44 -3.651 -1.283 10.407 290 HG2 ARG 44 1HG ARG 44 -2.055 0.338 11.056 291 HG3 ARG 44 2HG ARG 44 -2.116 1.127 9.479 292 HD2 ARG 44 1HD ARG 44 -4.325 1.925 9.878 293 HD3 ARG 44 2HD ARG 44 -4.484 0.935 11.328 294 HE ARG 44 HE ARG 44 -2.408 2.487 11.969 295 HH11 ARG 44 2HH1 ARG 44 -5.503 3.254 10.571 296 HH12 ARG 44 1HH1 ARG 44 -5.571 4.839 11.269 297 HH21 ARG 44 2HH2 ARG 44 -2.486 4.571 12.893 298 HH22 ARG 44 1HH2 ARG 44 -3.855 5.587 12.588 299 H CYS 45 H CYS 45 -3.363 -3.358 10.090 300 HA CYS 45 HA CYS 45 -3.340 -5.401 8.178 301 HB2 CYS 45 1HB CYS 45 -3.730 -5.671 10.649 302 HB3 CYS 45 2HB CYS 45 -5.365 -5.070 10.397 303 H HIS 46 H HIS 46 -5.293 -6.424 7.203 304 HA HIS 46 HA HIS 46 -6.968 -4.346 5.981 305 HB2 HIS 46 1HB HIS 46 -5.714 -5.646 4.376 306 HB3 HIS 46 2HB HIS 46 -6.297 -7.152 5.077 307 HD1 HIS 46 1HD HIS 46 -7.184 -4.503 2.664 308 HD2 HIS 46 2HD HIS 46 -9.036 -7.737 4.501 309 HE1 HIS 46 1HE HIS 46 -9.292 -4.905 1.353 310 H THR 47 H THR 47 -7.135 -6.440 8.470 311 HA THR 47 HA THR 47 -10.027 -6.884 8.100 312 HB THR 47 HB THR 47 -7.968 -8.643 9.417 313 HG1 THR 47 1HG THR 47 -9.986 -9.056 7.445 314 HG21 THR 47 1HG2 THR 47 -9.867 -8.356 10.975 315 HG22 THR 47 2HG2 THR 47 -9.762 -9.997 10.336 316 HG23 THR 47 3HG2 THR 47 -10.966 -8.877 9.699 317 H CYS 48 H CYS 48 -7.444 -6.092 10.365 318 HA CYS 48 HA CYS 48 -9.481 -5.048 12.222 319 HB2 CYS 48 1HB CYS 48 -7.797 -5.388 14.022 320 HB3 CYS 48 2HB CYS 48 -8.295 -6.890 13.248 321 H GLU 49 H GLU 49 -7.151 -4.185 10.035 322 HA GLU 49 HA GLU 49 -5.958 -2.292 9.601 323 HB2 GLU 49 1HB GLU 49 -8.119 -1.022 11.291 324 HB3 GLU 49 2HB GLU 49 -7.069 -0.183 10.158 325 HG2 GLU 49 1HG GLU 49 -8.036 -1.442 8.311 326 HG3 GLU 49 2HG GLU 49 -9.077 -2.307 9.440 327 H ALA 50 H ALA 50 -4.782 -3.713 11.582 328 HA ALA 50 HA ALA 50 -4.150 -1.846 13.744 329 HB1 ALA 50 1HB ALA 50 -3.698 -4.778 13.340 330 HB2 ALA 50 2HB ALA 50 -2.785 -3.882 14.555 331 HB3 ALA 50 3HB ALA 50 -4.545 -3.948 14.646 332 H THR 51 H THR 51 -2.064 -1.124 14.168 333 HA THR 51 HA THR 51 -0.467 -0.436 12.006 334 HB THR 51 HB THR 51 0.429 -0.710 14.882 335 HG1 THR 51 1HG THR 51 -0.043 1.801 14.244 336 HG21 THR 51 1HG2 THR 51 2.399 -0.378 13.715 337 HG22 THR 51 2HG2 THR 51 1.902 1.281 14.046 338 HG23 THR 51 3HG2 THR 51 1.614 0.575 12.457 339 H LEU 52 H LEU 52 0.244 -2.021 10.668 340 HA LEU 52 HA LEU 52 1.315 -4.498 11.604 341 HB2 LEU 52 1HB LEU 52 1.497 -3.210 8.884 342 HB3 LEU 52 2HB LEU 52 1.901 -4.884 9.257 343 HG LEU 52 HG LEU 52 -0.852 -3.672 9.498 344 HD11 LEU 52 1HD1 LEU 52 -0.413 -3.757 7.200 345 HD12 LEU 52 2HD1 LEU 52 -1.280 -5.254 7.543 346 HD13 LEU 52 3HD1 LEU 52 0.471 -5.278 7.335 347 HD21 LEU 52 1HD2 LEU 52 -0.224 -5.609 11.014 348 HD22 LEU 52 2HD2 LEU 52 -0.089 -6.579 9.547 349 HD23 LEU 52 3HD2 LEU 52 -1.632 -5.841 9.977 350 H TRP 53 H TRP 53 3.097 -4.293 12.860 351 HA TRP 53 HA TRP 53 5.208 -2.458 12.316 352 HB2 TRP 53 1HB TRP 53 5.664 -4.879 14.003 353 HB3 TRP 53 2HB TRP 53 6.175 -3.215 14.268 354 HD1 TRP 53 HD TRP 53 3.085 -5.477 14.646 355 HE1 TRP 53 1HE TRP 53 1.504 -4.405 16.371 356 HE3 TRP 53 3HE TRP 53 5.548 -1.055 15.366 357 HZ2 TRP 53 2HZ TRP 53 1.325 -2.002 17.842 358 HZ3 TRP 53 3HZ TRP 53 4.605 0.576 16.949 359 HH2 TRP 53 HH TRP 53 2.537 0.110 18.160 360 HA PRO 54 HA PRO 54 7.717 -4.678 9.481 361 HB2 PRO 54 1HB PRO 54 10.211 -3.999 10.310 362 HB3 PRO 54 2HB PRO 54 9.131 -2.867 9.487 363 HG2 PRO 54 1HG PRO 54 9.700 -3.155 12.412 364 HG3 PRO 54 2HG PRO 54 9.550 -1.678 11.441 365 HD2 PRO 54 1HD PRO 54 7.545 -2.600 13.010 366 HD3 PRO 54 2HD PRO 54 7.247 -1.728 11.493 367 H GLY 55 H GLY 55 7.113 -5.853 12.355 368 HA2 GLY 55 1HA GLY 55 8.851 -8.168 11.961 369 HA3 GLY 55 2HA GLY 55 8.960 -7.348 13.512 370 H GLY 56 H GLY 56 5.997 -7.730 11.653 371 HA2 GLY 56 1HA GLY 56 5.057 -10.050 12.974 372 HA3 GLY 56 2HA GLY 56 4.473 -8.619 13.811 373 H TYR 57 H TYR 57 4.924 -9.369 10.359 374 HA TYR 57 HA TYR 57 2.082 -9.408 9.893 375 HB2 TYR 57 1HB TYR 57 1.818 -7.431 8.716 376 HB3 TYR 57 2HB TYR 57 2.925 -6.929 9.989 377 HD1 TYR 57 2HD TYR 57 5.406 -6.824 9.448 378 HD2 TYR 57 1HD TYR 57 2.408 -7.210 6.453 379 HE1 TYR 57 2HE TYR 57 7.006 -6.038 7.753 380 HE2 TYR 57 1HE TYR 57 4.000 -6.426 4.750 381 HH TYR 57 HH TYR 57 7.254 -5.354 5.632 382 H GLU 58 H GLU 58 1.554 -9.877 7.637 383 HA GLU 58 HA GLU 58 3.740 -10.700 5.914 384 HB2 GLU 58 1HB GLU 58 1.977 -12.601 7.367 385 HB3 GLU 58 2HB GLU 58 2.336 -12.967 5.685 386 HG2 GLU 58 1HG GLU 58 4.550 -12.309 7.574 387 HG3 GLU 58 2HG GLU 58 3.838 -13.921 7.568 388 H GLN 59 H GLN 59 3.070 -11.169 3.749 389 HA GLN 59 HA GLN 59 0.447 -10.000 3.106 390 HB2 GLN 59 1HB GLN 59 2.258 -8.685 2.207 391 HB3 GLN 59 2HB GLN 59 2.999 -10.112 1.495 392 HG2 GLN 59 1HG GLN 59 0.702 -10.281 0.237 393 HG3 GLN 59 2HG GLN 59 0.629 -8.558 0.603 394 HE21 GLN 59 1HE2 GLN 59 0.619 -8.927 -1.918 395 HE22 GLN 59 2HE2 GLN 59 2.161 -8.705 -2.665 396 H HIS 60 H HIS 60 -1.008 -11.528 2.699 397 HA HIS 60 HA HIS 60 -0.356 -14.165 1.881 398 HB2 HIS 60 1HB HIS 60 -2.455 -13.287 3.140 399 HB3 HIS 60 2HB HIS 60 -3.086 -12.960 1.529 400 HD1 HIS 60 1HD HIS 60 -3.890 -14.942 0.158 401 HD2 HIS 60 2HD HIS 60 -2.105 -16.045 3.743 402 HE1 HIS 60 1HE HIS 60 -4.385 -17.393 0.429 403 HA PRO 61 HA PRO 61 0.140 -13.306 -2.454 404 HB2 PRO 61 1HB PRO 61 0.490 -15.887 -3.220 405 HB3 PRO 61 2HB PRO 61 1.756 -14.939 -2.431 406 HG2 PRO 61 1HG PRO 61 -0.115 -16.957 -1.251 407 HG3 PRO 61 2HG PRO 61 1.621 -16.739 -0.964 408 HD2 PRO 61 1HD PRO 61 -0.265 -15.826 0.752 409 HD3 PRO 61 2HD PRO 61 1.287 -14.998 0.511 410 H GLY 62 H GLY 62 -2.016 -15.859 -1.251 411 HA2 GLY 62 1HA GLY 62 -3.487 -16.558 -3.402 412 HA3 GLY 62 2HA GLY 62 -4.219 -16.278 -1.828 413 H ASP 63 H ASP 63 -4.135 -13.625 -1.484 414 HA ASP 63 HA ASP 63 -5.880 -12.666 -3.634 415 HB2 ASP 63 1HB ASP 63 -5.470 -11.622 -0.823 416 HB3 ASP 63 2HB ASP 63 -6.606 -10.960 -1.995 417 H GLY 64 H GLY 64 -3.231 -11.470 -1.565 418 HA2 GLY 64 1HA GLY 64 -1.315 -10.425 -2.674 419 HA3 GLY 64 2HA GLY 64 -2.455 -9.698 -3.797 420 H HIS 65 H HIS 65 -2.877 -9.907 -0.308 421 HA HIS 65 HA HIS 65 -2.524 -6.986 -0.151 422 HB2 HIS 65 1HB HIS 65 -4.635 -8.655 1.231 423 HB3 HIS 65 2HB HIS 65 -4.363 -6.938 1.510 424 HD1 HIS 65 1HD HIS 65 -5.556 -5.349 -0.004 425 HD2 HIS 65 2HD HIS 65 -5.558 -9.237 -1.471 426 HE1 HIS 65 1HE HIS 65 -7.068 -5.309 -2.013 427 H PHE 66 H PHE 66 -2.556 -6.402 2.370 428 HA PHE 66 HA PHE 66 -0.537 -8.154 3.607 429 HB2 PHE 66 1HB PHE 66 -0.913 -5.166 3.704 430 HB3 PHE 66 2HB PHE 66 0.077 -6.016 4.886 431 HD1 PHE 66 1HD PHE 66 2.169 -7.067 4.235 432 HD2 PHE 66 2HD PHE 66 -0.192 -4.908 1.427 433 HE1 PHE 66 1HE PHE 66 4.084 -6.986 2.692 434 HE2 PHE 66 2HE PHE 66 1.719 -4.825 -0.120 435 HZ PHE 66 HZ PHE 66 3.860 -5.865 0.511 436 H TYR 67 H TYR 67 -1.109 -9.169 5.405 437 HA TYR 67 HA TYR 67 -3.209 -7.987 7.094 438 HB2 TYR 67 1HB TYR 67 -2.926 -10.946 6.558 439 HB3 TYR 67 2HB TYR 67 -4.213 -10.141 7.448 440 HD1 TYR 67 2HD TYR 67 -2.812 -10.772 4.104 441 HD2 TYR 67 1HD TYR 67 -6.039 -9.082 6.303 442 HE1 TYR 67 2HE TYR 67 -4.123 -10.594 2.031 443 HE2 TYR 67 1HE TYR 67 -7.359 -8.900 4.236 444 HH TYR 67 HH TYR 67 -7.147 -10.390 1.781 445 H CYS 68 H CYS 68 -3.206 -8.846 9.328 446 HA CYS 68 HA CYS 68 -0.549 -8.801 10.390 447 HB2 CYS 68 1HB CYS 68 -1.621 -8.881 12.569 448 HB3 CYS 68 2HB CYS 68 -2.467 -7.733 11.536 449 H LEU 69 H LEU 69 -0.008 -10.437 12.198 450 HA LEU 69 HA LEU 69 0.050 -13.042 10.969 451 HB2 LEU 69 1HB LEU 69 1.096 -12.274 13.683 452 HB3 LEU 69 2HB LEU 69 1.579 -13.649 12.692 453 HG LEU 69 HG LEU 69 2.178 -10.740 12.164 454 HD11 LEU 69 1HD1 LEU 69 3.711 -13.040 13.262 455 HD12 LEU 69 2HD1 LEU 69 3.732 -11.339 13.728 456 HD13 LEU 69 3HD1 LEU 69 4.556 -11.860 12.259 457 HD21 LEU 69 1HD2 LEU 69 3.272 -11.381 10.176 458 HD22 LEU 69 2HD2 LEU 69 1.688 -12.155 10.121 459 HD23 LEU 69 3HD2 LEU 69 3.116 -13.098 10.551 460 H GLN 70 H GLN 70 -2.429 -11.735 12.293 461 HA GLN 70 HA GLN 70 -3.187 -14.121 13.843 462 HB2 GLN 70 1HB GLN 70 -2.911 -12.218 15.352 463 HB3 GLN 70 2HB GLN 70 -4.011 -11.261 14.370 464 HG2 GLN 70 1HG GLN 70 -5.828 -12.811 14.901 465 HG3 GLN 70 2HG GLN 70 -4.723 -13.752 15.901 466 HE21 GLN 70 1HE2 GLN 70 -7.136 -11.639 16.086 467 HE22 GLN 70 2HE2 GLN 70 -6.731 -10.810 17.546 468 H HIS 71 H HIS 71 -3.790 -12.159 11.187 469 HA HIS 71 HA HIS 71 -6.480 -13.321 10.874 470 HB2 HIS 71 1HB HIS 71 -5.489 -10.555 10.269 471 HB3 HIS 71 2HB HIS 71 -6.823 -11.233 9.340 472 HD2 HIS 71 2HD HIS 71 -7.631 -12.634 12.581 473 HE1 HIS 71 1HE HIS 71 -9.100 -8.664 12.866 474 HE2 HIS 71 2HE HIS 71 -9.074 -10.953 13.917 475 H LEU 72 H LEU 72 -3.350 -12.844 9.579 476 HA LEU 72 HA LEU 72 -3.681 -13.044 6.856 477 HB2 LEU 72 1HB LEU 72 -1.527 -12.764 8.057 478 HB3 LEU 72 2HB LEU 72 -1.579 -14.476 8.475 479 HG LEU 72 HG LEU 72 -1.758 -14.688 5.815 480 HD11 LEU 72 1HD1 LEU 72 -1.147 -12.900 4.653 481 HD12 LEU 72 2HD1 LEU 72 0.283 -12.663 5.657 482 HD13 LEU 72 3HD1 LEU 72 -1.261 -11.963 6.143 483 HD21 LEU 72 1HD2 LEU 72 0.594 -15.193 5.807 484 HD22 LEU 72 2HD2 LEU 72 -0.102 -15.732 7.335 485 HD23 LEU 72 3HD2 LEU 72 0.844 -14.244 7.272 486 HA PRO 73 HA PRO 73 -5.809 -16.968 6.581 487 HB2 PRO 73 1HB PRO 73 -6.160 -16.873 3.890 488 HB3 PRO 73 2HB PRO 73 -7.164 -15.960 5.022 489 HG2 PRO 73 1HG PRO 73 -4.826 -15.039 3.394 490 HG3 PRO 73 2HG PRO 73 -6.374 -14.225 3.689 491 HD2 PRO 73 1HD PRO 73 -4.109 -13.578 5.025 492 HD3 PRO 73 2HD PRO 73 -5.720 -13.461 5.763 493 H GLN 74 H GLN 74 -5.582 -18.782 4.741 494 HA GLN 74 HA GLN 74 -2.869 -19.134 3.814 495 HB2 GLN 74 1HB GLN 74 -4.006 -20.738 6.085 496 HB3 GLN 74 2HB GLN 74 -2.788 -21.423 5.018 497 HG2 GLN 74 1HG GLN 74 -1.471 -20.604 6.688 498 HG3 GLN 74 2HG GLN 74 -1.489 -19.227 5.588 499 HE21 GLN 74 1HE2 GLN 74 -0.943 -17.933 7.420 500 HE22 GLN 74 2HE2 GLN 74 -2.168 -17.434 8.531 501 H THR 75 H THR 75 -3.056 -19.959 1.850 502 HA THR 75 HA THR 75 -5.461 -21.069 0.856 503 HB THR 75 HB THR 75 -3.929 -19.922 -0.640 504 HG1 THR 75 1HG THR 75 -4.150 -22.700 -1.251 505 HG21 THR 75 1HG2 THR 75 -1.767 -20.303 0.082 506 HG22 THR 75 2HG2 THR 75 -1.849 -21.350 -1.335 507 HG23 THR 75 3HG2 THR 75 -2.027 -22.035 0.280 508 H ASP 76 H ASP 76 -5.962 -23.179 0.240 509 HA ASP 76 HA ASP 76 -4.403 -25.250 1.633 510 HB2 ASP 76 1HB ASP 76 -6.635 -26.568 1.221 511 HB3 ASP 76 2HB ASP 76 -6.528 -25.402 2.537 512 H SER 77 H SER 77 -3.774 -27.107 0.582 513 HA SER 77 HA SER 77 -3.274 -26.903 -2.194 514 HB2 SER 77 1HB SER 77 -2.969 -29.150 -0.207 515 HB3 SER 77 2HB SER 77 -2.571 -29.357 -1.912 516 HG SER 77 HG SER 77 -1.184 -28.081 0.053 517 H GLY 78 H GLY 78 -5.300 -29.242 -0.408 518 HA2 GLY 78 1HA GLY 78 -7.611 -29.558 -1.192 519 HA3 GLY 78 2HA GLY 78 -6.983 -29.440 -2.829 520 HA PRO 79 HA PRO 79 -7.260 -33.923 -1.363 521 HB2 PRO 79 1HB PRO 79 -9.185 -34.721 -3.103 522 HB3 PRO 79 2HB PRO 79 -9.548 -34.074 -1.499 523 HG2 PRO 79 1HG PRO 79 -9.612 -32.697 -4.157 524 HG3 PRO 79 2HG PRO 79 -10.771 -32.599 -2.818 525 HD2 PRO 79 1HD PRO 79 -8.905 -30.690 -3.271 526 HD3 PRO 79 2HD PRO 79 -9.477 -31.099 -1.641 527 H SER 80 H SER 80 -6.504 -35.737 -2.535 528 HA SER 80 HA SER 80 -4.771 -35.089 -4.706 529 HB2 SER 80 1HB SER 80 -4.054 -37.380 -4.602 530 HB3 SER 80 2HB SER 80 -4.305 -36.831 -2.945 531 HG SER 80 HG SER 80 -6.285 -37.907 -2.933 532 H SER 81 H SER 81 -5.216 -35.062 -6.801 533 HA SER 81 HA SER 81 -7.446 -36.703 -7.799 534 HB2 SER 81 1HB SER 81 -6.840 -33.816 -8.457 535 HB3 SER 81 2HB SER 81 -7.928 -34.819 -9.417 536 HG SER 81 HG SER 81 -9.381 -34.229 -8.025 537 H GLY 82 H GLY 82 -5.960 -38.261 -8.530 538 HA2 GLY 82 1HA GLY 82 -4.619 -39.262 -10.101 539 HA3 GLY 82 2HA GLY 82 -5.074 -37.948 -11.175 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -29.301 13.313 -19.759 2 HA2 GLY 1 1HA GLY 1 -28.442 15.191 -17.721 3 HA3 GLY 1 2HA GLY 1 -27.587 13.745 -18.238 4 H SER 2 H SER 2 -26.064 15.875 -17.818 5 HA SER 2 HA SER 2 -25.052 16.462 -20.461 6 HB2 SER 2 1HB SER 2 -26.822 18.266 -19.697 7 HB3 SER 2 2HB SER 2 -25.474 18.869 -18.734 8 HG SER 2 HG SER 2 -25.100 19.876 -20.575 9 H SER 3 H SER 3 -22.926 16.234 -20.372 10 HA SER 3 HA SER 3 -21.506 17.031 -17.925 11 HB2 SER 3 1HB SER 3 -21.246 14.421 -19.421 12 HB3 SER 3 2HB SER 3 -20.005 15.008 -18.313 13 HG SER 3 HG SER 3 -21.784 13.550 -17.499 14 H GLY 4 H GLY 4 -19.260 17.544 -18.229 15 HA2 GLY 4 1HA GLY 4 -18.141 17.665 -20.870 16 HA3 GLY 4 2HA GLY 4 -18.680 19.236 -20.297 17 H SER 5 H SER 5 -15.980 17.770 -20.790 18 HA SER 5 HA SER 5 -14.753 18.585 -18.236 19 HB2 SER 5 1HB SER 5 -14.164 16.274 -20.054 20 HB3 SER 5 2HB SER 5 -12.872 16.960 -19.069 21 HG SER 5 HG SER 5 -14.299 16.630 -17.242 22 H SER 6 H SER 6 -13.440 20.273 -18.357 23 HA SER 6 HA SER 6 -12.631 21.275 -20.963 24 HB2 SER 6 1HB SER 6 -11.813 23.246 -19.630 25 HB3 SER 6 2HB SER 6 -13.537 22.916 -19.455 26 HG SER 6 HG SER 6 -13.133 21.985 -17.465 27 H GLY 7 H GLY 7 -10.558 21.429 -21.700 28 HA2 GLY 7 1HA GLY 7 -8.655 19.574 -20.819 29 HA3 GLY 7 2HA GLY 7 -8.332 20.915 -21.907 30 H GLN 8 H GLN 8 -8.306 19.835 -18.588 31 HA GLN 8 HA GLN 8 -6.912 22.298 -17.796 32 HB2 GLN 8 1HB GLN 8 -8.400 20.210 -16.217 33 HB3 GLN 8 2HB GLN 8 -7.320 21.363 -15.443 34 HG2 GLN 8 1HG GLN 8 -8.655 23.208 -16.221 35 HG3 GLN 8 2HG GLN 8 -9.686 22.115 -17.143 36 HE21 GLN 8 1HE2 GLN 8 -11.592 22.415 -16.153 37 HE22 GLN 8 2HE2 GLN 8 -11.892 22.098 -14.481 38 H HIS 9 H HIS 9 -4.885 22.244 -16.898 39 HA HIS 9 HA HIS 9 -3.282 19.938 -17.528 40 HB2 HIS 9 1HB HIS 9 -2.720 22.689 -16.478 41 HB3 HIS 9 2HB HIS 9 -1.477 21.445 -16.383 42 HD1 HIS 9 1HD HIS 9 -1.837 20.096 -19.105 43 HD2 HIS 9 2HD HIS 9 -1.835 24.213 -18.546 44 HE1 HIS 9 1HE HIS 9 -1.204 21.077 -21.333 45 H GLN 10 H GLN 10 -1.503 19.428 -15.759 46 HA GLN 10 HA GLN 10 -2.833 19.080 -13.160 47 HB2 GLN 10 1HB GLN 10 -2.717 17.019 -14.813 48 HB3 GLN 10 2HB GLN 10 -1.071 16.908 -14.204 49 HG2 GLN 10 1HG GLN 10 -1.858 16.650 -11.955 50 HG3 GLN 10 2HG GLN 10 -3.520 16.949 -12.459 51 HE21 GLN 10 1HE2 GLN 10 -2.927 14.711 -11.046 52 HE22 GLN 10 2HE2 GLN 10 -3.060 13.316 -12.055 53 H GLU 11 H GLU 11 -1.272 18.463 -11.417 54 HA GLU 11 HA GLU 11 1.132 20.096 -11.694 55 HB2 GLU 11 1HB GLU 11 1.253 20.020 -9.266 56 HB3 GLU 11 2HB GLU 11 -0.356 20.508 -9.778 57 HG2 GLU 11 1HG GLU 11 -0.876 17.956 -9.544 58 HG3 GLU 11 2HG GLU 11 0.539 17.979 -8.492 59 H ALA 12 H ALA 12 3.116 19.286 -10.518 60 HA ALA 12 HA ALA 12 3.485 16.413 -11.068 61 HB1 ALA 12 1HB ALA 12 5.555 18.597 -11.273 62 HB2 ALA 12 2HB ALA 12 5.793 16.888 -11.642 63 HB3 ALA 12 3HB ALA 12 4.707 17.861 -12.634 64 H GLY 13 H GLY 13 4.948 15.254 -9.700 65 HA2 GLY 13 1HA GLY 13 6.016 16.473 -7.331 66 HA3 GLY 13 2HA GLY 13 4.575 15.522 -7.004 67 H ALA 14 H ALA 14 7.456 15.177 -6.250 68 HA ALA 14 HA ALA 14 8.559 12.999 -7.652 69 HB1 ALA 14 1HB ALA 14 9.420 12.809 -4.989 70 HB2 ALA 14 2HB ALA 14 10.252 13.579 -6.341 71 HB3 ALA 14 3HB ALA 14 9.184 14.527 -5.307 72 H GLY 15 H GLY 15 8.887 10.797 -6.734 73 HA2 GLY 15 1HA GLY 15 6.307 9.756 -5.835 74 HA3 GLY 15 2HA GLY 15 7.629 8.814 -6.509 75 H ASP 16 H ASP 16 7.573 11.114 -3.802 76 HA ASP 16 HA ASP 16 8.496 8.923 -2.059 77 HB2 ASP 16 1HB ASP 16 9.240 11.854 -1.940 78 HB3 ASP 16 2HB ASP 16 9.746 10.632 -0.776 79 H LEU 17 H LEU 17 5.802 9.334 -2.361 80 HA LEU 17 HA LEU 17 5.077 10.472 0.253 81 HB2 LEU 17 1HB LEU 17 3.328 10.622 -2.190 82 HB3 LEU 17 2HB LEU 17 3.067 11.395 -0.627 83 HG LEU 17 HG LEU 17 5.332 12.103 -2.485 84 HD11 LEU 17 1HD1 LEU 17 3.411 14.169 -2.326 85 HD12 LEU 17 2HD1 LEU 17 2.559 12.684 -2.750 86 HD13 LEU 17 3HD1 LEU 17 3.908 13.240 -3.741 87 HD21 LEU 17 1HD2 LEU 17 5.383 12.574 0.059 88 HD22 LEU 17 2HD2 LEU 17 4.178 13.808 -0.312 89 HD23 LEU 17 3HD2 LEU 17 5.774 13.878 -1.062 90 H CYS 18 H CYS 18 3.870 9.191 1.517 91 HA CYS 18 HA CYS 18 3.607 6.536 1.303 92 HB2 CYS 18 1HB CYS 18 2.883 7.378 3.341 93 HB3 CYS 18 2HB CYS 18 1.824 8.567 2.590 94 H ALA 19 H ALA 19 1.978 5.040 0.667 95 HA ALA 19 HA ALA 19 0.766 5.717 -1.859 96 HB1 ALA 19 1HB ALA 19 1.884 3.521 -1.351 97 HB2 ALA 19 2HB ALA 19 0.484 3.127 -0.351 98 HB3 ALA 19 3HB ALA 19 0.282 3.405 -2.081 99 H LEU 20 H LEU 20 -0.388 4.753 1.358 100 HA LEU 20 HA LEU 20 -3.106 4.626 0.845 101 HB2 LEU 20 1HB LEU 20 -1.426 5.112 3.218 102 HB3 LEU 20 2HB LEU 20 -3.102 5.640 3.345 103 HG LEU 20 HG LEU 20 -3.612 3.202 2.524 104 HD11 LEU 20 1HD1 LEU 20 -1.125 2.793 2.183 105 HD12 LEU 20 2HD1 LEU 20 -2.025 1.563 3.070 106 HD13 LEU 20 3HD1 LEU 20 -1.010 2.713 3.941 107 HD21 LEU 20 1HD2 LEU 20 -3.333 4.466 5.075 108 HD22 LEU 20 2HD2 LEU 20 -2.887 2.765 5.209 109 HD23 LEU 20 3HD2 LEU 20 -4.469 3.214 4.570 110 H CYS 21 H CYS 21 -1.536 7.411 2.426 111 HA CYS 21 HA CYS 21 -3.625 9.133 1.293 112 HB2 CYS 21 1HB CYS 21 -2.952 10.763 3.011 113 HB3 CYS 21 2HB CYS 21 -3.397 9.216 3.725 114 H GLY 22 H GLY 22 -0.103 9.035 1.803 115 HA2 GLY 22 1HA GLY 22 1.568 9.737 0.350 116 HA3 GLY 22 2HA GLY 22 0.327 10.303 -0.758 117 H GLU 23 H GLU 23 1.235 11.113 2.595 118 HA GLU 23 HA GLU 23 0.917 13.938 1.955 119 HB2 GLU 23 1HB GLU 23 1.365 12.485 4.564 120 HB3 GLU 23 2HB GLU 23 1.275 14.236 4.429 121 HG2 GLU 23 1HG GLU 23 -0.950 12.578 3.348 122 HG3 GLU 23 2HG GLU 23 -0.826 12.837 5.087 123 H HIS 24 H HIS 24 3.343 12.018 3.736 124 HA HIS 24 HA HIS 24 5.537 13.002 2.248 125 HB2 HIS 24 1HB HIS 24 4.685 14.966 3.829 126 HB3 HIS 24 2HB HIS 24 5.651 14.098 5.018 127 HD1 HIS 24 1HD HIS 24 8.240 13.823 4.414 128 HD2 HIS 24 2HD HIS 24 6.110 16.530 2.092 129 HE1 HIS 24 1HE HIS 24 9.976 15.238 3.270 130 H LEU 25 H LEU 25 7.091 11.527 2.424 131 HA LEU 25 HA LEU 25 7.027 9.708 4.726 132 HB2 LEU 25 1HB LEU 25 8.281 9.407 2.002 133 HB3 LEU 25 2HB LEU 25 8.393 8.215 3.295 134 HG LEU 25 HG LEU 25 5.763 9.090 2.126 135 HD11 LEU 25 1HD1 LEU 25 5.898 7.603 0.431 136 HD12 LEU 25 2HD1 LEU 25 6.934 6.498 1.333 137 HD13 LEU 25 3HD1 LEU 25 7.623 7.938 0.583 138 HD21 LEU 25 1HD2 LEU 25 6.664 6.754 3.799 139 HD22 LEU 25 2HD2 LEU 25 5.089 6.844 3.011 140 HD23 LEU 25 3HD2 LEU 25 5.527 8.028 4.244 141 H TYR 26 H TYR 26 8.880 9.225 5.899 142 HA TYR 26 HA TYR 26 11.114 11.109 5.522 143 HB2 TYR 26 1HB TYR 26 9.740 11.398 7.611 144 HB3 TYR 26 2HB TYR 26 10.280 9.801 8.116 145 HD1 TYR 26 1HD TYR 26 11.977 12.800 6.652 146 HD2 TYR 26 2HD TYR 26 11.864 9.918 9.780 147 HE1 TYR 26 1HE TYR 26 13.995 13.802 7.640 148 HE2 TYR 26 2HE TYR 26 13.881 10.912 10.777 149 HH TYR 26 HH TYR 26 15.109 13.932 9.817 150 H VAL 27 H VAL 27 13.239 10.359 5.969 151 HA VAL 27 HA VAL 27 14.053 8.057 4.807 152 HB VAL 27 HB VAL 27 16.111 8.147 6.167 153 HG11 VAL 27 1HG1 VAL 27 15.895 9.615 4.248 154 HG12 VAL 27 2HG1 VAL 27 15.091 10.831 5.242 155 HG13 VAL 27 3HG1 VAL 27 16.782 10.427 5.537 156 HG21 VAL 27 1HG2 VAL 27 16.175 10.196 7.771 157 HG22 VAL 27 2HG2 VAL 27 14.426 9.972 7.832 158 HG23 VAL 27 3HG2 VAL 27 15.501 8.667 8.335 159 H LEU 28 H LEU 28 12.588 8.360 7.928 160 HA LEU 28 HA LEU 28 13.126 5.522 8.489 161 HB2 LEU 28 1HB LEU 28 12.521 7.871 10.241 162 HB3 LEU 28 2HB LEU 28 12.198 6.233 10.805 163 HG LEU 28 HG LEU 28 14.916 7.083 9.843 164 HD11 LEU 28 1HD1 LEU 28 14.247 8.582 11.657 165 HD12 LEU 28 2HD1 LEU 28 15.527 7.479 12.162 166 HD13 LEU 28 3HD1 LEU 28 13.863 7.187 12.666 167 HD21 LEU 28 1HD2 LEU 28 14.222 4.957 11.840 168 HD22 LEU 28 2HD2 LEU 28 15.690 5.142 10.880 169 HD23 LEU 28 3HD2 LEU 28 14.187 4.637 10.106 170 H GLU 29 H GLU 29 10.516 7.751 9.434 171 HA GLU 29 HA GLU 29 8.446 6.124 9.790 172 HB2 GLU 29 1HB GLU 29 8.187 8.555 8.017 173 HB3 GLU 29 2HB GLU 29 6.940 7.844 9.031 174 HG2 GLU 29 1HG GLU 29 8.592 8.348 10.967 175 HG3 GLU 29 2HG GLU 29 9.314 9.470 9.815 176 H ARG 30 H ARG 30 9.795 6.912 6.635 177 HA ARG 30 HA ARG 30 7.827 5.719 5.034 178 HB2 ARG 30 1HB ARG 30 9.282 6.010 3.259 179 HB3 ARG 30 2HB ARG 30 9.878 7.206 4.403 180 HG2 ARG 30 1HG ARG 30 11.640 5.679 5.102 181 HG3 ARG 30 2HG ARG 30 11.032 4.456 3.984 182 HD2 ARG 30 1HD ARG 30 13.007 5.813 3.181 183 HD3 ARG 30 2HD ARG 30 11.617 5.752 2.098 184 HE ARG 30 HE ARG 30 12.586 8.062 3.574 185 HH11 ARG 30 2HH1 ARG 30 10.092 6.650 1.598 186 HH12 ARG 30 1HH1 ARG 30 9.422 8.176 1.124 187 HH21 ARG 30 2HH2 ARG 30 11.712 10.077 2.958 188 HH22 ARG 30 1HH2 ARG 30 10.344 10.125 1.898 189 H LEU 31 H LEU 31 7.382 3.666 4.493 190 HA LEU 31 HA LEU 31 9.199 1.570 5.487 191 HB2 LEU 31 1HB LEU 31 6.265 1.884 5.613 192 HB3 LEU 31 2HB LEU 31 6.861 0.264 5.259 193 HG LEU 31 HG LEU 31 8.148 0.287 7.345 194 HD11 LEU 31 1HD1 LEU 31 8.431 2.085 8.655 195 HD12 LEU 31 2HD1 LEU 31 6.774 2.643 8.424 196 HD13 LEU 31 3HD1 LEU 31 7.999 2.992 7.205 197 HD21 LEU 31 1HD2 LEU 31 5.593 -0.297 7.095 198 HD22 LEU 31 2HD2 LEU 31 5.402 1.094 8.162 199 HD23 LEU 31 3HD2 LEU 31 6.376 -0.284 8.675 200 H CYS 32 H CYS 32 10.345 1.064 3.690 201 HA CYS 32 HA CYS 32 9.256 0.963 1.074 202 HB2 CYS 32 1HB CYS 32 11.753 1.132 1.943 203 HB3 CYS 32 2HB CYS 32 11.687 -0.620 1.788 204 HG CYS 32 HG CYS 32 12.838 0.941 -0.460 205 H VAL 33 H VAL 33 7.814 -0.468 0.393 206 HA VAL 33 HA VAL 33 8.160 -3.287 1.156 207 HB VAL 33 HB VAL 33 5.482 -1.901 0.985 208 HG11 VAL 33 1HG1 VAL 33 5.973 -4.601 2.169 209 HG12 VAL 33 2HG1 VAL 33 4.488 -3.924 1.496 210 HG13 VAL 33 3HG1 VAL 33 5.798 -4.421 0.424 211 HG21 VAL 33 1HG2 VAL 33 5.396 -2.304 3.444 212 HG22 VAL 33 2HG2 VAL 33 7.101 -2.751 3.382 213 HG23 VAL 33 3HG2 VAL 33 6.602 -1.114 2.953 214 H ASN 34 H ASN 34 8.772 -4.191 -0.713 215 HA ASN 34 HA ASN 34 8.797 -4.833 -2.896 216 HB2 ASN 34 1HB ASN 34 5.846 -4.313 -2.510 217 HB3 ASN 34 2HB ASN 34 6.510 -5.027 -3.977 218 HD21 ASN 34 1HD2 ASN 34 4.709 -6.481 -2.729 219 HD22 ASN 34 2HD2 ASN 34 5.425 -7.802 -1.876 220 H GLY 35 H GLY 35 9.531 -2.171 -2.466 221 HA2 GLY 35 1HA GLY 35 10.178 -0.521 -4.003 222 HA3 GLY 35 2HA GLY 35 8.917 -1.074 -5.094 223 H HIS 36 H HIS 36 6.797 -0.985 -3.142 224 HA HIS 36 HA HIS 36 6.260 1.864 -3.270 225 HB2 HIS 36 1HB HIS 36 4.445 -0.315 -2.232 226 HB3 HIS 36 2HB HIS 36 3.984 1.301 -2.756 227 HD1 HIS 36 1HD HIS 36 5.356 1.454 -5.467 228 HD2 HIS 36 2HD HIS 36 3.314 -1.902 -4.117 229 HE1 HIS 36 1HE HIS 36 4.703 0.186 -7.539 230 H PHE 37 H PHE 37 6.236 3.237 -1.591 231 HA PHE 37 HA PHE 37 7.043 2.190 1.016 232 HB2 PHE 37 1HB PHE 37 6.989 5.007 -0.081 233 HB3 PHE 37 2HB PHE 37 7.499 4.588 1.552 234 HD1 PHE 37 1HD PHE 37 8.254 3.884 -2.019 235 HD2 PHE 37 2HD PHE 37 9.713 4.062 1.975 236 HE1 PHE 37 1HE PHE 37 10.540 3.494 -2.841 237 HE2 PHE 37 2HE PHE 37 12.002 3.673 1.160 238 HZ PHE 37 HZ PHE 37 12.418 3.389 -1.250 239 H PHE 38 H PHE 38 6.038 2.999 2.969 240 HA PHE 38 HA PHE 38 3.365 4.124 2.689 241 HB2 PHE 38 1HB PHE 38 3.909 1.469 4.031 242 HB3 PHE 38 2HB PHE 38 2.394 2.356 4.154 243 HD1 PHE 38 1HD PHE 38 4.596 0.468 1.900 244 HD2 PHE 38 2HD PHE 38 0.815 2.366 2.368 245 HE1 PHE 38 1HE PHE 38 3.797 -0.626 -0.154 246 HE2 PHE 38 2HE PHE 38 0.009 1.274 0.315 247 HZ PHE 38 HZ PHE 38 1.500 -0.224 -0.948 248 H HIS 39 H HIS 39 2.505 4.969 4.659 249 HA HIS 39 HA HIS 39 4.488 6.124 6.340 250 HB2 HIS 39 1HB HIS 39 1.501 6.192 6.221 251 HB3 HIS 39 2HB HIS 39 2.308 6.781 7.671 252 HD2 HIS 39 2HD HIS 39 4.788 8.343 6.080 253 HE1 HIS 39 1HE HIS 39 1.602 10.550 4.355 254 HE2 HIS 39 2HE HIS 39 4.089 10.440 4.738 255 H ARG 40 H ARG 40 5.085 5.651 8.406 256 HA ARG 40 HA ARG 40 4.955 3.021 9.312 257 HB2 ARG 40 1HB ARG 40 6.430 5.154 10.006 258 HB3 ARG 40 2HB ARG 40 5.290 5.158 11.345 259 HG2 ARG 40 1HG ARG 40 6.560 2.573 10.661 260 HG3 ARG 40 2HG ARG 40 7.576 3.808 11.407 261 HD2 ARG 40 1HD ARG 40 6.010 3.992 13.264 262 HD3 ARG 40 2HD ARG 40 4.955 2.800 12.508 263 HE ARG 40 HE ARG 40 7.242 1.434 12.726 264 HH11 ARG 40 2HH1 ARG 40 5.510 3.405 15.013 265 HH12 ARG 40 1HH1 ARG 40 6.047 2.506 16.393 266 HH21 ARG 40 2HH2 ARG 40 7.955 0.241 14.535 267 HH22 ARG 40 1HH2 ARG 40 7.438 0.707 16.120 268 H SER 41 H SER 41 2.603 5.462 9.460 269 HA SER 41 HA SER 41 1.210 4.203 11.710 270 HB2 SER 41 1HB SER 41 1.535 6.740 11.537 271 HB3 SER 41 2HB SER 41 0.332 6.692 10.249 272 HG SER 41 HG SER 41 -0.172 6.884 12.764 273 H CYS 42 H CYS 42 0.630 5.222 8.353 274 HA CYS 42 HA CYS 42 -1.949 4.213 8.070 275 HB2 CYS 42 1HB CYS 42 0.278 4.610 6.077 276 HB3 CYS 42 2HB CYS 42 -1.320 4.046 5.598 277 H PHE 43 H PHE 43 1.147 2.646 7.269 278 HA PHE 43 HA PHE 43 0.277 0.249 6.293 279 HB2 PHE 43 1HB PHE 43 2.682 1.085 6.672 280 HB3 PHE 43 2HB PHE 43 2.541 0.370 8.274 281 HD1 PHE 43 2HD PHE 43 1.363 -0.813 4.945 282 HD2 PHE 43 1HD PHE 43 3.871 -1.509 8.312 283 HE1 PHE 43 2HE PHE 43 1.994 -3.003 4.017 284 HE2 PHE 43 1HE PHE 43 4.507 -3.700 7.389 285 HZ PHE 43 HZ PHE 43 3.567 -4.450 5.240 286 H ARG 44 H ARG 44 -1.599 -0.526 7.213 287 HA ARG 44 HA ARG 44 -1.255 -1.826 9.815 288 HB2 ARG 44 1HB ARG 44 -3.604 -0.090 9.039 289 HB3 ARG 44 2HB ARG 44 -3.586 -1.161 10.434 290 HG2 ARG 44 1HG ARG 44 -1.945 0.117 11.528 291 HG3 ARG 44 2HG ARG 44 -1.543 1.003 10.056 292 HD2 ARG 44 1HD ARG 44 -3.862 1.944 10.094 293 HD3 ARG 44 2HD ARG 44 -4.077 1.193 11.675 294 HE ARG 44 HE ARG 44 -1.758 2.747 11.759 295 HH11 ARG 44 2HH1 ARG 44 -5.199 3.157 11.427 296 HH12 ARG 44 1HH1 ARG 44 -5.214 4.729 12.155 297 HH21 ARG 44 2HH2 ARG 44 -1.764 4.815 12.720 298 HH22 ARG 44 1HH2 ARG 44 -3.259 5.672 12.890 299 H CYS 45 H CYS 45 -3.109 -3.394 10.226 300 HA CYS 45 HA CYS 45 -3.192 -5.312 8.222 301 HB2 CYS 45 1HB CYS 45 -3.682 -5.676 10.658 302 HB3 CYS 45 2HB CYS 45 -5.268 -4.958 10.391 303 H HIS 46 H HIS 46 -5.128 -6.166 7.100 304 HA HIS 46 HA HIS 46 -6.640 -3.949 5.919 305 HB2 HIS 46 1HB HIS 46 -5.440 -5.252 4.295 306 HB3 HIS 46 2HB HIS 46 -6.086 -6.756 4.946 307 HD1 HIS 46 1HD HIS 46 -6.815 -4.049 2.557 308 HD2 HIS 46 2HD HIS 46 -8.858 -7.197 4.340 309 HE1 HIS 46 1HE HIS 46 -8.917 -4.336 1.208 310 H THR 47 H THR 47 -7.037 -6.101 8.330 311 HA THR 47 HA THR 47 -9.940 -6.311 7.860 312 HB THR 47 HB THR 47 -8.074 -8.301 9.139 313 HG1 THR 47 1HG THR 47 -8.848 -9.621 7.544 314 HG21 THR 47 1HG2 THR 47 -10.054 -7.928 10.602 315 HG22 THR 47 2HG2 THR 47 -9.982 -9.552 9.920 316 HG23 THR 47 3HG2 THR 47 -11.091 -8.360 9.243 317 H CYS 48 H CYS 48 -7.373 -5.952 10.265 318 HA CYS 48 HA CYS 48 -9.366 -4.870 12.145 319 HB2 CYS 48 1HB CYS 48 -7.766 -5.413 13.934 320 HB3 CYS 48 2HB CYS 48 -8.209 -6.843 13.008 321 H GLU 49 H GLU 49 -6.992 -3.970 10.018 322 HA GLU 49 HA GLU 49 -5.715 -2.106 9.707 323 HB2 GLU 49 1HB GLU 49 -7.846 -0.834 11.432 324 HB3 GLU 49 2HB GLU 49 -6.761 0.007 10.334 325 HG2 GLU 49 1HG GLU 49 -7.876 -0.701 8.464 326 HG3 GLU 49 2HG GLU 49 -8.511 -2.143 9.255 327 H ALA 50 H ALA 50 -4.565 -3.639 11.574 328 HA ALA 50 HA ALA 50 -3.904 -1.894 13.839 329 HB1 ALA 50 1HB ALA 50 -3.013 -4.743 13.514 330 HB2 ALA 50 2HB ALA 50 -3.147 -3.790 14.992 331 HB3 ALA 50 3HB ALA 50 -4.603 -4.328 14.155 332 H THR 51 H THR 51 -1.868 -1.134 14.197 333 HA THR 51 HA THR 51 -0.174 -0.571 12.111 334 HB THR 51 HB THR 51 0.727 -0.936 14.973 335 HG1 THR 51 1HG THR 51 0.064 1.200 15.262 336 HG21 THR 51 1HG2 THR 51 1.803 1.223 13.279 337 HG22 THR 51 2HG2 THR 51 2.270 -0.412 12.813 338 HG23 THR 51 3HG2 THR 51 2.621 0.176 14.438 339 H LEU 52 H LEU 52 0.482 -2.175 10.769 340 HA LEU 52 HA LEU 52 1.389 -4.719 11.673 341 HB2 LEU 52 1HB LEU 52 1.771 -3.372 9.003 342 HB3 LEU 52 2HB LEU 52 2.051 -5.078 9.344 343 HG LEU 52 HG LEU 52 -0.628 -3.698 9.502 344 HD11 LEU 52 1HD1 LEU 52 0.855 -4.710 7.260 345 HD12 LEU 52 2HD1 LEU 52 -0.710 -3.899 7.295 346 HD13 LEU 52 3HD1 LEU 52 -0.619 -5.648 7.498 347 HD21 LEU 52 1HD2 LEU 52 -0.133 -5.749 10.963 348 HD22 LEU 52 2HD2 LEU 52 -0.109 -6.652 9.449 349 HD23 LEU 52 3HD2 LEU 52 -1.568 -5.789 9.939 350 H TRP 53 H TRP 53 3.104 -4.579 13.052 351 HA TRP 53 HA TRP 53 5.330 -2.876 12.684 352 HB2 TRP 53 1HB TRP 53 5.529 -5.446 14.215 353 HB3 TRP 53 2HB TRP 53 6.234 -3.874 14.582 354 HD1 TRP 53 HD TRP 53 2.888 -5.761 14.794 355 HE1 TRP 53 1HE TRP 53 1.412 -4.597 16.552 356 HE3 TRP 53 3HE TRP 53 5.846 -1.711 15.783 357 HZ2 TRP 53 2HZ TRP 53 1.491 -2.270 18.147 358 HZ3 TRP 53 3HZ TRP 53 5.073 -0.062 17.437 359 HH2 TRP 53 HH TRP 53 2.940 -0.337 18.594 360 HA PRO 54 HA PRO 54 7.851 -5.003 9.789 361 HB2 PRO 54 1HB PRO 54 10.337 -4.499 10.755 362 HB3 PRO 54 2HB PRO 54 9.340 -3.264 9.977 363 HG2 PRO 54 1HG PRO 54 9.780 -3.783 12.892 364 HG3 PRO 54 2HG PRO 54 9.733 -2.237 12.026 365 HD2 PRO 54 1HD PRO 54 7.629 -3.174 13.450 366 HD3 PRO 54 2HD PRO 54 7.429 -2.184 11.990 367 H GLY 55 H GLY 55 7.095 -6.339 12.561 368 HA2 GLY 55 1HA GLY 55 8.695 -8.721 12.043 369 HA3 GLY 55 2HA GLY 55 8.866 -8.001 13.637 370 H GLY 56 H GLY 56 5.823 -7.896 11.945 371 HA2 GLY 56 1HA GLY 56 4.770 -10.277 13.171 372 HA3 GLY 56 2HA GLY 56 4.236 -8.804 13.966 373 H TYR 57 H TYR 57 4.747 -9.631 10.541 374 HA TYR 57 HA TYR 57 1.920 -9.545 9.993 375 HB2 TYR 57 1HB TYR 57 1.792 -7.581 8.761 376 HB3 TYR 57 2HB TYR 57 2.852 -7.107 10.083 377 HD1 TYR 57 2HD TYR 57 5.380 -7.186 9.654 378 HD2 TYR 57 1HD TYR 57 2.483 -7.335 6.541 379 HE1 TYR 57 2HE TYR 57 7.093 -6.487 8.034 380 HE2 TYR 57 1HE TYR 57 4.188 -6.638 4.912 381 HH TYR 57 HH TYR 57 7.433 -5.718 5.930 382 H GLU 58 H GLU 58 1.467 -9.916 7.663 383 HA GLU 58 HA GLU 58 3.659 -10.918 6.056 384 HB2 GLU 58 1HB GLU 58 1.710 -12.689 7.433 385 HB3 GLU 58 2HB GLU 58 2.117 -13.087 5.770 386 HG2 GLU 58 1HG GLU 58 4.219 -12.623 7.856 387 HG3 GLU 58 2HG GLU 58 3.474 -14.199 7.602 388 H GLN 59 H GLN 59 3.061 -11.337 3.864 389 HA GLN 59 HA GLN 59 0.565 -9.982 3.101 390 HB2 GLN 59 1HB GLN 59 2.489 -8.831 2.244 391 HB3 GLN 59 2HB GLN 59 3.172 -10.327 1.620 392 HG2 GLN 59 1HG GLN 59 0.938 -10.387 0.239 393 HG3 GLN 59 2HG GLN 59 0.968 -8.650 0.544 394 HE21 GLN 59 1HE2 GLN 59 1.154 -9.812 -1.999 395 HE22 GLN 59 2HE2 GLN 59 2.714 -9.452 -2.649 396 H HIS 60 H HIS 60 -1.006 -11.361 2.616 397 HA HIS 60 HA HIS 60 -0.596 -14.071 1.927 398 HB2 HIS 60 1HB HIS 60 -2.676 -12.977 2.969 399 HB3 HIS 60 2HB HIS 60 -3.113 -12.532 1.322 400 HD1 HIS 60 1HD HIS 60 -4.262 -14.276 -0.056 401 HD2 HIS 60 2HD HIS 60 -2.542 -15.849 3.384 402 HE1 HIS 60 1HE HIS 60 -5.048 -16.662 0.059 403 HA PRO 61 HA PRO 61 0.336 -13.602 -2.377 404 HB2 PRO 61 1HB PRO 61 0.134 -16.226 -3.046 405 HB3 PRO 61 2HB PRO 61 1.517 -15.562 -2.167 406 HG2 PRO 61 1HG PRO 61 -0.866 -17.037 -1.114 407 HG3 PRO 61 2HG PRO 61 0.844 -17.214 -0.676 408 HD2 PRO 61 1HD PRO 61 -0.912 -15.815 0.839 409 HD3 PRO 61 2HD PRO 61 0.805 -15.380 0.720 410 H GLY 62 H GLY 62 -2.476 -15.452 -1.272 411 HA2 GLY 62 1HA GLY 62 -3.882 -15.914 -3.546 412 HA3 GLY 62 2HA GLY 62 -4.650 -15.404 -2.050 413 H ASP 63 H ASP 63 -4.987 -13.126 -1.702 414 HA ASP 63 HA ASP 63 -5.907 -11.808 -4.051 415 HB2 ASP 63 1HB ASP 63 -5.736 -11.039 -1.149 416 HB3 ASP 63 2HB ASP 63 -6.228 -9.865 -2.367 417 H GLY 64 H GLY 64 -3.426 -10.855 -1.662 418 HA2 GLY 64 1HA GLY 64 -1.207 -10.265 -2.639 419 HA3 GLY 64 2HA GLY 64 -2.107 -9.338 -3.830 420 H HIS 65 H HIS 65 -2.770 -9.514 -0.369 421 HA HIS 65 HA HIS 65 -1.998 -6.678 -0.152 422 HB2 HIS 65 1HB HIS 65 -4.344 -8.039 1.189 423 HB3 HIS 65 2HB HIS 65 -3.862 -6.362 1.424 424 HD1 HIS 65 1HD HIS 65 -4.079 -4.801 -0.754 425 HD2 HIS 65 2HD HIS 65 -6.023 -8.469 -0.921 426 HE1 HIS 65 1HE HIS 65 -5.723 -4.605 -2.647 427 H PHE 66 H PHE 66 -2.164 -6.195 2.448 428 HA PHE 66 HA PHE 66 -0.354 -8.172 3.670 429 HB2 PHE 66 1HB PHE 66 -0.477 -5.172 4.002 430 HB3 PHE 66 2HB PHE 66 0.485 -6.224 5.035 431 HD1 PHE 66 1HD PHE 66 2.468 -7.329 4.184 432 HD2 PHE 66 2HD PHE 66 0.161 -4.734 1.722 433 HE1 PHE 66 1HE PHE 66 4.320 -7.221 2.569 434 HE2 PHE 66 2HE PHE 66 2.009 -4.622 0.102 435 HZ PHE 66 HZ PHE 66 4.092 -5.867 0.524 436 H TYR 67 H TYR 67 -1.084 -9.197 5.405 437 HA TYR 67 HA TYR 67 -3.162 -7.904 7.041 438 HB2 TYR 67 1HB TYR 67 -3.062 -10.856 6.401 439 HB3 TYR 67 2HB TYR 67 -4.318 -10.007 7.294 440 HD1 TYR 67 2HD TYR 67 -2.870 -10.589 3.963 441 HD2 TYR 67 1HD TYR 67 -6.032 -8.768 6.152 442 HE1 TYR 67 2HE TYR 67 -4.107 -10.230 1.867 443 HE2 TYR 67 1HE TYR 67 -7.277 -8.405 4.063 444 HH TYR 67 HH TYR 67 -5.886 -9.272 0.920 445 H CYS 68 H CYS 68 -3.334 -8.840 9.244 446 HA CYS 68 HA CYS 68 -0.731 -9.013 10.428 447 HB2 CYS 68 1HB CYS 68 -1.898 -9.049 12.549 448 HB3 CYS 68 2HB CYS 68 -2.641 -7.841 11.505 449 H LEU 69 H LEU 69 -0.386 -10.733 12.198 450 HA LEU 69 HA LEU 69 -0.467 -13.301 10.897 451 HB2 LEU 69 1HB LEU 69 0.501 -12.708 13.681 452 HB3 LEU 69 2HB LEU 69 0.946 -14.064 12.647 453 HG LEU 69 HG LEU 69 1.773 -11.181 12.351 454 HD11 LEU 69 1HD1 LEU 69 4.005 -12.044 12.668 455 HD12 LEU 69 2HD1 LEU 69 3.389 -13.693 12.756 456 HD13 LEU 69 3HD1 LEU 69 2.984 -12.533 14.021 457 HD21 LEU 69 1HD2 LEU 69 2.785 -11.673 10.304 458 HD22 LEU 69 2HD2 LEU 69 1.190 -12.416 10.183 459 HD23 LEU 69 3HD2 LEU 69 2.604 -13.413 10.526 460 H GLN 70 H GLN 70 -2.897 -11.843 12.163 461 HA GLN 70 HA GLN 70 -3.904 -14.214 13.590 462 HB2 GLN 70 1HB GLN 70 -3.560 -12.430 15.203 463 HB3 GLN 70 2HB GLN 70 -4.477 -11.311 14.204 464 HG2 GLN 70 1HG GLN 70 -6.506 -12.436 14.637 465 HG3 GLN 70 2HG GLN 70 -5.671 -13.818 15.345 466 HE21 GLN 70 1HE2 GLN 70 -7.324 -13.281 17.039 467 HE22 GLN 70 2HE2 GLN 70 -6.846 -12.177 18.279 468 H HIS 71 H HIS 71 -4.209 -12.197 10.953 469 HA HIS 71 HA HIS 71 -6.976 -13.098 10.505 470 HB2 HIS 71 1HB HIS 71 -5.753 -10.398 10.059 471 HB3 HIS 71 2HB HIS 71 -7.077 -10.936 9.029 472 HD2 HIS 71 2HD HIS 71 -8.154 -12.389 12.176 473 HE1 HIS 71 1HE HIS 71 -9.376 -8.341 12.516 474 HE2 HIS 71 2HE HIS 71 -9.555 -10.656 13.490 475 H LEU 72 H LEU 72 -3.766 -12.807 9.349 476 HA LEU 72 HA LEU 72 -3.995 -12.896 6.613 477 HB2 LEU 72 1HB LEU 72 -1.881 -12.830 7.931 478 HB3 LEU 72 2HB LEU 72 -2.077 -14.554 8.243 479 HG LEU 72 HG LEU 72 -2.123 -14.674 5.605 480 HD11 LEU 72 1HD1 LEU 72 -0.400 -13.008 4.761 481 HD12 LEU 72 2HD1 LEU 72 -0.754 -12.071 6.211 482 HD13 LEU 72 3HD1 LEU 72 -2.030 -12.397 5.039 483 HD21 LEU 72 1HD2 LEU 72 0.311 -15.049 5.657 484 HD22 LEU 72 2HD2 LEU 72 -0.519 -15.823 7.007 485 HD23 LEU 72 3HD2 LEU 72 0.372 -14.322 7.263 486 HA PRO 73 HA PRO 73 -6.403 -16.635 6.123 487 HB2 PRO 73 1HB PRO 73 -6.664 -16.409 3.430 488 HB3 PRO 73 2HB PRO 73 -7.633 -15.470 4.572 489 HG2 PRO 73 1HG PRO 73 -5.188 -14.659 3.047 490 HG3 PRO 73 2HG PRO 73 -6.681 -13.746 3.334 491 HD2 PRO 73 1HD PRO 73 -4.417 -13.320 4.757 492 HD3 PRO 73 2HD PRO 73 -6.036 -13.115 5.455 493 H GLN 74 H GLN 74 -6.252 -18.427 4.297 494 HA GLN 74 HA GLN 74 -3.598 -18.925 3.304 495 HB2 GLN 74 1HB GLN 74 -4.600 -20.234 5.777 496 HB3 GLN 74 2HB GLN 74 -3.750 -21.250 4.621 497 HG2 GLN 74 1HG GLN 74 -1.871 -19.596 4.689 498 HG3 GLN 74 2HG GLN 74 -2.710 -18.804 6.022 499 HE21 GLN 74 1HE2 GLN 74 -0.835 -19.260 7.289 500 HE22 GLN 74 2HE2 GLN 74 -0.610 -20.827 7.979 501 H THR 75 H THR 75 -3.886 -19.830 1.388 502 HA THR 75 HA THR 75 -6.166 -20.576 0.174 503 HB THR 75 HB THR 75 -4.836 -22.140 -1.260 504 HG1 THR 75 1HG THR 75 -3.234 -22.995 -0.115 505 HG21 THR 75 1HG2 THR 75 -2.947 -20.029 -1.339 506 HG22 THR 75 2HG2 THR 75 -4.502 -19.332 -0.883 507 HG23 THR 75 3HG2 THR 75 -4.357 -20.270 -2.369 508 H ASP 76 H ASP 76 -7.170 -22.617 -0.357 509 HA ASP 76 HA ASP 76 -6.703 -24.798 1.537 510 HB2 ASP 76 1HB ASP 76 -8.588 -23.134 2.260 511 HB3 ASP 76 2HB ASP 76 -9.528 -23.942 1.009 512 H SER 77 H SER 77 -7.232 -26.826 0.772 513 HA SER 77 HA SER 77 -7.412 -28.436 -0.833 514 HB2 SER 77 1HB SER 77 -9.821 -27.613 -0.499 515 HB3 SER 77 2HB SER 77 -9.612 -26.749 -2.022 516 HG SER 77 HG SER 77 -8.879 -29.424 -2.016 517 H GLY 78 H GLY 78 -5.447 -26.527 -1.389 518 HA2 GLY 78 1HA GLY 78 -5.679 -25.660 -4.127 519 HA3 GLY 78 2HA GLY 78 -4.253 -25.532 -3.107 520 HA PRO 79 HA PRO 79 -2.911 -28.602 -6.125 521 HB2 PRO 79 1HB PRO 79 -0.269 -28.301 -5.578 522 HB3 PRO 79 2HB PRO 79 -1.165 -27.196 -6.627 523 HG2 PRO 79 1HG PRO 79 -0.416 -26.883 -3.746 524 HG3 PRO 79 2HG PRO 79 -0.347 -25.690 -5.055 525 HD2 PRO 79 1HD PRO 79 -2.355 -25.746 -3.239 526 HD3 PRO 79 2HD PRO 79 -2.600 -25.223 -4.918 527 H SER 80 H SER 80 -2.432 -28.398 -2.705 528 HA SER 80 HA SER 80 -1.842 -31.283 -2.638 529 HB2 SER 80 1HB SER 80 -0.625 -29.056 -1.019 530 HB3 SER 80 2HB SER 80 -0.644 -30.713 -0.418 531 HG SER 80 HG SER 80 0.225 -30.956 -2.825 532 H SER 81 H SER 81 -2.359 -32.218 -0.407 533 HA SER 81 HA SER 81 -5.040 -31.297 0.320 534 HB2 SER 81 1HB SER 81 -3.653 -33.880 1.076 535 HB3 SER 81 2HB SER 81 -5.360 -33.496 1.299 536 HG SER 81 HG SER 81 -5.009 -34.759 -0.574 537 H GLY 82 H GLY 82 -5.568 -30.557 2.308 538 HA2 GLY 82 1HA GLY 82 -3.691 -30.858 4.520 539 HA3 GLY 82 2HA GLY 82 -3.986 -29.217 3.966 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -9.486 35.682 -28.718 2 HA2 GLY 1 1HA GLY 1 -9.273 35.688 -26.151 3 HA3 GLY 1 2HA GLY 1 -10.452 34.389 -26.256 4 H SER 2 H SER 2 -7.687 34.400 -25.221 5 HA SER 2 HA SER 2 -6.741 32.092 -26.750 6 HB2 SER 2 1HB SER 2 -4.414 32.916 -26.679 7 HB3 SER 2 2HB SER 2 -5.454 33.991 -27.612 8 HG SER 2 HG SER 2 -4.151 34.421 -25.209 9 H SER 3 H SER 3 -6.221 30.448 -25.464 10 HA SER 3 HA SER 3 -6.046 30.943 -22.584 11 HB2 SER 3 1HB SER 3 -6.589 28.459 -24.211 12 HB3 SER 3 2HB SER 3 -6.273 28.400 -22.477 13 HG SER 3 HG SER 3 -8.181 30.229 -23.315 14 H GLY 4 H GLY 4 -4.318 29.273 -25.196 15 HA2 GLY 4 1HA GLY 4 -2.219 28.264 -25.168 16 HA3 GLY 4 2HA GLY 4 -1.775 29.891 -24.673 17 H SER 5 H SER 5 -2.957 26.816 -23.330 18 HA SER 5 HA SER 5 -1.477 27.418 -20.860 19 HB2 SER 5 1HB SER 5 -2.922 25.783 -19.758 20 HB3 SER 5 2HB SER 5 -3.900 26.995 -20.586 21 HG SER 5 HG SER 5 -4.776 25.401 -21.614 22 H SER 6 H SER 6 0.532 26.632 -21.075 23 HA SER 6 HA SER 6 1.244 24.380 -22.613 24 HB2 SER 6 1HB SER 6 3.439 24.607 -21.648 25 HB3 SER 6 2HB SER 6 2.796 26.229 -21.908 26 HG SER 6 HG SER 6 2.564 24.873 -19.435 27 H GLY 7 H GLY 7 0.671 24.786 -19.136 28 HA2 GLY 7 1HA GLY 7 -0.534 22.874 -18.090 29 HA3 GLY 7 2HA GLY 7 0.628 21.839 -18.906 30 H GLN 8 H GLN 8 -0.142 23.179 -16.008 31 HA GLN 8 HA GLN 8 2.533 23.717 -15.063 32 HB2 GLN 8 1HB GLN 8 0.674 25.007 -14.165 33 HB3 GLN 8 2HB GLN 8 -0.104 23.535 -13.597 34 HG2 GLN 8 1HG GLN 8 0.915 24.591 -11.731 35 HG3 GLN 8 2HG GLN 8 1.855 23.150 -12.114 36 HE21 GLN 8 1HE2 GLN 8 3.393 24.417 -10.732 37 HE22 GLN 8 2HE2 GLN 8 4.462 25.505 -11.542 38 H HIS 9 H HIS 9 3.498 21.664 -15.529 39 HA HIS 9 HA HIS 9 3.298 19.839 -13.305 40 HB2 HIS 9 1HB HIS 9 3.029 17.846 -14.874 41 HB3 HIS 9 2HB HIS 9 1.587 18.811 -14.577 42 HD1 HIS 9 1HD HIS 9 4.247 18.306 -17.223 43 HD2 HIS 9 2HD HIS 9 0.400 19.823 -16.820 44 HE1 HIS 9 1HE HIS 9 3.472 18.804 -19.563 45 H GLN 10 H GLN 10 5.275 19.153 -12.808 46 HA GLN 10 HA GLN 10 7.576 19.958 -14.088 47 HB2 GLN 10 1HB GLN 10 7.207 17.481 -12.394 48 HB3 GLN 10 2HB GLN 10 8.749 18.240 -12.769 49 HG2 GLN 10 1HG GLN 10 6.503 19.520 -11.228 50 HG3 GLN 10 2HG GLN 10 7.953 18.804 -10.527 51 HE21 GLN 10 1HE2 GLN 10 7.228 21.426 -10.054 52 HE22 GLN 10 2HE2 GLN 10 8.381 22.477 -10.796 53 H GLU 11 H GLU 11 9.305 18.381 -14.945 54 HA GLU 11 HA GLU 11 8.231 17.177 -17.324 55 HB2 GLU 11 1HB GLU 11 10.437 18.469 -17.103 56 HB3 GLU 11 2HB GLU 11 11.091 16.997 -16.398 57 HG2 GLU 11 1HG GLU 11 10.683 15.773 -18.410 58 HG3 GLU 11 2HG GLU 11 9.809 17.132 -19.115 59 H ALA 12 H ALA 12 10.217 15.949 -14.627 60 HA ALA 12 HA ALA 12 8.751 13.478 -14.566 61 HB1 ALA 12 1HB ALA 12 10.415 13.262 -16.490 62 HB2 ALA 12 2HB ALA 12 11.664 13.218 -15.244 63 HB3 ALA 12 3HB ALA 12 10.406 11.981 -15.277 64 H GLY 13 H GLY 13 9.667 11.967 -12.897 65 HA2 GLY 13 1HA GLY 13 11.654 12.557 -11.087 66 HA3 GLY 13 2HA GLY 13 10.249 13.450 -10.524 67 H ALA 14 H ALA 14 10.844 11.894 -8.670 68 HA ALA 14 HA ALA 14 9.485 9.313 -9.064 69 HB1 ALA 14 1HB ALA 14 11.235 9.964 -6.718 70 HB2 ALA 14 2HB ALA 14 10.794 8.385 -7.371 71 HB3 ALA 14 3HB ALA 14 11.916 9.422 -8.252 72 H GLY 15 H GLY 15 8.025 8.562 -7.445 73 HA2 GLY 15 1HA GLY 15 6.611 10.770 -6.129 74 HA3 GLY 15 2HA GLY 15 5.945 9.181 -6.477 75 H ASP 16 H ASP 16 8.253 10.900 -4.421 76 HA ASP 16 HA ASP 16 8.454 8.688 -2.576 77 HB2 ASP 16 1HB ASP 16 9.575 11.480 -2.638 78 HB3 ASP 16 2HB ASP 16 9.719 10.472 -1.200 79 H LEU 17 H LEU 17 5.906 8.944 -2.582 80 HA LEU 17 HA LEU 17 5.267 10.271 -0.053 81 HB2 LEU 17 1HB LEU 17 3.333 10.436 -2.329 82 HB3 LEU 17 2HB LEU 17 3.397 11.396 -0.853 83 HG LEU 17 HG LEU 17 5.564 11.639 -2.905 84 HD11 LEU 17 1HD1 LEU 17 3.826 12.081 -4.340 85 HD12 LEU 17 2HD1 LEU 17 4.112 13.678 -3.650 86 HD13 LEU 17 3HD1 LEU 17 2.777 12.689 -3.059 87 HD21 LEU 17 1HD2 LEU 17 4.515 13.212 -0.602 88 HD22 LEU 17 2HD2 LEU 17 5.283 14.066 -1.941 89 HD23 LEU 17 3HD2 LEU 17 6.179 12.835 -1.049 90 H CYS 18 H CYS 18 3.877 9.154 1.223 91 HA CYS 18 HA CYS 18 3.546 6.480 1.091 92 HB2 CYS 18 1HB CYS 18 2.894 7.547 3.093 93 HB3 CYS 18 2HB CYS 18 1.728 8.574 2.265 94 H ALA 19 H ALA 19 1.615 5.127 0.693 95 HA ALA 19 HA ALA 19 0.420 5.851 -1.878 96 HB1 ALA 19 1HB ALA 19 0.014 3.160 -0.697 97 HB2 ALA 19 2HB ALA 19 0.301 3.633 -2.372 98 HB3 ALA 19 3HB ALA 19 1.641 3.588 -1.226 99 H LEU 20 H LEU 20 -0.483 4.795 1.375 100 HA LEU 20 HA LEU 20 -3.219 4.507 1.034 101 HB2 LEU 20 1HB LEU 20 -1.423 5.096 3.300 102 HB3 LEU 20 2HB LEU 20 -3.121 5.507 3.532 103 HG LEU 20 HG LEU 20 -3.450 3.014 2.677 104 HD11 LEU 20 1HD1 LEU 20 -1.187 2.454 2.254 105 HD12 LEU 20 2HD1 LEU 20 -1.652 1.611 3.731 106 HD13 LEU 20 3HD1 LEU 20 -0.669 3.072 3.822 107 HD21 LEU 20 1HD2 LEU 20 -3.183 2.360 5.173 108 HD22 LEU 20 2HD2 LEU 20 -4.388 3.565 4.718 109 HD23 LEU 20 3HD2 LEU 20 -2.845 4.075 5.407 110 H CYS 21 H CYS 21 -1.836 7.339 2.683 111 HA CYS 21 HA CYS 21 -4.100 8.945 1.888 112 HB2 CYS 21 1HB CYS 21 -2.948 10.731 3.205 113 HB3 CYS 21 2HB CYS 21 -3.252 9.258 4.120 114 H GLY 22 H GLY 22 -0.574 9.081 1.381 115 HA2 GLY 22 1HA GLY 22 0.346 9.554 -0.787 116 HA3 GLY 22 2HA GLY 22 -1.097 10.491 -1.150 117 H GLU 23 H GLU 23 0.934 10.627 1.748 118 HA GLU 23 HA GLU 23 1.416 13.468 1.155 119 HB2 GLU 23 1HB GLU 23 1.455 12.000 3.797 120 HB3 GLU 23 2HB GLU 23 1.834 13.704 3.590 121 HG2 GLU 23 1HG GLU 23 -0.458 14.038 2.684 122 HG3 GLU 23 2HG GLU 23 -0.811 12.361 3.096 123 H HIS 24 H HIS 24 3.509 14.261 2.323 124 HA HIS 24 HA HIS 24 5.700 13.140 1.005 125 HB2 HIS 24 1HB HIS 24 5.327 15.482 2.198 126 HB3 HIS 24 2HB HIS 24 6.148 14.670 3.528 127 HD1 HIS 24 1HD HIS 24 6.748 16.314 0.298 128 HD2 HIS 24 2HD HIS 24 8.834 13.834 2.898 129 HE1 HIS 24 1HE HIS 24 9.157 16.474 -0.407 130 H LEU 25 H LEU 25 7.402 11.843 1.669 131 HA LEU 25 HA LEU 25 6.881 10.263 4.099 132 HB2 LEU 25 1HB LEU 25 8.172 9.542 1.484 133 HB3 LEU 25 2HB LEU 25 8.355 8.548 2.929 134 HG LEU 25 HG LEU 25 5.656 9.224 1.788 135 HD11 LEU 25 1HD1 LEU 25 7.685 7.387 0.755 136 HD12 LEU 25 2HD1 LEU 25 6.237 8.035 -0.016 137 HD13 LEU 25 3HD1 LEU 25 6.116 6.639 1.055 138 HD21 LEU 25 1HD2 LEU 25 4.898 7.381 3.077 139 HD22 LEU 25 2HD2 LEU 25 5.907 8.364 4.138 140 HD23 LEU 25 3HD2 LEU 25 6.546 6.873 3.444 141 H TYR 26 H TYR 26 8.606 9.715 5.457 142 HA TYR 26 HA TYR 26 10.940 11.483 5.192 143 HB2 TYR 26 1HB TYR 26 9.410 11.630 7.235 144 HB3 TYR 26 2HB TYR 26 10.068 10.067 7.708 145 HD1 TYR 26 1HD TYR 26 11.735 13.054 6.215 146 HD2 TYR 26 2HD TYR 26 11.414 10.444 9.559 147 HE1 TYR 26 1HE TYR 26 13.645 14.185 7.273 148 HE2 TYR 26 2HE TYR 26 13.322 11.569 10.628 149 HH TYR 26 HH TYR 26 15.302 12.919 9.906 150 H VAL 27 H VAL 27 12.963 10.572 6.272 151 HA VAL 27 HA VAL 27 13.631 8.118 4.956 152 HB VAL 27 HB VAL 27 15.857 8.416 6.051 153 HG11 VAL 27 1HG1 VAL 27 14.724 9.805 3.959 154 HG12 VAL 27 2HG1 VAL 27 15.462 11.075 4.937 155 HG13 VAL 27 3HG1 VAL 27 16.443 9.734 4.346 156 HG21 VAL 27 1HG2 VAL 27 15.860 9.574 7.963 157 HG22 VAL 27 2HG2 VAL 27 15.816 11.016 6.948 158 HG23 VAL 27 3HG2 VAL 27 14.318 10.349 7.597 159 H LEU 28 H LEU 28 12.466 8.956 8.068 160 HA LEU 28 HA LEU 28 13.094 6.250 9.051 161 HB2 LEU 28 1HB LEU 28 12.769 8.836 10.555 162 HB3 LEU 28 2HB LEU 28 12.789 7.258 11.340 163 HG LEU 28 HG LEU 28 15.068 8.351 9.695 164 HD11 LEU 28 1HD1 LEU 28 15.744 9.551 11.430 165 HD12 LEU 28 2HD1 LEU 28 15.617 8.154 12.498 166 HD13 LEU 28 3HD1 LEU 28 14.216 9.192 12.235 167 HD21 LEU 28 1HD2 LEU 28 14.996 6.080 11.675 168 HD22 LEU 28 2HD2 LEU 28 16.342 6.558 10.641 169 HD23 LEU 28 3HD2 LEU 28 14.880 5.877 9.927 170 H GLU 29 H GLU 29 10.738 7.585 7.542 171 HA GLU 29 HA GLU 29 8.648 6.474 9.295 172 HB2 GLU 29 1HB GLU 29 8.444 8.906 7.510 173 HB3 GLU 29 2HB GLU 29 7.087 8.161 8.344 174 HG2 GLU 29 1HG GLU 29 9.502 9.202 9.790 175 HG3 GLU 29 2HG GLU 29 8.098 10.204 9.425 176 H ARG 30 H ARG 30 9.980 6.812 6.109 177 HA ARG 30 HA ARG 30 7.815 5.650 4.676 178 HB2 ARG 30 1HB ARG 30 9.203 5.717 2.798 179 HB3 ARG 30 2HB ARG 30 9.779 7.059 3.777 180 HG2 ARG 30 1HG ARG 30 11.587 5.598 4.633 181 HG3 ARG 30 2HG ARG 30 11.041 4.340 3.522 182 HD2 ARG 30 1HD ARG 30 11.287 6.275 1.751 183 HD3 ARG 30 2HD ARG 30 12.401 6.927 2.952 184 HE ARG 30 HE ARG 30 12.833 4.670 1.243 185 HH11 ARG 30 2HH1 ARG 30 13.653 6.106 4.307 186 HH12 ARG 30 1HH1 ARG 30 15.177 5.291 4.428 187 HH21 ARG 30 2HH2 ARG 30 14.838 3.592 1.391 188 HH22 ARG 30 1HH2 ARG 30 15.851 3.862 2.769 189 H LEU 31 H LEU 31 7.413 3.562 4.112 190 HA LEU 31 HA LEU 31 9.164 1.514 5.305 191 HB2 LEU 31 1HB LEU 31 6.214 1.808 5.211 192 HB3 LEU 31 2HB LEU 31 6.872 0.179 5.075 193 HG LEU 31 HG LEU 31 8.012 0.482 7.237 194 HD11 LEU 31 1HD1 LEU 31 7.542 3.188 6.777 195 HD12 LEU 31 2HD1 LEU 31 8.229 2.456 8.227 196 HD13 LEU 31 3HD1 LEU 31 6.495 2.763 8.132 197 HD21 LEU 31 1HD2 LEU 31 6.138 0.060 8.544 198 HD22 LEU 31 2HD2 LEU 31 5.599 -0.370 6.920 199 HD23 LEU 31 3HD2 LEU 31 5.124 1.176 7.627 200 H CYS 32 H CYS 32 10.343 0.666 3.710 201 HA CYS 32 HA CYS 32 9.505 0.562 0.997 202 HB2 CYS 32 1HB CYS 32 11.548 -0.854 0.690 203 HB3 CYS 32 2HB CYS 32 11.856 0.687 1.482 204 HG CYS 32 HG CYS 32 12.289 -2.424 2.625 205 H VAL 33 H VAL 33 7.738 -0.628 0.547 206 HA VAL 33 HA VAL 33 7.817 -3.479 1.286 207 HB VAL 33 HB VAL 33 5.353 -1.739 1.110 208 HG11 VAL 33 1HG1 VAL 33 4.042 -3.584 1.298 209 HG12 VAL 33 2HG1 VAL 33 5.400 -4.320 0.444 210 HG13 VAL 33 3HG1 VAL 33 5.258 -4.494 2.194 211 HG21 VAL 33 1HG2 VAL 33 5.933 -3.162 3.601 212 HG22 VAL 33 2HG2 VAL 33 7.110 -1.913 3.194 213 HG23 VAL 33 3HG2 VAL 33 5.402 -1.500 3.340 214 H ASN 34 H ASN 34 8.578 -4.250 -0.642 215 HA ASN 34 HA ASN 34 8.492 -5.010 -2.784 216 HB2 ASN 34 1HB ASN 34 5.611 -4.088 -2.668 217 HB3 ASN 34 2HB ASN 34 6.300 -5.149 -3.893 218 HD21 ASN 34 1HD2 ASN 34 4.980 -6.865 -3.440 219 HD22 ASN 34 2HD2 ASN 34 5.091 -7.781 -1.979 220 H GLY 35 H GLY 35 9.164 -2.202 -2.133 221 HA2 GLY 35 1HA GLY 35 10.141 -0.710 -3.731 222 HA3 GLY 35 2HA GLY 35 8.867 -1.143 -4.861 223 H HIS 36 H HIS 36 6.707 -0.865 -2.972 224 HA HIS 36 HA HIS 36 6.343 1.983 -3.191 225 HB2 HIS 36 1HB HIS 36 4.496 0.008 -1.847 226 HB3 HIS 36 2HB HIS 36 4.084 1.587 -2.509 227 HD1 HIS 36 1HD HIS 36 5.097 1.503 -5.300 228 HD2 HIS 36 2HD HIS 36 3.366 -1.810 -3.486 229 HE1 HIS 36 1HE HIS 36 4.303 0.042 -7.186 230 H PHE 37 H PHE 37 5.876 3.415 -1.468 231 HA PHE 37 HA PHE 37 7.063 2.580 1.094 232 HB2 PHE 37 1HB PHE 37 6.917 5.311 -0.195 233 HB3 PHE 37 2HB PHE 37 7.496 5.025 1.443 234 HD1 PHE 37 2HD PHE 37 9.400 3.203 1.620 235 HD2 PHE 37 1HD PHE 37 8.453 5.410 -1.894 236 HE1 PHE 37 2HE PHE 37 11.660 2.775 0.747 237 HE2 PHE 37 1HE PHE 37 10.712 4.985 -2.774 238 HZ PHE 37 HZ PHE 37 12.319 3.667 -1.452 239 H PHE 38 H PHE 38 5.981 2.920 2.982 240 HA PHE 38 HA PHE 38 3.377 4.271 2.852 241 HB2 PHE 38 1HB PHE 38 3.877 1.587 4.156 242 HB3 PHE 38 2HB PHE 38 2.365 2.487 4.212 243 HD1 PHE 38 1HD PHE 38 4.634 0.551 2.073 244 HD2 PHE 38 2HD PHE 38 0.869 2.518 2.350 245 HE1 PHE 38 1HE PHE 38 3.911 -0.547 -0.007 246 HE2 PHE 38 2HE PHE 38 0.140 1.422 0.271 247 HZ PHE 38 HZ PHE 38 1.661 -0.113 -0.910 248 H HIS 39 H HIS 39 2.634 5.143 4.829 249 HA HIS 39 HA HIS 39 4.728 6.068 6.541 250 HB2 HIS 39 1HB HIS 39 1.727 6.406 6.638 251 HB3 HIS 39 2HB HIS 39 2.826 7.162 7.788 252 HD2 HIS 39 2HD HIS 39 4.999 8.558 5.985 253 HE1 HIS 39 1HE HIS 39 1.791 10.049 3.642 254 HE2 HIS 39 2HE HIS 39 4.248 10.236 4.165 255 H ARG 40 H ARG 40 5.320 5.384 8.520 256 HA ARG 40 HA ARG 40 4.974 2.851 9.424 257 HB2 ARG 40 1HB ARG 40 5.457 5.394 10.961 258 HB3 ARG 40 2HB ARG 40 5.425 3.827 11.758 259 HG2 ARG 40 1HG ARG 40 7.330 3.081 10.621 260 HG3 ARG 40 2HG ARG 40 7.219 4.369 9.419 261 HD2 ARG 40 1HD ARG 40 8.915 5.153 10.762 262 HD3 ARG 40 2HD ARG 40 7.511 5.931 11.491 263 HE ARG 40 HE ARG 40 7.792 4.629 13.368 264 HH11 ARG 40 2HH1 ARG 40 9.824 3.451 10.798 265 HH12 ARG 40 1HH1 ARG 40 10.712 2.370 11.820 266 HH21 ARG 40 2HH2 ARG 40 8.955 3.210 14.724 267 HH22 ARG 40 1HH2 ARG 40 10.216 2.233 14.052 268 H SER 41 H SER 41 2.800 5.554 9.895 269 HA SER 41 HA SER 41 1.132 4.151 11.783 270 HB2 SER 41 1HB SER 41 -0.325 6.121 11.635 271 HB3 SER 41 2HB SER 41 1.354 6.603 11.878 272 HG SER 41 HG SER 41 0.575 7.871 10.253 273 H CYS 42 H CYS 42 0.605 5.406 8.484 274 HA CYS 42 HA CYS 42 -1.856 4.341 7.957 275 HB2 CYS 42 1HB CYS 42 0.522 4.905 6.233 276 HB3 CYS 42 2HB CYS 42 -0.861 4.073 5.528 277 H PHE 43 H PHE 43 1.256 2.738 7.277 278 HA PHE 43 HA PHE 43 0.355 0.347 6.292 279 HB2 PHE 43 1HB PHE 43 2.770 1.168 6.654 280 HB3 PHE 43 2HB PHE 43 2.634 0.450 8.256 281 HD1 PHE 43 2HD PHE 43 1.664 -0.593 4.802 282 HD2 PHE 43 1HD PHE 43 3.708 -1.562 8.408 283 HE1 PHE 43 2HE PHE 43 2.272 -2.785 3.865 284 HE2 PHE 43 1HE PHE 43 4.319 -3.755 7.476 285 HZ PHE 43 HZ PHE 43 3.600 -4.370 5.202 286 H ARG 44 H ARG 44 -1.467 -0.513 7.189 287 HA ARG 44 HA ARG 44 -1.132 -1.765 9.809 288 HB2 ARG 44 1HB ARG 44 -3.542 -0.104 9.046 289 HB3 ARG 44 2HB ARG 44 -3.400 -1.082 10.501 290 HG2 ARG 44 1HG ARG 44 -1.813 0.338 11.448 291 HG3 ARG 44 2HG ARG 44 -1.434 1.094 9.899 292 HD2 ARG 44 1HD ARG 44 -3.664 2.110 9.858 293 HD3 ARG 44 2HD ARG 44 -4.029 1.362 11.412 294 HE ARG 44 HE ARG 44 -2.178 3.580 10.938 295 HH11 ARG 44 2HH1 ARG 44 -3.776 1.414 13.147 296 HH12 ARG 44 1HH1 ARG 44 -3.396 2.357 14.550 297 HH21 ARG 44 2HH2 ARG 44 -1.672 4.829 12.778 298 HH22 ARG 44 1HH2 ARG 44 -2.201 4.299 14.339 299 H CYS 45 H CYS 45 -3.035 -3.302 10.233 300 HA CYS 45 HA CYS 45 -3.107 -5.246 8.249 301 HB2 CYS 45 1HB CYS 45 -3.616 -5.586 10.682 302 HB3 CYS 45 2HB CYS 45 -5.192 -4.852 10.402 303 H HIS 46 H HIS 46 -5.079 -6.110 7.161 304 HA HIS 46 HA HIS 46 -6.573 -3.888 5.954 305 HB2 HIS 46 1HB HIS 46 -5.287 -5.224 4.374 306 HB3 HIS 46 2HB HIS 46 -6.068 -6.695 4.945 307 HD1 HIS 46 1HD HIS 46 -6.499 -3.860 2.626 308 HD2 HIS 46 2HD HIS 46 -8.812 -6.948 4.166 309 HE1 HIS 46 1HE HIS 46 -8.538 -3.969 1.158 310 H THR 47 H THR 47 -6.983 -5.987 8.374 311 HA THR 47 HA THR 47 -9.868 -6.286 7.845 312 HB THR 47 HB THR 47 -7.980 -8.204 9.198 313 HG1 THR 47 1HG THR 47 -9.743 -8.274 6.983 314 HG21 THR 47 1HG2 THR 47 -10.998 -8.299 9.277 315 HG22 THR 47 2HG2 THR 47 -9.965 -7.868 10.640 316 HG23 THR 47 3HG2 THR 47 -9.889 -9.490 9.954 317 H CYS 48 H CYS 48 -7.346 -5.638 10.204 318 HA CYS 48 HA CYS 48 -9.406 -4.566 12.020 319 HB2 CYS 48 1HB CYS 48 -7.819 -5.070 13.882 320 HB3 CYS 48 2HB CYS 48 -8.417 -6.504 13.055 321 H GLU 49 H GLU 49 -6.916 -3.792 9.983 322 HA GLU 49 HA GLU 49 -5.596 -1.962 9.665 323 HB2 GLU 49 1HB GLU 49 -7.666 -0.576 11.374 324 HB3 GLU 49 2HB GLU 49 -6.579 0.182 10.219 325 HG2 GLU 49 1HG GLU 49 -7.740 -0.631 8.392 326 HG3 GLU 49 2HG GLU 49 -8.500 -1.921 9.322 327 H ALA 50 H ALA 50 -4.586 -3.552 11.610 328 HA ALA 50 HA ALA 50 -3.865 -1.800 13.848 329 HB1 ALA 50 1HB ALA 50 -4.644 -4.005 14.469 330 HB2 ALA 50 2HB ALA 50 -3.416 -4.755 13.449 331 HB3 ALA 50 3HB ALA 50 -2.935 -3.836 14.876 332 H THR 51 H THR 51 -1.897 -0.922 14.048 333 HA THR 51 HA THR 51 -0.128 -0.532 12.046 334 HB THR 51 HB THR 51 0.649 -0.864 14.951 335 HG1 THR 51 1HG THR 51 -0.986 0.699 14.664 336 HG21 THR 51 1HG2 THR 51 2.712 -0.667 14.023 337 HG22 THR 51 2HG2 THR 51 2.286 1.044 14.001 338 HG23 THR 51 3HG2 THR 51 2.094 0.069 12.544 339 H LEU 52 H LEU 52 0.612 -2.088 10.725 340 HA LEU 52 HA LEU 52 1.356 -4.693 11.637 341 HB2 LEU 52 1HB LEU 52 1.864 -3.327 8.997 342 HB3 LEU 52 2HB LEU 52 2.110 -5.042 9.324 343 HG LEU 52 HG LEU 52 -0.555 -3.629 9.421 344 HD11 LEU 52 1HD1 LEU 52 0.731 -5.323 7.291 345 HD12 LEU 52 2HD1 LEU 52 0.170 -3.657 7.155 346 HD13 LEU 52 3HD1 LEU 52 -0.995 -4.967 7.351 347 HD21 LEU 52 1HD2 LEU 52 -0.129 -5.712 10.858 348 HD22 LEU 52 2HD2 LEU 52 -0.068 -6.588 9.328 349 HD23 LEU 52 3HD2 LEU 52 -1.531 -5.716 9.789 350 H TRP 53 H TRP 53 3.011 -4.581 13.105 351 HA TRP 53 HA TRP 53 5.309 -2.975 12.844 352 HB2 TRP 53 1HB TRP 53 5.304 -5.595 14.320 353 HB3 TRP 53 2HB TRP 53 6.148 -4.102 14.724 354 HD1 TRP 53 HD TRP 53 2.812 -5.863 15.149 355 HE1 TRP 53 1HE TRP 53 1.354 -4.518 16.790 356 HE3 TRP 53 3HE TRP 53 5.699 -1.662 15.544 357 HZ2 TRP 53 2HZ TRP 53 1.419 -2.008 18.079 358 HZ3 TRP 53 3HZ TRP 53 4.930 0.165 17.001 359 HH2 TRP 53 HH TRP 53 2.834 -0.006 18.241 360 HA PRO 54 HA PRO 54 7.863 -5.107 9.982 361 HB2 PRO 54 1HB PRO 54 10.328 -4.695 11.042 362 HB3 PRO 54 2HB PRO 54 9.393 -3.416 10.259 363 HG2 PRO 54 1HG PRO 54 9.719 -4.011 13.175 364 HG3 PRO 54 2HG PRO 54 9.743 -2.445 12.343 365 HD2 PRO 54 1HD PRO 54 7.568 -3.353 13.675 366 HD3 PRO 54 2HD PRO 54 7.444 -2.326 12.232 367 H GLY 55 H GLY 55 7.025 -6.448 12.759 368 HA2 GLY 55 1HA GLY 55 8.549 -8.879 12.214 369 HA3 GLY 55 2HA GLY 55 8.706 -8.192 13.824 370 H GLY 56 H GLY 56 5.707 -7.972 12.062 371 HA2 GLY 56 1HA GLY 56 4.562 -10.333 13.254 372 HA3 GLY 56 2HA GLY 56 4.035 -8.841 14.020 373 H TYR 57 H TYR 57 4.660 -9.653 10.613 374 HA TYR 57 HA TYR 57 1.857 -9.552 9.959 375 HB2 TYR 57 1HB TYR 57 1.770 -7.567 8.767 376 HB3 TYR 57 2HB TYR 57 2.801 -7.117 10.121 377 HD1 TYR 57 2HD TYR 57 5.344 -7.229 9.746 378 HD2 TYR 57 1HD TYR 57 2.509 -7.266 6.573 379 HE1 TYR 57 2HE TYR 57 7.099 -6.515 8.177 380 HE2 TYR 57 1HE TYR 57 4.256 -6.554 4.995 381 HH TYR 57 HH TYR 57 6.981 -5.172 5.770 382 H GLU 58 H GLU 58 1.540 -9.769 7.543 383 HA GLU 58 HA GLU 58 3.754 -10.731 5.990 384 HB2 GLU 58 1HB GLU 58 1.832 -12.634 7.265 385 HB3 GLU 58 2HB GLU 58 2.448 -12.994 5.659 386 HG2 GLU 58 1HG GLU 58 4.768 -12.644 6.667 387 HG3 GLU 58 2HG GLU 58 3.962 -12.747 8.231 388 H GLN 59 H GLN 59 3.181 -11.175 3.793 389 HA GLN 59 HA GLN 59 0.632 -9.927 3.030 390 HB2 GLN 59 1HB GLN 59 2.638 -8.790 2.199 391 HB3 GLN 59 2HB GLN 59 3.172 -10.278 1.428 392 HG2 GLN 59 1HG GLN 59 1.212 -10.228 -0.028 393 HG3 GLN 59 2HG GLN 59 0.681 -8.734 0.742 394 HE21 GLN 59 1HE2 GLN 59 0.951 -8.660 -1.892 395 HE22 GLN 59 2HE2 GLN 59 2.365 -7.785 -2.361 396 H HIS 60 H HIS 60 -0.867 -11.458 2.743 397 HA HIS 60 HA HIS 60 -0.391 -14.125 2.034 398 HB2 HIS 60 1HB HIS 60 -2.502 -13.049 3.059 399 HB3 HIS 60 2HB HIS 60 -2.962 -12.696 1.396 400 HD1 HIS 60 1HD HIS 60 -3.954 -14.577 0.046 401 HD2 HIS 60 2HD HIS 60 -2.356 -15.858 3.661 402 HE1 HIS 60 1HE HIS 60 -4.675 -16.974 0.288 403 HA PRO 61 HA PRO 61 0.551 -13.585 -2.281 404 HB2 PRO 61 1HB PRO 61 0.757 -16.229 -2.861 405 HB3 PRO 61 2HB PRO 61 2.022 -15.330 -2.015 406 HG2 PRO 61 1HG PRO 61 -0.100 -17.121 -0.896 407 HG3 PRO 61 2HG PRO 61 1.617 -17.015 -0.465 408 HD2 PRO 61 1HD PRO 61 -0.332 -15.856 1.015 409 HD3 PRO 61 2HD PRO 61 1.297 -15.163 0.870 410 H GLY 62 H GLY 62 -1.817 -16.033 -1.225 411 HA2 GLY 62 1HA GLY 62 -3.169 -16.707 -3.424 412 HA3 GLY 62 2HA GLY 62 -4.018 -16.277 -1.947 413 H ASP 63 H ASP 63 -3.889 -13.660 -1.715 414 HA ASP 63 HA ASP 63 -5.267 -12.706 -4.117 415 HB2 ASP 63 1HB ASP 63 -5.166 -11.355 -1.419 416 HB3 ASP 63 2HB ASP 63 -6.303 -11.059 -2.731 417 H GLY 64 H GLY 64 -3.156 -11.213 -1.651 418 HA2 GLY 64 1HA GLY 64 -0.947 -10.418 -2.613 419 HA3 GLY 64 2HA GLY 64 -1.943 -9.628 -3.826 420 H HIS 65 H HIS 65 -2.722 -9.861 -0.403 421 HA HIS 65 HA HIS 65 -2.312 -6.951 -0.183 422 HB2 HIS 65 1HB HIS 65 -4.613 -8.667 0.632 423 HB3 HIS 65 2HB HIS 65 -4.212 -7.280 1.641 424 HD1 HIS 65 1HD HIS 65 -5.253 -5.141 0.957 425 HD2 HIS 65 2HD HIS 65 -5.048 -7.842 -2.193 426 HE1 HIS 65 1HE HIS 65 -6.446 -4.031 -0.958 427 H PHE 66 H PHE 66 -2.303 -6.296 2.245 428 HA PHE 66 HA PHE 66 -0.435 -8.114 3.609 429 HB2 PHE 66 1HB PHE 66 -0.771 -5.116 3.785 430 HB3 PHE 66 2HB PHE 66 0.270 -6.043 4.860 431 HD1 PHE 66 1HD PHE 66 2.289 -7.128 4.004 432 HD2 PHE 66 2HD PHE 66 -0.144 -4.669 1.524 433 HE1 PHE 66 1HE PHE 66 4.121 -6.970 2.368 434 HE2 PHE 66 2HE PHE 66 1.683 -4.508 -0.115 435 HZ PHE 66 HZ PHE 66 3.818 -5.660 0.305 436 H TYR 67 H TYR 67 -1.050 -9.054 5.439 437 HA TYR 67 HA TYR 67 -3.166 -7.804 7.047 438 HB2 TYR 67 1HB TYR 67 -3.069 -10.763 6.439 439 HB3 TYR 67 2HB TYR 67 -4.315 -9.902 7.336 440 HD1 TYR 67 2HD TYR 67 -2.901 -10.513 3.993 441 HD2 TYR 67 1HD TYR 67 -6.052 -8.699 6.201 442 HE1 TYR 67 2HE TYR 67 -4.165 -10.185 1.909 443 HE2 TYR 67 1HE TYR 67 -7.326 -8.367 4.123 444 HH TYR 67 HH TYR 67 -6.840 -8.164 1.679 445 H CYS 68 H CYS 68 -3.297 -8.742 9.259 446 HA CYS 68 HA CYS 68 -0.675 -8.875 10.402 447 HB2 CYS 68 1HB CYS 68 -1.831 -8.981 12.547 448 HB3 CYS 68 2HB CYS 68 -2.545 -7.731 11.534 449 H LEU 69 H LEU 69 -0.207 -10.587 12.113 450 HA LEU 69 HA LEU 69 -0.284 -13.154 10.825 451 HB2 LEU 69 1HB LEU 69 0.751 -12.462 13.568 452 HB3 LEU 69 2HB LEU 69 1.128 -13.903 12.625 453 HG LEU 69 HG LEU 69 2.010 -11.074 12.071 454 HD11 LEU 69 1HD1 LEU 69 3.300 -12.134 13.796 455 HD12 LEU 69 2HD1 LEU 69 4.259 -12.083 12.317 456 HD13 LEU 69 3HD1 LEU 69 3.490 -13.590 12.818 457 HD21 LEU 69 1HD2 LEU 69 2.647 -13.524 10.441 458 HD22 LEU 69 2HD2 LEU 69 3.065 -11.847 10.088 459 HD23 LEU 69 3HD2 LEU 69 1.382 -12.372 10.011 460 H GLN 70 H GLN 70 -2.714 -11.743 12.159 461 HA GLN 70 HA GLN 70 -3.627 -14.123 13.635 462 HB2 GLN 70 1HB GLN 70 -3.316 -12.179 15.125 463 HB3 GLN 70 2HB GLN 70 -4.434 -11.253 14.133 464 HG2 GLN 70 1HG GLN 70 -5.802 -11.924 15.835 465 HG3 GLN 70 2HG GLN 70 -6.075 -13.207 14.656 466 HE21 GLN 70 1HE2 GLN 70 -6.745 -13.788 17.138 467 HE22 GLN 70 2HE2 GLN 70 -5.602 -14.847 17.883 468 H HIS 71 H HIS 71 -4.178 -11.897 11.095 469 HA HIS 71 HA HIS 71 -6.862 -13.026 10.644 470 HB2 HIS 71 1HB HIS 71 -5.709 -10.318 10.064 471 HB3 HIS 71 2HB HIS 71 -7.054 -10.926 9.104 472 HD2 HIS 71 2HD HIS 71 -8.027 -12.276 12.317 473 HE1 HIS 71 1HE HIS 71 -9.267 -8.227 12.577 474 HE2 HIS 71 2HE HIS 71 -9.403 -10.516 13.620 475 H LEU 72 H LEU 72 -3.676 -12.702 9.432 476 HA LEU 72 HA LEU 72 -3.895 -12.866 6.713 477 HB2 LEU 72 1HB LEU 72 -1.789 -12.831 8.057 478 HB3 LEU 72 2HB LEU 72 -2.019 -14.552 8.362 479 HG LEU 72 HG LEU 72 -2.052 -14.659 5.722 480 HD11 LEU 72 1HD1 LEU 72 -1.768 -12.585 4.887 481 HD12 LEU 72 2HD1 LEU 72 -0.064 -12.932 5.183 482 HD13 LEU 72 3HD1 LEU 72 -0.987 -11.983 6.349 483 HD21 LEU 72 1HD2 LEU 72 -0.232 -15.845 6.163 484 HD22 LEU 72 2HD2 LEU 72 -0.143 -15.100 7.759 485 HD23 LEU 72 3HD2 LEU 72 0.702 -14.366 6.395 486 HA PRO 73 HA PRO 73 -6.367 -16.559 6.236 487 HB2 PRO 73 1HB PRO 73 -6.542 -16.399 3.532 488 HB3 PRO 73 2HB PRO 73 -7.518 -15.403 4.618 489 HG2 PRO 73 1HG PRO 73 -5.006 -14.701 3.148 490 HG3 PRO 73 2HG PRO 73 -6.481 -13.740 3.366 491 HD2 PRO 73 1HD PRO 73 -4.249 -13.338 4.844 492 HD3 PRO 73 2HD PRO 73 -5.882 -13.070 5.488 493 H GLN 74 H GLN 74 -6.214 -18.429 4.523 494 HA GLN 74 HA GLN 74 -3.496 -19.021 3.700 495 HB2 GLN 74 1HB GLN 74 -4.836 -20.321 6.008 496 HB3 GLN 74 2HB GLN 74 -3.948 -21.370 4.912 497 HG2 GLN 74 1HG GLN 74 -2.752 -18.920 6.173 498 HG3 GLN 74 2HG GLN 74 -2.673 -20.524 6.901 499 HE21 GLN 74 1HE2 GLN 74 -0.388 -19.155 6.297 500 HE22 GLN 74 2HE2 GLN 74 0.427 -19.926 4.983 501 H THR 75 H THR 75 -3.677 -19.766 1.704 502 HA THR 75 HA THR 75 -6.159 -21.019 0.835 503 HB THR 75 HB THR 75 -5.170 -19.262 -0.578 504 HG1 THR 75 1HG THR 75 -5.281 -21.900 -1.635 505 HG21 THR 75 1HG2 THR 75 -2.934 -19.216 -0.719 506 HG22 THR 75 2HG2 THR 75 -3.099 -20.493 -1.924 507 HG23 THR 75 3HG2 THR 75 -2.788 -20.905 -0.238 508 H ASP 76 H ASP 76 -6.299 -23.069 -0.070 509 HA ASP 76 HA ASP 76 -4.285 -24.942 0.859 510 HB2 ASP 76 1HB ASP 76 -5.904 -26.673 0.169 511 HB3 ASP 76 2HB ASP 76 -6.631 -25.483 1.244 512 H SER 77 H SER 77 -2.545 -24.554 -0.523 513 HA SER 77 HA SER 77 -2.968 -24.974 -3.388 514 HB2 SER 77 1HB SER 77 -0.654 -23.902 -1.779 515 HB3 SER 77 2HB SER 77 -0.488 -24.324 -3.483 516 HG SER 77 HG SER 77 -2.060 -22.310 -2.296 517 H GLY 78 H GLY 78 -3.330 -27.213 -3.397 518 HA2 GLY 78 1HA GLY 78 -1.467 -29.040 -2.202 519 HA3 GLY 78 2HA GLY 78 -2.789 -29.456 -3.282 520 HA PRO 79 HA PRO 79 1.158 -30.226 -5.556 521 HB2 PRO 79 1HB PRO 79 0.345 -32.588 -6.620 522 HB3 PRO 79 2HB PRO 79 1.086 -32.460 -5.021 523 HG2 PRO 79 1HG PRO 79 -1.808 -32.677 -5.756 524 HG3 PRO 79 2HG PRO 79 -0.919 -33.494 -4.457 525 HD2 PRO 79 1HD PRO 79 -2.477 -31.325 -4.015 526 HD3 PRO 79 2HD PRO 79 -1.014 -31.659 -3.066 527 H SER 80 H SER 80 1.130 -28.858 -7.244 528 HA SER 80 HA SER 80 -1.110 -28.788 -9.080 529 HB2 SER 80 1HB SER 80 1.446 -27.196 -8.870 530 HB3 SER 80 2HB SER 80 0.315 -26.999 -10.209 531 HG SER 80 HG SER 80 0.128 -25.628 -8.174 532 H SER 81 H SER 81 2.401 -29.343 -9.357 533 HA SER 81 HA SER 81 3.641 -30.545 -10.837 534 HB2 SER 81 1HB SER 81 2.178 -32.396 -10.050 535 HB3 SER 81 2HB SER 81 1.058 -32.035 -11.363 536 HG SER 81 HG SER 81 2.787 -33.740 -11.648 537 H GLY 82 H GLY 82 2.742 -28.126 -11.772 538 HA2 GLY 82 1HA GLY 82 2.971 -27.088 -13.857 539 HA3 GLY 82 2HA GLY 82 2.714 -28.642 -14.634 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -26.603 -0.534 -16.782 2 HA2 GLY 1 1HA GLY 1 -26.609 0.868 -14.595 3 HA3 GLY 1 2HA GLY 1 -25.087 0.030 -14.330 4 H SER 2 H SER 2 -25.248 2.800 -14.438 5 HA SER 2 HA SER 2 -23.381 3.333 -16.567 6 HB2 SER 2 1HB SER 2 -25.464 3.690 -17.777 7 HB3 SER 2 2HB SER 2 -26.051 4.759 -16.504 8 HG SER 2 HG SER 2 -23.600 5.426 -17.602 9 H SER 3 H SER 3 -21.816 4.331 -15.500 10 HA SER 3 HA SER 3 -22.476 6.640 -13.836 11 HB2 SER 3 1HB SER 3 -22.232 4.510 -12.415 12 HB3 SER 3 2HB SER 3 -20.519 4.582 -12.825 13 HG SER 3 HG SER 3 -20.548 6.746 -11.948 14 H GLY 4 H GLY 4 -20.710 8.097 -13.513 15 HA2 GLY 4 1HA GLY 4 -18.563 7.732 -15.511 16 HA3 GLY 4 2HA GLY 4 -19.270 9.289 -15.109 17 H SER 5 H SER 5 -16.671 9.320 -15.000 18 HA SER 5 HA SER 5 -16.080 9.833 -12.265 19 HB2 SER 5 1HB SER 5 -14.371 8.188 -11.867 20 HB3 SER 5 2HB SER 5 -15.829 7.329 -12.365 21 HG SER 5 HG SER 5 -14.902 7.319 -14.516 22 H SER 6 H SER 6 -13.639 10.352 -12.032 23 HA SER 6 HA SER 6 -12.960 12.088 -14.266 24 HB2 SER 6 1HB SER 6 -11.924 11.837 -11.443 25 HB3 SER 6 2HB SER 6 -11.142 12.868 -12.641 26 HG SER 6 HG SER 6 -12.689 14.271 -12.414 27 H GLY 7 H GLY 7 -10.491 12.303 -14.671 28 HA2 GLY 7 1HA GLY 7 -9.116 9.726 -14.577 29 HA3 GLY 7 2HA GLY 7 -9.473 10.380 -16.168 30 H GLN 8 H GLN 8 -7.016 9.978 -14.200 31 HA GLN 8 HA GLN 8 -5.865 12.654 -14.548 32 HB2 GLN 8 1HB GLN 8 -4.265 12.081 -12.878 33 HB3 GLN 8 2HB GLN 8 -5.834 11.558 -12.281 34 HG2 GLN 8 1HG GLN 8 -5.352 9.281 -12.787 35 HG3 GLN 8 2HG GLN 8 -3.878 9.728 -13.644 36 HE21 GLN 8 1HE2 GLN 8 -2.103 10.530 -12.426 37 HE22 GLN 8 2HE2 GLN 8 -1.928 10.126 -10.756 38 H HIS 9 H HIS 9 -4.009 13.003 -15.708 39 HA HIS 9 HA HIS 9 -3.035 10.718 -17.295 40 HB2 HIS 9 1HB HIS 9 -2.329 12.601 -18.928 41 HB3 HIS 9 2HB HIS 9 -4.028 12.141 -18.861 42 HD1 HIS 9 1HD HIS 9 -5.669 13.954 -18.343 43 HD2 HIS 9 2HD HIS 9 -1.757 15.069 -17.498 44 HE1 HIS 9 1HE HIS 9 -5.776 16.400 -17.769 45 H GLN 10 H GLN 10 -2.101 13.750 -15.721 46 HA GLN 10 HA GLN 10 0.516 14.018 -16.133 47 HB2 GLN 10 1HB GLN 10 -0.750 13.992 -13.388 48 HB3 GLN 10 2HB GLN 10 0.796 14.729 -13.786 49 HG2 GLN 10 1HG GLN 10 -1.801 15.541 -15.061 50 HG3 GLN 10 2HG GLN 10 -1.143 16.302 -13.613 51 HE21 GLN 10 1HE2 GLN 10 0.596 17.663 -13.780 52 HE22 GLN 10 2HE2 GLN 10 1.219 18.219 -15.292 53 H GLU 11 H GLU 11 2.124 12.617 -16.324 54 HA GLU 11 HA GLU 11 2.055 9.998 -15.237 55 HB2 GLU 11 1HB GLU 11 3.311 10.890 -17.323 56 HB3 GLU 11 2HB GLU 11 4.571 11.339 -16.182 57 HG2 GLU 11 1HG GLU 11 3.481 8.550 -16.324 58 HG3 GLU 11 2HG GLU 11 4.795 9.100 -17.364 59 H ALA 12 H ALA 12 2.890 9.170 -13.408 60 HA ALA 12 HA ALA 12 3.269 10.537 -11.118 61 HB1 ALA 12 1HB ALA 12 5.165 8.495 -10.918 62 HB2 ALA 12 2HB ALA 12 3.469 8.432 -10.438 63 HB3 ALA 12 3HB ALA 12 3.949 7.901 -12.049 64 H GLY 13 H GLY 13 4.873 11.618 -10.043 65 HA2 GLY 13 1HA GLY 13 6.884 12.877 -11.608 66 HA3 GLY 13 2HA GLY 13 6.700 13.004 -9.865 67 H ALA 14 H ALA 14 7.799 11.555 -8.513 68 HA ALA 14 HA ALA 14 10.045 10.189 -9.833 69 HB1 ALA 14 1HB ALA 14 10.283 12.098 -8.027 70 HB2 ALA 14 2HB ALA 14 10.073 10.746 -6.914 71 HB3 ALA 14 3HB ALA 14 11.398 10.733 -8.077 72 H GLY 15 H GLY 15 7.666 9.837 -7.219 73 HA2 GLY 15 1HA GLY 15 6.487 7.700 -7.068 74 HA3 GLY 15 2HA GLY 15 8.009 6.912 -7.456 75 H ASP 16 H ASP 16 7.676 9.588 -5.207 76 HA ASP 16 HA ASP 16 8.404 7.744 -3.026 77 HB2 ASP 16 1HB ASP 16 9.128 10.662 -3.369 78 HB3 ASP 16 2HB ASP 16 9.526 9.681 -1.961 79 H LEU 17 H LEU 17 5.757 7.983 -3.565 80 HA LEU 17 HA LEU 17 4.799 9.604 -1.305 81 HB2 LEU 17 1HB LEU 17 3.090 9.143 -3.713 82 HB3 LEU 17 2HB LEU 17 2.957 10.389 -2.475 83 HG LEU 17 HG LEU 17 5.157 10.308 -4.534 84 HD11 LEU 17 1HD1 LEU 17 3.722 11.064 -6.042 85 HD12 LEU 17 2HD1 LEU 17 3.378 12.445 -5.001 86 HD13 LEU 17 3HD1 LEU 17 2.405 10.980 -4.871 87 HD21 LEU 17 1HD2 LEU 17 4.248 12.748 -3.093 88 HD22 LEU 17 2HD2 LEU 17 5.843 12.333 -3.722 89 HD23 LEU 17 3HD2 LEU 17 5.260 11.587 -2.233 90 H CYS 18 H CYS 18 3.351 8.643 0.037 91 HA CYS 18 HA CYS 18 3.238 5.976 0.435 92 HB2 CYS 18 1HB CYS 18 2.296 7.536 2.033 93 HB3 CYS 18 2HB CYS 18 1.007 7.961 0.911 94 H ALA 19 H ALA 19 1.493 4.382 0.135 95 HA ALA 19 HA ALA 19 0.479 4.512 -2.614 96 HB1 ALA 19 1HB ALA 19 1.942 2.590 -1.726 97 HB2 ALA 19 2HB ALA 19 0.475 2.045 -0.912 98 HB3 ALA 19 3HB ALA 19 0.508 2.185 -2.670 99 H LEU 20 H LEU 20 -0.548 4.000 0.716 100 HA LEU 20 HA LEU 20 -3.228 3.308 0.163 101 HB2 LEU 20 1HB LEU 20 -1.648 4.093 2.507 102 HB3 LEU 20 2HB LEU 20 -3.359 4.506 2.604 103 HG LEU 20 HG LEU 20 -3.595 1.951 1.865 104 HD11 LEU 20 1HD1 LEU 20 -1.930 0.570 2.927 105 HD12 LEU 20 2HD1 LEU 20 -1.053 1.994 3.485 106 HD13 LEU 20 3HD1 LEU 20 -1.147 1.636 1.760 107 HD21 LEU 20 1HD2 LEU 20 -4.739 2.620 3.759 108 HD22 LEU 20 2HD2 LEU 20 -3.282 3.210 4.559 109 HD23 LEU 20 3HD2 LEU 20 -3.569 1.475 4.418 110 H CYS 21 H CYS 21 -1.970 6.390 1.456 111 HA CYS 21 HA CYS 21 -4.379 7.756 0.595 112 HB2 CYS 21 1HB CYS 21 -3.359 9.729 1.702 113 HB3 CYS 21 2HB CYS 21 -3.474 8.333 2.769 114 H GLY 22 H GLY 22 -0.882 7.986 -0.035 115 HA2 GLY 22 1HA GLY 22 0.022 8.326 -2.207 116 HA3 GLY 22 2HA GLY 22 -1.512 9.024 -2.706 117 H GLU 23 H GLU 23 0.152 9.909 0.251 118 HA GLU 23 HA GLU 23 0.442 12.627 -0.813 119 HB2 GLU 23 1HB GLU 23 0.295 11.539 1.993 120 HB3 GLU 23 2HB GLU 23 0.801 13.188 1.655 121 HG2 GLU 23 1HG GLU 23 -1.756 12.248 0.482 122 HG3 GLU 23 2HG GLU 23 -1.703 12.579 2.212 123 H HIS 24 H HIS 24 2.345 13.777 0.571 124 HA HIS 24 HA HIS 24 4.742 12.747 -0.520 125 HB2 HIS 24 1HB HIS 24 4.080 15.191 0.163 126 HB3 HIS 24 2HB HIS 24 4.748 14.731 1.726 127 HD1 HIS 24 1HD HIS 24 7.323 13.812 1.583 128 HD2 HIS 24 2HD HIS 24 5.930 16.074 -1.611 129 HE1 HIS 24 1HE HIS 24 9.380 14.595 0.366 130 H LEU 25 H LEU 25 6.494 11.749 0.439 131 HA LEU 25 HA LEU 25 5.975 10.579 3.092 132 HB2 LEU 25 1HB LEU 25 7.497 9.512 0.726 133 HB3 LEU 25 2HB LEU 25 7.587 8.794 2.333 134 HG LEU 25 HG LEU 25 4.970 9.099 0.891 135 HD11 LEU 25 1HD1 LEU 25 6.876 6.769 0.723 136 HD12 LEU 25 2HD1 LEU 25 6.459 7.866 -0.593 137 HD13 LEU 25 3HD1 LEU 25 5.228 6.806 0.095 138 HD21 LEU 25 1HD2 LEU 25 5.985 7.399 3.157 139 HD22 LEU 25 2HD2 LEU 25 4.454 7.099 2.336 140 HD23 LEU 25 3HD2 LEU 25 4.711 8.617 3.196 141 H TYR 26 H TYR 26 7.627 10.506 4.609 142 HA TYR 26 HA TYR 26 9.840 12.366 4.088 143 HB2 TYR 26 1HB TYR 26 8.208 12.779 6.001 144 HB3 TYR 26 2HB TYR 26 8.929 11.380 6.790 145 HD1 TYR 26 1HD TYR 26 10.409 14.232 4.878 146 HD2 TYR 26 2HD TYR 26 10.232 12.099 8.555 147 HE1 TYR 26 1HE TYR 26 12.184 15.669 5.790 148 HE2 TYR 26 2HE TYR 26 12.006 13.531 9.478 149 HH TYR 26 HH TYR 26 13.639 15.948 7.485 150 H VAL 27 H VAL 27 11.959 11.822 4.560 151 HA VAL 27 HA VAL 27 12.934 9.374 3.955 152 HB VAL 27 HB VAL 27 14.350 11.363 4.283 153 HG11 VAL 27 1HG1 VAL 27 14.587 12.436 6.232 154 HG12 VAL 27 2HG1 VAL 27 13.161 11.533 6.747 155 HG13 VAL 27 3HG1 VAL 27 14.774 10.935 7.139 156 HG21 VAL 27 1HG2 VAL 27 16.001 9.880 4.239 157 HG22 VAL 27 2HG2 VAL 27 15.927 9.769 5.997 158 HG23 VAL 27 3HG2 VAL 27 14.971 8.670 5.003 159 H LEU 28 H LEU 28 11.514 10.328 6.979 160 HA LEU 28 HA LEU 28 12.284 7.779 8.211 161 HB2 LEU 28 1HB LEU 28 11.076 10.275 9.390 162 HB3 LEU 28 2HB LEU 28 11.391 8.797 10.298 163 HG LEU 28 HG LEU 28 13.506 10.477 8.952 164 HD11 LEU 28 1HD1 LEU 28 12.586 10.352 11.816 165 HD12 LEU 28 2HD1 LEU 28 12.597 11.754 10.745 166 HD13 LEU 28 3HD1 LEU 28 14.119 11.061 11.305 167 HD21 LEU 28 1HD2 LEU 28 15.016 9.109 10.404 168 HD22 LEU 28 2HD2 LEU 28 14.227 8.209 9.108 169 HD23 LEU 28 3HD2 LEU 28 13.633 8.074 10.764 170 H GLU 29 H GLU 29 9.418 9.830 7.704 171 HA GLU 29 HA GLU 29 7.597 7.778 8.523 172 HB2 GLU 29 1HB GLU 29 6.877 10.200 6.887 173 HB3 GLU 29 2HB GLU 29 5.867 9.310 8.018 174 HG2 GLU 29 1HG GLU 29 7.645 10.069 9.765 175 HG3 GLU 29 2HG GLU 29 8.018 11.299 8.559 176 H ARG 30 H ARG 30 9.015 6.427 6.808 177 HA ARG 30 HA ARG 30 7.179 5.938 4.613 178 HB2 ARG 30 1HB ARG 30 8.755 6.126 2.860 179 HB3 ARG 30 2HB ARG 30 8.932 7.594 3.813 180 HG2 ARG 30 1HG ARG 30 10.874 6.551 4.955 181 HG3 ARG 30 2HG ARG 30 10.730 5.181 3.852 182 HD2 ARG 30 1HD ARG 30 10.841 7.001 2.000 183 HD3 ARG 30 2HD ARG 30 11.528 8.006 3.276 184 HE ARG 30 HE ARG 30 12.861 5.514 3.156 185 HH11 ARG 30 2HH1 ARG 30 12.561 8.545 1.469 186 HH12 ARG 30 1HH1 ARG 30 14.155 8.475 0.792 187 HH21 ARG 30 2HH2 ARG 30 14.961 5.411 2.271 188 HH22 ARG 30 1HH2 ARG 30 15.518 6.691 1.248 189 H LEU 31 H LEU 31 6.933 3.818 4.291 190 HA LEU 31 HA LEU 31 8.927 2.007 5.481 191 HB2 LEU 31 1HB LEU 31 5.961 1.934 5.313 192 HB3 LEU 31 2HB LEU 31 6.831 0.402 5.269 193 HG LEU 31 HG LEU 31 7.859 0.954 7.443 194 HD11 LEU 31 1HD1 LEU 31 6.010 3.019 8.211 195 HD12 LEU 31 2HD1 LEU 31 6.998 3.543 6.848 196 HD13 LEU 31 3HD1 LEU 31 7.769 2.984 8.332 197 HD21 LEU 31 1HD2 LEU 31 6.120 -0.370 7.963 198 HD22 LEU 31 2HD2 LEU 31 4.985 0.558 6.982 199 HD23 LEU 31 3HD2 LEU 31 5.413 1.115 8.600 200 H CYS 32 H CYS 32 10.232 1.329 3.895 201 HA CYS 32 HA CYS 32 9.373 1.007 1.190 202 HB2 CYS 32 1HB CYS 32 11.651 1.611 1.529 203 HB3 CYS 32 2HB CYS 32 11.912 0.277 2.646 204 HG CYS 32 HG CYS 32 11.523 -1.662 0.552 205 H VAL 33 H VAL 33 7.959 -0.555 0.714 206 HA VAL 33 HA VAL 33 8.626 -3.299 1.533 207 HB VAL 33 HB VAL 33 5.794 -2.266 1.426 208 HG11 VAL 33 1HG1 VAL 33 6.669 -4.811 1.225 209 HG12 VAL 33 2HG1 VAL 33 6.512 -4.664 2.977 210 HG13 VAL 33 3HG1 VAL 33 5.121 -4.356 1.936 211 HG21 VAL 33 1HG2 VAL 33 5.769 -2.004 3.748 212 HG22 VAL 33 2HG2 VAL 33 7.284 -2.882 3.957 213 HG23 VAL 33 3HG2 VAL 33 7.292 -1.265 3.253 214 H ASN 34 H ASN 34 8.667 -4.701 -0.103 215 HA ASN 34 HA ASN 34 8.662 -5.453 -2.261 216 HB2 ASN 34 1HB ASN 34 5.833 -4.418 -1.997 217 HB3 ASN 34 2HB ASN 34 6.389 -5.431 -3.326 218 HD21 ASN 34 1HD2 ASN 34 6.652 -7.586 -3.018 219 HD22 ASN 34 2HD2 ASN 34 6.229 -8.405 -1.557 220 H GLY 35 H GLY 35 9.436 -2.606 -1.805 221 HA2 GLY 35 1HA GLY 35 10.425 -1.206 -3.447 222 HA3 GLY 35 2HA GLY 35 9.245 -1.785 -4.613 223 H HIS 36 H HIS 36 6.969 -1.392 -2.849 224 HA HIS 36 HA HIS 36 6.578 1.429 -3.363 225 HB2 HIS 36 1HB HIS 36 4.698 -0.650 -2.224 226 HB3 HIS 36 2HB HIS 36 4.246 0.993 -2.670 227 HD1 HIS 36 1HD HIS 36 4.728 1.541 -5.334 228 HD2 HIS 36 2HD HIS 36 4.340 -2.442 -4.217 229 HE1 HIS 36 1HE HIS 36 4.224 0.293 -7.458 230 H PHE 37 H PHE 37 6.047 2.993 -1.824 231 HA PHE 37 HA PHE 37 7.008 2.376 0.880 232 HB2 PHE 37 1HB PHE 37 6.685 5.021 -0.551 233 HB3 PHE 37 2HB PHE 37 7.225 4.851 1.116 234 HD1 PHE 37 1HD PHE 37 8.108 4.338 -2.401 235 HD2 PHE 37 2HD PHE 37 9.437 4.073 1.634 236 HE1 PHE 37 1HE PHE 37 10.427 4.083 -3.184 237 HE2 PHE 37 2HE PHE 37 11.757 3.820 0.857 238 HZ PHE 37 HZ PHE 37 12.255 3.825 -1.555 239 H PHE 38 H PHE 38 5.861 3.086 2.719 240 HA PHE 38 HA PHE 38 3.150 4.081 2.344 241 HB2 PHE 38 1HB PHE 38 3.664 1.550 3.914 242 HB3 PHE 38 2HB PHE 38 2.106 2.303 3.595 243 HD1 PHE 38 1HD PHE 38 5.024 0.823 1.818 244 HD2 PHE 38 2HD PHE 38 0.831 1.557 1.824 245 HE1 PHE 38 1HE PHE 38 4.784 -0.547 -0.211 246 HE2 PHE 38 2HE PHE 38 0.585 0.187 -0.204 247 HZ PHE 38 HZ PHE 38 2.562 -0.868 -1.225 248 H HIS 39 H HIS 39 2.288 5.101 4.156 249 HA HIS 39 HA HIS 39 4.146 6.270 5.926 250 HB2 HIS 39 1HB HIS 39 1.143 6.227 5.799 251 HB3 HIS 39 2HB HIS 39 1.977 6.997 7.146 252 HD2 HIS 39 2HD HIS 39 4.244 8.688 5.632 253 HE1 HIS 39 1HE HIS 39 1.086 10.186 3.227 254 HE2 HIS 39 2HE HIS 39 3.488 10.480 3.927 255 H ARG 40 H ARG 40 3.867 6.235 8.349 256 HA ARG 40 HA ARG 40 4.183 3.544 9.265 257 HB2 ARG 40 1HB ARG 40 4.294 6.247 10.563 258 HB3 ARG 40 2HB ARG 40 4.278 4.792 11.551 259 HG2 ARG 40 1HG ARG 40 6.256 4.015 10.150 260 HG3 ARG 40 2HG ARG 40 6.345 5.679 9.570 261 HD2 ARG 40 1HD ARG 40 7.832 5.618 11.372 262 HD3 ARG 40 2HD ARG 40 6.370 6.343 12.040 263 HE ARG 40 HE ARG 40 6.329 3.545 12.421 264 HH11 ARG 40 2HH1 ARG 40 7.889 6.433 13.581 265 HH12 ARG 40 1HH1 ARG 40 8.197 5.789 15.160 266 HH21 ARG 40 2HH2 ARG 40 6.728 2.686 14.496 267 HH22 ARG 40 1HH2 ARG 40 7.537 3.657 15.679 268 H SER 41 H SER 41 1.544 5.699 9.002 269 HA SER 41 HA SER 41 -0.030 4.230 10.991 270 HB2 SER 41 1HB SER 41 -0.150 6.660 11.146 271 HB3 SER 41 2HB SER 41 -0.650 6.767 9.458 272 HG SER 41 HG SER 41 -2.110 5.339 11.422 273 H CYS 42 H CYS 42 -0.160 5.228 7.583 274 HA CYS 42 HA CYS 42 -2.531 3.965 6.869 275 HB2 CYS 42 1HB CYS 42 -0.046 4.667 5.330 276 HB3 CYS 42 2HB CYS 42 -1.376 3.818 4.549 277 H PHE 43 H PHE 43 0.735 2.675 7.129 278 HA PHE 43 HA PHE 43 0.101 0.133 5.993 279 HB2 PHE 43 1HB PHE 43 2.415 1.266 6.218 280 HB3 PHE 43 2HB PHE 43 2.406 0.630 7.860 281 HD1 PHE 43 1HD PHE 43 2.476 -1.777 8.262 282 HD2 PHE 43 2HD PHE 43 2.706 -0.170 4.328 283 HE1 PHE 43 1HE PHE 43 3.311 -3.938 7.432 284 HE2 PHE 43 2HE PHE 43 3.539 -2.328 3.491 285 HZ PHE 43 HZ PHE 43 3.842 -4.216 5.043 286 H ARG 44 H ARG 44 -1.494 -0.976 6.987 287 HA ARG 44 HA ARG 44 -0.943 -2.109 9.571 288 HB2 ARG 44 1HB ARG 44 -3.439 -1.351 10.206 289 HB3 ARG 44 2HB ARG 44 -2.012 -0.434 10.668 290 HG2 ARG 44 1HG ARG 44 -3.341 1.217 9.807 291 HG3 ARG 44 2HG ARG 44 -2.401 0.767 8.383 292 HD2 ARG 44 1HD ARG 44 -4.333 -0.877 7.910 293 HD3 ARG 44 2HD ARG 44 -5.244 0.103 9.057 294 HE ARG 44 HE ARG 44 -4.487 0.821 6.377 295 HH11 ARG 44 2HH1 ARG 44 -5.401 2.010 9.518 296 HH12 ARG 44 1HH1 ARG 44 -5.982 3.528 8.919 297 HH21 ARG 44 2HH2 ARG 44 -5.248 2.817 5.575 298 HH22 ARG 44 1HH2 ARG 44 -5.895 3.986 6.676 299 H CYS 45 H CYS 45 -2.734 -3.650 10.221 300 HA CYS 45 HA CYS 45 -3.165 -5.560 8.310 301 HB2 CYS 45 1HB CYS 45 -3.534 -5.751 10.813 302 HB3 CYS 45 2HB CYS 45 -5.116 -5.024 10.551 303 H HIS 46 H HIS 46 -5.240 -6.322 7.364 304 HA HIS 46 HA HIS 46 -6.705 -4.038 6.239 305 HB2 HIS 46 1HB HIS 46 -5.698 -5.294 4.499 306 HB3 HIS 46 2HB HIS 46 -6.189 -6.826 5.215 307 HD1 HIS 46 1HD HIS 46 -7.317 -4.170 2.919 308 HD2 HIS 46 2HD HIS 46 -8.964 -7.448 4.870 309 HE1 HIS 46 1HE HIS 46 -9.519 -4.594 1.780 310 H THR 47 H THR 47 -7.023 -6.347 8.574 311 HA THR 47 HA THR 47 -9.955 -6.437 8.273 312 HB THR 47 HB THR 47 -8.060 -8.458 9.454 313 HG1 THR 47 1HG THR 47 -9.677 -9.729 8.034 314 HG21 THR 47 1HG2 THR 47 -10.061 -9.703 10.217 315 HG22 THR 47 2HG2 THR 47 -11.054 -8.300 9.819 316 HG23 THR 47 3HG2 THR 47 -9.831 -8.185 11.084 317 H CYS 48 H CYS 48 -7.260 -5.803 10.402 318 HA CYS 48 HA CYS 48 -9.155 -4.819 12.435 319 HB2 CYS 48 1HB CYS 48 -7.351 -5.267 14.108 320 HB3 CYS 48 2HB CYS 48 -7.984 -6.719 13.340 321 H GLU 49 H GLU 49 -6.877 -3.954 10.172 322 HA GLU 49 HA GLU 49 -5.708 -2.054 9.720 323 HB2 GLU 49 1HB GLU 49 -7.669 -0.833 11.671 324 HB3 GLU 49 2HB GLU 49 -6.675 0.056 10.524 325 HG2 GLU 49 1HG GLU 49 -7.869 -1.489 8.775 326 HG3 GLU 49 2HG GLU 49 -9.082 -1.623 10.047 327 H ALA 50 H ALA 50 -4.830 -3.754 11.937 328 HA ALA 50 HA ALA 50 -3.742 -1.934 13.914 329 HB1 ALA 50 1HB ALA 50 -4.469 -4.074 14.707 330 HB2 ALA 50 2HB ALA 50 -3.445 -4.908 13.538 331 HB3 ALA 50 3HB ALA 50 -2.713 -3.995 14.857 332 H THR 51 H THR 51 -1.841 -0.950 13.762 333 HA THR 51 HA THR 51 -0.233 -0.760 11.610 334 HB THR 51 HB THR 51 0.752 -0.761 14.470 335 HG1 THR 51 1HG THR 51 0.264 1.418 14.413 336 HG21 THR 51 1HG2 THR 51 2.049 0.993 12.516 337 HG22 THR 51 2HG2 THR 51 2.290 -0.726 12.203 338 HG23 THR 51 3HG2 THR 51 2.757 -0.039 13.758 339 H LEU 52 H LEU 52 0.723 -2.253 10.403 340 HA LEU 52 HA LEU 52 1.473 -4.817 11.486 341 HB2 LEU 52 1HB LEU 52 1.830 -3.644 8.733 342 HB3 LEU 52 2HB LEU 52 2.176 -5.315 9.173 343 HG LEU 52 HG LEU 52 -0.552 -4.029 9.287 344 HD11 LEU 52 1HD1 LEU 52 -1.031 -5.464 7.328 345 HD12 LEU 52 2HD1 LEU 52 0.685 -5.861 7.239 346 HD13 LEU 52 3HD1 LEU 52 0.151 -4.198 6.994 347 HD21 LEU 52 1HD2 LEU 52 -1.300 -5.889 10.262 348 HD22 LEU 52 2HD2 LEU 52 0.388 -6.250 10.623 349 HD23 LEU 52 3HD2 LEU 52 -0.371 -6.928 9.182 350 H TRP 53 H TRP 53 3.225 -4.770 12.776 351 HA TRP 53 HA TRP 53 5.469 -3.073 12.337 352 HB2 TRP 53 1HB TRP 53 5.547 -5.562 14.024 353 HB3 TRP 53 2HB TRP 53 6.401 -4.041 14.264 354 HD1 TRP 53 HD TRP 53 3.012 -5.699 14.855 355 HE1 TRP 53 1HE TRP 53 1.653 -4.245 16.487 356 HE3 TRP 53 3HE TRP 53 6.093 -1.625 15.069 357 HZ2 TRP 53 2HZ TRP 53 1.860 -1.706 17.703 358 HZ3 TRP 53 3HZ TRP 53 5.439 0.274 16.490 359 HH2 TRP 53 HH TRP 53 3.366 0.233 17.779 360 HA PRO 54 HA PRO 54 7.917 -5.411 9.544 361 HB2 PRO 54 1HB PRO 54 10.421 -4.854 10.434 362 HB3 PRO 54 2HB PRO 54 9.417 -3.672 9.585 363 HG2 PRO 54 1HG PRO 54 9.900 -3.986 12.523 364 HG3 PRO 54 2HG PRO 54 9.846 -2.504 11.550 365 HD2 PRO 54 1HD PRO 54 7.761 -3.327 13.069 366 HD3 PRO 54 2HD PRO 54 7.542 -2.441 11.546 367 H GLY 55 H GLY 55 7.286 -6.474 12.509 368 HA2 GLY 55 1HA GLY 55 8.877 -8.905 12.117 369 HA3 GLY 55 2HA GLY 55 9.004 -8.079 13.663 370 H GLY 56 H GLY 56 6.089 -8.436 11.699 371 HA2 GLY 56 1HA GLY 56 5.001 -10.663 13.012 372 HA3 GLY 56 2HA GLY 56 4.494 -9.221 13.880 373 H TYR 57 H TYR 57 4.885 -9.993 10.422 374 HA TYR 57 HA TYR 57 2.048 -9.816 9.964 375 HB2 TYR 57 1HB TYR 57 1.963 -7.848 8.699 376 HB3 TYR 57 2HB TYR 57 2.977 -7.408 10.068 377 HD1 TYR 57 2HD TYR 57 5.557 -7.687 9.689 378 HD2 TYR 57 1HD TYR 57 2.699 -7.379 6.553 379 HE1 TYR 57 2HE TYR 57 7.335 -6.972 8.147 380 HE2 TYR 57 1HE TYR 57 4.468 -6.664 5.001 381 HH TYR 57 HH TYR 57 6.791 -6.675 4.728 382 H GLU 58 H GLU 58 1.578 -9.977 7.550 383 HA GLU 58 HA GLU 58 3.669 -11.064 5.896 384 HB2 GLU 58 1HB GLU 58 1.661 -12.822 7.234 385 HB3 GLU 58 2HB GLU 58 2.142 -13.202 5.586 386 HG2 GLU 58 1HG GLU 58 4.553 -13.007 6.512 387 HG3 GLU 58 2HG GLU 58 3.778 -13.216 8.081 388 H GLN 59 H GLN 59 3.051 -11.301 3.716 389 HA GLN 59 HA GLN 59 0.571 -9.879 3.055 390 HB2 GLN 59 1HB GLN 59 2.594 -8.867 2.167 391 HB3 GLN 59 2HB GLN 59 3.056 -10.387 1.411 392 HG2 GLN 59 1HG GLN 59 0.788 -10.160 0.172 393 HG3 GLN 59 2HG GLN 59 0.912 -8.463 0.635 394 HE21 GLN 59 1HE2 GLN 59 0.875 -9.289 -2.006 395 HE22 GLN 59 2HE2 GLN 59 2.414 -8.964 -2.720 396 H HIS 60 H HIS 60 -1.101 -11.076 2.465 397 HA HIS 60 HA HIS 60 -0.804 -13.826 1.702 398 HB2 HIS 60 1HB HIS 60 -2.731 -12.811 3.042 399 HB3 HIS 60 2HB HIS 60 -3.335 -12.199 1.505 400 HD1 HIS 60 1HD HIS 60 -4.550 -13.825 -0.002 401 HD2 HIS 60 2HD HIS 60 -2.775 -15.664 3.274 402 HE1 HIS 60 1HE HIS 60 -5.427 -16.182 0.003 403 HA PRO 61 HA PRO 61 -0.287 -12.959 -2.631 404 HB2 PRO 61 1HB PRO 61 -0.272 -15.550 -3.440 405 HB3 PRO 61 2HB PRO 61 1.117 -14.778 -2.666 406 HG2 PRO 61 1HG PRO 61 -0.963 -16.570 -1.473 407 HG3 PRO 61 2HG PRO 61 0.792 -16.571 -1.221 408 HD2 PRO 61 1HD PRO 61 -0.933 -15.464 0.548 409 HD3 PRO 61 2HD PRO 61 0.703 -14.828 0.284 410 H GLY 62 H GLY 62 -2.687 -15.311 -1.463 411 HA2 GLY 62 1HA GLY 62 -4.292 -15.814 -3.529 412 HA3 GLY 62 2HA GLY 62 -4.962 -15.368 -1.967 413 H ASP 63 H ASP 63 -4.487 -12.739 -1.740 414 HA ASP 63 HA ASP 63 -6.010 -11.620 -3.992 415 HB2 ASP 63 1HB ASP 63 -5.948 -11.059 -1.064 416 HB3 ASP 63 2HB ASP 63 -6.308 -9.722 -2.153 417 H GLY 64 H GLY 64 -3.417 -10.765 -1.701 418 HA2 GLY 64 1HA GLY 64 -1.318 -9.934 -2.679 419 HA3 GLY 64 2HA GLY 64 -2.304 -9.014 -3.806 420 H HIS 65 H HIS 65 -2.735 -9.386 -0.311 421 HA HIS 65 HA HIS 65 -2.147 -6.518 -0.005 422 HB2 HIS 65 1HB HIS 65 -4.448 -8.077 1.180 423 HB3 HIS 65 2HB HIS 65 -3.971 -6.477 1.739 424 HD1 HIS 65 1HD HIS 65 -5.285 -4.663 0.715 425 HD2 HIS 65 2HD HIS 65 -4.990 -7.952 -1.805 426 HE1 HIS 65 1HE HIS 65 -6.631 -4.069 -1.325 427 H PHE 66 H PHE 66 -2.286 -6.163 2.625 428 HA PHE 66 HA PHE 66 -0.401 -8.135 3.740 429 HB2 PHE 66 1HB PHE 66 -0.487 -5.137 4.107 430 HB3 PHE 66 2HB PHE 66 0.507 -6.209 5.089 431 HD1 PHE 66 2HD PHE 66 0.047 -4.714 1.787 432 HD2 PHE 66 1HD PHE 66 2.464 -7.281 4.170 433 HE1 PHE 66 2HE PHE 66 1.832 -4.596 0.098 434 HE2 PHE 66 1HE PHE 66 4.253 -7.167 2.485 435 HZ PHE 66 HZ PHE 66 3.938 -5.824 0.445 436 H TYR 67 H TYR 67 -1.099 -9.180 5.474 437 HA TYR 67 HA TYR 67 -3.077 -7.871 7.217 438 HB2 TYR 67 1HB TYR 67 -3.110 -10.816 6.552 439 HB3 TYR 67 2HB TYR 67 -4.327 -9.900 7.434 440 HD1 TYR 67 2HD TYR 67 -2.745 -10.234 4.085 441 HD2 TYR 67 1HD TYR 67 -6.139 -8.946 6.304 442 HE1 TYR 67 2HE TYR 67 -3.961 -9.839 1.984 443 HE2 TYR 67 1HE TYR 67 -7.366 -8.549 4.209 444 HH TYR 67 HH TYR 67 -6.819 -8.076 1.817 445 H CYS 68 H CYS 68 -3.209 -8.907 9.393 446 HA CYS 68 HA CYS 68 -0.580 -9.150 10.492 447 HB2 CYS 68 1HB CYS 68 -1.711 -9.344 12.645 448 HB3 CYS 68 2HB CYS 68 -2.413 -8.031 11.705 449 H LEU 69 H LEU 69 -0.120 -10.951 12.111 450 HA LEU 69 HA LEU 69 -0.275 -13.453 10.701 451 HB2 LEU 69 1HB LEU 69 0.856 -12.905 13.438 452 HB3 LEU 69 2HB LEU 69 1.174 -14.310 12.422 453 HG LEU 69 HG LEU 69 2.077 -11.475 11.920 454 HD11 LEU 69 1HD1 LEU 69 3.314 -12.695 13.664 455 HD12 LEU 69 2HD1 LEU 69 4.302 -12.364 12.242 456 HD13 LEU 69 3HD1 LEU 69 3.648 -13.981 12.505 457 HD21 LEU 69 1HD2 LEU 69 3.135 -12.263 9.932 458 HD22 LEU 69 2HD2 LEU 69 1.436 -12.728 9.853 459 HD23 LEU 69 3HD2 LEU 69 2.661 -13.927 10.270 460 H GLN 70 H GLN 70 -2.649 -12.076 12.136 461 HA GLN 70 HA GLN 70 -3.568 -14.507 13.523 462 HB2 GLN 70 1HB GLN 70 -3.095 -12.417 14.968 463 HB3 GLN 70 2HB GLN 70 -4.552 -11.757 14.236 464 HG2 GLN 70 1HG GLN 70 -5.846 -13.632 15.097 465 HG3 GLN 70 2HG GLN 70 -4.388 -14.315 15.814 466 HE21 GLN 70 1HE2 GLN 70 -4.608 -14.125 17.930 467 HE22 GLN 70 2HE2 GLN 70 -5.047 -12.684 18.775 468 H HIS 71 H HIS 71 -4.097 -12.200 11.085 469 HA HIS 71 HA HIS 71 -6.839 -13.203 10.680 470 HB2 HIS 71 1HB HIS 71 -5.645 -10.491 10.142 471 HB3 HIS 71 2HB HIS 71 -7.115 -11.026 9.333 472 HD2 HIS 71 2HD HIS 71 -7.497 -12.404 12.735 473 HE1 HIS 71 1HE HIS 71 -8.984 -8.442 13.031 474 HE2 HIS 71 2HE HIS 71 -8.777 -10.677 14.173 475 H LEU 72 H LEU 72 -3.685 -12.867 9.390 476 HA LEU 72 HA LEU 72 -3.992 -12.848 6.675 477 HB2 LEU 72 1HB LEU 72 -1.842 -12.929 7.923 478 HB3 LEU 72 2HB LEU 72 -2.101 -14.654 8.172 479 HG LEU 72 HG LEU 72 -2.246 -14.613 5.513 480 HD11 LEU 72 1HD1 LEU 72 -1.343 -12.856 4.476 481 HD12 LEU 72 2HD1 LEU 72 -0.031 -12.726 5.646 482 HD13 LEU 72 3HD1 LEU 72 -1.596 -11.991 5.992 483 HD21 LEU 72 1HD2 LEU 72 -0.612 -15.733 7.226 484 HD22 LEU 72 2HD2 LEU 72 0.493 -14.470 6.683 485 HD23 LEU 72 3HD2 LEU 72 -0.179 -15.613 5.520 486 HA PRO 73 HA PRO 73 -6.571 -16.462 6.091 487 HB2 PRO 73 1HB PRO 73 -6.936 -16.071 3.429 488 HB3 PRO 73 2HB PRO 73 -7.821 -15.166 4.663 489 HG2 PRO 73 1HG PRO 73 -5.413 -14.355 3.081 490 HG3 PRO 73 2HG PRO 73 -6.857 -13.409 3.484 491 HD2 PRO 73 1HD PRO 73 -4.521 -13.145 4.828 492 HD3 PRO 73 2HD PRO 73 -6.101 -12.924 5.606 493 H GLN 74 H GLN 74 -6.565 -18.120 4.111 494 HA GLN 74 HA GLN 74 -3.965 -18.662 3.011 495 HB2 GLN 74 1HB GLN 74 -4.954 -20.100 5.416 496 HB3 GLN 74 2HB GLN 74 -4.183 -21.067 4.166 497 HG2 GLN 74 1HG GLN 74 -2.990 -18.756 5.675 498 HG3 GLN 74 2HG GLN 74 -2.543 -20.457 5.790 499 HE21 GLN 74 1HE2 GLN 74 -2.379 -17.570 3.858 500 HE22 GLN 74 2HE2 GLN 74 -1.131 -18.110 2.793 501 H THR 75 H THR 75 -4.311 -19.473 1.060 502 HA THR 75 HA THR 75 -6.898 -20.680 0.452 503 HB THR 75 HB THR 75 -6.293 -18.995 -1.109 504 HG1 THR 75 1HG THR 75 -6.734 -20.194 -2.811 505 HG21 THR 75 1HG2 THR 75 -3.968 -19.905 -2.392 506 HG22 THR 75 2HG2 THR 75 -3.629 -19.983 -0.663 507 HG23 THR 75 3HG2 THR 75 -4.147 -18.464 -1.393 508 H ASP 76 H ASP 76 -7.095 -22.809 0.587 509 HA ASP 76 HA ASP 76 -6.425 -25.008 0.875 510 HB2 ASP 76 1HB ASP 76 -5.193 -24.680 -1.842 511 HB3 ASP 76 2HB ASP 76 -6.147 -26.020 -1.211 512 H SER 77 H SER 77 -4.577 -23.473 2.188 513 HA SER 77 HA SER 77 -1.995 -24.664 1.416 514 HB2 SER 77 1HB SER 77 -2.058 -22.176 1.427 515 HB3 SER 77 2HB SER 77 -2.474 -22.220 3.140 516 HG SER 77 HG SER 77 -0.288 -23.731 2.606 517 H GLY 78 H GLY 78 -3.777 -26.269 2.768 518 HA2 GLY 78 1HA GLY 78 -2.245 -27.112 4.980 519 HA3 GLY 78 2HA GLY 78 -3.641 -26.217 5.562 520 HA PRO 79 HA PRO 79 -5.792 -30.065 5.473 521 HB2 PRO 79 1HB PRO 79 -8.306 -29.090 5.785 522 HB3 PRO 79 2HB PRO 79 -7.136 -29.169 7.107 523 HG2 PRO 79 1HG PRO 79 -7.896 -26.839 5.388 524 HG3 PRO 79 2HG PRO 79 -7.631 -26.897 7.141 525 HD2 PRO 79 1HD PRO 79 -5.764 -25.967 5.415 526 HD3 PRO 79 2HD PRO 79 -5.339 -26.800 6.924 527 H SER 80 H SER 80 -5.293 -30.483 3.223 528 HA SER 80 HA SER 80 -6.421 -29.467 0.973 529 HB2 SER 80 1HB SER 80 -6.206 -31.751 -0.026 530 HB3 SER 80 2HB SER 80 -4.766 -31.227 0.848 531 HG SER 80 HG SER 80 -5.019 -32.846 2.153 532 H SER 81 H SER 81 -8.445 -29.062 0.416 533 HA SER 81 HA SER 81 -10.618 -30.586 1.628 534 HB2 SER 81 1HB SER 81 -10.496 -27.990 1.414 535 HB3 SER 81 2HB SER 81 -11.016 -28.272 -0.247 536 HG SER 81 HG SER 81 -12.637 -29.713 1.102 537 H GLY 82 H GLY 82 -11.907 -31.974 0.553 538 HA2 GLY 82 1HA GLY 82 -11.269 -32.441 -2.286 539 HA3 GLY 82 2HA GLY 82 -11.913 -33.647 -1.182 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -11.363 44.246 -22.293 2 HA2 GLY 1 1HA GLY 1 -9.436 44.903 -20.370 3 HA3 GLY 1 2HA GLY 1 -10.591 43.813 -19.618 4 H SER 2 H SER 2 -7.663 43.751 -20.776 5 HA SER 2 HA SER 2 -7.979 41.084 -21.984 6 HB2 SER 2 1HB SER 2 -6.255 41.518 -23.568 7 HB3 SER 2 2HB SER 2 -7.331 42.914 -23.633 8 HG SER 2 HG SER 2 -5.636 43.587 -21.841 9 H SER 3 H SER 3 -7.132 39.602 -20.696 10 HA SER 3 HA SER 3 -4.468 39.805 -19.693 11 HB2 SER 3 1HB SER 3 -5.766 41.197 -18.038 12 HB3 SER 3 2HB SER 3 -6.655 39.737 -17.604 13 HG SER 3 HG SER 3 -3.875 40.222 -17.330 14 H GLY 4 H GLY 4 -3.834 37.852 -18.459 15 HA2 GLY 4 1HA GLY 4 -5.645 35.593 -18.536 16 HA3 GLY 4 2HA GLY 4 -4.327 35.507 -19.694 17 H SER 5 H SER 5 -5.073 35.787 -16.252 18 HA SER 5 HA SER 5 -2.357 34.918 -15.589 19 HB2 SER 5 1HB SER 5 -3.159 36.829 -14.329 20 HB3 SER 5 2HB SER 5 -4.608 35.948 -13.846 21 HG SER 5 HG SER 5 -2.441 36.072 -12.491 22 H SER 6 H SER 6 -2.411 32.747 -16.121 23 HA SER 6 HA SER 6 -4.068 31.084 -14.351 24 HB2 SER 6 1HB SER 6 -4.915 31.180 -16.763 25 HB3 SER 6 2HB SER 6 -3.452 30.296 -17.198 26 HG SER 6 HG SER 6 -5.698 29.285 -16.333 27 H GLY 7 H GLY 7 -3.189 28.966 -13.909 28 HA2 GLY 7 1HA GLY 7 -0.248 28.925 -14.181 29 HA3 GLY 7 2HA GLY 7 -1.118 28.275 -12.800 30 H GLN 8 H GLN 8 0.641 26.620 -13.855 31 HA GLN 8 HA GLN 8 -0.798 24.883 -15.732 32 HB2 GLN 8 1HB GLN 8 1.495 25.533 -16.356 33 HB3 GLN 8 2HB GLN 8 2.099 24.812 -14.870 34 HG2 GLN 8 1HG GLN 8 1.712 22.654 -15.604 35 HG3 GLN 8 2HG GLN 8 0.536 23.169 -16.812 36 HE21 GLN 8 1HE2 GLN 8 2.433 21.444 -17.579 37 HE22 GLN 8 2HE2 GLN 8 3.601 22.218 -18.589 38 H HIS 9 H HIS 9 0.814 24.886 -12.589 39 HA HIS 9 HA HIS 9 0.529 23.566 -10.752 40 HB2 HIS 9 1HB HIS 9 -1.698 22.166 -12.234 41 HB3 HIS 9 2HB HIS 9 -1.463 22.273 -10.492 42 HD1 HIS 9 1HD HIS 9 -1.916 24.657 -9.405 43 HD2 HIS 9 2HD HIS 9 -3.146 24.215 -13.349 44 HE1 HIS 9 1HE HIS 9 -3.490 26.570 -9.836 45 H GLN 10 H GLN 10 2.497 22.888 -12.521 46 HA GLN 10 HA GLN 10 2.363 19.954 -12.685 47 HB2 GLN 10 1HB GLN 10 4.163 20.107 -14.339 48 HB3 GLN 10 2HB GLN 10 2.767 21.058 -14.828 49 HG2 GLN 10 1HG GLN 10 3.876 23.092 -14.072 50 HG3 GLN 10 2HG GLN 10 5.273 22.143 -13.565 51 HE21 GLN 10 1HE2 GLN 10 5.763 20.476 -15.553 52 HE22 GLN 10 2HE2 GLN 10 6.086 21.315 -17.029 53 H GLU 11 H GLU 11 3.633 18.759 -11.417 54 HA GLU 11 HA GLU 11 6.001 19.995 -10.202 55 HB2 GLU 11 1HB GLU 11 3.849 19.879 -8.706 56 HB3 GLU 11 2HB GLU 11 4.280 18.181 -8.556 57 HG2 GLU 11 1HG GLU 11 6.229 18.638 -7.408 58 HG3 GLU 11 2HG GLU 11 6.319 20.291 -8.012 59 H ALA 12 H ALA 12 7.623 18.505 -9.519 60 HA ALA 12 HA ALA 12 7.597 16.045 -11.092 61 HB1 ALA 12 1HB ALA 12 9.731 16.519 -11.456 62 HB2 ALA 12 2HB ALA 12 9.578 17.955 -10.443 63 HB3 ALA 12 3HB ALA 12 10.068 16.420 -9.727 64 H GLY 13 H GLY 13 7.026 14.194 -10.169 65 HA2 GLY 13 1HA GLY 13 7.324 13.932 -7.247 66 HA3 GLY 13 2HA GLY 13 6.156 13.054 -8.224 67 H ALA 14 H ALA 14 9.131 12.899 -6.696 68 HA ALA 14 HA ALA 14 10.444 11.034 -8.418 69 HB1 ALA 14 1HB ALA 14 10.923 12.106 -5.684 70 HB2 ALA 14 2HB ALA 14 11.753 10.627 -6.170 71 HB3 ALA 14 3HB ALA 14 11.974 12.109 -7.101 72 H GLY 15 H GLY 15 8.486 10.762 -5.476 73 HA2 GLY 15 1HA GLY 15 6.959 8.829 -5.396 74 HA3 GLY 15 2HA GLY 15 8.293 7.860 -6.004 75 H ASP 16 H ASP 16 8.399 10.330 -3.477 76 HA ASP 16 HA ASP 16 9.209 8.222 -1.584 77 HB2 ASP 16 1HB ASP 16 10.254 10.367 -0.412 78 HB3 ASP 16 2HB ASP 16 11.117 9.491 -1.673 79 H LEU 17 H LEU 17 6.495 8.950 -2.057 80 HA LEU 17 HA LEU 17 5.823 10.087 0.575 81 HB2 LEU 17 1HB LEU 17 4.093 10.435 -1.852 82 HB3 LEU 17 2HB LEU 17 4.003 11.283 -0.310 83 HG LEU 17 HG LEU 17 6.276 11.610 -2.262 84 HD11 LEU 17 1HD1 LEU 17 4.412 12.416 -3.437 85 HD12 LEU 17 2HD1 LEU 17 5.136 13.842 -2.695 86 HD13 LEU 17 3HD1 LEU 17 3.693 13.116 -1.987 87 HD21 LEU 17 1HD2 LEU 17 5.437 12.987 0.270 88 HD22 LEU 17 2HD2 LEU 17 6.477 13.777 -0.916 89 HD23 LEU 17 3HD2 LEU 17 7.000 12.281 -0.141 90 H CYS 18 H CYS 18 4.320 9.013 1.751 91 HA CYS 18 HA CYS 18 3.836 6.369 1.516 92 HB2 CYS 18 1HB CYS 18 3.161 7.423 3.521 93 HB3 CYS 18 2HB CYS 18 2.087 8.531 2.673 94 H ALA 19 H ALA 19 1.849 5.150 0.988 95 HA ALA 19 HA ALA 19 0.835 6.005 -1.617 96 HB1 ALA 19 1HB ALA 19 1.840 3.761 -1.392 97 HB2 ALA 19 2HB ALA 19 0.559 3.326 -0.261 98 HB3 ALA 19 3HB ALA 19 0.163 3.708 -1.936 99 H LEU 20 H LEU 20 -0.328 4.963 1.560 100 HA LEU 20 HA LEU 20 -3.056 4.919 1.062 101 HB2 LEU 20 1HB LEU 20 -1.350 5.300 3.443 102 HB3 LEU 20 2HB LEU 20 -3.024 5.830 3.591 103 HG LEU 20 HG LEU 20 -3.477 3.392 2.634 104 HD11 LEU 20 1HD1 LEU 20 -0.705 3.322 3.719 105 HD12 LEU 20 2HD1 LEU 20 -1.401 2.465 2.345 106 HD13 LEU 20 3HD1 LEU 20 -1.768 1.941 3.988 107 HD21 LEU 20 1HD2 LEU 20 -3.137 4.486 5.354 108 HD22 LEU 20 2HD2 LEU 20 -3.229 2.730 5.224 109 HD23 LEU 20 3HD2 LEU 20 -4.540 3.731 4.598 110 H CYS 21 H CYS 21 -1.292 7.619 2.594 111 HA CYS 21 HA CYS 21 -3.403 9.433 1.664 112 HB2 CYS 21 1HB CYS 21 -2.460 11.029 3.312 113 HB3 CYS 21 2HB CYS 21 -2.984 9.520 4.052 114 H GLY 22 H GLY 22 0.146 9.205 1.857 115 HA2 GLY 22 1HA GLY 22 1.668 9.805 0.186 116 HA3 GLY 22 2HA GLY 22 0.355 10.555 -0.709 117 H GLU 23 H GLU 23 1.665 11.052 2.568 118 HA GLU 23 HA GLU 23 1.592 13.929 2.115 119 HB2 GLU 23 1HB GLU 23 2.030 12.227 4.561 120 HB3 GLU 23 2HB GLU 23 2.295 13.965 4.577 121 HG2 GLU 23 1HG GLU 23 -0.308 12.803 3.664 122 HG3 GLU 23 2HG GLU 23 0.035 13.059 5.374 123 H HIS 24 H HIS 24 3.967 11.870 3.788 124 HA HIS 24 HA HIS 24 6.123 12.475 2.072 125 HB2 HIS 24 1HB HIS 24 5.604 14.706 3.342 126 HB3 HIS 24 2HB HIS 24 6.423 13.914 4.685 127 HD1 HIS 24 1HD HIS 24 7.037 15.525 1.399 128 HD2 HIS 24 2HD HIS 24 9.194 13.468 4.293 129 HE1 HIS 24 1HE HIS 24 9.457 15.925 0.845 130 H LEU 25 H LEU 25 7.588 10.923 2.351 131 HA LEU 25 HA LEU 25 7.501 9.369 4.837 132 HB2 LEU 25 1HB LEU 25 8.735 8.673 2.176 133 HB3 LEU 25 2HB LEU 25 8.614 7.608 3.574 134 HG LEU 25 HG LEU 25 6.161 8.723 2.254 135 HD11 LEU 25 1HD1 LEU 25 6.959 7.679 0.393 136 HD12 LEU 25 2HD1 LEU 25 6.211 6.301 1.200 137 HD13 LEU 25 3HD1 LEU 25 7.953 6.549 1.313 138 HD21 LEU 25 1HD2 LEU 25 5.873 7.716 4.439 139 HD22 LEU 25 2HD2 LEU 25 6.717 6.262 3.908 140 HD23 LEU 25 3HD2 LEU 25 5.158 6.685 3.200 141 H TYR 26 H TYR 26 9.359 8.880 6.000 142 HA TYR 26 HA TYR 26 11.729 10.495 5.320 143 HB2 TYR 26 1HB TYR 26 10.442 11.284 7.331 144 HB3 TYR 26 2HB TYR 26 10.824 9.751 8.107 145 HD1 TYR 26 1HD TYR 26 12.622 12.497 6.307 146 HD2 TYR 26 2HD TYR 26 12.616 9.744 9.551 147 HE1 TYR 26 1HE TYR 26 14.751 13.438 7.101 148 HE2 TYR 26 2HE TYR 26 14.745 10.677 10.355 149 HH TYR 26 HH TYR 26 16.792 12.269 8.710 150 H VAL 27 H VAL 27 13.720 9.640 6.588 151 HA VAL 27 HA VAL 27 14.382 7.121 5.600 152 HB VAL 27 HB VAL 27 15.667 8.514 7.952 153 HG11 VAL 27 1HG1 VAL 27 17.169 6.804 6.044 154 HG12 VAL 27 2HG1 VAL 27 17.438 7.091 7.765 155 HG13 VAL 27 3HG1 VAL 27 16.148 6.007 7.241 156 HG21 VAL 27 1HG2 VAL 27 16.465 8.705 5.056 157 HG22 VAL 27 2HG2 VAL 27 15.439 9.895 5.857 158 HG23 VAL 27 3HG2 VAL 27 17.091 9.635 6.416 159 H LEU 28 H LEU 28 13.339 8.083 8.849 160 HA LEU 28 HA LEU 28 13.141 5.243 9.580 161 HB2 LEU 28 1HB LEU 28 13.307 7.749 11.234 162 HB3 LEU 28 2HB LEU 28 12.872 6.184 11.919 163 HG LEU 28 HG LEU 28 15.464 6.645 10.463 164 HD11 LEU 28 1HD1 LEU 28 14.832 8.006 12.714 165 HD12 LEU 28 2HD1 LEU 28 16.465 7.498 12.283 166 HD13 LEU 28 3HD1 LEU 28 15.505 6.525 13.398 167 HD21 LEU 28 1HD2 LEU 28 14.171 4.357 11.424 168 HD22 LEU 28 2HD2 LEU 28 15.459 4.699 12.580 169 HD23 LEU 28 3HD2 LEU 28 15.840 4.494 10.870 170 H GLU 29 H GLU 29 11.229 6.984 7.977 171 HA GLU 29 HA GLU 29 8.834 6.259 9.513 172 HB2 GLU 29 1HB GLU 29 9.086 8.825 7.939 173 HB3 GLU 29 2HB GLU 29 7.724 8.316 8.927 174 HG2 GLU 29 1HG GLU 29 9.190 8.421 10.919 175 HG3 GLU 29 2HG GLU 29 10.474 9.060 9.894 176 H ARG 30 H ARG 30 10.545 5.578 6.916 177 HA ARG 30 HA ARG 30 8.227 5.329 5.117 178 HB2 ARG 30 1HB ARG 30 9.678 5.392 3.273 179 HB3 ARG 30 2HB ARG 30 10.318 6.611 4.367 180 HG2 ARG 30 1HG ARG 30 12.044 5.089 5.109 181 HG3 ARG 30 2HG ARG 30 11.372 3.803 4.105 182 HD2 ARG 30 1HD ARG 30 11.777 5.242 2.112 183 HD3 ARG 30 2HD ARG 30 12.594 6.394 3.167 184 HE ARG 30 HE ARG 30 13.954 4.161 3.685 185 HH11 ARG 30 2HH1 ARG 30 12.952 5.572 0.664 186 HH12 ARG 30 1HH1 ARG 30 14.298 4.941 -0.226 187 HH21 ARG 30 2HH2 ARG 30 15.730 3.325 2.524 188 HH22 ARG 30 1HH2 ARG 30 15.877 3.662 0.832 189 H LEU 31 H LEU 31 7.473 3.364 4.643 190 HA LEU 31 HA LEU 31 9.023 1.040 5.563 191 HB2 LEU 31 1HB LEU 31 6.124 1.665 5.449 192 HB3 LEU 31 2HB LEU 31 6.608 -0.011 5.203 193 HG LEU 31 HG LEU 31 7.705 -0.009 7.397 194 HD11 LEU 31 1HD1 LEU 31 6.524 2.320 8.531 195 HD12 LEU 31 2HD1 LEU 31 7.484 2.796 7.130 196 HD13 LEU 31 3HD1 LEU 31 8.228 1.875 8.437 197 HD21 LEU 31 1HD2 LEU 31 4.809 0.789 7.264 198 HD22 LEU 31 2HD2 LEU 31 5.590 0.289 8.765 199 HD23 LEU 31 3HD2 LEU 31 5.496 -0.830 7.404 200 H CYS 32 H CYS 32 10.216 0.436 3.828 201 HA CYS 32 HA CYS 32 9.304 0.528 1.147 202 HB2 CYS 32 1HB CYS 32 11.732 0.413 2.109 203 HB3 CYS 32 2HB CYS 32 11.482 -1.328 2.048 204 HG CYS 32 HG CYS 32 11.362 0.809 -0.623 205 H VAL 33 H VAL 33 7.684 -0.667 0.401 206 HA VAL 33 HA VAL 33 7.639 -3.532 1.078 207 HB VAL 33 HB VAL 33 5.199 -1.772 0.799 208 HG11 VAL 33 1HG1 VAL 33 4.073 -3.871 1.698 209 HG12 VAL 33 2HG1 VAL 33 4.611 -3.910 0.018 210 HG13 VAL 33 3HG1 VAL 33 5.558 -4.718 1.268 211 HG21 VAL 33 1HG2 VAL 33 5.148 -1.501 3.021 212 HG22 VAL 33 2HG2 VAL 33 5.631 -3.169 3.329 213 HG23 VAL 33 3HG2 VAL 33 6.854 -1.948 2.976 214 H ASN 34 H ASN 34 8.251 -4.485 -0.765 215 HA ASN 34 HA ASN 34 8.349 -5.085 -2.958 216 HB2 ASN 34 1HB ASN 34 5.477 -4.133 -2.879 217 HB3 ASN 34 2HB ASN 34 6.184 -5.087 -4.180 218 HD21 ASN 34 1HD2 ASN 34 4.416 -6.549 -3.618 219 HD22 ASN 34 2HD2 ASN 34 4.662 -7.698 -2.351 220 H GLY 35 H GLY 35 9.279 -2.463 -2.333 221 HA2 GLY 35 1HA GLY 35 10.284 -0.937 -3.846 222 HA3 GLY 35 2HA GLY 35 8.990 -1.260 -4.990 223 H HIS 36 H HIS 36 6.809 -0.895 -3.208 224 HA HIS 36 HA HIS 36 6.612 1.960 -3.313 225 HB2 HIS 36 1HB HIS 36 4.653 0.128 -1.941 226 HB3 HIS 36 2HB HIS 36 4.342 1.681 -2.711 227 HD1 HIS 36 1HD HIS 36 5.289 1.414 -5.474 228 HD2 HIS 36 2HD HIS 36 3.540 -1.782 -3.477 229 HE1 HIS 36 1HE HIS 36 4.462 -0.134 -7.276 230 H PHE 37 H PHE 37 5.504 3.033 -1.289 231 HA PHE 37 HA PHE 37 6.878 2.196 1.164 232 HB2 PHE 37 1HB PHE 37 6.957 4.951 -0.072 233 HB3 PHE 37 2HB PHE 37 7.390 4.634 1.605 234 HD1 PHE 37 2HD PHE 37 9.405 3.383 2.154 235 HD2 PHE 37 1HD PHE 37 8.393 4.294 -1.878 236 HE1 PHE 37 2HE PHE 37 11.700 2.834 1.457 237 HE2 PHE 37 1HE PHE 37 10.686 3.746 -2.582 238 HZ PHE 37 HZ PHE 37 12.343 3.015 -0.913 239 H PHE 38 H PHE 38 5.917 2.954 3.111 240 HA PHE 38 HA PHE 38 3.348 4.310 2.913 241 HB2 PHE 38 1HB PHE 38 3.620 1.595 4.220 242 HB3 PHE 38 2HB PHE 38 2.166 2.587 4.186 243 HD1 PHE 38 1HD PHE 38 4.560 0.780 2.004 244 HD2 PHE 38 2HD PHE 38 0.652 2.414 2.425 245 HE1 PHE 38 1HE PHE 38 3.889 -0.288 -0.109 246 HE2 PHE 38 2HE PHE 38 -0.025 1.348 0.313 247 HZ PHE 38 HZ PHE 38 1.594 -0.005 -0.956 248 H HIS 39 H HIS 39 2.509 4.978 5.014 249 HA HIS 39 HA HIS 39 4.637 5.861 6.735 250 HB2 HIS 39 1HB HIS 39 1.655 6.280 6.719 251 HB3 HIS 39 2HB HIS 39 2.661 6.856 8.044 252 HD2 HIS 39 2HD HIS 39 5.060 8.305 6.542 253 HE1 HIS 39 1HE HIS 39 2.087 10.276 4.247 254 HE2 HIS 39 2HE HIS 39 4.516 10.238 4.912 255 H ARG 40 H ARG 40 5.079 5.237 8.809 256 HA ARG 40 HA ARG 40 4.714 2.621 9.583 257 HB2 ARG 40 1HB ARG 40 5.381 5.119 11.094 258 HB3 ARG 40 2HB ARG 40 5.123 3.618 11.973 259 HG2 ARG 40 1HG ARG 40 6.867 2.565 10.527 260 HG3 ARG 40 2HG ARG 40 7.199 4.169 9.869 261 HD2 ARG 40 1HD ARG 40 7.937 4.981 11.958 262 HD3 ARG 40 2HD ARG 40 7.271 3.593 12.817 263 HE ARG 40 HE ARG 40 9.330 2.958 10.895 264 HH11 ARG 40 2HH1 ARG 40 8.598 3.784 14.196 265 HH12 ARG 40 1HH1 ARG 40 10.061 3.103 14.828 266 HH21 ARG 40 2HH2 ARG 40 11.259 2.057 11.715 267 HH22 ARG 40 1HH2 ARG 40 11.574 2.122 13.416 268 H SER 41 H SER 41 2.567 5.322 9.974 269 HA SER 41 HA SER 41 0.874 3.942 11.882 270 HB2 SER 41 1HB SER 41 1.090 6.334 12.148 271 HB3 SER 41 2HB SER 41 0.588 6.609 10.480 272 HG SER 41 HG SER 41 -1.244 6.899 11.588 273 H CYS 42 H CYS 42 0.442 5.281 8.603 274 HA CYS 42 HA CYS 42 -2.060 4.340 8.025 275 HB2 CYS 42 1HB CYS 42 0.368 4.727 6.297 276 HB3 CYS 42 2HB CYS 42 -1.136 4.125 5.609 277 H PHE 43 H PHE 43 0.994 2.605 7.426 278 HA PHE 43 HA PHE 43 0.012 0.275 6.359 279 HB2 PHE 43 1HB PHE 43 2.457 1.012 6.860 280 HB3 PHE 43 2HB PHE 43 2.220 0.177 8.391 281 HD1 PHE 43 2HD PHE 43 1.255 -0.590 4.868 282 HD2 PHE 43 1HD PHE 43 3.302 -1.842 8.385 283 HE1 PHE 43 2HE PHE 43 1.807 -2.728 3.782 284 HE2 PHE 43 1HE PHE 43 3.858 -3.981 7.303 285 HZ PHE 43 HZ PHE 43 3.110 -4.427 5.000 286 H ARG 44 H ARG 44 -1.884 -0.491 7.196 287 HA ARG 44 HA ARG 44 -1.697 -1.710 9.860 288 HB2 ARG 44 1HB ARG 44 -4.007 -0.068 8.813 289 HB3 ARG 44 2HB ARG 44 -4.098 -1.090 10.241 290 HG2 ARG 44 1HG ARG 44 -2.439 0.243 11.362 291 HG3 ARG 44 2HG ARG 44 -2.183 1.207 9.907 292 HD2 ARG 44 1HD ARG 44 -4.704 1.726 10.080 293 HD3 ARG 44 2HD ARG 44 -4.553 1.147 11.739 294 HE ARG 44 HE ARG 44 -2.649 3.180 10.956 295 HH11 ARG 44 2HH1 ARG 44 -5.731 2.473 12.412 296 HH12 ARG 44 1HH1 ARG 44 -5.811 3.971 13.280 297 HH21 ARG 44 2HH2 ARG 44 -2.743 5.155 12.093 298 HH22 ARG 44 1HH2 ARG 44 -4.111 5.496 13.096 299 H CYS 45 H CYS 45 -3.463 -3.353 10.201 300 HA CYS 45 HA CYS 45 -3.376 -5.297 8.197 301 HB2 CYS 45 1HB CYS 45 -3.824 -5.711 10.626 302 HB3 CYS 45 2HB CYS 45 -5.448 -5.075 10.388 303 H HIS 46 H HIS 46 -5.251 -6.278 7.079 304 HA HIS 46 HA HIS 46 -6.904 -4.169 5.894 305 HB2 HIS 46 1HB HIS 46 -5.623 -5.439 4.291 306 HB3 HIS 46 2HB HIS 46 -6.224 -6.959 4.947 307 HD1 HIS 46 1HD HIS 46 -7.043 -4.272 2.557 308 HD2 HIS 46 2HD HIS 46 -8.959 -7.517 4.306 309 HE1 HIS 46 1HE HIS 46 -9.122 -4.642 1.191 310 H THR 47 H THR 47 -7.174 -6.263 8.353 311 HA THR 47 HA THR 47 -10.056 -6.676 7.889 312 HB THR 47 HB THR 47 -8.070 -8.507 9.225 313 HG1 THR 47 1HG THR 47 -8.341 -9.526 7.400 314 HG21 THR 47 1HG2 THR 47 -11.084 -8.674 9.361 315 HG22 THR 47 2HG2 THR 47 -10.016 -8.276 10.707 316 HG23 THR 47 3HG2 THR 47 -9.949 -9.877 9.971 317 H CYS 48 H CYS 48 -7.528 -6.162 10.319 318 HA CYS 48 HA CYS 48 -9.585 -5.113 12.147 319 HB2 CYS 48 1HB CYS 48 -7.971 -5.536 13.961 320 HB3 CYS 48 2HB CYS 48 -8.352 -7.007 13.072 321 H GLU 49 H GLU 49 -7.232 -4.155 10.021 322 HA GLU 49 HA GLU 49 -6.037 -2.243 9.679 323 HB2 GLU 49 1HB GLU 49 -8.320 -1.107 11.302 324 HB3 GLU 49 2HB GLU 49 -7.189 -0.150 10.357 325 HG2 GLU 49 1HG GLU 49 -8.032 -0.916 8.335 326 HG3 GLU 49 2HG GLU 49 -8.794 -2.322 9.075 327 H ALA 50 H ALA 50 -4.806 -3.654 11.564 328 HA ALA 50 HA ALA 50 -4.260 -1.825 13.797 329 HB1 ALA 50 1HB ALA 50 -2.917 -3.946 14.570 330 HB2 ALA 50 2HB ALA 50 -4.666 -3.854 14.779 331 HB3 ALA 50 3HB ALA 50 -3.986 -4.767 13.432 332 H THR 51 H THR 51 -2.348 -0.819 14.006 333 HA THR 51 HA THR 51 -0.633 -0.323 11.962 334 HB THR 51 HB THR 51 0.193 -0.498 14.866 335 HG1 THR 51 1HG THR 51 -1.669 0.970 13.896 336 HG21 THR 51 1HG2 THR 51 2.203 0.163 14.169 337 HG22 THR 51 2HG2 THR 51 1.468 1.619 13.498 338 HG23 THR 51 3HG2 THR 51 1.646 0.179 12.496 339 H LEU 52 H LEU 52 0.174 -1.901 10.691 340 HA LEU 52 HA LEU 52 1.146 -4.388 11.676 341 HB2 LEU 52 1HB LEU 52 1.608 -3.064 9.007 342 HB3 LEU 52 2HB LEU 52 1.926 -4.755 9.389 343 HG LEU 52 HG LEU 52 -0.806 -3.476 9.419 344 HD11 LEU 52 1HD1 LEU 52 -0.137 -3.472 7.165 345 HD12 LEU 52 2HD1 LEU 52 -1.112 -4.928 7.362 346 HD13 LEU 52 3HD1 LEU 52 0.646 -5.046 7.309 347 HD21 LEU 52 1HD2 LEU 52 -1.679 -5.565 9.868 348 HD22 LEU 52 2HD2 LEU 52 -0.215 -5.565 10.852 349 HD23 LEU 52 3HD2 LEU 52 -0.236 -6.407 9.302 350 H TRP 53 H TRP 53 2.766 -4.100 13.162 351 HA TRP 53 HA TRP 53 4.924 -2.326 12.921 352 HB2 TRP 53 1HB TRP 53 5.016 -4.969 14.377 353 HB3 TRP 53 2HB TRP 53 5.920 -3.502 14.743 354 HD1 TRP 53 HD TRP 53 2.616 -5.207 15.396 355 HE1 TRP 53 1HE TRP 53 1.237 -3.791 17.044 356 HE3 TRP 53 3HE TRP 53 5.486 -0.976 15.431 357 HZ2 TRP 53 2HZ TRP 53 1.350 -1.220 18.205 358 HZ3 TRP 53 3HZ TRP 53 4.780 0.916 16.837 359 HH2 TRP 53 HH TRP 53 2.754 0.795 18.194 360 HA PRO 54 HA PRO 54 7.659 -4.181 10.032 361 HB2 PRO 54 1HB PRO 54 10.074 -3.527 11.088 362 HB3 PRO 54 2HB PRO 54 9.013 -2.345 10.312 363 HG2 PRO 54 1HG PRO 54 9.404 -2.915 13.225 364 HG3 PRO 54 2HG PRO 54 9.270 -1.352 12.399 365 HD2 PRO 54 1HD PRO 54 7.200 -2.478 13.732 366 HD3 PRO 54 2HD PRO 54 6.970 -1.463 12.293 367 H GLY 55 H GLY 55 6.897 -5.671 12.704 368 HA2 GLY 55 1HA GLY 55 8.673 -7.914 12.178 369 HA3 GLY 55 2HA GLY 55 8.777 -7.225 13.792 370 H GLY 56 H GLY 56 5.786 -7.362 11.975 371 HA2 GLY 56 1HA GLY 56 4.868 -9.802 13.165 372 HA3 GLY 56 2HA GLY 56 4.216 -8.386 13.976 373 H TYR 57 H TYR 57 4.853 -9.104 10.547 374 HA TYR 57 HA TYR 57 2.039 -9.211 9.940 375 HB2 TYR 57 1HB TYR 57 1.773 -7.226 8.788 376 HB3 TYR 57 2HB TYR 57 2.828 -6.709 10.098 377 HD1 TYR 57 2HD TYR 57 5.257 -6.369 9.659 378 HD2 TYR 57 1HD TYR 57 2.492 -7.150 6.521 379 HE1 TYR 57 2HE TYR 57 6.891 -5.535 8.021 380 HE2 TYR 57 1HE TYR 57 4.118 -6.319 4.873 381 HH TYR 57 HH TYR 57 6.501 -5.975 4.651 382 H GLU 58 H GLU 58 1.654 -9.592 7.612 383 HA GLU 58 HA GLU 58 3.900 -10.295 5.955 384 HB2 GLU 58 1HB GLU 58 2.254 -12.383 7.327 385 HB3 GLU 58 2HB GLU 58 2.859 -12.695 5.705 386 HG2 GLU 58 1HG GLU 58 4.468 -12.123 8.178 387 HG3 GLU 58 2HG GLU 58 4.394 -13.628 7.264 388 H GLN 59 H GLN 59 3.222 -11.046 3.808 389 HA GLN 59 HA GLN 59 0.563 -9.985 3.127 390 HB2 GLN 59 1HB GLN 59 2.191 -8.682 2.022 391 HB3 GLN 59 2HB GLN 59 3.148 -10.093 1.590 392 HG2 GLN 59 1HG GLN 59 0.389 -9.912 0.519 393 HG3 GLN 59 2HG GLN 59 1.613 -8.838 -0.157 394 HE21 GLN 59 1HE2 GLN 59 1.326 -9.964 -2.146 395 HE22 GLN 59 2HE2 GLN 59 2.095 -11.489 -2.407 396 H HIS 60 H HIS 60 -0.873 -11.203 2.010 397 HA HIS 60 HA HIS 60 -0.241 -14.033 1.721 398 HB2 HIS 60 1HB HIS 60 -2.376 -13.085 2.821 399 HB3 HIS 60 2HB HIS 60 -2.922 -12.779 1.175 400 HD1 HIS 60 1HD HIS 60 -3.677 -14.783 -0.209 401 HD2 HIS 60 2HD HIS 60 -2.189 -15.822 3.528 402 HE1 HIS 60 1HE HIS 60 -4.273 -17.207 0.101 403 HA PRO 61 HA PRO 61 0.475 -13.545 -2.631 404 HB2 PRO 61 1HB PRO 61 0.655 -16.191 -3.212 405 HB3 PRO 61 2HB PRO 61 1.953 -15.291 -2.419 406 HG2 PRO 61 1HG PRO 61 -0.125 -17.076 -1.213 407 HG3 PRO 61 2HG PRO 61 1.607 -16.971 -0.849 408 HD2 PRO 61 1HD PRO 61 -0.280 -15.805 0.703 409 HD3 PRO 61 2HD PRO 61 1.342 -15.115 0.492 410 H GLY 62 H GLY 62 -2.026 -15.631 -1.281 411 HA2 GLY 62 1HA GLY 62 -3.406 -16.344 -3.577 412 HA3 GLY 62 2HA GLY 62 -4.153 -16.101 -2.005 413 H ASP 63 H ASP 63 -4.161 -13.554 -1.484 414 HA ASP 63 HA ASP 63 -5.809 -12.424 -3.597 415 HB2 ASP 63 1HB ASP 63 -5.236 -11.242 -0.877 416 HB3 ASP 63 2HB ASP 63 -6.567 -10.846 -1.961 417 H GLY 64 H GLY 64 -3.115 -11.281 -1.548 418 HA2 GLY 64 1HA GLY 64 -1.162 -10.339 -2.726 419 HA3 GLY 64 2HA GLY 64 -2.305 -9.551 -3.804 420 H HIS 65 H HIS 65 -2.962 -9.727 -0.400 421 HA HIS 65 HA HIS 65 -2.318 -6.860 -0.166 422 HB2 HIS 65 1HB HIS 65 -4.611 -8.416 1.040 423 HB3 HIS 65 2HB HIS 65 -4.187 -6.775 1.519 424 HD1 HIS 65 1HD HIS 65 -4.534 -4.898 -0.305 425 HD2 HIS 65 2HD HIS 65 -6.077 -8.629 -1.284 426 HE1 HIS 65 1HE HIS 65 -6.096 -4.494 -2.234 427 H PHE 66 H PHE 66 -2.296 -6.262 2.316 428 HA PHE 66 HA PHE 66 -0.459 -8.174 3.592 429 HB2 PHE 66 1HB PHE 66 -0.661 -5.171 3.742 430 HB3 PHE 66 2HB PHE 66 0.256 -6.103 4.921 431 HD1 PHE 66 2HD PHE 66 0.052 -5.078 1.403 432 HD2 PHE 66 1HD PHE 66 2.358 -7.088 4.362 433 HE1 PHE 66 2HE PHE 66 1.991 -5.073 -0.111 434 HE2 PHE 66 1HE PHE 66 4.302 -7.085 2.853 435 HZ PHE 66 HZ PHE 66 4.120 -6.078 0.613 436 H TYR 67 H TYR 67 -1.092 -9.153 5.392 437 HA TYR 67 HA TYR 67 -3.194 -7.895 7.024 438 HB2 TYR 67 1HB TYR 67 -3.005 -10.862 6.483 439 HB3 TYR 67 2HB TYR 67 -4.280 -10.017 7.353 440 HD1 TYR 67 2HD TYR 67 -2.830 -10.663 4.031 441 HD2 TYR 67 1HD TYR 67 -6.050 -8.900 6.182 442 HE1 TYR 67 2HE TYR 67 -4.093 -10.426 1.934 443 HE2 TYR 67 1HE TYR 67 -7.323 -8.659 4.091 444 HH TYR 67 HH TYR 67 -6.113 -9.966 1.043 445 H CYS 68 H CYS 68 -3.293 -8.791 9.254 446 HA CYS 68 HA CYS 68 -0.675 -8.804 10.404 447 HB2 CYS 68 1HB CYS 68 -1.817 -8.908 12.543 448 HB3 CYS 68 2HB CYS 68 -2.629 -7.742 11.502 449 H LEU 69 H LEU 69 -0.180 -10.477 12.173 450 HA LEU 69 HA LEU 69 -0.110 -13.058 10.903 451 HB2 LEU 69 1HB LEU 69 0.842 -12.361 13.670 452 HB3 LEU 69 2HB LEU 69 1.356 -13.711 12.661 453 HG LEU 69 HG LEU 69 2.005 -10.792 12.282 454 HD11 LEU 69 1HD1 LEU 69 3.346 -11.882 13.969 455 HD12 LEU 69 2HD1 LEU 69 4.319 -11.600 12.526 456 HD13 LEU 69 3HD1 LEU 69 3.700 -13.215 12.869 457 HD21 LEU 69 1HD2 LEU 69 1.496 -12.119 10.156 458 HD22 LEU 69 2HD2 LEU 69 2.959 -13.031 10.525 459 HD23 LEU 69 3HD2 LEU 69 3.050 -11.291 10.250 460 H GLN 70 H GLN 70 -2.632 -11.771 12.145 461 HA GLN 70 HA GLN 70 -3.462 -14.183 13.616 462 HB2 GLN 70 1HB GLN 70 -3.242 -12.374 15.213 463 HB3 GLN 70 2HB GLN 70 -4.217 -11.316 14.201 464 HG2 GLN 70 1HG GLN 70 -6.183 -12.384 14.740 465 HG3 GLN 70 2HG GLN 70 -5.368 -13.882 15.189 466 HE21 GLN 70 1HE2 GLN 70 -6.693 -13.788 17.100 467 HE22 GLN 70 2HE2 GLN 70 -6.201 -12.810 18.436 468 H HIS 71 H HIS 71 -3.963 -12.123 11.005 469 HA HIS 71 HA HIS 71 -6.646 -13.258 10.564 470 HB2 HIS 71 1HB HIS 71 -5.620 -10.480 10.090 471 HB3 HIS 71 2HB HIS 71 -6.921 -11.116 9.087 472 HD2 HIS 71 2HD HIS 71 -7.864 -12.626 12.241 473 HE1 HIS 71 1HE HIS 71 -9.317 -8.658 12.614 474 HE2 HIS 71 2HE HIS 71 -9.346 -10.983 13.580 475 H LEU 72 H LEU 72 -3.472 -12.762 9.390 476 HA LEU 72 HA LEU 72 -3.738 -12.886 6.647 477 HB2 LEU 72 1HB LEU 72 -1.618 -12.596 7.913 478 HB3 LEU 72 2HB LEU 72 -1.648 -14.320 8.278 479 HG LEU 72 HG LEU 72 -1.763 -14.448 5.606 480 HD11 LEU 72 1HD1 LEU 72 -0.192 -11.940 6.181 481 HD12 LEU 72 2HD1 LEU 72 -1.725 -12.025 5.314 482 HD13 LEU 72 3HD1 LEU 72 -0.283 -12.777 4.631 483 HD21 LEU 72 1HD2 LEU 72 0.563 -14.976 5.642 484 HD22 LEU 72 2HD2 LEU 72 -0.126 -15.493 7.182 485 HD23 LEU 72 3HD2 LEU 72 0.819 -14.006 7.093 486 HA PRO 73 HA PRO 73 -5.781 -16.838 6.221 487 HB2 PRO 73 1HB PRO 73 -6.033 -16.703 3.521 488 HB3 PRO 73 2HB PRO 73 -7.092 -15.823 4.629 489 HG2 PRO 73 1HG PRO 73 -4.710 -14.841 3.105 490 HG3 PRO 73 2HG PRO 73 -6.280 -14.055 3.355 491 HD2 PRO 73 1HD PRO 73 -4.076 -13.398 4.786 492 HD3 PRO 73 2HD PRO 73 -5.715 -13.317 5.465 493 H GLN 74 H GLN 74 -5.454 -18.553 4.239 494 HA GLN 74 HA GLN 74 -2.632 -18.882 3.621 495 HB2 GLN 74 1HB GLN 74 -4.117 -20.528 5.595 496 HB3 GLN 74 2HB GLN 74 -3.064 -21.388 4.479 497 HG2 GLN 74 1HG GLN 74 -2.049 -19.027 6.002 498 HG3 GLN 74 2HG GLN 74 -2.139 -20.616 6.760 499 HE21 GLN 74 1HE2 GLN 74 0.173 -18.941 6.055 500 HE22 GLN 74 2HE2 GLN 74 1.171 -19.927 5.047 501 H THR 75 H THR 75 -2.658 -19.235 1.508 502 HA THR 75 HA THR 75 -3.452 -19.815 -0.575 503 HB THR 75 HB THR 75 -3.652 -22.263 -0.867 504 HG1 THR 75 1HG THR 75 -4.453 -22.243 1.604 505 HG21 THR 75 1HG2 THR 75 -1.415 -22.601 -0.654 506 HG22 THR 75 2HG2 THR 75 -1.377 -22.022 1.012 507 HG23 THR 75 3HG2 THR 75 -1.426 -20.870 -0.322 508 H ASP 76 H ASP 76 -5.503 -18.589 0.762 509 HA ASP 76 HA ASP 76 -7.873 -20.212 0.754 510 HB2 ASP 76 1HB ASP 76 -8.016 -18.474 2.294 511 HB3 ASP 76 2HB ASP 76 -7.291 -17.305 1.195 512 H SER 77 H SER 77 -8.051 -21.052 -1.327 513 HA SER 77 HA SER 77 -7.781 -19.824 -3.746 514 HB2 SER 77 1HB SER 77 -9.882 -21.844 -2.928 515 HB3 SER 77 2HB SER 77 -9.513 -21.415 -4.599 516 HG SER 77 HG SER 77 -8.145 -23.029 -2.857 517 H GLY 78 H GLY 78 -8.886 -18.399 -4.983 518 HA2 GLY 78 1HA GLY 78 -11.500 -17.461 -3.989 519 HA3 GLY 78 2HA GLY 78 -10.233 -16.311 -4.391 520 HA PRO 79 HA PRO 79 -12.773 -17.923 -8.179 521 HB2 PRO 79 1HB PRO 79 -15.013 -16.393 -8.081 522 HB3 PRO 79 2HB PRO 79 -14.916 -18.002 -7.356 523 HG2 PRO 79 1HG PRO 79 -14.656 -15.318 -6.055 524 HG3 PRO 79 2HG PRO 79 -15.532 -16.754 -5.493 525 HD2 PRO 79 1HD PRO 79 -13.093 -16.070 -4.538 526 HD3 PRO 79 2HD PRO 79 -13.622 -17.758 -4.683 527 H SER 80 H SER 80 -11.376 -16.911 -9.543 528 HA SER 80 HA SER 80 -11.596 -13.984 -9.794 529 HB2 SER 80 1HB SER 80 -9.335 -15.137 -9.219 530 HB3 SER 80 2HB SER 80 -9.316 -15.585 -10.925 531 HG SER 80 HG SER 80 -9.868 -13.119 -11.054 532 H SER 81 H SER 81 -12.753 -13.333 -11.470 533 HA SER 81 HA SER 81 -12.652 -14.915 -13.954 534 HB2 SER 81 1HB SER 81 -14.862 -14.866 -12.505 535 HB3 SER 81 2HB SER 81 -15.082 -13.302 -13.288 536 HG SER 81 HG SER 81 -15.752 -15.564 -14.287 537 H GLY 82 H GLY 82 -11.447 -13.767 -15.328 538 HA2 GLY 82 1HA GLY 82 -12.275 -11.033 -15.932 539 HA3 GLY 82 2HA GLY 82 -10.612 -11.254 -15.406 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -8.374 25.906 -37.531 2 HA2 GLY 1 1HA GLY 1 -7.519 26.303 -35.072 3 HA3 GLY 1 2HA GLY 1 -7.071 24.823 -35.907 4 H SER 2 H SER 2 -6.023 28.193 -35.476 5 HA SER 2 HA SER 2 -3.295 27.507 -36.162 6 HB2 SER 2 1HB SER 2 -4.775 30.027 -35.553 7 HB3 SER 2 2HB SER 2 -3.026 30.016 -35.331 8 HG SER 2 HG SER 2 -4.398 30.242 -37.596 9 H SER 3 H SER 3 -4.983 28.760 -33.287 10 HA SER 3 HA SER 3 -2.789 28.716 -31.554 11 HB2 SER 3 1HB SER 3 -5.076 29.794 -31.180 12 HB3 SER 3 2HB SER 3 -5.633 28.195 -30.687 13 HG SER 3 HG SER 3 -3.500 28.484 -29.319 14 H GLY 4 H GLY 4 -1.551 26.959 -31.295 15 HA2 GLY 4 1HA GLY 4 -2.551 24.291 -31.436 16 HA3 GLY 4 2HA GLY 4 -0.934 24.769 -30.941 17 H SER 5 H SER 5 -1.101 23.071 -29.348 18 HA SER 5 HA SER 5 -1.971 24.075 -26.815 19 HB2 SER 5 1HB SER 5 -4.130 23.261 -27.528 20 HB3 SER 5 2HB SER 5 -3.435 21.719 -28.027 21 HG SER 5 HG SER 5 -3.325 22.671 -25.362 22 H SER 6 H SER 6 -0.521 23.420 -25.380 23 HA SER 6 HA SER 6 1.042 21.000 -25.975 24 HB2 SER 6 1HB SER 6 2.293 23.157 -25.820 25 HB3 SER 6 2HB SER 6 1.779 23.291 -24.138 26 HG SER 6 HG SER 6 3.581 21.494 -25.318 27 H GLY 7 H GLY 7 0.136 19.317 -24.951 28 HA2 GLY 7 1HA GLY 7 -0.101 19.485 -22.038 29 HA3 GLY 7 2HA GLY 7 -1.532 19.007 -22.941 30 H GLN 8 H GLN 8 1.629 18.062 -21.852 31 HA GLN 8 HA GLN 8 1.094 15.325 -22.804 32 HB2 GLN 8 1HB GLN 8 3.077 16.463 -23.846 33 HB3 GLN 8 2HB GLN 8 3.810 16.523 -22.249 34 HG2 GLN 8 1HG GLN 8 3.951 14.161 -22.129 35 HG3 GLN 8 2HG GLN 8 2.939 13.964 -23.559 36 HE21 GLN 8 1HE2 GLN 8 4.930 12.584 -23.999 37 HE22 GLN 8 2HE2 GLN 8 6.203 13.348 -24.883 38 H HIS 9 H HIS 9 -0.026 14.746 -20.922 39 HA HIS 9 HA HIS 9 1.154 15.073 -18.325 40 HB2 HIS 9 1HB HIS 9 -1.125 13.230 -19.044 41 HB3 HIS 9 2HB HIS 9 -0.774 13.954 -17.478 42 HD1 HIS 9 1HD HIS 9 -3.522 14.279 -18.906 43 HD2 HIS 9 2HD HIS 9 -0.414 17.032 -19.064 44 HE1 HIS 9 1HE HIS 9 -4.603 16.482 -19.454 45 H GLN 10 H GLN 10 3.049 14.010 -18.073 46 HA GLN 10 HA GLN 10 3.109 11.141 -18.721 47 HB2 GLN 10 1HB GLN 10 5.258 13.230 -18.543 48 HB3 GLN 10 2HB GLN 10 5.655 11.524 -18.386 49 HG2 GLN 10 1HG GLN 10 4.161 12.657 -20.733 50 HG3 GLN 10 2HG GLN 10 5.916 12.502 -20.680 51 HE21 GLN 10 1HE2 GLN 10 5.777 11.107 -22.489 52 HE22 GLN 10 2HE2 GLN 10 5.308 9.456 -22.302 53 H GLU 11 H GLU 11 4.268 9.730 -17.221 54 HA GLU 11 HA GLU 11 3.302 9.548 -14.740 55 HB2 GLU 11 1HB GLU 11 4.756 7.839 -15.635 56 HB3 GLU 11 2HB GLU 11 6.138 8.924 -15.571 57 HG2 GLU 11 1HG GLU 11 6.204 8.862 -13.215 58 HG3 GLU 11 2HG GLU 11 4.620 8.094 -13.119 59 H ALA 12 H ALA 12 3.636 10.348 -12.707 60 HA ALA 12 HA ALA 12 4.312 12.955 -12.294 61 HB1 ALA 12 1HB ALA 12 3.362 12.234 -10.398 62 HB2 ALA 12 2HB ALA 12 4.011 10.603 -10.576 63 HB3 ALA 12 3HB ALA 12 5.014 11.882 -9.892 64 H GLY 13 H GLY 13 6.479 10.171 -11.755 65 HA2 GLY 13 1HA GLY 13 8.774 10.672 -12.790 66 HA3 GLY 13 2HA GLY 13 8.745 12.054 -11.705 67 H ALA 14 H ALA 14 8.460 11.536 -9.361 68 HA ALA 14 HA ALA 14 9.748 8.971 -8.689 69 HB1 ALA 14 1HB ALA 14 10.475 10.737 -6.676 70 HB2 ALA 14 2HB ALA 14 11.504 10.135 -7.976 71 HB3 ALA 14 3HB ALA 14 10.652 11.667 -8.164 72 H GLY 15 H GLY 15 7.591 8.166 -8.301 73 HA2 GLY 15 1HA GLY 15 5.772 9.309 -6.495 74 HA3 GLY 15 2HA GLY 15 5.836 7.608 -6.934 75 H ASP 16 H ASP 16 6.635 9.984 -4.570 76 HA ASP 16 HA ASP 16 7.602 7.842 -2.794 77 HB2 ASP 16 1HB ASP 16 8.520 10.702 -2.565 78 HB3 ASP 16 2HB ASP 16 9.226 9.264 -1.833 79 H LEU 17 H LEU 17 4.950 8.360 -2.895 80 HA LEU 17 HA LEU 17 4.473 9.833 -0.390 81 HB2 LEU 17 1HB LEU 17 2.457 9.618 -2.605 82 HB3 LEU 17 2HB LEU 17 2.432 10.685 -1.203 83 HG LEU 17 HG LEU 17 4.419 10.919 -3.458 84 HD11 LEU 17 1HD1 LEU 17 2.885 13.056 -3.799 85 HD12 LEU 17 2HD1 LEU 17 1.664 11.968 -3.140 86 HD13 LEU 17 3HD1 LEU 17 2.548 11.521 -4.599 87 HD21 LEU 17 1HD2 LEU 17 4.924 13.062 -2.513 88 HD22 LEU 17 2HD2 LEU 17 5.065 11.848 -1.241 89 HD23 LEU 17 3HD2 LEU 17 3.642 12.890 -1.314 90 H CYS 18 H CYS 18 3.252 8.836 1.127 91 HA CYS 18 HA CYS 18 3.051 6.220 1.500 92 HB2 CYS 18 1HB CYS 18 2.195 7.949 3.076 93 HB3 CYS 18 2HB CYS 18 0.736 8.072 2.099 94 H ALA 19 H ALA 19 2.209 4.497 0.534 95 HA ALA 19 HA ALA 19 0.446 4.849 -1.736 96 HB1 ALA 19 1HB ALA 19 1.835 3.213 -2.387 97 HB2 ALA 19 2HB ALA 19 2.220 2.742 -0.731 98 HB3 ALA 19 3HB ALA 19 0.739 2.159 -1.492 99 H LEU 20 H LEU 20 -0.375 5.161 1.208 100 HA LEU 20 HA LEU 20 -2.696 3.349 1.090 101 HB2 LEU 20 1HB LEU 20 -0.924 4.145 3.324 102 HB3 LEU 20 2HB LEU 20 -2.643 3.996 3.684 103 HG LEU 20 HG LEU 20 -1.102 1.769 2.383 104 HD11 LEU 20 1HD1 LEU 20 -0.467 0.883 4.423 105 HD12 LEU 20 2HD1 LEU 20 -1.605 1.881 5.329 106 HD13 LEU 20 3HD1 LEU 20 -0.151 2.605 4.641 107 HD21 LEU 20 1HD2 LEU 20 -3.159 0.930 4.140 108 HD22 LEU 20 2HD2 LEU 20 -3.085 0.777 2.384 109 HD23 LEU 20 3HD2 LEU 20 -3.815 2.208 3.116 110 H CYS 21 H CYS 21 -1.578 6.516 2.258 111 HA CYS 21 HA CYS 21 -4.349 7.483 2.153 112 HB2 CYS 21 1HB CYS 21 -3.527 9.392 3.489 113 HB3 CYS 21 2HB CYS 21 -3.224 7.850 4.282 114 H GLY 22 H GLY 22 -1.054 8.400 1.170 115 HA2 GLY 22 1HA GLY 22 -0.672 9.145 -1.106 116 HA3 GLY 22 2HA GLY 22 -2.261 9.896 -1.068 117 H GLU 23 H GLU 23 0.334 10.040 1.345 118 HA GLU 23 HA GLU 23 0.473 12.947 0.879 119 HB2 GLU 23 1HB GLU 23 0.607 11.428 3.485 120 HB3 GLU 23 2HB GLU 23 1.037 13.125 3.327 121 HG2 GLU 23 1HG GLU 23 -1.649 12.115 2.473 122 HG3 GLU 23 2HG GLU 23 -1.311 12.535 4.152 123 H HIS 24 H HIS 24 2.558 13.860 1.945 124 HA HIS 24 HA HIS 24 4.760 12.799 0.562 125 HB2 HIS 24 1HB HIS 24 4.301 15.190 1.595 126 HB3 HIS 24 2HB HIS 24 5.184 14.524 2.965 127 HD1 HIS 24 1HD HIS 24 5.638 15.885 -0.432 128 HD2 HIS 24 2HD HIS 24 7.909 13.853 2.392 129 HE1 HIS 24 1HE HIS 24 8.025 16.136 -1.182 130 H LEU 25 H LEU 25 6.609 11.714 1.273 131 HA LEU 25 HA LEU 25 6.256 10.233 3.794 132 HB2 LEU 25 1HB LEU 25 7.458 9.461 1.160 133 HB3 LEU 25 2HB LEU 25 7.890 8.605 2.639 134 HG LEU 25 HG LEU 25 5.058 8.863 1.642 135 HD11 LEU 25 1HD1 LEU 25 7.227 7.015 0.859 136 HD12 LEU 25 2HD1 LEU 25 5.817 7.563 -0.046 137 HD13 LEU 25 3HD1 LEU 25 5.646 6.300 1.173 138 HD21 LEU 25 1HD2 LEU 25 5.216 6.598 3.121 139 HD22 LEU 25 2HD2 LEU 25 4.717 8.168 3.752 140 HD23 LEU 25 3HD2 LEU 25 6.383 7.625 3.953 141 H TYR 26 H TYR 26 8.059 9.878 5.123 142 HA TYR 26 HA TYR 26 10.211 11.837 4.736 143 HB2 TYR 26 1HB TYR 26 8.705 11.751 6.853 144 HB3 TYR 26 2HB TYR 26 9.697 10.370 7.306 145 HD1 TYR 26 1HD TYR 26 10.287 13.800 5.923 146 HD2 TYR 26 2HD TYR 26 11.383 10.855 8.791 147 HE1 TYR 26 1HE TYR 26 11.985 15.329 6.834 148 HE2 TYR 26 2HE TYR 26 13.083 12.376 9.711 149 HH TYR 26 HH TYR 26 13.156 15.497 9.336 150 H VAL 27 H VAL 27 12.256 10.991 6.124 151 HA VAL 27 HA VAL 27 13.229 8.734 4.621 152 HB VAL 27 HB VAL 27 14.586 10.358 6.777 153 HG11 VAL 27 1HG1 VAL 27 15.790 8.374 6.712 154 HG12 VAL 27 2HG1 VAL 27 15.539 8.161 4.978 155 HG13 VAL 27 3HG1 VAL 27 16.654 9.396 5.564 156 HG21 VAL 27 1HG2 VAL 27 15.034 10.517 3.808 157 HG22 VAL 27 2HG2 VAL 27 13.875 11.546 4.649 158 HG23 VAL 27 3HG2 VAL 27 15.589 11.629 5.059 159 H LEU 28 H LEU 28 12.876 9.466 8.092 160 HA LEU 28 HA LEU 28 13.248 6.647 8.733 161 HB2 LEU 28 1HB LEU 28 12.922 9.089 10.468 162 HB3 LEU 28 2HB LEU 28 13.119 7.452 11.091 163 HG LEU 28 HG LEU 28 15.316 7.571 9.589 164 HD11 LEU 28 1HD1 LEU 28 14.836 9.829 8.768 165 HD12 LEU 28 2HD1 LEU 28 16.329 9.774 9.705 166 HD13 LEU 28 3HD1 LEU 28 14.860 10.431 10.426 167 HD21 LEU 28 1HD2 LEU 28 15.045 8.781 12.339 168 HD22 LEU 28 2HD2 LEU 28 16.538 8.185 11.614 169 HD23 LEU 28 3HD2 LEU 28 15.224 7.065 11.976 170 H GLU 29 H GLU 29 10.843 7.626 7.323 171 HA GLU 29 HA GLU 29 8.859 6.548 9.200 172 HB2 GLU 29 1HB GLU 29 8.376 8.900 7.364 173 HB3 GLU 29 2HB GLU 29 7.197 8.164 8.441 174 HG2 GLU 29 1HG GLU 29 8.739 8.779 10.342 175 HG3 GLU 29 2HG GLU 29 9.638 9.748 9.176 176 H ARG 30 H ARG 30 9.808 7.177 5.870 177 HA ARG 30 HA ARG 30 7.710 5.827 4.586 178 HB2 ARG 30 1HB ARG 30 9.060 5.869 2.626 179 HB3 ARG 30 2HB ARG 30 9.413 7.346 3.513 180 HG2 ARG 30 1HG ARG 30 11.452 6.300 4.404 181 HG3 ARG 30 2HG ARG 30 11.104 4.856 3.450 182 HD2 ARG 30 1HD ARG 30 11.225 6.190 1.399 183 HD3 ARG 30 2HD ARG 30 11.580 7.627 2.357 184 HE ARG 30 HE ARG 30 13.545 5.982 3.110 185 HH11 ARG 30 2HH1 ARG 30 12.317 6.806 -0.041 186 HH12 ARG 30 1HH1 ARG 30 13.840 6.583 -0.837 187 HH21 ARG 30 2HH2 ARG 30 15.556 5.685 2.075 188 HH22 ARG 30 1HH2 ARG 30 15.682 5.945 0.368 189 H LEU 31 H LEU 31 7.278 3.732 4.247 190 HA LEU 31 HA LEU 31 9.204 1.765 5.280 191 HB2 LEU 31 1HB LEU 31 6.238 1.891 5.168 192 HB3 LEU 31 2HB LEU 31 7.000 0.305 5.056 193 HG LEU 31 HG LEU 31 8.208 0.947 7.227 194 HD11 LEU 31 1HD1 LEU 31 6.932 3.367 6.769 195 HD12 LEU 31 2HD1 LEU 31 7.745 2.864 8.250 196 HD13 LEU 31 3HD1 LEU 31 6.008 2.620 8.072 197 HD21 LEU 31 1HD2 LEU 31 6.153 0.352 8.573 198 HD22 LEU 31 2HD2 LEU 31 6.578 -0.763 7.274 199 HD23 LEU 31 3HD2 LEU 31 5.258 0.386 7.053 200 H CYS 32 H CYS 32 10.463 1.211 3.581 201 HA CYS 32 HA CYS 32 9.536 0.968 0.913 202 HB2 CYS 32 1HB CYS 32 11.740 -0.138 0.510 203 HB3 CYS 32 2HB CYS 32 11.867 1.419 1.319 204 HG CYS 32 HG CYS 32 13.673 -0.737 2.224 205 H VAL 33 H VAL 33 7.933 -0.455 0.531 206 HA VAL 33 HA VAL 33 8.447 -3.270 1.231 207 HB VAL 33 HB VAL 33 5.750 -1.907 1.225 208 HG11 VAL 33 1HG1 VAL 33 5.113 -4.172 2.285 209 HG12 VAL 33 2HG1 VAL 33 5.317 -4.085 0.534 210 HG13 VAL 33 3HG1 VAL 33 6.598 -4.763 1.540 211 HG21 VAL 33 1HG2 VAL 33 6.316 -1.302 3.299 212 HG22 VAL 33 2HG2 VAL 33 6.169 -3.009 3.717 213 HG23 VAL 33 3HG2 VAL 33 7.745 -2.336 3.300 214 H ASN 34 H ASN 34 9.052 -4.109 -0.681 215 HA ASN 34 HA ASN 34 8.953 -4.829 -2.836 216 HB2 ASN 34 1HB ASN 34 6.076 -4.422 -2.136 217 HB3 ASN 34 2HB ASN 34 6.495 -4.752 -3.815 218 HD21 ASN 34 1HD2 ASN 34 6.103 -6.038 -0.680 219 HD22 ASN 34 2HD2 ASN 34 6.504 -7.677 -1.053 220 H GLY 35 H GLY 35 9.585 -2.072 -2.336 221 HA2 GLY 35 1HA GLY 35 10.245 -0.437 -3.897 222 HA3 GLY 35 2HA GLY 35 9.023 -1.037 -5.009 223 H HIS 36 H HIS 36 6.883 -0.990 -3.044 224 HA HIS 36 HA HIS 36 6.208 1.814 -3.289 225 HB2 HIS 36 1HB HIS 36 4.608 -0.501 -2.176 226 HB3 HIS 36 2HB HIS 36 3.986 1.119 -2.481 227 HD1 HIS 36 1HD HIS 36 5.141 1.608 -5.284 228 HD2 HIS 36 2HD HIS 36 3.329 -1.938 -4.099 229 HE1 HIS 36 1HE HIS 36 4.352 0.514 -7.407 230 H PHE 37 H PHE 37 6.059 3.279 -1.677 231 HA PHE 37 HA PHE 37 7.034 2.441 0.957 232 HB2 PHE 37 1HB PHE 37 6.791 5.207 -0.245 233 HB3 PHE 37 2HB PHE 37 7.473 4.839 1.336 234 HD1 PHE 37 1HD PHE 37 7.944 4.411 -2.298 235 HD2 PHE 37 2HD PHE 37 9.702 4.101 1.566 236 HE1 PHE 37 1HE PHE 37 10.155 4.098 -3.332 237 HE2 PHE 37 2HE PHE 37 11.916 3.789 0.538 238 HZ PHE 37 HZ PHE 37 12.144 3.788 -1.914 239 H PHE 38 H PHE 38 5.996 3.111 2.876 240 HA PHE 38 HA PHE 38 3.339 4.284 2.658 241 HB2 PHE 38 1HB PHE 38 3.758 1.633 4.051 242 HB3 PHE 38 2HB PHE 38 2.237 2.499 3.858 243 HD1 PHE 38 1HD PHE 38 4.948 0.872 1.906 244 HD2 PHE 38 2HD PHE 38 0.859 2.044 2.052 245 HE1 PHE 38 1HE PHE 38 4.528 -0.344 -0.191 246 HE2 PHE 38 2HE PHE 38 0.432 0.830 -0.044 247 HZ PHE 38 HZ PHE 38 2.267 -0.368 -1.168 248 H HIS 39 H HIS 39 2.404 4.753 4.828 249 HA HIS 39 HA HIS 39 4.424 5.926 6.501 250 HB2 HIS 39 1HB HIS 39 1.427 5.919 6.474 251 HB3 HIS 39 2HB HIS 39 2.282 6.473 7.911 252 HD2 HIS 39 2HD HIS 39 4.657 8.000 5.919 253 HE1 HIS 39 1HE HIS 39 1.320 10.471 5.049 254 HE2 HIS 39 2HE HIS 39 3.820 10.217 4.883 255 H ARG 40 H ARG 40 4.507 5.608 8.844 256 HA ARG 40 HA ARG 40 4.613 2.808 9.482 257 HB2 ARG 40 1HB ARG 40 5.463 5.342 10.784 258 HB3 ARG 40 2HB ARG 40 5.190 3.953 11.828 259 HG2 ARG 40 1HG ARG 40 6.743 2.670 10.292 260 HG3 ARG 40 2HG ARG 40 7.165 4.231 9.585 261 HD2 ARG 40 1HD ARG 40 8.800 3.961 11.198 262 HD3 ARG 40 2HD ARG 40 7.601 4.943 12.038 263 HE ARG 40 HE ARG 40 7.508 2.038 12.369 264 HH11 ARG 40 2HH1 ARG 40 8.189 5.189 13.682 265 HH12 ARG 40 1HH1 ARG 40 8.222 4.641 15.326 266 HH21 ARG 40 2HH2 ARG 40 7.549 1.304 14.528 267 HH22 ARG 40 1HH2 ARG 40 7.858 2.430 15.805 268 H SER 41 H SER 41 2.184 5.079 9.562 269 HA SER 41 HA SER 41 0.824 3.787 11.829 270 HB2 SER 41 1HB SER 41 0.891 6.134 12.186 271 HB3 SER 41 2HB SER 41 0.446 6.478 10.514 272 HG SER 41 HG SER 41 -1.329 6.733 11.924 273 H CYS 42 H CYS 42 0.320 4.880 8.490 274 HA CYS 42 HA CYS 42 -2.277 3.870 8.171 275 HB2 CYS 42 1HB CYS 42 -0.069 4.424 6.191 276 HB3 CYS 42 2HB CYS 42 -1.668 3.877 5.695 277 H PHE 43 H PHE 43 0.878 2.410 7.459 278 HA PHE 43 HA PHE 43 0.019 0.041 6.305 279 HB2 PHE 43 1HB PHE 43 2.427 1.003 6.729 280 HB3 PHE 43 2HB PHE 43 2.349 0.017 8.186 281 HD1 PHE 43 1HD PHE 43 1.073 -2.402 7.427 282 HD2 PHE 43 2HD PHE 43 3.768 -0.003 5.169 283 HE1 PHE 43 1HE PHE 43 1.737 -4.381 6.124 284 HE2 PHE 43 2HE PHE 43 4.436 -1.977 3.862 285 HZ PHE 43 HZ PHE 43 3.419 -4.170 4.338 286 H ARG 44 H ARG 44 -1.897 -0.581 7.405 287 HA ARG 44 HA ARG 44 -1.363 -2.052 9.895 288 HB2 ARG 44 1HB ARG 44 -3.921 -0.556 9.311 289 HB3 ARG 44 2HB ARG 44 -3.507 -1.406 10.793 290 HG2 ARG 44 1HG ARG 44 -1.792 0.203 11.297 291 HG3 ARG 44 2HG ARG 44 -2.043 1.006 9.746 292 HD2 ARG 44 1HD ARG 44 -4.194 1.766 10.387 293 HD3 ARG 44 2HD ARG 44 -4.216 0.719 11.805 294 HE ARG 44 HE ARG 44 -2.073 2.337 12.222 295 HH11 ARG 44 2HH1 ARG 44 -5.437 2.892 11.517 296 HH12 ARG 44 1HH1 ARG 44 -5.503 4.396 12.374 297 HH21 ARG 44 2HH2 ARG 44 -2.147 4.317 13.353 298 HH22 ARG 44 1HH2 ARG 44 -3.630 5.206 13.416 299 H CYS 45 H CYS 45 -3.308 -3.591 10.342 300 HA CYS 45 HA CYS 45 -3.375 -5.510 8.322 301 HB2 CYS 45 1HB CYS 45 -3.843 -5.877 10.771 302 HB3 CYS 45 2HB CYS 45 -5.443 -5.193 10.502 303 H HIS 46 H HIS 46 -5.364 -6.374 7.259 304 HA HIS 46 HA HIS 46 -6.868 -4.148 6.083 305 HB2 HIS 46 1HB HIS 46 -5.721 -5.467 4.440 306 HB3 HIS 46 2HB HIS 46 -6.347 -6.965 5.123 307 HD1 HIS 46 1HD HIS 46 -7.274 -4.123 2.898 308 HD2 HIS 46 2HD HIS 46 -8.999 -7.582 4.420 309 HE1 HIS 46 1HE HIS 46 -9.376 -4.470 1.561 310 H THR 47 H THR 47 -7.226 -6.412 8.452 311 HA THR 47 HA THR 47 -10.148 -6.528 8.068 312 HB THR 47 HB THR 47 -8.281 -8.571 9.256 313 HG1 THR 47 1HG THR 47 -9.887 -8.340 7.012 314 HG21 THR 47 1HG2 THR 47 -11.292 -8.535 9.493 315 HG22 THR 47 2HG2 THR 47 -10.167 -8.219 10.814 316 HG23 THR 47 3HG2 THR 47 -10.210 -9.809 10.054 317 H CYS 48 H CYS 48 -7.512 -6.212 10.398 318 HA CYS 48 HA CYS 48 -9.443 -5.139 12.348 319 HB2 CYS 48 1HB CYS 48 -7.839 -5.752 14.096 320 HB3 CYS 48 2HB CYS 48 -8.286 -7.157 13.134 321 H GLU 49 H GLU 49 -7.124 -4.241 10.170 322 HA GLU 49 HA GLU 49 -5.784 -2.415 9.877 323 HB2 GLU 49 1HB GLU 49 -8.064 -1.251 11.476 324 HB3 GLU 49 2HB GLU 49 -6.813 -0.267 10.729 325 HG2 GLU 49 1HG GLU 49 -7.440 -1.197 8.532 326 HG3 GLU 49 2HG GLU 49 -8.748 -2.085 9.312 327 H ALA 50 H ALA 50 -4.750 -3.997 11.828 328 HA ALA 50 HA ALA 50 -4.071 -2.261 14.083 329 HB1 ALA 50 1HB ALA 50 -3.157 -5.098 13.723 330 HB2 ALA 50 2HB ALA 50 -3.320 -4.170 15.215 331 HB3 ALA 50 3HB ALA 50 -4.759 -4.706 14.347 332 H THR 51 H THR 51 -2.123 -1.337 14.343 333 HA THR 51 HA THR 51 -0.396 -0.779 12.332 334 HB THR 51 HB THR 51 0.464 -1.190 15.203 335 HG1 THR 51 1HG THR 51 -0.881 0.918 13.878 336 HG21 THR 51 1HG2 THR 51 2.324 -0.915 13.612 337 HG22 THR 51 2HG2 THR 51 2.179 0.466 14.700 338 HG23 THR 51 3HG2 THR 51 1.598 0.587 13.040 339 H LEU 52 H LEU 52 0.232 -2.377 10.955 340 HA LEU 52 HA LEU 52 1.228 -4.903 11.845 341 HB2 LEU 52 1HB LEU 52 1.427 -3.580 9.144 342 HB3 LEU 52 2HB LEU 52 1.783 -5.271 9.487 343 HG LEU 52 HG LEU 52 -0.930 -3.983 9.780 344 HD11 LEU 52 1HD1 LEU 52 0.235 -4.405 7.423 345 HD12 LEU 52 2HD1 LEU 52 -1.487 -4.667 7.693 346 HD13 LEU 52 3HD1 LEU 52 -0.373 -6.034 7.719 347 HD21 LEU 52 1HD2 LEU 52 -0.304 -5.993 11.230 348 HD22 LEU 52 2HD2 LEU 52 -0.286 -6.916 9.727 349 HD23 LEU 52 3HD2 LEU 52 -1.769 -6.117 10.255 350 H TRP 53 H TRP 53 2.984 -4.604 13.178 351 HA TRP 53 HA TRP 53 5.155 -2.885 12.609 352 HB2 TRP 53 1HB TRP 53 5.593 -5.326 14.262 353 HB3 TRP 53 2HB TRP 53 6.085 -3.661 14.561 354 HD1 TRP 53 HD TRP 53 3.026 -5.970 14.893 355 HE1 TRP 53 1HE TRP 53 1.423 -4.946 16.626 356 HE3 TRP 53 3HE TRP 53 5.418 -1.521 15.681 357 HZ2 TRP 53 2HZ TRP 53 1.201 -2.567 18.128 358 HZ3 TRP 53 3HZ TRP 53 4.444 0.074 17.282 359 HH2 TRP 53 HH TRP 53 2.379 -0.440 18.478 360 HA PRO 54 HA PRO 54 7.612 -5.133 9.751 361 HB2 PRO 54 1HB PRO 54 10.124 -4.553 10.603 362 HB3 PRO 54 2HB PRO 54 9.086 -3.371 9.798 363 HG2 PRO 54 1HG PRO 54 9.632 -3.734 12.719 364 HG3 PRO 54 2HG PRO 54 9.535 -2.235 11.777 365 HD2 PRO 54 1HD PRO 54 7.494 -3.120 13.320 366 HD3 PRO 54 2HD PRO 54 7.231 -2.208 11.819 367 H GLY 55 H GLY 55 6.968 -6.333 12.612 368 HA2 GLY 55 1HA GLY 55 8.608 -8.708 12.169 369 HA3 GLY 55 2HA GLY 55 8.770 -7.915 13.729 370 H GLY 56 H GLY 56 5.779 -8.174 11.887 371 HA2 GLY 56 1HA GLY 56 4.766 -10.458 13.224 372 HA3 GLY 56 2HA GLY 56 4.226 -8.999 14.043 373 H TYR 57 H TYR 57 4.661 -9.806 10.602 374 HA TYR 57 HA TYR 57 1.821 -9.764 10.126 375 HB2 TYR 57 1HB TYR 57 1.650 -7.809 8.853 376 HB3 TYR 57 2HB TYR 57 2.644 -7.315 10.219 377 HD1 TYR 57 2HD TYR 57 5.209 -7.380 9.866 378 HD2 TYR 57 1HD TYR 57 2.389 -7.423 6.680 379 HE1 TYR 57 2HE TYR 57 6.954 -6.598 8.318 380 HE2 TYR 57 1HE TYR 57 4.126 -6.642 5.124 381 HH TYR 57 HH TYR 57 7.292 -5.657 6.249 382 H GLU 58 H GLU 58 1.363 -9.989 7.726 383 HA GLU 58 HA GLU 58 3.542 -11.055 6.140 384 HB2 GLU 58 1HB GLU 58 1.477 -12.757 7.425 385 HB3 GLU 58 2HB GLU 58 1.871 -13.120 5.751 386 HG2 GLU 58 1HG GLU 58 4.083 -12.782 7.711 387 HG3 GLU 58 2HG GLU 58 3.146 -14.275 7.719 388 H GLN 59 H GLN 59 2.984 -11.369 3.921 389 HA GLN 59 HA GLN 59 0.544 -9.916 3.144 390 HB2 GLN 59 1HB GLN 59 2.583 -8.752 2.493 391 HB3 GLN 59 2HB GLN 59 3.173 -10.195 1.678 392 HG2 GLN 59 1HG GLN 59 1.001 -9.988 0.281 393 HG3 GLN 59 2HG GLN 59 0.991 -8.326 0.869 394 HE21 GLN 59 1HE2 GLN 59 1.134 -8.541 -1.732 395 HE22 GLN 59 2HE2 GLN 59 2.727 -8.244 -2.330 396 H HIS 60 H HIS 60 -0.962 -11.418 2.716 397 HA HIS 60 HA HIS 60 -0.485 -14.011 1.764 398 HB2 HIS 60 1HB HIS 60 -2.602 -13.043 2.868 399 HB3 HIS 60 2HB HIS 60 -3.043 -12.507 1.249 400 HD1 HIS 60 1HD HIS 60 -4.018 -14.227 -0.315 401 HD2 HIS 60 2HD HIS 60 -2.494 -15.897 3.170 402 HE1 HIS 60 1HE HIS 60 -4.760 -16.629 -0.341 403 HA PRO 61 HA PRO 61 0.483 -13.129 -2.476 404 HB2 PRO 61 1HB PRO 61 0.517 -15.707 -3.326 405 HB3 PRO 61 2HB PRO 61 1.830 -14.988 -2.386 406 HG2 PRO 61 1HG PRO 61 -0.421 -16.735 -1.468 407 HG3 PRO 61 2HG PRO 61 1.294 -16.793 -1.021 408 HD2 PRO 61 1HD PRO 61 -0.589 -15.661 0.563 409 HD3 PRO 61 2HD PRO 61 1.084 -15.071 0.497 410 H GLY 62 H GLY 62 -2.060 -15.499 -1.685 411 HA2 GLY 62 1HA GLY 62 -3.432 -15.860 -3.942 412 HA3 GLY 62 2HA GLY 62 -4.266 -15.504 -2.436 413 H ASP 63 H ASP 63 -4.356 -13.079 -1.917 414 HA ASP 63 HA ASP 63 -5.508 -11.774 -4.233 415 HB2 ASP 63 1HB ASP 63 -5.475 -11.212 -1.284 416 HB3 ASP 63 2HB ASP 63 -5.961 -9.954 -2.418 417 H GLY 64 H GLY 64 -3.092 -10.879 -1.758 418 HA2 GLY 64 1HA GLY 64 -0.921 -10.055 -2.610 419 HA3 GLY 64 2HA GLY 64 -1.841 -9.140 -3.795 420 H HIS 65 H HIS 65 -2.652 -9.497 -0.385 421 HA HIS 65 HA HIS 65 -2.086 -6.627 -0.027 422 HB2 HIS 65 1HB HIS 65 -4.386 -8.264 1.050 423 HB3 HIS 65 2HB HIS 65 -3.993 -6.646 1.624 424 HD1 HIS 65 1HD HIS 65 -4.031 -4.753 -0.362 425 HD2 HIS 65 2HD HIS 65 -6.083 -8.297 -1.063 426 HE1 HIS 65 1HE HIS 65 -5.624 -4.248 -2.241 427 H PHE 66 H PHE 66 -2.333 -6.255 2.577 428 HA PHE 66 HA PHE 66 -0.434 -8.159 3.784 429 HB2 PHE 66 1HB PHE 66 -0.681 -5.169 4.128 430 HB3 PHE 66 2HB PHE 66 0.275 -6.181 5.205 431 HD1 PHE 66 1HD PHE 66 2.333 -7.210 4.449 432 HD2 PHE 66 2HD PHE 66 0.031 -4.728 1.868 433 HE1 PHE 66 1HE PHE 66 4.246 -7.042 2.910 434 HE2 PHE 66 2HE PHE 66 1.940 -4.557 0.325 435 HZ PHE 66 HZ PHE 66 4.050 -5.715 0.845 436 H TYR 67 H TYR 67 -1.131 -9.231 5.504 437 HA TYR 67 HA TYR 67 -3.259 -8.045 7.152 438 HB2 TYR 67 1HB TYR 67 -3.134 -10.976 6.433 439 HB3 TYR 67 2HB TYR 67 -4.421 -10.139 7.294 440 HD1 TYR 67 2HD TYR 67 -2.844 -10.645 4.005 441 HD2 TYR 67 1HD TYR 67 -6.107 -8.912 6.114 442 HE1 TYR 67 2HE TYR 67 -4.006 -10.255 1.873 443 HE2 TYR 67 1HE TYR 67 -7.280 -8.518 3.988 444 HH TYR 67 HH TYR 67 -6.341 -9.944 1.080 445 H CYS 68 H CYS 68 -3.423 -9.036 9.318 446 HA CYS 68 HA CYS 68 -0.829 -9.245 10.506 447 HB2 CYS 68 1HB CYS 68 -2.012 -9.389 12.620 448 HB3 CYS 68 2HB CYS 68 -2.740 -8.131 11.626 449 H LEU 69 H LEU 69 -0.455 -11.027 12.195 450 HA LEU 69 HA LEU 69 -0.517 -13.545 10.799 451 HB2 LEU 69 1HB LEU 69 0.455 -13.022 13.599 452 HB3 LEU 69 2HB LEU 69 0.888 -14.366 12.543 453 HG LEU 69 HG LEU 69 1.698 -11.479 12.210 454 HD11 LEU 69 1HD1 LEU 69 3.436 -13.885 12.687 455 HD12 LEU 69 2HD1 LEU 69 2.827 -12.866 13.991 456 HD13 LEU 69 3HD1 LEU 69 3.885 -12.181 12.758 457 HD21 LEU 69 1HD2 LEU 69 1.216 -12.845 10.091 458 HD22 LEU 69 2HD2 LEU 69 2.648 -13.776 10.532 459 HD23 LEU 69 3HD2 LEU 69 2.782 -12.044 10.224 460 H GLN 70 H GLN 70 -2.975 -12.182 12.076 461 HA GLN 70 HA GLN 70 -3.948 -14.604 13.439 462 HB2 GLN 70 1HB GLN 70 -3.623 -12.815 15.079 463 HB3 GLN 70 2HB GLN 70 -4.630 -11.738 14.120 464 HG2 GLN 70 1HG GLN 70 -6.572 -13.042 14.552 465 HG3 GLN 70 2HG GLN 70 -5.615 -14.324 15.293 466 HE21 GLN 70 1HE2 GLN 70 -7.202 -13.966 17.035 467 HE22 GLN 70 2HE2 GLN 70 -6.854 -12.757 18.219 468 H HIS 71 H HIS 71 -4.334 -12.363 10.940 469 HA HIS 71 HA HIS 71 -7.059 -13.357 10.415 470 HB2 HIS 71 1HB HIS 71 -5.882 -10.621 10.055 471 HB3 HIS 71 2HB HIS 71 -7.219 -11.147 9.037 472 HD2 HIS 71 2HD HIS 71 -8.264 -12.728 12.108 473 HE1 HIS 71 1HE HIS 71 -9.438 -8.693 12.690 474 HE2 HIS 71 2HE HIS 71 -9.631 -11.058 13.533 475 H LEU 72 H LEU 72 -3.851 -13.019 9.303 476 HA LEU 72 HA LEU 72 -4.069 -12.984 6.556 477 HB2 LEU 72 1HB LEU 72 -1.958 -12.925 7.856 478 HB3 LEU 72 2HB LEU 72 -2.133 -14.653 8.153 479 HG LEU 72 HG LEU 72 -2.192 -14.708 5.493 480 HD11 LEU 72 1HD1 LEU 72 -0.641 -13.088 4.555 481 HD12 LEU 72 2HD1 LEU 72 -0.500 -12.293 6.122 482 HD13 LEU 72 3HD1 LEU 72 -2.039 -12.276 5.261 483 HD21 LEU 72 1HD2 LEU 72 0.538 -14.363 6.551 484 HD22 LEU 72 2HD2 LEU 72 -0.180 -15.712 5.671 485 HD23 LEU 72 3HD2 LEU 72 -0.478 -15.529 7.400 486 HA PRO 73 HA PRO 73 -6.396 -16.729 5.856 487 HB2 PRO 73 1HB PRO 73 -6.520 -16.458 3.158 488 HB3 PRO 73 2HB PRO 73 -7.547 -15.538 4.264 489 HG2 PRO 73 1HG PRO 73 -5.028 -14.701 2.880 490 HG3 PRO 73 2HG PRO 73 -6.535 -13.794 3.106 491 HD2 PRO 73 1HD PRO 73 -4.347 -13.391 4.650 492 HD3 PRO 73 2HD PRO 73 -6.000 -13.198 5.267 493 H GLN 74 H GLN 74 -6.152 -18.537 4.109 494 HA GLN 74 HA GLN 74 -3.447 -19.005 3.216 495 HB2 GLN 74 1HB GLN 74 -4.659 -20.529 5.503 496 HB3 GLN 74 2HB GLN 74 -3.464 -21.280 4.453 497 HG2 GLN 74 1HG GLN 74 -2.085 -20.487 6.064 498 HG3 GLN 74 2HG GLN 74 -2.118 -19.077 5.008 499 HE21 GLN 74 1HE2 GLN 74 -1.373 -18.482 7.404 500 HE22 GLN 74 2HE2 GLN 74 -2.628 -17.762 8.348 501 H THR 75 H THR 75 -3.453 -20.177 1.400 502 HA THR 75 HA THR 75 -5.969 -21.491 0.636 503 HB THR 75 HB THR 75 -5.156 -19.693 -0.868 504 HG1 THR 75 1HG THR 75 -5.712 -20.833 -2.640 505 HG21 THR 75 1HG2 THR 75 -2.897 -19.616 -1.022 506 HG22 THR 75 2HG2 THR 75 -3.166 -20.721 -2.370 507 HG23 THR 75 3HG2 THR 75 -2.717 -21.354 -0.787 508 H ASP 76 H ASP 76 -4.204 -22.829 2.390 509 HA ASP 76 HA ASP 76 -3.448 -25.101 0.688 510 HB2 ASP 76 1HB ASP 76 -1.390 -25.438 1.831 511 HB3 ASP 76 2HB ASP 76 -1.439 -23.729 1.406 512 H SER 77 H SER 77 -4.311 -23.922 3.896 513 HA SER 77 HA SER 77 -5.363 -26.604 4.514 514 HB2 SER 77 1HB SER 77 -3.445 -26.286 5.923 515 HB3 SER 77 2HB SER 77 -3.967 -24.659 6.362 516 HG SER 77 HG SER 77 -5.493 -26.975 6.937 517 H GLY 78 H GLY 78 -7.471 -26.672 4.941 518 HA2 GLY 78 1HA GLY 78 -8.826 -24.527 6.301 519 HA3 GLY 78 2HA GLY 78 -9.249 -24.638 4.598 520 HA PRO 79 HA PRO 79 -11.075 -28.242 7.329 521 HB2 PRO 79 1HB PRO 79 -12.621 -27.088 9.239 522 HB3 PRO 79 2HB PRO 79 -10.937 -27.547 9.515 523 HG2 PRO 79 1HG PRO 79 -12.086 -24.859 8.870 524 HG3 PRO 79 2HG PRO 79 -10.834 -25.287 10.051 525 HD2 PRO 79 1HD PRO 79 -10.251 -24.238 7.623 526 HD3 PRO 79 2HD PRO 79 -9.181 -25.390 8.448 527 H SER 80 H SER 80 -12.052 -25.598 5.613 528 HA SER 80 HA SER 80 -14.735 -25.331 5.661 529 HB2 SER 80 1HB SER 80 -14.670 -24.946 3.217 530 HB3 SER 80 2HB SER 80 -13.331 -24.151 4.046 531 HG SER 80 HG SER 80 -13.271 -26.550 2.540 532 H SER 81 H SER 81 -13.016 -27.953 3.982 533 HA SER 81 HA SER 81 -15.112 -29.300 2.849 534 HB2 SER 81 1HB SER 81 -13.750 -31.299 2.928 535 HB3 SER 81 2HB SER 81 -12.696 -29.914 2.642 536 HG SER 81 HG SER 81 -13.159 -31.139 5.162 537 H GLY 82 H GLY 82 -13.900 -29.692 6.174 538 HA2 GLY 82 1HA GLY 82 -15.104 -30.216 8.087 539 HA3 GLY 82 2HA GLY 82 -16.555 -30.337 7.103
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