NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6391 | 1iy5 | 5469 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 3 1HT ALA 3 2.726 1.729 -10.785 2 2H ALA 3 2HT ALA 3 1.898 1.690 -12.267 3 3H ALA 3 3HT ALA 3 1.328 2.668 -10.999 4 HA ALA 3 HA ALA 3 3.803 3.037 -12.591 5 1HB ALA 3 1HB ALA 3 1.548 4.985 -12.094 6 2HB ALA 3 2HB ALA 3 1.488 3.824 -13.419 7 3HB ALA 3 3HB ALA 3 2.773 5.032 -13.362 8 H VAL 4 H VAL 4 2.120 3.644 -9.585 9 HA VAL 4 HA VAL 4 4.591 4.872 -8.511 10 HB VAL 4 HB VAL 4 3.380 6.847 -9.161 11 1HG1 VAL 4 1HG1 VAL 4 0.950 6.385 -7.596 12 2HG1 VAL 4 2HG1 VAL 4 1.134 5.230 -8.915 13 3HG1 VAL 4 3HG1 VAL 4 1.122 6.961 -9.254 14 1HG2 VAL 4 1HG2 VAL 4 3.862 6.160 -6.434 15 2HG2 VAL 4 2HG2 VAL 4 2.369 7.098 -6.488 16 3HG2 VAL 4 3HG2 VAL 4 3.857 7.767 -7.160 17 H SER 5 H SER 5 4.981 3.474 -6.851 18 HA SER 5 HA SER 5 2.776 3.000 -4.913 19 1HB SER 5 2HB SER 5 3.967 0.599 -4.788 20 2HB SER 5 1HB SER 5 2.629 0.923 -5.888 21 HG SER 5 HG SER 5 4.583 -0.051 -6.819 22 H VAL 6 H VAL 6 5.255 4.694 -4.975 23 HA VAL 6 HA VAL 6 7.014 5.246 -3.523 24 HB VAL 6 HB VAL 6 5.323 3.507 -1.703 25 1HG1 VAL 6 1HG1 VAL 6 7.656 5.336 -1.056 26 2HG1 VAL 6 2HG1 VAL 6 7.628 3.583 -0.868 27 3HG1 VAL 6 3HG1 VAL 6 6.594 4.595 0.140 28 1HG2 VAL 6 1HG2 VAL 6 5.653 6.513 -1.705 29 2HG2 VAL 6 2HG2 VAL 6 4.388 5.557 -0.935 30 3HG2 VAL 6 3HG2 VAL 6 4.429 5.712 -2.691 31 H ASP 7 H ASP 7 8.895 4.258 -2.310 32 HA ASP 7 HA ASP 7 9.903 1.985 -3.780 33 1HB ASP 7 2HB ASP 7 11.491 3.615 -3.047 34 2HB ASP 7 1HB ASP 7 10.932 3.508 -1.376 35 H CYS 8 H CYS 8 8.937 0.020 -3.404 36 HA CYS 8 HA CYS 8 8.427 -0.790 -0.577 37 1HB CYS 8 2HB CYS 8 7.552 -2.149 -3.144 38 2HB CYS 8 1HB CYS 8 7.040 -2.569 -1.513 39 H SER 9 H SER 9 11.060 -0.762 -0.994 40 HA SER 9 HA SER 9 11.933 -3.394 -2.036 41 1HB SER 9 2HB SER 9 13.312 -0.859 -1.218 42 2HB SER 9 1HB SER 9 14.225 -2.366 -1.186 43 HG SER 9 HG SER 9 13.918 -2.602 -3.335 44 H GLU 10 H GLU 10 11.433 -1.675 0.944 45 HA GLU 10 HA GLU 10 12.876 -3.517 2.646 46 1HB GLU 10 2HB GLU 10 12.601 -1.486 3.708 47 2HB GLU 10 1HB GLU 10 11.027 -1.198 2.974 48 1HG GLU 10 2HG GLU 10 10.694 -1.567 5.334 49 2HG GLU 10 1HG GLU 10 10.080 -2.978 4.476 50 H TYR 11 H TYR 11 10.051 -3.880 0.870 51 HA TYR 11 HA TYR 11 8.696 -5.572 2.877 52 1HB TYR 11 2HB TYR 11 7.965 -4.685 0.081 53 2HB TYR 11 1HB TYR 11 6.981 -5.812 1.011 54 HD1 TYR 11 1HD TYR 11 5.436 -5.007 2.627 55 HD2 TYR 11 2HD TYR 11 8.557 -2.441 1.180 56 HE1 TYR 11 1HE TYR 11 4.425 -3.095 3.839 57 HE2 TYR 11 2HE TYR 11 7.545 -0.523 2.387 58 HH TYR 11 HH TYR 11 4.742 -0.183 3.266 59 HA PRO 12 HA PRO 12 6.934 -7.085 2.265 60 1HB PRO 12 2HB PRO 12 6.702 -9.551 3.450 61 2HB PRO 12 1HB PRO 12 6.226 -9.213 1.777 62 1HG PRO 12 2HG PRO 12 8.637 -10.655 2.791 63 2HG PRO 12 1HG PRO 12 7.776 -10.848 1.254 64 1HD PRO 12 2HD PRO 12 10.199 -9.453 1.600 65 2HD PRO 12 1HD PRO 12 9.124 -9.320 0.191 66 H LYS 13 H LYS 13 6.275 -6.904 4.515 67 HA LYS 13 HA LYS 13 8.603 -6.534 6.321 68 1HB LYS 13 2HB LYS 13 5.754 -5.538 6.321 69 2HB LYS 13 1HB LYS 13 6.795 -5.366 7.734 70 1HG LYS 13 2HG LYS 13 8.502 -4.326 6.065 71 2HG LYS 13 1HG LYS 13 7.103 -4.128 5.006 72 1HD LYS 13 2HD LYS 13 6.057 -3.186 7.304 73 2HD LYS 13 1HD LYS 13 7.750 -2.762 7.564 74 1HE LYS 13 2HE LYS 13 7.449 -1.953 4.993 75 2HE LYS 13 1HE LYS 13 5.809 -1.696 5.591 76 1HZ LYS 13 1HZ LYS 13 7.896 -0.807 7.378 77 2HZ LYS 13 2HZ LYS 13 6.460 -0.030 6.908 78 3HZ LYS 13 3HZ LYS 13 7.832 0.038 5.909 79 HA PRO 14 HA PRO 14 7.430 -9.951 8.835 80 1HB PRO 14 2HB PRO 14 8.542 -9.115 11.210 81 2HB PRO 14 1HB PRO 14 9.496 -9.735 9.851 82 1HG PRO 14 2HG PRO 14 9.195 -6.928 10.805 83 2HG PRO 14 1HG PRO 14 10.527 -7.670 9.905 84 1HD PRO 14 2HD PRO 14 8.497 -6.014 8.817 85 2HD PRO 14 1HD PRO 14 9.655 -6.997 7.897 86 H ALA 15 H ALA 15 6.056 -6.936 9.082 87 HA ALA 15 HA ALA 15 3.657 -7.687 10.287 88 1HB ALA 15 1HB ALA 15 3.991 -7.759 12.515 89 2HB ALA 15 2HB ALA 15 4.706 -6.147 12.486 90 3HB ALA 15 3HB ALA 15 5.721 -7.568 12.233 91 H CYS 16 H CYS 16 2.214 -5.886 10.348 92 HA CYS 16 HA CYS 16 3.374 -3.416 9.178 93 1HB CYS 16 2HB CYS 16 0.596 -4.569 9.321 94 2HB CYS 16 1HB CYS 16 0.836 -2.863 8.951 95 H THR 17 H THR 17 2.787 -1.322 10.052 96 HA THR 17 HA THR 17 2.563 -1.376 12.999 97 HB THR 17 HB THR 17 2.705 1.285 12.172 98 HG1 THR 17 1HG THR 17 4.674 -0.008 10.700 99 1HG2 THR 17 1HG2 THR 17 4.141 0.845 13.888 100 2HG2 THR 17 2HG2 THR 17 5.309 0.630 12.585 101 3HG2 THR 17 3HG2 THR 17 4.511 -0.775 13.293 102 H MET 18 H MET 18 1.182 0.674 13.821 103 HA MET 18 HA MET 18 -1.551 0.133 12.900 104 1HB MET 18 2HB MET 18 -0.291 1.271 15.267 105 2HB MET 18 1HB MET 18 -1.646 2.256 14.718 106 1HG MET 18 2HG MET 18 -3.043 0.763 15.660 107 2HG MET 18 1HG MET 18 -2.498 -0.423 14.475 108 1HE MET 18 1HE MET 18 -2.304 1.283 17.560 109 2HE MET 18 2HE MET 18 -0.953 0.660 18.506 110 3HE MET 18 3HE MET 18 -2.523 -0.133 18.599 111 H GLU 19 H GLU 19 0.727 1.878 11.487 112 HA GLU 19 HA GLU 19 -0.023 4.530 11.196 113 1HB GLU 19 2HB GLU 19 1.762 3.129 9.895 114 2HB GLU 19 1HB GLU 19 0.466 2.879 8.724 115 1HG GLU 19 2HG GLU 19 1.218 4.845 7.844 116 2HG GLU 19 1HG GLU 19 0.260 5.567 9.137 117 H TYR 20 H TYR 20 -1.900 5.526 10.642 118 HA TYR 20 HA TYR 20 -4.089 3.866 9.509 119 1HB TYR 20 2HB TYR 20 -4.104 5.643 11.555 120 2HB TYR 20 1HB TYR 20 -4.563 6.690 10.214 121 HD1 TYR 20 1HD TYR 20 -5.934 4.556 8.515 122 HD2 TYR 20 2HD TYR 20 -6.229 5.538 12.688 123 HE1 TYR 20 1HE TYR 20 -8.233 3.627 8.573 124 HE2 TYR 20 2HE TYR 20 -8.526 4.608 12.743 125 HH TYR 20 HH TYR 20 -10.391 4.167 10.264 126 H ARG 21 H ARG 21 -2.106 4.470 7.667 127 HA ARG 21 HA ARG 21 -2.911 6.853 6.146 128 1HB ARG 21 2HB ARG 21 -0.702 4.895 6.069 129 2HB ARG 21 1HB ARG 21 -1.228 5.473 4.489 130 1HG ARG 21 2HG ARG 21 -0.740 7.414 6.741 131 2HG ARG 21 1HG ARG 21 0.599 6.832 5.752 132 1HD ARG 21 2HD ARG 21 -0.341 7.737 3.759 133 2HD ARG 21 1HD ARG 21 -1.907 7.999 4.529 134 HE ARG 21 HE ARG 21 0.421 9.503 5.595 135 1HH1 ARG 21 1HH2 ARG 21 -0.335 10.600 2.939 136 2HH1 ARG 21 2HH2 ARG 21 -1.558 11.759 3.341 137 1HH2 ARG 21 1HH1 ARG 21 -2.104 10.473 6.516 138 2HH2 ARG 21 2HH1 ARG 21 -2.561 11.686 5.367 139 HA PRO 22 HA PRO 22 -5.885 4.220 4.034 140 1HB PRO 22 2HB PRO 22 -7.289 6.308 2.938 141 2HB PRO 22 1HB PRO 22 -7.522 5.746 4.600 142 1HG PRO 22 2HG PRO 22 -6.156 8.208 3.630 143 2HG PRO 22 1HG PRO 22 -6.915 7.890 5.198 144 1HD PRO 22 2HD PRO 22 -4.126 7.843 4.637 145 2HD PRO 22 1HD PRO 22 -4.914 7.279 6.127 146 H LEU 23 H LEU 23 -5.163 3.273 2.144 147 HA LEU 23 HA LEU 23 -4.233 5.097 -0.039 148 1HB LEU 23 2HB LEU 23 -3.362 2.242 0.510 149 2HB LEU 23 1HB LEU 23 -2.810 3.241 -0.836 150 HG LEU 23 HG LEU 23 -2.359 3.727 2.122 151 1HD1 LEU 23 1HD1 LEU 23 -0.777 2.167 1.212 152 2HD1 LEU 23 2HD1 LEU 23 0.045 3.724 1.311 153 3HD1 LEU 23 3HD1 LEU 23 -0.559 3.142 -0.240 154 1HD2 LEU 23 1HD2 LEU 23 -1.713 5.497 -0.258 155 2HD2 LEU 23 2HD2 LEU 23 -1.167 5.781 1.395 156 3HD2 LEU 23 3HD2 LEU 23 -2.886 5.854 1.010 157 H CYS 24 H CYS 24 -5.567 5.086 -1.773 158 HA CYS 24 HA CYS 24 -7.622 2.977 -1.979 159 1HB CYS 24 2HB CYS 24 -8.238 5.361 -2.330 160 2HB CYS 24 1HB CYS 24 -7.133 5.429 -3.702 161 H GLY 25 H GLY 25 -6.493 1.136 -2.717 162 1HA GLY 25 2HA GLY 25 -4.428 1.111 -4.656 163 2HA GLY 25 1HA GLY 25 -5.477 -0.264 -4.307 164 H SER 26 H SER 26 -4.473 0.668 -6.938 165 HA SER 26 HA SER 26 -6.456 2.051 -8.427 166 1HB SER 26 2HB SER 26 -4.037 0.665 -8.955 167 2HB SER 26 1HB SER 26 -5.253 0.006 -10.043 168 HG SER 26 HG SER 26 -5.618 2.017 -10.847 169 H ASP 27 H ASP 27 -6.662 -1.009 -6.949 170 HA ASP 27 HA ASP 27 -8.570 -2.122 -8.894 171 1HB ASP 27 2HB ASP 27 -8.645 -4.042 -7.433 172 2HB ASP 27 1HB ASP 27 -6.961 -3.531 -7.536 173 H ASN 28 H ASN 28 -8.973 0.435 -7.145 174 HA ASN 28 HA ASN 28 -10.846 1.485 -6.208 175 1HB ASN 28 2HB ASN 28 -11.871 -0.339 -8.028 176 2HB ASN 28 1HB ASN 28 -12.711 -0.751 -6.532 177 1HD2 ASN 28 1HD2 ASN 28 -14.553 0.231 -8.048 178 2HD2 ASN 28 2HD2 ASN 28 -14.831 1.894 -7.859 179 H LYS 29 H LYS 29 -9.069 -0.073 -4.559 180 HA LYS 29 HA LYS 29 -11.027 -0.984 -2.481 181 1HB LYS 29 2HB LYS 29 -9.131 -2.569 -3.725 182 2HB LYS 29 1HB LYS 29 -8.328 -2.093 -2.228 183 1HG LYS 29 2HG LYS 29 -11.098 -2.753 -1.714 184 2HG LYS 29 1HG LYS 29 -10.291 -4.091 -2.535 185 1HD LYS 29 2HD LYS 29 -8.728 -4.373 -0.825 186 2HD LYS 29 1HD LYS 29 -8.915 -2.716 -0.243 187 1HE LYS 29 2HE LYS 29 -11.078 -3.210 0.696 188 2HE LYS 29 1HE LYS 29 -11.106 -4.798 -0.069 189 1HZ LYS 29 1HZ LYS 29 -9.353 -3.869 2.129 190 2HZ LYS 29 2HZ LYS 29 -9.040 -5.288 1.247 191 3HZ LYS 29 3HZ LYS 29 -10.470 -5.145 2.152 192 H THR 30 H THR 30 -10.251 -0.689 -0.236 193 HA THR 30 HA THR 30 -8.523 1.737 -0.028 194 HB THR 30 HB THR 30 -10.693 0.625 1.764 195 HG1 THR 30 1HG THR 30 -11.605 1.908 0.308 196 1HG2 THR 30 1HG2 THR 30 -8.797 2.930 2.290 197 2HG2 THR 30 2HG2 THR 30 -8.823 1.400 3.163 198 3HG2 THR 30 3HG2 THR 30 -10.189 2.506 3.284 199 H TYR 31 H TYR 31 -6.804 1.744 1.489 200 HA TYR 31 HA TYR 31 -6.138 -0.914 2.680 201 1HB TYR 31 2HB TYR 31 -4.536 0.961 1.022 202 2HB TYR 31 1HB TYR 31 -3.709 0.107 2.319 203 HD1 TYR 31 1HD TYR 31 -4.390 -0.075 -1.048 204 HD2 TYR 31 2HD TYR 31 -4.651 -2.499 2.489 205 HE1 TYR 31 1HE TYR 31 -4.354 -2.121 -2.448 206 HE2 TYR 31 2HE TYR 31 -4.611 -4.546 1.088 207 HH TYR 31 HH TYR 31 -5.287 -4.642 -2.037 208 H GLY 32 H GLY 32 -4.624 -0.711 4.551 209 1HA GLY 32 2HA GLY 32 -5.548 1.485 6.279 210 2HA GLY 32 1HA GLY 32 -4.622 0.078 6.800 211 H ASN 33 H ASN 33 -2.705 0.606 4.465 212 HA ASN 33 HA ASN 33 -1.487 3.155 4.792 213 1HB ASN 33 2HB ASN 33 0.389 2.562 6.307 214 2HB ASN 33 1HB ASN 33 -1.170 2.498 7.129 215 1HD2 ASN 33 1HD2 ASN 33 0.508 0.997 8.488 216 2HD2 ASN 33 2HD2 ASN 33 0.411 -0.655 8.110 217 H LYS 34 H LYS 34 0.932 3.032 4.176 218 HA LYS 34 HA LYS 34 1.170 1.644 1.697 219 1HB LYS 34 2HB LYS 34 3.377 2.530 1.573 220 2HB LYS 34 1HB LYS 34 2.438 3.740 2.445 221 1HG LYS 34 2HG LYS 34 3.237 2.758 4.596 222 2HG LYS 34 1HG LYS 34 4.249 1.644 3.676 223 1HD LYS 34 2HD LYS 34 4.474 4.568 3.082 224 2HD LYS 34 1HD LYS 34 5.220 3.958 4.559 225 1HE LYS 34 2HE LYS 34 6.098 2.075 2.865 226 2HE LYS 34 1HE LYS 34 5.916 3.400 1.715 227 1HZ LYS 34 1HZ LYS 34 7.113 4.620 3.778 228 2HZ LYS 34 2HZ LYS 34 7.938 3.973 2.441 229 3HZ LYS 34 3HZ LYS 34 7.806 3.076 3.878 230 H CYS 35 H CYS 35 1.465 0.479 4.871 231 HA CYS 35 HA CYS 35 3.525 -1.513 4.342 232 1HB CYS 35 2HB CYS 35 2.939 -0.673 6.643 233 2HB CYS 35 1HB CYS 35 1.392 -1.508 6.497 234 H ASN 36 H ASN 36 0.017 -1.305 4.209 235 HA ASN 36 HA ASN 36 -0.295 -4.140 3.505 236 1HB ASN 36 2HB ASN 36 -1.940 -2.157 4.617 237 2HB ASN 36 1HB ASN 36 -2.589 -2.424 3.003 238 1HD2 ASN 36 1HD2 ASN 36 -1.693 -4.154 6.010 239 2HD2 ASN 36 2HD2 ASN 36 -2.729 -5.473 5.746 240 H PHE 37 H PHE 37 0.403 -1.200 1.936 241 HA PHE 37 HA PHE 37 -0.805 -1.948 -0.642 242 1HB PHE 37 2HB PHE 37 -0.609 0.438 0.234 243 2HB PHE 37 1HB PHE 37 1.122 0.318 -0.072 244 HD1 PHE 37 1HD PHE 37 1.840 1.206 -2.096 245 HD2 PHE 37 2HD PHE 37 -2.069 -0.565 -1.859 246 HE1 PHE 37 1HE PHE 37 1.448 1.747 -4.485 247 HE2 PHE 37 2HE PHE 37 -2.458 -0.026 -4.245 248 HZ PHE 37 HZ PHE 37 -0.701 1.131 -5.560 249 H CYS 38 H CYS 38 2.482 -1.515 0.687 250 HA CYS 38 HA CYS 38 3.808 -2.433 -1.705 251 1HB CYS 38 2HB CYS 38 4.694 -2.135 1.170 252 2HB CYS 38 1HB CYS 38 5.772 -2.732 -0.084 253 H ASN 39 H ASN 39 2.546 -3.986 1.188 254 HA ASN 39 HA ASN 39 3.804 -6.554 0.616 255 1HB ASN 39 2HB ASN 39 2.270 -5.406 2.751 256 2HB ASN 39 1HB ASN 39 1.485 -6.899 2.240 257 1HD2 ASN 39 1HD2 ASN 39 3.124 -8.815 1.917 258 2HD2 ASN 39 2HD2 ASN 39 4.360 -8.946 3.073 259 H ALA 40 H ALA 40 0.527 -5.214 0.285 260 HA ALA 40 HA ALA 40 -0.624 -7.519 -0.951 261 1HB ALA 40 1HB ALA 40 -2.421 -6.097 -1.602 262 2HB ALA 40 2HB ALA 40 -1.378 -4.674 -1.655 263 3HB ALA 40 3HB ALA 40 -1.820 -5.387 -0.103 264 H VAL 41 H VAL 41 1.671 -5.209 -1.993 265 HA VAL 41 HA VAL 41 1.248 -5.694 -4.864 266 HB VAL 41 HB VAL 41 3.212 -4.060 -3.250 267 1HG1 VAL 41 1HG1 VAL 41 4.174 -3.322 -5.428 268 2HG1 VAL 41 2HG1 VAL 41 3.224 -4.565 -6.242 269 3HG1 VAL 41 3HG1 VAL 41 4.486 -5.027 -5.100 270 1HG2 VAL 41 1HG2 VAL 41 1.937 -2.279 -3.884 271 2HG2 VAL 41 2HG2 VAL 41 0.694 -3.501 -4.154 272 3HG2 VAL 41 3HG2 VAL 41 1.671 -2.922 -5.505 273 H VAL 42 H VAL 42 3.434 -6.685 -2.262 274 HA VAL 42 HA VAL 42 5.203 -8.137 -4.090 275 HB VAL 42 HB VAL 42 4.966 -8.090 -1.070 276 1HG1 VAL 42 1HG1 VAL 42 7.330 -9.221 -1.392 277 2HG1 VAL 42 2HG1 VAL 42 6.644 -9.749 -2.929 278 3HG1 VAL 42 3HG1 VAL 42 5.871 -10.213 -1.412 279 1HG2 VAL 42 1HG2 VAL 42 5.860 -6.061 -2.273 280 2HG2 VAL 42 2HG2 VAL 42 7.141 -7.080 -2.930 281 3HG2 VAL 42 3HG2 VAL 42 7.028 -6.816 -1.189 282 H GLU 43 H GLU 43 2.201 -8.764 -2.556 283 HA GLU 43 HA GLU 43 2.564 -11.697 -2.645 284 1HB GLU 43 2HB GLU 43 0.483 -11.850 -1.500 285 2HB GLU 43 1HB GLU 43 1.282 -10.445 -0.794 286 1HG GLU 43 2HG GLU 43 -0.011 -8.941 -2.209 287 2HG GLU 43 1HG GLU 43 -0.741 -10.310 -3.049 288 H SER 44 H SER 44 0.705 -9.131 -4.241 289 HA SER 44 HA SER 44 -0.654 -10.966 -6.046 290 1HB SER 44 2HB SER 44 -0.540 -8.050 -5.596 291 2HB SER 44 1HB SER 44 -0.782 -8.518 -7.276 292 HG SER 44 HG SER 44 -2.482 -8.646 -5.166 293 H ASN 45 H ASN 45 2.503 -9.803 -5.848 294 HA ASN 45 HA ASN 45 4.314 -10.099 -7.309 295 1HB ASN 45 2HB ASN 45 2.527 -12.056 -8.070 296 2HB ASN 45 1HB ASN 45 2.765 -11.158 -9.572 297 1HD2 ASN 45 1HD2 ASN 45 3.896 -13.360 -10.120 298 2HD2 ASN 45 2HD2 ASN 45 5.546 -13.470 -9.744 299 H GLY 46 H GLY 46 2.117 -7.868 -7.486 300 1HA GLY 46 2HA GLY 46 2.760 -5.775 -8.661 301 2HA GLY 46 1HA GLY 46 3.158 -6.764 -10.063 302 H THR 47 H THR 47 0.339 -7.974 -8.670 303 HA THR 47 HA THR 47 -1.247 -6.836 -10.871 304 HB THR 47 HB THR 47 -2.893 -8.319 -9.072 305 HG1 THR 47 1HG THR 47 -0.750 -9.915 -9.829 306 1HG2 THR 47 1HG2 THR 47 -2.401 -8.111 -11.782 307 2HG2 THR 47 2HG2 THR 47 -3.494 -9.272 -11.030 308 3HG2 THR 47 3HG2 THR 47 -1.835 -9.739 -11.406 309 H LEU 48 H LEU 48 -0.318 -5.391 -8.216 310 HA LEU 48 HA LEU 48 -3.001 -4.157 -7.705 311 1HB LEU 48 2HB LEU 48 -2.188 -5.484 -5.753 312 2HB LEU 48 1HB LEU 48 -0.739 -4.478 -5.706 313 HG LEU 48 HG LEU 48 -2.200 -2.467 -5.446 314 1HD1 LEU 48 1HD1 LEU 48 -4.579 -3.588 -4.503 315 2HD1 LEU 48 2HD1 LEU 48 -4.230 -4.491 -5.977 316 3HD1 LEU 48 3HD1 LEU 48 -4.364 -2.732 -6.031 317 1HD2 LEU 48 1HD2 LEU 48 -3.110 -4.198 -3.228 318 2HD2 LEU 48 2HD2 LEU 48 -2.156 -2.717 -3.180 319 3HD2 LEU 48 3HD2 LEU 48 -1.376 -4.255 -3.544 320 H THR 49 H THR 49 -3.071 -2.002 -8.031 321 HA THR 49 HA THR 49 -0.469 -0.564 -8.348 322 HB THR 49 HB THR 49 -2.167 0.912 -9.819 323 HG1 THR 49 1HG THR 49 -3.433 -0.602 -11.005 324 1HG2 THR 49 1HG2 THR 49 -0.492 -1.480 -10.550 325 2HG2 THR 49 2HG2 THR 49 -0.098 0.230 -10.727 326 3HG2 THR 49 3HG2 THR 49 -1.299 -0.511 -11.782 327 H LEU 50 H LEU 50 -1.490 2.004 -8.521 328 HA LEU 50 HA LEU 50 -2.844 2.383 -5.879 329 1HB LEU 50 2HB LEU 50 -0.478 3.035 -5.745 330 2HB LEU 50 1HB LEU 50 -0.660 4.062 -7.167 331 HG LEU 50 HG LEU 50 -2.701 4.930 -5.505 332 1HD1 LEU 50 1HD1 LEU 50 -0.231 4.258 -3.879 333 2HD1 LEU 50 2HD1 LEU 50 -1.871 3.673 -3.604 334 3HD1 LEU 50 3HD1 LEU 50 -1.485 5.374 -3.340 335 1HD2 LEU 50 1HD2 LEU 50 -1.224 6.909 -5.187 336 2HD2 LEU 50 2HD2 LEU 50 -1.219 6.343 -6.858 337 3HD2 LEU 50 3HD2 LEU 50 0.138 5.967 -5.796 338 H SER 51 H SER 51 -4.391 4.076 -5.846 339 HA SER 51 HA SER 51 -5.131 5.144 -8.539 340 1HB SER 51 2HB SER 51 -7.141 4.178 -8.132 341 2HB SER 51 1HB SER 51 -6.702 3.815 -6.469 342 HG SER 51 HG SER 51 -7.247 5.965 -5.939 343 H HIS 52 H HIS 52 -4.817 5.816 -5.093 344 HA HIS 52 HA HIS 52 -3.915 8.457 -5.465 345 1HB HIS 52 2HB HIS 52 -5.746 9.837 -5.412 346 2HB HIS 52 1HB HIS 52 -6.532 8.445 -6.142 347 HD1 HIS 52 1HD HIS 52 -8.051 6.974 -4.574 348 HD2 HIS 52 2HD HIS 52 -6.574 10.438 -2.786 349 HE1 HIS 52 1HE HIS 52 -9.400 7.320 -2.458 350 H PHE 53 H PHE 53 -2.596 8.321 -3.753 351 HA PHE 53 HA PHE 53 -2.787 6.808 -1.458 352 1HB PHE 53 2HB PHE 53 -1.440 9.345 -2.160 353 2HB PHE 53 1HB PHE 53 -1.647 9.067 -0.433 354 HD1 PHE 53 1HD PHE 53 -0.437 7.416 -3.568 355 HD2 PHE 53 2HD PHE 53 -0.214 7.593 0.721 356 HE1 PHE 53 1HE PHE 53 1.446 5.803 -3.598 357 HE2 PHE 53 2HE PHE 53 1.669 5.979 0.686 358 HZ PHE 53 HZ PHE 53 2.498 5.086 -1.472 359 H GLY 54 H GLY 54 -4.926 6.678 -0.674 360 1HA GLY 54 2HA GLY 54 -5.725 8.287 1.448 361 2HA GLY 54 1HA GLY 54 -6.481 9.016 0.030 362 H LYS 55 H LYS 55 -8.296 8.095 1.727 363 HA LYS 55 HA LYS 55 -8.906 5.266 1.113 364 1HB LYS 55 2HB LYS 55 -9.314 5.924 3.393 365 2HB LYS 55 1HB LYS 55 -10.250 7.331 2.882 366 1HG LYS 55 2HG LYS 55 -11.893 5.764 1.803 367 2HG LYS 55 1HG LYS 55 -11.002 4.419 2.515 368 1HD LYS 55 2HD LYS 55 -11.325 5.634 4.768 369 2HD LYS 55 1HD LYS 55 -12.544 6.595 3.929 370 1HE LYS 55 2HE LYS 55 -13.971 4.791 3.650 371 2HE LYS 55 1HE LYS 55 -12.656 3.614 3.666 372 1HZ LYS 55 1HZ LYS 55 -13.628 3.318 5.717 373 2HZ LYS 55 2HZ LYS 55 -13.959 4.970 5.932 374 3HZ LYS 55 3HZ LYS 55 -12.370 4.392 6.088 375 H CYS 56 H CYS 56 -10.490 4.624 -0.296 376 HA CYS 56 HA CYS 56 -11.707 6.728 -1.983 377 1HB CYS 56 2HB CYS 56 -11.116 3.833 -2.259 378 2HB CYS 56 1HB CYS 56 -12.580 4.397 -3.064 Start of MODEL 2 1 1H ALA 3 1HT ALA 3 7.236 6.839 -12.887 2 2H ALA 3 2HT ALA 3 8.655 6.177 -12.226 3 3H ALA 3 3HT ALA 3 8.053 7.656 -11.645 4 HA ALA 3 HA ALA 3 6.890 4.955 -11.291 5 1HB ALA 3 1HB ALA 3 8.730 6.234 -9.784 6 2HB ALA 3 2HB ALA 3 7.507 5.168 -9.092 7 3HB ALA 3 3HB ALA 3 7.260 6.915 -9.087 8 H VAL 4 H VAL 4 4.899 5.105 -9.828 9 HA VAL 4 HA VAL 4 3.066 7.115 -10.979 10 HB VAL 4 HB VAL 4 2.402 4.709 -10.814 11 1HG1 VAL 4 1HG1 VAL 4 3.587 4.791 -8.358 12 2HG1 VAL 4 2HG1 VAL 4 2.430 3.554 -8.851 13 3HG1 VAL 4 3HG1 VAL 4 1.888 4.944 -7.911 14 1HG2 VAL 4 1HG2 VAL 4 0.671 6.456 -10.865 15 2HG2 VAL 4 2HG2 VAL 4 0.788 6.639 -9.115 16 3HG2 VAL 4 3HG2 VAL 4 0.172 5.138 -9.805 17 H SER 5 H SER 5 4.999 6.734 -8.220 18 HA SER 5 HA SER 5 4.562 9.174 -7.036 19 1HB SER 5 2HB SER 5 2.251 8.885 -6.670 20 2HB SER 5 1HB SER 5 2.442 7.190 -6.230 21 HG SER 5 HG SER 5 3.603 9.297 -4.740 22 H VAL 6 H VAL 6 4.334 5.818 -5.816 23 HA VAL 6 HA VAL 6 6.888 6.305 -4.342 24 HB VAL 6 HB VAL 6 5.921 4.780 -2.546 25 1HG1 VAL 6 1HG1 VAL 6 4.561 7.440 -3.075 26 2HG1 VAL 6 2HG1 VAL 6 6.082 7.204 -2.214 27 3HG1 VAL 6 3HG1 VAL 6 4.574 6.603 -1.522 28 1HG2 VAL 6 1HG2 VAL 6 3.927 4.399 -4.423 29 2HG2 VAL 6 2HG2 VAL 6 3.178 5.526 -3.291 30 3HG2 VAL 6 3HG2 VAL 6 3.804 3.981 -2.714 31 H ASP 7 H ASP 7 7.944 4.149 -3.750 32 HA ASP 7 HA ASP 7 7.317 2.098 -5.839 33 1HB ASP 7 2HB ASP 7 9.474 3.521 -6.117 34 2HB ASP 7 1HB ASP 7 10.098 2.566 -4.774 35 H CYS 8 H CYS 8 7.085 0.039 -5.082 36 HA CYS 8 HA CYS 8 7.509 -0.388 -2.170 37 1HB CYS 8 2HB CYS 8 5.904 -1.903 -4.245 38 2HB CYS 8 1HB CYS 8 6.103 -2.446 -2.578 39 H SER 9 H SER 9 9.898 -0.354 -3.388 40 HA SER 9 HA SER 9 10.623 -3.079 -4.255 41 1HB SER 9 2HB SER 9 11.838 -1.510 -5.486 42 2HB SER 9 1HB SER 9 12.026 -0.427 -4.110 43 HG SER 9 HG SER 9 13.231 -2.986 -4.378 44 H GLU 10 H GLU 10 10.629 -1.141 -1.381 45 HA GLU 10 HA GLU 10 12.605 -2.865 -0.020 46 1HB GLU 10 2HB GLU 10 11.046 -0.400 0.738 47 2HB GLU 10 1HB GLU 10 11.841 -1.368 1.979 48 1HG GLU 10 2HG GLU 10 13.722 -1.053 -0.111 49 2HG GLU 10 1HG GLU 10 13.007 0.537 0.161 50 H TYR 11 H TYR 11 10.396 -4.306 -0.944 51 HA TYR 11 HA TYR 11 9.149 -5.101 1.643 52 1HB TYR 11 2HB TYR 11 7.775 -4.349 -0.920 53 2HB TYR 11 1HB TYR 11 7.047 -5.568 0.124 54 HD1 TYR 11 1HD TYR 11 5.922 -4.954 2.129 55 HD2 TYR 11 2HD TYR 11 8.363 -2.090 0.060 56 HE1 TYR 11 1HE TYR 11 5.087 -3.161 3.629 57 HE2 TYR 11 2HE TYR 11 7.536 -0.298 1.553 58 HH TYR 11 HH TYR 11 5.330 0.033 2.986 59 HA PRO 12 HA PRO 12 7.194 -6.508 1.669 60 1HB PRO 12 2HB PRO 12 7.037 -8.828 3.131 61 2HB PRO 12 1HB PRO 12 6.230 -8.596 1.571 62 1HG PRO 12 2HG PRO 12 8.681 -10.180 2.200 63 2HG PRO 12 1HG PRO 12 7.493 -10.418 0.908 64 1HD PRO 12 2HD PRO 12 10.039 -9.242 0.601 65 2HD PRO 12 1HD PRO 12 8.707 -9.151 -0.570 66 H LYS 13 H LYS 13 7.055 -6.302 4.095 67 HA LYS 13 HA LYS 13 9.798 -6.091 5.267 68 1HB LYS 13 2HB LYS 13 7.302 -4.640 6.176 69 2HB LYS 13 1HB LYS 13 8.974 -4.286 6.618 70 1HG LYS 13 2HG LYS 13 8.335 -4.281 3.714 71 2HG LYS 13 1HG LYS 13 7.683 -2.949 4.669 72 1HD LYS 13 2HD LYS 13 9.903 -2.365 3.795 73 2HD LYS 13 1HD LYS 13 9.949 -2.487 5.554 74 1HE LYS 13 2HE LYS 13 11.110 -4.515 5.518 75 2HE LYS 13 1HE LYS 13 10.580 -4.904 3.881 76 1HZ LYS 13 1HZ LYS 13 11.921 -2.638 3.465 77 2HZ LYS 13 2HZ LYS 13 12.622 -4.182 3.350 78 3HZ LYS 13 3HZ LYS 13 12.801 -3.268 4.772 79 HA PRO 14 HA PRO 14 8.620 -8.956 8.376 80 1HB PRO 14 2HB PRO 14 10.284 -8.120 10.396 81 2HB PRO 14 1HB PRO 14 10.847 -9.010 8.971 82 1HG PRO 14 2HG PRO 14 11.173 -6.122 9.627 83 2HG PRO 14 1HG PRO 14 12.171 -7.158 8.595 84 1HD PRO 14 2HD PRO 14 10.237 -5.276 7.708 85 2HD PRO 14 1HD PRO 14 11.037 -6.511 6.713 86 H ALA 15 H ALA 15 7.918 -5.649 8.645 87 HA ALA 15 HA ALA 15 5.875 -6.163 10.670 88 1HB ALA 15 1HB ALA 15 8.350 -4.570 11.302 89 2HB ALA 15 2HB ALA 15 7.533 -5.783 12.287 90 3HB ALA 15 3HB ALA 15 6.819 -4.183 12.085 91 H CYS 16 H CYS 16 4.666 -4.030 11.143 92 HA CYS 16 HA CYS 16 4.826 -2.209 8.775 93 1HB CYS 16 2HB CYS 16 2.325 -3.320 10.090 94 2HB CYS 16 1HB CYS 16 2.337 -2.087 8.831 95 H THR 17 H THR 17 3.711 -0.079 9.238 96 HA THR 17 HA THR 17 4.418 0.793 11.976 97 HB THR 17 HB THR 17 3.322 2.929 10.429 98 HG1 THR 17 1HG THR 17 4.214 2.681 8.516 99 1HG2 THR 17 1HG2 THR 17 6.223 2.244 10.971 100 2HG2 THR 17 2HG2 THR 17 5.146 2.982 12.158 101 3HG2 THR 17 3HG2 THR 17 5.548 3.845 10.674 102 H MET 18 H MET 18 2.858 1.976 13.297 103 HA MET 18 HA MET 18 0.102 0.977 12.862 104 1HB MET 18 2HB MET 18 -0.302 1.502 15.164 105 2HB MET 18 1HB MET 18 1.294 0.758 15.098 106 1HG MET 18 2HG MET 18 2.389 2.885 15.268 107 2HG MET 18 1HG MET 18 0.875 3.755 15.015 108 1HE MET 18 1HE MET 18 3.328 2.951 17.853 109 2HE MET 18 2HE MET 18 2.955 1.466 16.982 110 3HE MET 18 3HE MET 18 2.488 1.629 18.674 111 H GLU 19 H GLU 19 1.344 3.258 11.317 112 HA GLU 19 HA GLU 19 -0.190 5.596 12.250 113 1HB GLU 19 2HB GLU 19 0.963 6.830 10.597 114 2HB GLU 19 1HB GLU 19 2.151 5.637 11.118 115 1HG GLU 19 2HG GLU 19 1.146 4.176 9.186 116 2HG GLU 19 1HG GLU 19 0.548 5.719 8.574 117 H TYR 20 H TYR 20 -1.980 6.479 11.081 118 HA TYR 20 HA TYR 20 -3.488 4.467 9.550 119 1HB TYR 20 2HB TYR 20 -4.312 6.325 11.315 120 2HB TYR 20 1HB TYR 20 -4.513 7.241 9.822 121 HD1 TYR 20 1HD TYR 20 -6.425 6.925 8.502 122 HD2 TYR 20 2HD TYR 20 -5.286 3.902 11.335 123 HE1 TYR 20 1HE TYR 20 -8.517 5.680 8.017 124 HE2 TYR 20 2HE TYR 20 -7.377 2.659 10.849 125 HH TYR 20 HH TYR 20 -9.960 3.820 9.611 126 H ARG 21 H ARG 21 -3.107 4.297 7.419 127 HA ARG 21 HA ARG 21 -2.906 6.786 5.809 128 1HB ARG 21 2HB ARG 21 -0.601 6.234 6.098 129 2HB ARG 21 1HB ARG 21 -0.909 4.515 5.852 130 1HG ARG 21 2HG ARG 21 0.101 5.694 3.856 131 2HG ARG 21 1HG ARG 21 -1.416 4.861 3.527 132 1HD ARG 21 2HD ARG 21 -1.384 7.131 2.531 133 2HD ARG 21 1HD ARG 21 -2.650 6.970 3.747 134 HE ARG 21 HE ARG 21 -0.546 7.961 5.206 135 1HH1 ARG 21 1HH2 ARG 21 -2.820 9.047 2.962 136 2HH1 ARG 21 2HH2 ARG 21 -2.146 10.634 2.796 137 1HH2 ARG 21 1HH1 ARG 21 0.672 9.924 4.687 138 2HH2 ARG 21 2HH1 ARG 21 -0.169 11.131 3.775 139 HA PRO 22 HA PRO 22 -5.741 3.897 3.770 140 1HB PRO 22 2HB PRO 22 -7.259 5.891 2.640 141 2HB PRO 22 1HB PRO 22 -7.517 5.272 4.278 142 1HG PRO 22 2HG PRO 22 -6.293 7.851 3.415 143 2HG PRO 22 1HG PRO 22 -7.121 7.454 4.930 144 1HD PRO 22 2HD PRO 22 -4.319 7.640 4.579 145 2HD PRO 22 1HD PRO 22 -5.149 6.918 5.973 146 H LEU 23 H LEU 23 -4.763 3.027 1.975 147 HA LEU 23 HA LEU 23 -3.870 4.905 -0.177 148 1HB LEU 23 2HB LEU 23 -2.816 2.199 0.668 149 2HB LEU 23 1HB LEU 23 -2.338 2.989 -0.831 150 HG LEU 23 HG LEU 23 -1.978 4.078 1.969 151 1HD1 LEU 23 1HD1 LEU 23 -0.111 2.804 1.847 152 2HD1 LEU 23 2HD1 LEU 23 0.470 4.002 0.690 153 3HD1 LEU 23 3HD1 LEU 23 -0.313 2.529 0.117 154 1HD2 LEU 23 1HD2 LEU 23 -2.184 6.058 0.827 155 2HD2 LEU 23 2HD2 LEU 23 -1.824 5.313 -0.730 156 3HD2 LEU 23 3HD2 LEU 23 -0.515 5.705 0.384 157 H CYS 24 H CYS 24 -4.932 4.730 -2.093 158 HA CYS 24 HA CYS 24 -6.754 2.410 -2.486 159 1HB CYS 24 2HB CYS 24 -7.800 4.580 -2.777 160 2HB CYS 24 1HB CYS 24 -6.535 5.086 -3.896 161 H GLY 25 H GLY 25 -4.917 0.973 -3.015 162 1HA GLY 25 2HA GLY 25 -2.936 1.293 -4.903 163 2HA GLY 25 1HA GLY 25 -3.791 -0.235 -4.701 164 H SER 26 H SER 26 -2.778 0.894 -7.195 165 HA SER 26 HA SER 26 -4.655 2.161 -8.836 166 1HB SER 26 2HB SER 26 -2.733 1.809 -10.029 167 2HB SER 26 1HB SER 26 -2.427 0.253 -9.261 168 HG SER 26 HG SER 26 -3.154 -0.507 -11.084 169 H ASP 27 H ASP 27 -4.877 -0.979 -7.413 170 HA ASP 27 HA ASP 27 -6.831 -1.983 -9.362 171 1HB ASP 27 2HB ASP 27 -6.925 -3.953 -7.949 172 2HB ASP 27 1HB ASP 27 -5.237 -3.484 -8.129 173 H ASN 28 H ASN 28 -7.293 0.516 -7.657 174 HA ASN 28 HA ASN 28 -9.092 1.502 -6.524 175 1HB ASN 28 2HB ASN 28 -10.208 0.364 -8.575 176 2HB ASN 28 1HB ASN 28 -10.753 -0.850 -7.417 177 1HD2 ASN 28 1HD2 ASN 28 -12.253 1.390 -8.944 178 2HD2 ASN 28 2HD2 ASN 28 -13.112 2.200 -7.725 179 H LYS 29 H LYS 29 -7.401 -0.215 -4.988 180 HA LYS 29 HA LYS 29 -9.404 -1.398 -3.106 181 1HB LYS 29 2HB LYS 29 -7.974 -3.130 -4.099 182 2HB LYS 29 1HB LYS 29 -6.536 -2.249 -3.584 183 1HG LYS 29 2HG LYS 29 -6.711 -3.675 -1.787 184 2HG LYS 29 1HG LYS 29 -7.794 -2.406 -1.213 185 1HD LYS 29 2HD LYS 29 -9.526 -3.862 -2.707 186 2HD LYS 29 1HD LYS 29 -8.428 -5.136 -2.181 187 1HE LYS 29 2HE LYS 29 -8.723 -4.419 0.167 188 2HE LYS 29 1HE LYS 29 -9.840 -3.162 -0.365 189 1HZ LYS 29 1HZ LYS 29 -10.905 -5.263 0.415 190 2HZ LYS 29 2HZ LYS 29 -10.237 -6.043 -0.940 191 3HZ LYS 29 3HZ LYS 29 -11.356 -4.779 -1.147 192 H THR 30 H THR 30 -9.381 -0.636 -1.034 193 HA THR 30 HA THR 30 -7.532 1.568 -0.407 194 HB THR 30 HB THR 30 -9.764 0.318 1.230 195 HG1 THR 30 1HG THR 30 -10.978 1.964 0.458 196 1HG2 THR 30 1HG2 THR 30 -7.878 2.604 1.681 197 2HG2 THR 30 2HG2 THR 30 -8.472 1.404 2.828 198 3HG2 THR 30 3HG2 THR 30 -9.524 2.719 2.303 199 H TYR 31 H TYR 31 -5.974 1.485 1.284 200 HA TYR 31 HA TYR 31 -5.488 -1.216 2.451 201 1HB TYR 31 2HB TYR 31 -3.646 0.629 0.990 202 2HB TYR 31 1HB TYR 31 -3.001 -0.403 2.257 203 HD1 TYR 31 1HD TYR 31 -3.397 -0.243 -1.143 204 HD2 TYR 31 2HD TYR 31 -4.220 -2.910 2.121 205 HE1 TYR 31 1HE TYR 31 -3.426 -2.159 -2.717 206 HE2 TYR 31 2HE TYR 31 -4.247 -4.826 0.547 207 HH TYR 31 HH TYR 31 -4.530 -4.512 -2.726 208 H GLY 32 H GLY 32 -4.184 -1.127 4.437 209 1HA GLY 32 2HA GLY 32 -5.153 0.952 6.208 210 2HA GLY 32 1HA GLY 32 -4.040 -0.344 6.652 211 H ASN 33 H ASN 33 -2.191 0.392 4.406 212 HA ASN 33 HA ASN 33 -1.328 3.077 4.591 213 1HB ASN 33 2HB ASN 33 0.525 2.915 6.216 214 2HB ASN 33 1HB ASN 33 -1.034 2.662 6.988 215 1HD2 ASN 33 1HD2 ASN 33 1.026 1.611 8.407 216 2HD2 ASN 33 2HD2 ASN 33 1.121 -0.074 8.223 217 H LYS 34 H LYS 34 1.414 2.847 4.579 218 HA LYS 34 HA LYS 34 1.897 1.794 1.955 219 1HB LYS 34 2HB LYS 34 3.932 2.591 4.048 220 2HB LYS 34 1HB LYS 34 4.200 2.477 2.309 221 1HG LYS 34 2HG LYS 34 2.140 4.157 2.233 222 2HG LYS 34 1HG LYS 34 2.692 4.540 3.863 223 1HD LYS 34 2HD LYS 34 5.065 4.639 2.692 224 2HD LYS 34 1HD LYS 34 4.097 4.935 1.246 225 1HE LYS 34 2HE LYS 34 2.905 6.601 3.081 226 2HE LYS 34 1HE LYS 34 4.601 6.689 3.553 227 1HZ LYS 34 1HZ LYS 34 5.062 7.033 1.105 228 2HZ LYS 34 2HZ LYS 34 4.326 8.325 1.928 229 3HZ LYS 34 3HZ LYS 34 3.398 7.314 0.925 230 H CYS 35 H CYS 35 2.123 0.308 5.113 231 HA CYS 35 HA CYS 35 4.006 -1.740 4.195 232 1HB CYS 35 2HB CYS 35 3.813 -1.005 6.597 233 2HB CYS 35 1HB CYS 35 2.233 -1.788 6.646 234 H ASN 36 H ASN 36 0.518 -1.421 4.673 235 HA ASN 36 HA ASN 36 0.007 -4.185 3.842 236 1HB ASN 36 2HB ASN 36 -1.399 -2.202 5.257 237 2HB ASN 36 1HB ASN 36 -2.276 -2.398 3.743 238 1HD2 ASN 36 1HD2 ASN 36 -0.611 -4.618 6.065 239 2HD2 ASN 36 2HD2 ASN 36 -1.875 -5.751 6.110 240 H PHE 37 H PHE 37 0.530 -1.138 2.387 241 HA PHE 37 HA PHE 37 -0.982 -1.708 -0.067 242 1HB PHE 37 2HB PHE 37 -0.821 0.607 0.636 243 2HB PHE 37 1HB PHE 37 0.934 0.501 0.731 244 HD1 PHE 37 1HD PHE 37 1.635 2.075 -0.890 245 HD2 PHE 37 2HD PHE 37 -1.277 -0.909 -1.923 246 HE1 PHE 37 1HE PHE 37 1.824 2.717 -3.275 247 HE2 PHE 37 2HE PHE 37 -1.088 -0.264 -4.311 248 HZ PHE 37 HZ PHE 37 0.464 1.549 -4.983 249 H CYS 38 H CYS 38 2.441 -1.484 0.914 250 HA CYS 38 HA CYS 38 3.388 -2.315 -1.707 251 1HB CYS 38 2HB CYS 38 4.709 -1.972 0.986 252 2HB CYS 38 1HB CYS 38 5.586 -2.612 -0.405 253 H ASN 39 H ASN 39 2.523 -3.920 1.291 254 HA ASN 39 HA ASN 39 3.767 -6.447 0.593 255 1HB ASN 39 2HB ASN 39 1.761 -5.541 2.638 256 2HB ASN 39 1HB ASN 39 1.932 -7.267 2.318 257 1HD2 ASN 39 1HD2 ASN 39 3.870 -8.321 3.025 258 2HD2 ASN 39 2HD2 ASN 39 5.060 -7.533 3.943 259 H ALA 40 H ALA 40 0.499 -5.092 0.324 260 HA ALA 40 HA ALA 40 -0.717 -7.384 -0.873 261 1HB ALA 40 1HB ALA 40 -2.511 -6.004 -0.898 262 2HB ALA 40 2HB ALA 40 -1.711 -4.940 -2.053 263 3HB ALA 40 3HB ALA 40 -1.470 -4.701 -0.323 264 H VAL 41 H VAL 41 1.331 -4.812 -2.047 265 HA VAL 41 HA VAL 41 1.059 -5.375 -4.863 266 HB VAL 41 HB VAL 41 3.198 -3.992 -3.228 267 1HG1 VAL 41 1HG1 VAL 41 4.595 -4.181 -4.982 268 2HG1 VAL 41 2HG1 VAL 41 3.424 -3.299 -5.963 269 3HG1 VAL 41 3HG1 VAL 41 3.372 -5.060 -5.900 270 1HG2 VAL 41 1HG2 VAL 41 2.039 -2.084 -3.665 271 2HG2 VAL 41 2HG2 VAL 41 0.692 -3.170 -4.005 272 3HG2 VAL 41 3HG2 VAL 41 1.695 -2.568 -5.325 273 H VAL 42 H VAL 42 3.111 -6.599 -2.261 274 HA VAL 42 HA VAL 42 4.767 -8.176 -4.101 275 HB VAL 42 HB VAL 42 4.491 -8.231 -1.082 276 1HG1 VAL 42 1HG1 VAL 42 6.141 -9.816 -3.022 277 2HG1 VAL 42 2HG1 VAL 42 5.357 -10.342 -1.533 278 3HG1 VAL 42 3HG1 VAL 42 6.837 -9.389 -1.459 279 1HG2 VAL 42 1HG2 VAL 42 6.842 -7.254 -2.693 280 2HG2 VAL 42 2HG2 VAL 42 6.408 -6.868 -1.030 281 3HG2 VAL 42 3HG2 VAL 42 5.478 -6.186 -2.362 282 H GLU 43 H GLU 43 1.704 -8.510 -2.629 283 HA GLU 43 HA GLU 43 1.728 -11.442 -2.555 284 1HB GLU 43 2HB GLU 43 -0.454 -9.372 -2.196 285 2HB GLU 43 1HB GLU 43 -0.757 -11.109 -2.128 286 1HG GLU 43 2HG GLU 43 1.141 -11.179 -0.376 287 2HG GLU 43 1HG GLU 43 0.938 -9.430 -0.280 288 H SER 44 H SER 44 1.021 -8.938 -4.843 289 HA SER 44 HA SER 44 -0.386 -10.867 -6.620 290 1HB SER 44 2HB SER 44 -0.010 -7.865 -6.745 291 2HB SER 44 1HB SER 44 -0.736 -8.798 -8.051 292 HG SER 44 HG SER 44 -2.170 -7.856 -6.364 293 H ASN 45 H ASN 45 2.575 -10.846 -5.991 294 HA ASN 45 HA ASN 45 4.485 -11.405 -7.252 295 1HB ASN 45 2HB ASN 45 2.522 -12.141 -8.915 296 2HB ASN 45 1HB ASN 45 3.141 -10.773 -9.842 297 1HD2 ASN 45 1HD2 ASN 45 5.912 -11.353 -8.534 298 2HD2 ASN 45 2HD2 ASN 45 6.520 -12.639 -9.462 299 H GLY 46 H GLY 46 3.095 -8.490 -6.934 300 1HA GLY 46 2HA GLY 46 4.307 -6.414 -6.939 301 2HA GLY 46 1HA GLY 46 5.460 -7.119 -8.074 302 H THR 47 H THR 47 2.016 -7.439 -8.570 303 HA THR 47 HA THR 47 2.285 -5.708 -10.985 304 HB THR 47 HB THR 47 0.163 -6.902 -11.697 305 HG1 THR 47 1HG THR 47 0.222 -9.033 -10.336 306 1HG2 THR 47 1HG2 THR 47 2.790 -8.269 -11.217 307 2HG2 THR 47 2HG2 THR 47 2.061 -7.755 -12.740 308 3HG2 THR 47 3HG2 THR 47 1.451 -9.185 -11.906 309 H LEU 48 H LEU 48 1.779 -4.793 -8.166 310 HA LEU 48 HA LEU 48 -0.884 -3.509 -8.642 311 1HB LEU 48 2HB LEU 48 -0.115 -5.099 -6.482 312 2HB LEU 48 1HB LEU 48 0.037 -3.450 -5.875 313 HG LEU 48 HG LEU 48 -2.288 -3.044 -6.910 314 1HD1 LEU 48 1HD1 LEU 48 -1.891 -5.946 -7.348 315 2HD1 LEU 48 2HD1 LEU 48 -2.919 -4.807 -8.216 316 3HD1 LEU 48 3HD1 LEU 48 -3.459 -5.491 -6.684 317 1HD2 LEU 48 1HD2 LEU 48 -2.634 -5.055 -4.764 318 2HD2 LEU 48 2HD2 LEU 48 -3.157 -3.373 -4.823 319 3HD2 LEU 48 3HD2 LEU 48 -1.488 -3.762 -4.404 320 H THR 49 H THR 49 -1.010 -1.272 -8.288 321 HA THR 49 HA THR 49 1.529 0.111 -7.543 322 HB THR 49 HB THR 49 1.270 1.692 -9.332 323 HG1 THR 49 1HG THR 49 -0.622 0.989 -10.825 324 1HG2 THR 49 1HG2 THR 49 0.652 -1.003 -10.552 325 2HG2 THR 49 2HG2 THR 49 2.225 -0.606 -9.860 326 3HG2 THR 49 3HG2 THR 49 1.617 0.300 -11.245 327 H LEU 50 H LEU 50 0.219 2.680 -8.097 328 HA LEU 50 HA LEU 50 -1.640 2.738 -5.756 329 1HB LEU 50 2HB LEU 50 0.465 3.922 -5.303 330 2HB LEU 50 1HB LEU 50 0.252 4.886 -6.764 331 HG LEU 50 HG LEU 50 -2.151 5.126 -5.288 332 1HD1 LEU 50 1HD1 LEU 50 -0.707 4.303 -3.362 333 2HD1 LEU 50 2HD1 LEU 50 -1.447 5.885 -3.123 334 3HD1 LEU 50 3HD1 LEU 50 0.255 5.767 -3.569 335 1HD2 LEU 50 1HD2 LEU 50 0.169 7.059 -5.545 336 2HD2 LEU 50 2HD2 LEU 50 -1.515 7.483 -5.238 337 3HD2 LEU 50 3HD2 LEU 50 -1.047 6.792 -6.792 338 H SER 51 H SER 51 -3.502 4.067 -5.946 339 HA SER 51 HA SER 51 -4.065 5.023 -8.724 340 1HB SER 51 2HB SER 51 -5.439 3.051 -7.298 341 2HB SER 51 1HB SER 51 -6.434 4.490 -7.105 342 HG SER 51 HG SER 51 -6.856 3.230 -9.036 343 H HIS 52 H HIS 52 -4.297 5.616 -5.267 344 HA HIS 52 HA HIS 52 -4.179 8.417 -5.523 345 1HB HIS 52 2HB HIS 52 -6.268 8.996 -6.158 346 2HB HIS 52 1HB HIS 52 -6.809 7.326 -6.051 347 HD1 HIS 52 1HD HIS 52 -8.708 7.077 -4.470 348 HD2 HIS 52 2HD HIS 52 -6.101 10.090 -3.242 349 HE1 HIS 52 1HE HIS 52 -9.657 8.012 -2.315 350 H PHE 53 H PHE 53 -2.975 8.518 -3.690 351 HA PHE 53 HA PHE 53 -3.053 6.982 -1.394 352 1HB PHE 53 2HB PHE 53 -2.513 9.943 -1.704 353 2HB PHE 53 1HB PHE 53 -2.219 9.063 -0.210 354 HD1 PHE 53 1HD PHE 53 -1.277 9.313 -3.788 355 HD2 PHE 53 2HD PHE 53 -0.342 7.593 0.034 356 HE1 PHE 53 1HE PHE 53 0.904 8.536 -4.671 357 HE2 PHE 53 2HE PHE 53 1.841 6.814 -0.850 358 HZ PHE 53 HZ PHE 53 2.464 7.284 -3.204 359 H GLY 54 H GLY 54 -5.174 6.413 -0.762 360 1HA GLY 54 2HA GLY 54 -6.507 7.533 1.269 361 2HA GLY 54 1HA GLY 54 -7.065 8.575 -0.045 362 H LYS 55 H LYS 55 -8.589 6.577 1.592 363 HA LYS 55 HA LYS 55 -9.138 4.209 0.173 364 1HB LYS 55 2HB LYS 55 -11.186 4.097 1.392 365 2HB LYS 55 1HB LYS 55 -10.051 4.930 2.450 366 1HG LYS 55 2HG LYS 55 -10.991 7.073 1.914 367 2HG LYS 55 1HG LYS 55 -11.961 6.390 0.610 368 1HD LYS 55 2HD LYS 55 -13.376 6.744 2.567 369 2HD LYS 55 1HD LYS 55 -13.191 5.015 2.280 370 1HE LYS 55 2HE LYS 55 -11.048 5.547 3.918 371 2HE LYS 55 1HE LYS 55 -12.273 6.646 4.552 372 1HZ LYS 55 1HZ LYS 55 -13.151 3.943 3.933 373 2HZ LYS 55 2HZ LYS 55 -13.579 4.957 5.227 374 3HZ LYS 55 3HZ LYS 55 -12.110 4.104 5.262 375 H CYS 56 H CYS 56 -10.288 3.755 -1.673 376 HA CYS 56 HA CYS 56 -11.067 6.040 -3.353 377 1HB CYS 56 2HB CYS 56 -10.589 3.136 -3.744 378 2HB CYS 56 1HB CYS 56 -11.786 3.872 -4.809 Start of MODEL 3 1 1H ALA 3 1HT ALA 3 -1.979 0.817 -1.892 2 2H ALA 3 2HT ALA 3 -2.027 2.229 -0.956 3 3H ALA 3 3HT ALA 3 -0.546 1.645 -1.530 4 HA ALA 3 HA ALA 3 -1.567 1.941 -3.852 5 1HB ALA 3 1HB ALA 3 -3.096 4.151 -2.577 6 2HB ALA 3 2HB ALA 3 -3.790 2.535 -2.451 7 3HB ALA 3 3HB ALA 3 -3.459 3.233 -4.038 8 H VAL 4 H VAL 4 0.835 2.466 -3.305 9 HA VAL 4 HA VAL 4 1.141 5.387 -3.578 10 HB VAL 4 HB VAL 4 2.390 3.821 -1.307 11 1HG1 VAL 4 1HG1 VAL 4 2.749 6.759 -1.562 12 2HG1 VAL 4 2HG1 VAL 4 3.679 5.767 -2.682 13 3HG1 VAL 4 3HG1 VAL 4 3.862 5.542 -0.944 14 1HG2 VAL 4 1HG2 VAL 4 0.248 4.432 -0.612 15 2HG2 VAL 4 2HG2 VAL 4 0.243 5.899 -1.589 16 3HG2 VAL 4 3HG2 VAL 4 1.193 5.832 -0.107 17 H SER 5 H SER 5 2.938 5.920 -4.802 18 HA SER 5 HA SER 5 4.436 3.665 -5.976 19 1HB SER 5 2HB SER 5 5.538 5.920 -7.069 20 2HB SER 5 1HB SER 5 4.132 5.091 -7.728 21 HG SER 5 HG SER 5 2.813 6.505 -6.601 22 H VAL 6 H VAL 6 5.102 3.714 -3.380 23 HA VAL 6 HA VAL 6 7.620 5.289 -3.179 24 HB VAL 6 HB VAL 6 5.525 4.648 -1.322 25 1HG1 VAL 6 1HG1 VAL 6 6.767 3.795 0.574 26 2HG1 VAL 6 2HG1 VAL 6 8.269 3.796 -0.349 27 3HG1 VAL 6 3HG1 VAL 6 6.980 2.667 -0.764 28 1HG2 VAL 6 1HG2 VAL 6 7.960 6.015 -0.359 29 2HG2 VAL 6 2HG2 VAL 6 6.285 6.567 -0.368 30 3HG2 VAL 6 3HG2 VAL 6 7.261 6.688 -1.832 31 H ASP 7 H ASP 7 9.375 3.999 -1.885 32 HA ASP 7 HA ASP 7 10.076 1.713 -3.492 33 1HB ASP 7 2HB ASP 7 11.604 3.400 -2.201 34 2HB ASP 7 1HB ASP 7 11.366 2.301 -0.840 35 H CYS 8 H CYS 8 8.300 0.231 -3.169 36 HA CYS 8 HA CYS 8 7.913 -0.886 -0.456 37 1HB CYS 8 2HB CYS 8 6.566 -1.192 -3.118 38 2HB CYS 8 1HB CYS 8 6.380 -2.475 -1.924 39 H SER 9 H SER 9 10.519 -1.193 -1.835 40 HA SER 9 HA SER 9 10.591 -4.029 -2.636 41 1HB SER 9 2HB SER 9 12.718 -1.885 -2.453 42 2HB SER 9 1HB SER 9 13.060 -3.547 -2.923 43 HG SER 9 HG SER 9 11.246 -3.130 -4.496 44 H GLU 10 H GLU 10 10.726 -2.332 0.269 45 HA GLU 10 HA GLU 10 12.632 -4.195 1.555 46 1HB GLU 10 2HB GLU 10 10.950 -2.082 2.919 47 2HB GLU 10 1HB GLU 10 12.464 -2.796 3.481 48 1HG GLU 10 2HG GLU 10 13.152 -1.787 1.000 49 2HG GLU 10 1HG GLU 10 12.030 -0.574 1.614 50 H TYR 11 H TYR 11 10.194 -5.268 0.422 51 HA TYR 11 HA TYR 11 8.895 -6.286 2.918 52 1HB TYR 11 2HB TYR 11 7.708 -5.351 0.313 53 2HB TYR 11 1HB TYR 11 6.847 -6.536 1.287 54 HD1 TYR 11 1HD TYR 11 5.462 -5.784 3.054 55 HD2 TYR 11 2HD TYR 11 8.614 -3.256 1.581 56 HE1 TYR 11 1HE TYR 11 4.702 -3.944 4.548 57 HE2 TYR 11 2HE TYR 11 7.851 -1.430 3.074 58 HH TYR 11 HH TYR 11 5.971 -0.723 4.294 59 HA PRO 12 HA PRO 12 6.840 -7.604 2.618 60 1HB PRO 12 2HB PRO 12 6.271 -10.076 3.645 61 2HB PRO 12 1HB PRO 12 5.743 -9.545 2.038 62 1HG PRO 12 2HG PRO 12 7.898 -11.470 2.759 63 2HG PRO 12 1HG PRO 12 6.950 -11.355 1.268 64 1HD PRO 12 2HD PRO 12 9.612 -10.427 1.645 65 2HD PRO 12 1HD PRO 12 8.564 -10.090 0.251 66 H LYS 13 H LYS 13 6.353 -7.700 4.971 67 HA LYS 13 HA LYS 13 8.800 -8.257 6.604 68 1HB LYS 13 2HB LYS 13 6.785 -6.007 6.850 69 2HB LYS 13 1HB LYS 13 7.971 -6.389 8.097 70 1HG LYS 13 2HG LYS 13 9.767 -6.148 6.337 71 2HG LYS 13 1HG LYS 13 8.526 -5.532 5.247 72 1HD LYS 13 2HD LYS 13 8.619 -3.497 6.199 73 2HD LYS 13 1HD LYS 13 8.363 -4.187 7.800 74 1HE LYS 13 2HE LYS 13 10.549 -4.006 8.324 75 2HE LYS 13 1HE LYS 13 11.041 -4.754 6.805 76 1HZ LYS 13 1HZ LYS 13 11.609 -2.775 6.042 77 2HZ LYS 13 2HZ LYS 13 11.160 -2.059 7.517 78 3HZ LYS 13 3HZ LYS 13 10.027 -2.202 6.261 79 HA PRO 14 HA PRO 14 6.192 -10.838 9.010 80 1HB PRO 14 2HB PRO 14 7.641 -10.822 11.347 81 2HB PRO 14 1HB PRO 14 8.121 -11.727 9.901 82 1HG PRO 14 2HG PRO 14 9.259 -9.198 10.995 83 2HG PRO 14 1HG PRO 14 10.036 -10.437 10.000 84 1HD PRO 14 2HD PRO 14 9.070 -7.942 9.080 85 2HD PRO 14 1HD PRO 14 9.533 -9.320 8.060 86 H ALA 15 H ALA 15 6.267 -7.576 9.424 87 HA ALA 15 HA ALA 15 3.975 -7.577 11.198 88 1HB ALA 15 1HB ALA 15 6.134 -5.968 12.424 89 2HB ALA 15 2HB ALA 15 6.332 -7.715 12.567 90 3HB ALA 15 3HB ALA 15 4.877 -6.937 13.191 91 H CYS 16 H CYS 16 2.762 -5.941 10.389 92 HA CYS 16 HA CYS 16 4.056 -3.818 8.820 93 1HB CYS 16 2HB CYS 16 1.339 -4.909 9.115 94 2HB CYS 16 1HB CYS 16 1.380 -3.155 8.971 95 H THR 17 H THR 17 2.759 -1.554 9.264 96 HA THR 17 HA THR 17 3.418 -0.924 12.093 97 HB THR 17 HB THR 17 2.729 1.444 10.759 98 HG1 THR 17 1HG THR 17 3.321 1.218 8.762 99 1HG2 THR 17 1HG2 THR 17 5.569 0.576 10.727 100 2HG2 THR 17 2HG2 THR 17 4.759 0.551 12.294 101 3HG2 THR 17 3HG2 THR 17 4.848 2.051 11.371 102 H MET 18 H MET 18 1.893 0.529 13.269 103 HA MET 18 HA MET 18 -0.885 -0.347 12.816 104 1HB MET 18 2HB MET 18 -1.256 1.049 14.948 105 2HB MET 18 1HB MET 18 -0.240 -0.384 15.107 106 1HG MET 18 2HG MET 18 1.720 0.855 15.282 107 2HG MET 18 1HG MET 18 1.045 2.235 14.415 108 1HE MET 18 1HE MET 18 1.923 3.856 17.623 109 2HE MET 18 2HE MET 18 2.590 3.055 16.202 110 3HE MET 18 3HE MET 18 2.564 2.211 17.748 111 H GLU 19 H GLU 19 0.706 1.741 11.145 112 HA GLU 19 HA GLU 19 -0.379 4.316 11.495 113 1HB GLU 19 2HB GLU 19 0.916 2.829 9.329 114 2HB GLU 19 1HB GLU 19 -0.246 4.019 8.740 115 1HG GLU 19 2HG GLU 19 1.963 4.596 10.737 116 2HG GLU 19 1HG GLU 19 2.024 4.994 9.020 117 H TYR 20 H TYR 20 -1.997 5.296 9.835 118 HA TYR 20 HA TYR 20 -4.244 3.430 9.276 119 1HB TYR 20 2HB TYR 20 -4.640 4.501 11.490 120 2HB TYR 20 1HB TYR 20 -4.538 6.076 10.710 121 HD1 TYR 20 1HD TYR 20 -6.842 6.637 11.415 122 HD2 TYR 20 2HD TYR 20 -6.026 3.248 8.901 123 HE1 TYR 20 1HE TYR 20 -9.243 6.503 10.814 124 HE2 TYR 20 2HE TYR 20 -8.426 3.117 8.299 125 HH TYR 20 HH TYR 20 -10.426 5.067 8.290 126 H ARG 21 H ARG 21 -2.343 4.658 7.546 127 HA ARG 21 HA ARG 21 -3.571 6.990 6.297 128 1HB ARG 21 2HB ARG 21 -1.425 5.179 5.165 129 2HB ARG 21 1HB ARG 21 -1.785 6.833 4.675 130 1HG ARG 21 2HG ARG 21 -0.730 7.745 6.490 131 2HG ARG 21 1HG ARG 21 -1.201 6.421 7.558 132 1HD ARG 21 2HD ARG 21 1.090 6.040 7.343 133 2HD ARG 21 1HD ARG 21 0.445 5.013 6.063 134 HE ARG 21 HE ARG 21 1.033 6.844 4.462 135 1HH1 ARG 21 1HH2 ARG 21 3.418 5.747 6.221 136 2HH1 ARG 21 2HH2 ARG 21 4.300 7.223 6.436 137 1HH2 ARG 21 1HH1 ARG 21 1.706 9.247 5.344 138 2HH2 ARG 21 2HH1 ARG 21 3.333 9.204 5.942 139 HA PRO 22 HA PRO 22 -6.309 4.393 3.889 140 1HB PRO 22 2HB PRO 22 -7.692 6.489 2.774 141 2HB PRO 22 1HB PRO 22 -7.998 5.880 4.409 142 1HG PRO 22 2HG PRO 22 -6.605 8.377 3.569 143 2HG PRO 22 1HG PRO 22 -7.471 8.028 5.074 144 1HD PRO 22 2HD PRO 22 -4.660 8.030 4.739 145 2HD PRO 22 1HD PRO 22 -5.547 7.371 6.129 146 H LEU 23 H LEU 23 -5.412 3.506 2.037 147 HA LEU 23 HA LEU 23 -4.538 5.418 -0.089 148 1HB LEU 23 2HB LEU 23 -3.267 2.739 0.531 149 2HB LEU 23 1HB LEU 23 -2.733 3.909 -0.675 150 HG LEU 23 HG LEU 23 -2.846 4.437 2.305 151 1HD1 LEU 23 1HD1 LEU 23 -0.214 4.581 1.510 152 2HD1 LEU 23 2HD1 LEU 23 -0.818 3.226 0.557 153 3HD1 LEU 23 3HD1 LEU 23 -0.950 3.195 2.313 154 1HD2 LEU 23 1HD2 LEU 23 -2.345 6.597 1.821 155 2HD2 LEU 23 2HD2 LEU 23 -2.873 6.228 0.179 156 3HD2 LEU 23 3HD2 LEU 23 -1.163 6.125 0.600 157 H CYS 24 H CYS 24 -5.584 5.119 -1.988 158 HA CYS 24 HA CYS 24 -7.233 2.672 -2.326 159 1HB CYS 24 2HB CYS 24 -8.220 4.951 -2.727 160 2HB CYS 24 1HB CYS 24 -7.096 5.149 -4.071 161 H GLY 25 H GLY 25 -5.600 1.145 -2.898 162 1HA GLY 25 2HA GLY 25 -3.459 1.494 -4.669 163 2HA GLY 25 1HA GLY 25 -4.297 -0.040 -4.452 164 H SER 26 H SER 26 -3.213 1.181 -6.950 165 HA SER 26 HA SER 26 -5.181 2.282 -8.631 166 1HB SER 26 2HB SER 26 -3.073 2.133 -9.618 167 2HB SER 26 1HB SER 26 -2.846 0.461 -9.112 168 HG SER 26 HG SER 26 -3.896 -0.196 -10.824 169 H ASP 27 H ASP 27 -5.138 -0.870 -7.228 170 HA ASP 27 HA ASP 27 -6.889 -2.054 -9.268 171 1HB ASP 27 2HB ASP 27 -6.827 -4.040 -7.898 172 2HB ASP 27 1HB ASP 27 -5.192 -3.378 -7.951 173 H ASN 28 H ASN 28 -7.670 0.369 -7.550 174 HA ASN 28 HA ASN 28 -9.635 1.166 -6.559 175 1HB ASN 28 2HB ASN 28 -10.399 -0.655 -8.530 176 2HB ASN 28 1HB ASN 28 -11.299 -1.169 -7.103 177 1HD2 ASN 28 1HD2 ASN 28 -11.072 1.285 -9.563 178 2HD2 ASN 28 2HD2 ASN 28 -12.332 2.265 -8.988 179 H LYS 29 H LYS 29 -7.805 -0.363 -4.917 180 HA LYS 29 HA LYS 29 -9.769 -1.646 -3.052 181 1HB LYS 29 2HB LYS 29 -7.029 -2.438 -3.898 182 2HB LYS 29 1HB LYS 29 -7.435 -2.682 -2.199 183 1HG LYS 29 2HG LYS 29 -9.653 -3.710 -3.191 184 2HG LYS 29 1HG LYS 29 -8.664 -3.926 -4.635 185 1HD LYS 29 2HD LYS 29 -6.976 -4.812 -2.651 186 2HD LYS 29 1HD LYS 29 -8.551 -5.342 -2.058 187 1HE LYS 29 2HE LYS 29 -7.867 -5.798 -4.942 188 2HE LYS 29 1HE LYS 29 -7.176 -6.869 -3.722 189 1HZ LYS 29 1HZ LYS 29 -9.613 -6.949 -2.877 190 2HZ LYS 29 2HZ LYS 29 -9.143 -7.912 -4.197 191 3HZ LYS 29 3HZ LYS 29 -9.991 -6.464 -4.458 192 H THR 30 H THR 30 -9.462 -1.228 -0.789 193 HA THR 30 HA THR 30 -8.092 1.361 -0.280 194 HB THR 30 HB THR 30 -10.040 -0.198 1.443 195 HG1 THR 30 1HG THR 30 -11.558 0.933 0.499 196 1HG2 THR 30 1HG2 THR 30 -10.028 2.530 2.106 197 2HG2 THR 30 2HG2 THR 30 -8.330 2.084 1.947 198 3HG2 THR 30 3HG2 THR 30 -9.370 1.205 3.066 199 H TYR 31 H TYR 31 -6.445 1.539 1.282 200 HA TYR 31 HA TYR 31 -5.545 -1.015 2.532 201 1HB TYR 31 2HB TYR 31 -4.016 1.067 1.000 202 2HB TYR 31 1HB TYR 31 -3.212 0.093 2.225 203 HD1 TYR 31 1HD TYR 31 -3.575 0.241 -1.136 204 HD2 TYR 31 2HD TYR 31 -4.306 -2.517 2.072 205 HE1 TYR 31 1HE TYR 31 -3.447 -1.649 -2.735 206 HE2 TYR 31 2HE TYR 31 -4.178 -4.411 0.474 207 HH TYR 31 HH TYR 31 -4.381 -4.860 -1.858 208 H GLY 32 H GLY 32 -4.033 -0.569 4.413 209 1HA GLY 32 2HA GLY 32 -5.200 1.624 6.036 210 2HA GLY 32 1HA GLY 32 -4.291 0.251 6.670 211 H ASN 33 H ASN 33 -2.350 0.835 4.287 212 HA ASN 33 HA ASN 33 -1.145 3.350 4.607 213 1HB ASN 33 2HB ASN 33 0.794 2.601 6.150 214 2HB ASN 33 1HB ASN 33 -0.740 3.026 6.907 215 1HD2 ASN 33 1HD2 ASN 33 -1.548 1.480 8.334 216 2HD2 ASN 33 2HD2 ASN 33 -1.127 -0.164 8.329 217 H LYS 34 H LYS 34 1.277 3.241 4.015 218 HA LYS 34 HA LYS 34 1.572 1.824 1.598 219 1HB LYS 34 2HB LYS 34 3.605 2.879 1.412 220 2HB LYS 34 1HB LYS 34 2.909 3.867 2.690 221 1HG LYS 34 2HG LYS 34 4.703 1.462 3.153 222 2HG LYS 34 1HG LYS 34 5.239 3.142 3.203 223 1HD LYS 34 2HD LYS 34 2.892 2.803 4.854 224 2HD LYS 34 1HD LYS 34 4.138 1.648 5.327 225 1HE LYS 34 2HE LYS 34 4.441 4.654 5.094 226 2HE LYS 34 1HE LYS 34 4.499 3.698 6.574 227 1HZ LYS 34 1HZ LYS 34 6.701 3.804 6.168 228 2HZ LYS 34 2HZ LYS 34 6.509 4.038 4.496 229 3HZ LYS 34 3HZ LYS 34 6.373 2.480 5.162 230 H CYS 35 H CYS 35 1.874 0.630 4.803 231 HA CYS 35 HA CYS 35 3.819 -1.443 4.162 232 1HB CYS 35 2HB CYS 35 3.374 -0.558 6.484 233 2HB CYS 35 1HB CYS 35 1.829 -1.400 6.442 234 H ASN 36 H ASN 36 0.280 -1.255 4.485 235 HA ASN 36 HA ASN 36 -0.186 -4.019 3.790 236 1HB ASN 36 2HB ASN 36 -1.740 -1.904 4.689 237 2HB ASN 36 1HB ASN 36 -2.278 -2.106 3.023 238 1HD2 ASN 36 1HD2 ASN 36 -2.109 -3.681 6.181 239 2HD2 ASN 36 2HD2 ASN 36 -3.123 -4.983 5.787 240 H PHE 37 H PHE 37 0.753 -1.233 2.060 241 HA PHE 37 HA PHE 37 -0.304 -2.068 -0.539 242 1HB PHE 37 2HB PHE 37 0.003 0.332 0.051 243 2HB PHE 37 1HB PHE 37 1.741 0.057 0.174 244 HD1 PHE 37 1HD PHE 37 3.017 0.598 -1.687 245 HD2 PHE 37 2HD PHE 37 -1.034 -0.711 -2.237 246 HE1 PHE 37 1HE PHE 37 3.248 0.907 -4.136 247 HE2 PHE 37 2HE PHE 37 -0.812 -0.386 -4.683 248 HZ PHE 37 HZ PHE 37 1.336 0.417 -5.630 249 H CYS 38 H CYS 38 2.923 -1.863 0.986 250 HA CYS 38 HA CYS 38 4.355 -2.970 -1.230 251 1HB CYS 38 2HB CYS 38 5.085 -3.166 1.704 252 2HB CYS 38 1HB CYS 38 6.187 -3.275 0.335 253 H ASN 39 H ASN 39 2.673 -4.373 1.522 254 HA ASN 39 HA ASN 39 3.609 -7.082 0.986 255 1HB ASN 39 2HB ASN 39 1.587 -5.830 2.806 256 2HB ASN 39 1HB ASN 39 1.430 -7.552 2.458 257 1HD2 ASN 39 1HD2 ASN 39 3.670 -8.787 2.680 258 2HD2 ASN 39 2HD2 ASN 39 4.615 -8.352 4.022 259 H ALA 40 H ALA 40 0.651 -5.237 0.324 260 HA ALA 40 HA ALA 40 -0.768 -7.316 -1.018 261 1HB ALA 40 1HB ALA 40 -1.928 -5.263 -0.444 262 2HB ALA 40 2HB ALA 40 -1.929 -5.403 -2.203 263 3HB ALA 40 3HB ALA 40 -0.801 -4.305 -1.407 264 H VAL 41 H VAL 41 1.989 -5.430 -1.832 265 HA VAL 41 HA VAL 41 1.839 -5.893 -4.718 266 HB VAL 41 HB VAL 41 3.896 -4.727 -2.843 267 1HG1 VAL 41 1HG1 VAL 41 5.562 -5.275 -4.253 268 2HG1 VAL 41 2HG1 VAL 41 4.760 -4.321 -5.502 269 3HG1 VAL 41 3HG1 VAL 41 4.429 -6.047 -5.361 270 1HG2 VAL 41 1HG2 VAL 41 2.522 -2.983 -3.390 271 2HG2 VAL 41 2HG2 VAL 41 1.941 -3.771 -4.857 272 3HG2 VAL 41 3HG2 VAL 41 3.500 -2.948 -4.857 273 H VAL 42 H VAL 42 3.406 -7.339 -1.899 274 HA VAL 42 HA VAL 42 5.121 -9.114 -3.380 275 HB VAL 42 HB VAL 42 3.921 -9.567 -0.629 276 1HG1 VAL 42 1HG1 VAL 42 5.592 -11.152 -2.253 277 2HG1 VAL 42 2HG1 VAL 42 5.267 -11.372 -0.534 278 3HG1 VAL 42 3HG1 VAL 42 6.658 -10.419 -1.053 279 1HG2 VAL 42 1HG2 VAL 42 5.289 -7.341 -1.300 280 2HG2 VAL 42 2HG2 VAL 42 6.647 -8.421 -0.989 281 3HG2 VAL 42 3HG2 VAL 42 5.458 -8.114 0.277 282 H GLU 43 H GLU 43 1.749 -9.138 -2.552 283 HA GLU 43 HA GLU 43 1.483 -11.947 -3.510 284 1HB GLU 43 2HB GLU 43 -0.633 -10.147 -2.291 285 2HB GLU 43 1HB GLU 43 -0.758 -11.884 -2.576 286 1HG GLU 43 2HG GLU 43 1.472 -11.890 -1.091 287 2HG GLU 43 1HG GLU 43 0.740 -10.414 -0.458 288 H SER 44 H SER 44 1.327 -8.774 -4.626 289 HA SER 44 HA SER 44 -0.742 -9.380 -6.669 290 1HB SER 44 2HB SER 44 0.515 -6.892 -5.592 291 2HB SER 44 1HB SER 44 -0.063 -6.866 -7.256 292 HG SER 44 HG SER 44 -2.070 -7.744 -6.361 293 H ASN 45 H ASN 45 2.479 -9.912 -6.327 294 HA ASN 45 HA ASN 45 4.058 -10.568 -7.952 295 1HB ASN 45 2HB ASN 45 1.829 -10.994 -9.295 296 2HB ASN 45 1HB ASN 45 2.308 -9.532 -10.158 297 1HD2 ASN 45 1HD2 ASN 45 2.383 -12.632 -10.789 298 2HD2 ASN 45 2HD2 ASN 45 3.936 -12.834 -11.443 299 H GLY 46 H GLY 46 3.218 -7.602 -7.069 300 1HA GLY 46 2HA GLY 46 4.508 -5.617 -7.173 301 2HA GLY 46 1HA GLY 46 5.530 -6.383 -8.389 302 H THR 47 H THR 47 2.078 -6.416 -8.829 303 HA THR 47 HA THR 47 2.431 -4.472 -11.070 304 HB THR 47 HB THR 47 -0.053 -5.772 -11.341 305 HG1 THR 47 1HG THR 47 0.405 -7.886 -11.050 306 1HG2 THR 47 1HG2 THR 47 2.641 -6.201 -12.656 307 2HG2 THR 47 2HG2 THR 47 1.345 -5.138 -13.205 308 3HG2 THR 47 3HG2 THR 47 1.136 -6.890 -13.262 309 H LEU 48 H LEU 48 0.929 -4.954 -8.028 310 HA LEU 48 HA LEU 48 -1.353 -3.213 -8.420 311 1HB LEU 48 2HB LEU 48 -1.446 -4.766 -6.593 312 2HB LEU 48 1HB LEU 48 0.100 -4.206 -5.955 313 HG LEU 48 HG LEU 48 -0.841 -2.078 -5.350 314 1HD1 LEU 48 1HD1 LEU 48 -2.908 -2.906 -7.267 315 2HD1 LEU 48 2HD1 LEU 48 -2.408 -1.283 -6.783 316 3HD1 LEU 48 3HD1 LEU 48 -3.561 -2.181 -5.796 317 1HD2 LEU 48 1HD2 LEU 48 -3.098 -3.190 -4.189 318 2HD2 LEU 48 2HD2 LEU 48 -1.473 -3.233 -3.505 319 3HD2 LEU 48 3HD2 LEU 48 -2.063 -4.591 -4.466 320 H THR 49 H THR 49 -1.397 -0.981 -8.332 321 HA THR 49 HA THR 49 1.112 0.378 -7.432 322 HB THR 49 HB THR 49 0.874 1.974 -9.200 323 HG1 THR 49 1HG THR 49 -1.074 2.399 -9.797 324 1HG2 THR 49 1HG2 THR 49 0.697 0.372 -11.228 325 2HG2 THR 49 2HG2 THR 49 0.491 -0.898 -10.023 326 3HG2 THR 49 3HG2 THR 49 1.968 0.065 -10.044 327 H LEU 50 H LEU 50 -0.074 2.967 -7.917 328 HA LEU 50 HA LEU 50 -1.824 3.176 -5.530 329 1HB LEU 50 2HB LEU 50 -0.026 4.539 -5.022 330 2HB LEU 50 1HB LEU 50 0.367 4.820 -6.709 331 HG LEU 50 HG LEU 50 -1.681 6.312 -6.837 332 1HD1 LEU 50 1HD1 LEU 50 -1.570 6.569 -3.871 333 2HD1 LEU 50 2HD1 LEU 50 -2.443 5.182 -4.523 334 3HD1 LEU 50 3HD1 LEU 50 -2.923 6.817 -4.969 335 1HD2 LEU 50 1HD2 LEU 50 -0.556 8.171 -5.544 336 2HD2 LEU 50 2HD2 LEU 50 0.505 7.319 -6.664 337 3HD2 LEU 50 3HD2 LEU 50 0.585 6.971 -4.936 338 H SER 51 H SER 51 -3.789 4.316 -5.725 339 HA SER 51 HA SER 51 -4.568 5.051 -8.519 340 1HB SER 51 2HB SER 51 -5.800 3.224 -6.898 341 2HB SER 51 1HB SER 51 -6.697 4.686 -6.495 342 HG SER 51 HG SER 51 -7.300 4.894 -8.589 343 H HIS 52 H HIS 52 -4.694 5.962 -5.111 344 HA HIS 52 HA HIS 52 -4.345 8.703 -5.551 345 1HB HIS 52 2HB HIS 52 -6.390 9.652 -5.886 346 2HB HIS 52 1HB HIS 52 -6.858 8.050 -6.446 347 HD1 HIS 52 1HD HIS 52 -8.205 6.545 -4.753 348 HD2 HIS 52 2HD HIS 52 -7.524 10.437 -3.423 349 HE1 HIS 52 1HE HIS 52 -9.740 6.906 -2.771 350 H PHE 53 H PHE 53 -3.271 8.971 -3.683 351 HA PHE 53 HA PHE 53 -3.357 7.538 -1.342 352 1HB PHE 53 2HB PHE 53 -2.929 10.506 -1.749 353 2HB PHE 53 1HB PHE 53 -2.692 9.719 -0.194 354 HD1 PHE 53 1HD PHE 53 -1.559 9.791 -3.727 355 HD2 PHE 53 2HD PHE 53 -0.757 8.366 0.246 356 HE1 PHE 53 1HE PHE 53 0.698 9.062 -4.444 357 HE2 PHE 53 2HE PHE 53 1.509 7.635 -0.475 358 HZ PHE 53 HZ PHE 53 2.229 7.990 -2.823 359 H GLY 54 H GLY 54 -5.457 6.871 -0.759 360 1HA GLY 54 2HA GLY 54 -6.896 8.250 1.158 361 2HA GLY 54 1HA GLY 54 -7.614 8.784 -0.364 362 H LYS 55 H LYS 55 -9.039 7.243 1.574 363 HA LYS 55 HA LYS 55 -9.051 4.451 0.708 364 1HB LYS 55 2HB LYS 55 -11.082 4.309 2.177 365 2HB LYS 55 1HB LYS 55 -9.665 4.958 3.005 366 1HG LYS 55 2HG LYS 55 -11.062 7.126 1.748 367 2HG LYS 55 1HG LYS 55 -12.215 6.185 2.694 368 1HD LYS 55 2HD LYS 55 -11.419 7.134 4.568 369 2HD LYS 55 1HD LYS 55 -9.848 6.396 4.252 370 1HE LYS 55 2HE LYS 55 -8.967 8.400 3.733 371 2HE LYS 55 1HE LYS 55 -10.209 8.663 2.510 372 1HZ LYS 55 1HZ LYS 55 -11.255 10.073 3.840 373 2HZ LYS 55 2HZ LYS 55 -9.944 9.977 4.917 374 3HZ LYS 55 3HZ LYS 55 -11.286 8.956 5.116 375 H CYS 56 H CYS 56 -10.462 3.513 -0.755 376 HA CYS 56 HA CYS 56 -12.058 5.397 -2.397 377 1HB CYS 56 2HB CYS 56 -10.850 2.705 -2.809 378 2HB CYS 56 1HB CYS 56 -12.335 3.054 -3.689 Start of MODEL 4 1 1H ALA 3 1HT ALA 3 7.983 4.069 -8.212 2 2H ALA 3 2HT ALA 3 9.341 3.164 -8.684 3 3H ALA 3 3HT ALA 3 8.295 2.570 -7.484 4 HA ALA 3 HA ALA 3 7.927 2.675 -10.393 5 1HB ALA 3 1HB ALA 3 7.045 0.655 -8.312 6 2HB ALA 3 2HB ALA 3 8.620 0.604 -9.105 7 3HB ALA 3 3HB ALA 3 7.147 0.419 -10.057 8 H VAL 4 H VAL 4 6.293 3.350 -7.390 9 HA VAL 4 HA VAL 4 3.858 4.020 -8.957 10 HB VAL 4 HB VAL 4 3.973 1.755 -7.419 11 1HG1 VAL 4 1HG1 VAL 4 4.211 2.956 -5.311 12 2HG1 VAL 4 2HG1 VAL 4 2.603 2.237 -5.387 13 3HG1 VAL 4 3HG1 VAL 4 2.811 3.960 -5.689 14 1HG2 VAL 4 1HG2 VAL 4 1.347 2.292 -7.263 15 2HG2 VAL 4 2HG2 VAL 4 2.133 1.863 -8.782 16 3HG2 VAL 4 3HG2 VAL 4 1.817 3.556 -8.399 17 H SER 5 H SER 5 5.449 4.273 -5.786 18 HA SER 5 HA SER 5 5.489 7.097 -5.699 19 1HB SER 5 2HB SER 5 3.033 6.955 -5.692 20 2HB SER 5 1HB SER 5 3.088 5.875 -4.304 21 HG SER 5 HG SER 5 2.813 7.849 -3.432 22 H VAL 6 H VAL 6 4.556 4.479 -3.432 23 HA VAL 6 HA VAL 6 6.500 5.490 -1.463 24 HB VAL 6 HB VAL 6 5.618 3.688 -0.027 25 1HG1 VAL 6 1HG1 VAL 6 4.059 5.803 -1.244 26 2HG1 VAL 6 2HG1 VAL 6 4.044 5.233 0.425 27 3HG1 VAL 6 3HG1 VAL 6 3.019 4.456 -0.781 28 1HG2 VAL 6 1HG2 VAL 6 3.497 2.891 -1.896 29 2HG2 VAL 6 2HG2 VAL 6 4.504 1.889 -0.853 30 3HG2 VAL 6 3HG2 VAL 6 5.107 2.406 -2.427 31 H ASP 7 H ASP 7 8.040 3.829 -0.466 32 HA ASP 7 HA ASP 7 9.390 2.391 -2.680 33 1HB ASP 7 2HB ASP 7 10.541 3.982 -0.958 34 2HB ASP 7 1HB ASP 7 10.447 2.596 0.132 35 H CYS 8 H CYS 8 8.817 0.295 -2.955 36 HA CYS 8 HA CYS 8 8.185 -1.309 -0.509 37 1HB CYS 8 2HB CYS 8 7.215 -1.823 -3.335 38 2HB CYS 8 1HB CYS 8 6.699 -2.658 -1.869 39 H SER 9 H SER 9 10.852 -0.888 -1.602 40 HA SER 9 HA SER 9 11.495 -3.406 -3.006 41 1HB SER 9 2HB SER 9 12.723 -0.819 -2.730 42 2HB SER 9 1HB SER 9 13.862 -2.057 -2.210 43 HG SER 9 HG SER 9 12.415 -1.972 -4.657 44 H GLU 10 H GLU 10 10.783 -2.752 0.086 45 HA GLU 10 HA GLU 10 12.747 -4.769 1.089 46 1HB GLU 10 2HB GLU 10 12.297 -3.388 3.346 47 2HB GLU 10 1HB GLU 10 13.595 -2.957 2.233 48 1HG GLU 10 2HG GLU 10 10.845 -1.801 1.845 49 2HG GLU 10 1HG GLU 10 11.937 -1.092 3.035 50 H TYR 11 H TYR 11 10.299 -5.571 0.162 51 HA TYR 11 HA TYR 11 8.802 -6.112 2.693 52 1HB TYR 11 2HB TYR 11 7.819 -5.310 -0.019 53 2HB TYR 11 1HB TYR 11 6.829 -6.413 0.937 54 HD1 TYR 11 1HD TYR 11 5.558 -5.634 2.789 55 HD2 TYR 11 2HD TYR 11 8.537 -3.102 1.008 56 HE1 TYR 11 1HE TYR 11 4.757 -3.726 4.157 57 HE2 TYR 11 2HE TYR 11 7.735 -1.195 2.375 58 HH TYR 11 HH TYR 11 6.488 -0.953 4.637 59 HA PRO 12 HA PRO 12 6.677 -7.222 2.610 60 1HB PRO 12 2HB PRO 12 6.096 -9.352 4.248 61 2HB PRO 12 1HB PRO 12 5.443 -9.166 2.612 62 1HG PRO 12 2HG PRO 12 7.602 -10.988 3.579 63 2HG PRO 12 1HG PRO 12 6.489 -11.191 2.215 64 1HD PRO 12 2HD PRO 12 9.187 -10.394 2.019 65 2HD PRO 12 1HD PRO 12 7.963 -10.228 0.742 66 H LYS 13 H LYS 13 6.382 -6.767 4.996 67 HA LYS 13 HA LYS 13 9.048 -6.645 6.315 68 1HB LYS 13 2HB LYS 13 6.532 -5.187 7.147 69 2HB LYS 13 1HB LYS 13 8.197 -4.807 7.585 70 1HG LYS 13 2HG LYS 13 7.366 -4.827 4.693 71 2HG LYS 13 1HG LYS 13 7.041 -3.414 5.698 72 1HD LYS 13 2HD LYS 13 9.768 -4.694 5.345 73 2HD LYS 13 1HD LYS 13 9.223 -3.238 4.511 74 1HE LYS 13 2HE LYS 13 8.783 -2.224 6.796 75 2HE LYS 13 1HE LYS 13 9.620 -3.611 7.489 76 1HZ LYS 13 1HZ LYS 13 11.613 -3.003 6.512 77 2HZ LYS 13 2HZ LYS 13 10.960 -1.506 6.983 78 3HZ LYS 13 3HZ LYS 13 10.875 -2.002 5.360 79 HA PRO 14 HA PRO 14 7.741 -9.558 9.339 80 1HB PRO 14 2HB PRO 14 9.569 -8.910 11.288 81 2HB PRO 14 1HB PRO 14 9.980 -9.830 9.829 82 1HG PRO 14 2HG PRO 14 10.595 -6.988 10.490 83 2HG PRO 14 1HG PRO 14 11.460 -8.103 9.419 84 1HD PRO 14 2HD PRO 14 9.692 -6.048 8.596 85 2HD PRO 14 1HD PRO 14 10.305 -7.370 7.579 86 H ALA 15 H ALA 15 7.491 -6.189 9.699 87 HA ALA 15 HA ALA 15 5.388 -6.429 11.696 88 1HB ALA 15 1HB ALA 15 8.035 -5.142 12.419 89 2HB ALA 15 2HB ALA 15 7.228 -6.470 13.254 90 3HB ALA 15 3HB ALA 15 6.540 -4.847 13.309 91 H CYS 16 H CYS 16 4.166 -4.449 11.826 92 HA CYS 16 HA CYS 16 5.113 -2.244 10.067 93 1HB CYS 16 2HB CYS 16 2.593 -3.857 9.763 94 2HB CYS 16 1HB CYS 16 2.620 -2.164 9.262 95 H THR 17 H THR 17 4.346 -0.208 10.664 96 HA THR 17 HA THR 17 3.525 0.088 13.423 97 HB THR 17 HB THR 17 3.053 2.512 12.016 98 HG1 THR 17 1HG THR 17 4.222 2.147 10.305 99 1HG2 THR 17 1HG2 THR 17 5.323 3.056 13.140 100 2HG2 THR 17 2HG2 THR 17 5.228 1.418 13.787 101 3HG2 THR 17 3HG2 THR 17 3.975 2.594 14.181 102 H MET 18 H MET 18 1.527 1.270 14.081 103 HA MET 18 HA MET 18 -0.792 0.254 12.552 104 1HB MET 18 2HB MET 18 -0.246 1.018 15.323 105 2HB MET 18 1HB MET 18 -1.765 1.690 14.729 106 1HG MET 18 2HG MET 18 -2.765 -0.336 14.701 107 2HG MET 18 1HG MET 18 -1.378 -1.093 13.916 108 1HE MET 18 1HE MET 18 -2.763 -2.504 17.572 109 2HE MET 18 2HE MET 18 -2.572 -3.128 15.935 110 3HE MET 18 3HE MET 18 -3.548 -1.688 16.211 111 H GLU 19 H GLU 19 0.952 2.598 11.693 112 HA GLU 19 HA GLU 19 -0.298 5.081 12.024 113 1HB GLU 19 2HB GLU 19 1.758 4.995 10.803 114 2HB GLU 19 1HB GLU 19 1.088 3.877 9.617 115 1HG GLU 19 2HG GLU 19 1.128 6.076 8.612 116 2HG GLU 19 1HG GLU 19 -0.553 5.677 8.961 117 H TYR 20 H TYR 20 -1.925 6.191 10.811 118 HA TYR 20 HA TYR 20 -3.907 4.348 9.548 119 1HB TYR 20 2HB TYR 20 -4.309 6.123 11.555 120 2HB TYR 20 1HB TYR 20 -4.672 7.125 10.155 121 HD1 TYR 20 1HD TYR 20 -5.960 5.533 8.234 122 HD2 TYR 20 2HD TYR 20 -6.238 5.220 12.508 123 HE1 TYR 20 1HE TYR 20 -8.172 4.438 8.008 124 HE2 TYR 20 2HE TYR 20 -8.451 4.124 12.284 125 HH TYR 20 HH TYR 20 -10.355 4.285 9.952 126 H ARG 21 H ARG 21 -2.927 4.374 7.511 127 HA ARG 21 HA ARG 21 -3.297 6.920 6.000 128 1HB ARG 21 2HB ARG 21 -0.823 6.007 6.575 129 2HB ARG 21 1HB ARG 21 -1.136 5.072 5.112 130 1HG ARG 21 2HG ARG 21 -1.446 7.019 3.797 131 2HG ARG 21 1HG ARG 21 -1.635 8.048 5.219 132 1HD ARG 21 2HD ARG 21 0.896 6.741 5.420 133 2HD ARG 21 1HD ARG 21 0.768 7.427 3.801 134 HE ARG 21 HE ARG 21 0.002 9.242 5.987 135 1HH1 ARG 21 1HH1 ARG 21 2.923 7.897 5.178 136 2HH1 ARG 21 2HH1 ARG 21 3.695 9.373 4.703 137 1HH2 ARG 21 1HH2 ARG 21 0.775 11.239 4.797 138 2HH2 ARG 21 2HH2 ARG 21 2.479 11.265 4.489 139 HA PRO 22 HA PRO 22 -5.672 3.690 3.894 140 1HB PRO 22 2HB PRO 22 -7.530 5.443 2.883 141 2HB PRO 22 1HB PRO 22 -7.633 4.734 4.503 142 1HG PRO 22 2HG PRO 22 -6.852 7.506 3.713 143 2HG PRO 22 1HG PRO 22 -7.584 6.932 5.221 144 1HD PRO 22 2HD PRO 22 -4.858 7.572 4.860 145 2HD PRO 22 1HD PRO 22 -5.535 6.653 6.220 146 H LEU 23 H LEU 23 -4.609 3.058 2.048 147 HA LEU 23 HA LEU 23 -4.063 5.148 -0.025 148 1HB LEU 23 2HB LEU 23 -2.745 2.446 0.387 149 2HB LEU 23 1HB LEU 23 -2.317 3.616 -0.863 150 HG LEU 23 HG LEU 23 -2.011 3.896 2.134 151 1HD1 LEU 23 1HD1 LEU 23 -0.288 3.192 -0.029 152 2HD1 LEU 23 2HD1 LEU 23 0.133 3.403 1.671 153 3HD1 LEU 23 3HD1 LEU 23 0.216 4.774 0.565 154 1HD2 LEU 23 1HD2 LEU 23 -1.117 6.239 1.425 155 2HD2 LEU 23 2HD2 LEU 23 -2.862 6.020 1.554 156 3HD2 LEU 23 3HD2 LEU 23 -2.086 6.000 -0.029 157 H CYS 24 H CYS 24 -5.294 5.027 -1.835 158 HA CYS 24 HA CYS 24 -6.990 2.649 -2.245 159 1HB CYS 24 2HB CYS 24 -7.909 4.960 -2.499 160 2HB CYS 24 1HB CYS 24 -6.825 5.203 -3.869 161 H GLY 25 H GLY 25 -5.446 1.077 -2.964 162 1HA GLY 25 2HA GLY 25 -3.403 1.378 -4.834 163 2HA GLY 25 1HA GLY 25 -4.358 -0.099 -4.687 164 H SER 26 H SER 26 -3.314 1.135 -7.148 165 HA SER 26 HA SER 26 -5.252 2.558 -8.623 166 1HB SER 26 2HB SER 26 -2.832 1.862 -9.261 167 2HB SER 26 1HB SER 26 -3.585 0.396 -9.884 168 HG SER 26 HG SER 26 -3.717 1.725 -11.573 169 H ASP 27 H ASP 27 -5.423 -0.652 -7.441 170 HA ASP 27 HA ASP 27 -7.319 -1.551 -9.505 171 1HB ASP 27 2HB ASP 27 -7.373 -3.637 -8.269 172 2HB ASP 27 1HB ASP 27 -5.694 -3.113 -8.391 173 H ASN 28 H ASN 28 -7.826 0.781 -7.564 174 HA ASN 28 HA ASN 28 -9.687 1.648 -6.439 175 1HB ASN 28 2HB ASN 28 -10.679 -0.124 -8.422 176 2HB ASN 28 1HB ASN 28 -11.607 -0.434 -6.956 177 1HD2 ASN 28 1HD2 ASN 28 -13.500 0.625 -8.007 178 2HD2 ASN 28 2HD2 ASN 28 -13.574 2.319 -8.107 179 H LYS 29 H LYS 29 -7.866 -0.152 -5.066 180 HA LYS 29 HA LYS 29 -9.745 -1.497 -3.165 181 1HB LYS 29 2HB LYS 29 -7.883 -2.818 -4.419 182 2HB LYS 29 1HB LYS 29 -6.778 -2.017 -3.302 183 1HG LYS 29 2HG LYS 29 -7.283 -3.580 -1.769 184 2HG LYS 29 1HG LYS 29 -8.927 -2.943 -1.726 185 1HD LYS 29 2HD LYS 29 -9.751 -4.700 -2.892 186 2HD LYS 29 1HD LYS 29 -8.427 -4.649 -4.057 187 1HE LYS 29 2HE LYS 29 -8.151 -5.780 -1.259 188 2HE LYS 29 1HE LYS 29 -8.509 -6.763 -2.678 189 1HZ LYS 29 1HZ LYS 29 -6.244 -6.885 -2.623 190 2HZ LYS 29 2HZ LYS 29 -6.050 -5.322 -1.985 191 3HZ LYS 29 3HZ LYS 29 -6.435 -5.530 -3.626 192 H THR 30 H THR 30 -9.579 -0.975 -0.958 193 HA THR 30 HA THR 30 -8.030 1.491 -0.389 194 HB THR 30 HB THR 30 -10.188 0.048 1.178 195 HG1 THR 30 1HG THR 30 -11.463 1.435 0.244 196 1HG2 THR 30 1HG2 THR 30 -8.445 1.194 2.601 197 2HG2 THR 30 2HG2 THR 30 -10.072 1.848 2.776 198 3HG2 THR 30 3HG2 THR 30 -8.877 2.705 1.802 199 H TYR 31 H TYR 31 -6.318 1.522 1.032 200 HA TYR 31 HA TYR 31 -5.500 -1.086 2.223 201 1HB TYR 31 2HB TYR 31 -3.806 1.269 1.368 202 2HB TYR 31 1HB TYR 31 -3.217 -0.258 1.999 203 HD1 TYR 31 1HD TYR 31 -5.553 -1.824 0.495 204 HD2 TYR 31 2HD TYR 31 -2.504 0.945 -0.707 205 HE1 TYR 31 1HE TYR 31 -5.592 -2.775 -1.795 206 HE2 TYR 31 2HE TYR 31 -2.540 -0.005 -2.999 207 HH TYR 31 HH TYR 31 -4.822 -2.604 -3.868 208 H GLY 32 H GLY 32 -4.060 -0.744 4.201 209 1HA GLY 32 2HA GLY 32 -5.364 1.270 5.952 210 2HA GLY 32 1HA GLY 32 -4.434 -0.122 6.510 211 H ASN 33 H ASN 33 -2.416 0.633 4.291 212 HA ASN 33 HA ASN 33 -1.281 3.161 4.766 213 1HB ASN 33 2HB ASN 33 0.521 2.606 6.397 214 2HB ASN 33 1HB ASN 33 -1.084 2.545 7.118 215 1HD2 ASN 33 1HD2 ASN 33 0.315 1.072 8.675 216 2HD2 ASN 33 2HD2 ASN 33 0.338 -0.582 8.297 217 H LYS 34 H LYS 34 1.121 3.164 4.202 218 HA LYS 34 HA LYS 34 1.587 1.887 1.754 219 1HB LYS 34 2HB LYS 34 3.959 2.496 2.069 220 2HB LYS 34 1HB LYS 34 2.897 3.819 2.554 221 1HG LYS 34 2HG LYS 34 3.049 2.901 4.928 222 2HG LYS 34 1HG LYS 34 4.349 1.859 4.345 223 1HD LYS 34 2HD LYS 34 5.820 3.555 4.469 224 2HD LYS 34 1HD LYS 34 4.799 4.558 3.439 225 1HE LYS 34 2HE LYS 34 5.048 5.702 5.553 226 2HE LYS 34 1HE LYS 34 3.400 5.083 5.470 227 1HZ LYS 34 1HZ LYS 34 3.795 3.546 7.063 228 2HZ LYS 34 2HZ LYS 34 4.958 4.684 7.552 229 3HZ LYS 34 3HZ LYS 34 5.422 3.333 6.633 230 H CYS 35 H CYS 35 1.770 0.529 4.925 231 HA CYS 35 HA CYS 35 3.692 -1.549 4.313 232 1HB CYS 35 2HB CYS 35 3.335 -1.089 6.629 233 2HB CYS 35 1HB CYS 35 1.586 -1.225 6.461 234 H ASN 36 H ASN 36 0.151 -1.324 4.282 235 HA ASN 36 HA ASN 36 -0.168 -4.063 3.378 236 1HB ASN 36 2HB ASN 36 -1.802 -1.887 4.347 237 2HB ASN 36 1HB ASN 36 -2.502 -2.573 2.891 238 1HD2 ASN 36 1HD2 ASN 36 -0.921 -3.751 5.913 239 2HD2 ASN 36 2HD2 ASN 36 -1.987 -5.053 6.145 240 H PHE 37 H PHE 37 0.609 -1.081 1.916 241 HA PHE 37 HA PHE 37 -0.574 -1.716 -0.701 242 1HB PHE 37 2HB PHE 37 -0.308 0.651 0.015 243 2HB PHE 37 1HB PHE 37 1.439 0.417 0.089 244 HD1 PHE 37 1HD PHE 37 2.613 -0.450 -2.057 245 HD2 PHE 37 2HD PHE 37 -1.310 1.297 -2.035 246 HE1 PHE 37 1HE PHE 37 2.798 0.001 -4.488 247 HE2 PHE 37 2HE PHE 37 -1.127 1.746 -4.466 248 HZ PHE 37 HZ PHE 37 0.928 1.098 -5.691 249 H CYS 38 H CYS 38 2.669 -1.612 0.762 250 HA CYS 38 HA CYS 38 4.005 -2.586 -1.615 251 1HB CYS 38 2HB CYS 38 4.889 -2.539 1.289 252 2HB CYS 38 1HB CYS 38 5.939 -2.914 -0.078 253 H ASN 39 H ASN 39 2.589 -4.067 1.254 254 HA ASN 39 HA ASN 39 3.658 -6.712 0.707 255 1HB ASN 39 2HB ASN 39 1.724 -5.512 2.619 256 2HB ASN 39 1HB ASN 39 1.462 -7.213 2.230 257 1HD2 ASN 39 1HD2 ASN 39 2.450 -6.104 4.814 258 2HD2 ASN 39 2HD2 ASN 39 3.980 -6.795 5.064 259 H ALA 40 H ALA 40 0.562 -5.075 0.122 260 HA ALA 40 HA ALA 40 -0.738 -7.276 -1.158 261 1HB ALA 40 1HB ALA 40 -2.293 -5.606 -0.891 262 2HB ALA 40 2HB ALA 40 -1.751 -5.133 -2.501 263 3HB ALA 40 3HB ALA 40 -1.094 -4.326 -1.079 264 H VAL 41 H VAL 41 1.765 -5.086 -2.096 265 HA VAL 41 HA VAL 41 1.591 -5.641 -4.958 266 HB VAL 41 HB VAL 41 3.690 -4.310 -3.226 267 1HG1 VAL 41 1HG1 VAL 41 3.855 -5.338 -5.958 268 2HG1 VAL 41 2HG1 VAL 41 5.136 -4.731 -4.911 269 3HG1 VAL 41 3HG1 VAL 41 4.175 -3.607 -5.871 270 1HG2 VAL 41 1HG2 VAL 41 2.374 -2.834 -5.403 271 2HG2 VAL 41 2HG2 VAL 41 2.621 -2.369 -3.719 272 3HG2 VAL 41 3HG2 VAL 41 1.256 -3.395 -4.160 273 H VAL 42 H VAL 42 3.375 -6.896 -2.177 274 HA VAL 42 HA VAL 42 5.046 -8.614 -3.893 275 HB VAL 42 HB VAL 42 4.738 -8.474 -0.879 276 1HG1 VAL 42 1HG1 VAL 42 6.905 -9.785 -0.939 277 2HG1 VAL 42 2HG1 VAL 42 6.617 -10.049 -2.659 278 3HG1 VAL 42 3HG1 VAL 42 5.485 -10.688 -1.467 279 1HG2 VAL 42 1HG2 VAL 42 7.179 -7.577 -1.263 280 2HG2 VAL 42 2HG2 VAL 42 5.812 -6.489 -1.501 281 3HG2 VAL 42 3HG2 VAL 42 6.598 -7.235 -2.892 282 H GLU 43 H GLU 43 1.919 -8.729 -2.623 283 HA GLU 43 HA GLU 43 1.884 -11.691 -2.434 284 1HB GLU 43 2HB GLU 43 -0.197 -9.570 -1.827 285 2HB GLU 43 1HB GLU 43 -0.519 -11.301 -1.736 286 1HG GLU 43 2HG GLU 43 1.926 -10.477 -0.322 287 2HG GLU 43 1HG GLU 43 0.450 -9.775 0.341 288 H SER 44 H SER 44 0.863 -9.051 -4.495 289 HA SER 44 HA SER 44 -0.737 -10.876 -6.191 290 1HB SER 44 2HB SER 44 -1.178 -8.308 -5.583 291 2HB SER 44 1HB SER 44 -0.163 -8.060 -6.998 292 HG SER 44 HG SER 44 -2.368 -8.241 -7.558 293 H ASN 45 H ASN 45 2.384 -10.677 -5.813 294 HA ASN 45 HA ASN 45 4.150 -11.323 -7.236 295 1HB ASN 45 2HB ASN 45 2.092 -12.345 -8.554 296 2HB ASN 45 1HB ASN 45 2.418 -11.010 -9.661 297 1HD2 ASN 45 1HD2 ASN 45 4.699 -13.037 -7.745 298 2HD2 ASN 45 2HD2 ASN 45 5.588 -13.570 -9.090 299 H GLY 46 H GLY 46 2.531 -8.441 -7.193 300 1HA GLY 46 2HA GLY 46 3.901 -6.398 -7.469 301 2HA GLY 46 1HA GLY 46 4.647 -7.160 -8.873 302 H THR 47 H THR 47 1.257 -7.647 -8.515 303 HA THR 47 HA THR 47 0.802 -5.817 -10.823 304 HB THR 47 HB THR 47 -1.233 -7.109 -11.213 305 HG1 THR 47 1HG THR 47 -1.570 -8.940 -9.777 306 1HG2 THR 47 1HG2 THR 47 0.024 -8.639 -12.273 307 2HG2 THR 47 2HG2 THR 47 0.353 -9.459 -10.747 308 3HG2 THR 47 3HG2 THR 47 1.402 -8.149 -11.286 309 H LEU 48 H LEU 48 1.095 -4.607 -8.288 310 HA LEU 48 HA LEU 48 -1.670 -3.562 -7.898 311 1HB LEU 48 2HB LEU 48 -0.986 -5.225 -6.087 312 2HB LEU 48 1HB LEU 48 0.238 -4.053 -5.602 313 HG LEU 48 HG LEU 48 -2.199 -2.628 -5.911 314 1HD1 LEU 48 1HD1 LEU 48 -2.467 -5.322 -4.621 315 2HD1 LEU 48 2HD1 LEU 48 -3.619 -4.450 -5.632 316 3HD1 LEU 48 3HD1 LEU 48 -3.369 -3.961 -3.956 317 1HD2 LEU 48 1HD2 LEU 48 -0.241 -2.229 -4.350 318 2HD2 LEU 48 2HD2 LEU 48 -0.864 -3.539 -3.346 319 3HD2 LEU 48 3HD2 LEU 48 -1.826 -2.081 -3.589 320 H THR 49 H THR 49 -1.522 -1.472 -8.505 321 HA THR 49 HA THR 49 0.962 0.039 -7.815 322 HB THR 49 HB THR 49 0.195 1.617 -9.620 323 HG1 THR 49 1HG THR 49 -1.651 -0.470 -10.127 324 1HG2 THR 49 1HG2 THR 49 0.574 -1.286 -10.388 325 2HG2 THR 49 2HG2 THR 49 1.853 -0.101 -10.118 326 3HG2 THR 49 3HG2 THR 49 0.757 0.081 -11.488 327 H LEU 50 H LEU 50 -0.286 2.613 -8.200 328 HA LEU 50 HA LEU 50 -2.066 2.660 -5.804 329 1HB LEU 50 2HB LEU 50 -0.608 4.106 -4.877 330 2HB LEU 50 1HB LEU 50 0.424 3.975 -6.291 331 HG LEU 50 HG LEU 50 -1.415 5.747 -7.236 332 1HD1 LEU 50 1HD1 LEU 50 -2.205 5.538 -4.624 333 2HD1 LEU 50 2HD1 LEU 50 -2.472 6.957 -5.636 334 3HD1 LEU 50 3HD1 LEU 50 -1.086 6.900 -4.549 335 1HD2 LEU 50 1HD2 LEU 50 0.291 7.475 -6.093 336 2HD2 LEU 50 2HD2 LEU 50 0.760 6.459 -7.457 337 3HD2 LEU 50 3HD2 LEU 50 1.190 5.984 -5.813 338 H SER 51 H SER 51 -3.731 4.321 -5.828 339 HA SER 51 HA SER 51 -4.445 5.248 -8.582 340 1HB SER 51 2HB SER 51 -5.873 3.410 -7.011 341 2HB SER 51 1HB SER 51 -6.743 4.931 -6.824 342 HG SER 51 HG SER 51 -6.753 5.086 -9.118 343 H HIS 52 H HIS 52 -4.330 5.871 -5.151 344 HA HIS 52 HA HIS 52 -3.972 8.614 -5.288 345 1HB HIS 52 2HB HIS 52 -5.933 9.508 -5.955 346 2HB HIS 52 1HB HIS 52 -6.654 7.906 -6.047 347 HD1 HIS 52 1HD HIS 52 -8.504 7.455 -4.438 348 HD2 HIS 52 2HD HIS 52 -6.095 10.609 -3.161 349 HE1 HIS 52 1HE HIS 52 -9.596 8.387 -2.351 350 H PHE 53 H PHE 53 -2.858 8.494 -3.381 351 HA PHE 53 HA PHE 53 -3.315 6.856 -1.192 352 1HB PHE 53 2HB PHE 53 -2.138 9.614 -1.440 353 2HB PHE 53 1HB PHE 53 -2.292 8.854 0.141 354 HD1 PHE 53 1HD PHE 53 -1.862 6.753 -2.817 355 HD2 PHE 53 2HD PHE 53 0.189 8.764 0.376 356 HE1 PHE 53 1HE PHE 53 0.163 5.400 -3.269 357 HE2 PHE 53 2HE PHE 53 2.220 7.406 -0.077 358 HZ PHE 53 HZ PHE 53 2.202 5.726 -1.901 359 H GLY 54 H GLY 54 -5.403 6.574 -0.522 360 1HA GLY 54 2HA GLY 54 -6.645 7.993 1.427 361 2HA GLY 54 1HA GLY 54 -7.156 8.878 -0.014 362 H LYS 55 H LYS 55 -8.426 6.782 1.995 363 HA LYS 55 HA LYS 55 -9.171 4.450 0.650 364 1HB LYS 55 2HB LYS 55 -11.338 4.614 1.936 365 2HB LYS 55 1HB LYS 55 -9.897 4.825 2.931 366 1HG LYS 55 2HG LYS 55 -10.145 7.275 2.780 367 2HG LYS 55 1HG LYS 55 -11.588 7.068 1.784 368 1HD LYS 55 2HD LYS 55 -12.461 5.611 3.758 369 2HD LYS 55 1HD LYS 55 -11.203 6.418 4.699 370 1HE LYS 55 2HE LYS 55 -12.311 8.556 3.437 371 2HE LYS 55 1HE LYS 55 -13.724 7.511 3.586 372 1HZ LYS 55 1HZ LYS 55 -12.388 9.005 5.590 373 2HZ LYS 55 2HZ LYS 55 -12.404 7.356 6.003 374 3HZ LYS 55 3HZ LYS 55 -13.861 8.169 5.683 375 H CYS 56 H CYS 56 -10.465 4.001 -1.096 376 HA CYS 56 HA CYS 56 -11.452 6.282 -2.666 377 1HB CYS 56 2HB CYS 56 -11.077 3.354 -3.113 378 2HB CYS 56 1HB CYS 56 -12.292 4.175 -4.091 Start of MODEL 5 1 1H ALA 3 1HT ALA 3 6.108 -0.568 -9.887 2 2H ALA 3 2HT ALA 3 4.661 0.312 -10.029 3 3H ALA 3 3HT ALA 3 5.191 -0.216 -8.503 4 HA ALA 3 HA ALA 3 6.697 1.434 -8.272 5 1HB ALA 3 1HB ALA 3 6.979 1.116 -11.253 6 2HB ALA 3 2HB ALA 3 8.204 0.921 -10.000 7 3HB ALA 3 3HB ALA 3 7.644 2.534 -10.444 8 H VAL 4 H VAL 4 5.011 2.728 -7.448 9 HA VAL 4 HA VAL 4 4.088 4.852 -9.282 10 HB VAL 4 HB VAL 4 2.314 3.191 -9.484 11 1HG1 VAL 4 1HG1 VAL 4 1.945 1.794 -7.757 12 2HG1 VAL 4 2HG1 VAL 4 1.203 3.134 -6.882 13 3HG1 VAL 4 3HG1 VAL 4 2.923 2.800 -6.688 14 1HG2 VAL 4 1HG2 VAL 4 0.424 4.539 -8.469 15 2HG2 VAL 4 2HG2 VAL 4 1.547 5.482 -9.447 16 3HG2 VAL 4 3HG2 VAL 4 1.646 5.540 -7.687 17 H SER 5 H SER 5 4.422 6.728 -8.212 18 HA SER 5 HA SER 5 4.823 8.208 -6.432 19 1HB SER 5 2HB SER 5 2.407 8.105 -6.253 20 2HB SER 5 1HB SER 5 2.492 6.582 -5.372 21 HG SER 5 HG SER 5 2.615 9.070 -4.428 22 H VAL 6 H VAL 6 3.693 5.778 -4.175 23 HA VAL 6 HA VAL 6 5.960 5.985 -2.487 24 HB VAL 6 HB VAL 6 3.675 5.009 -1.916 25 1HG1 VAL 6 1HG1 VAL 6 3.440 2.568 -2.283 26 2HG1 VAL 6 2HG1 VAL 6 4.929 2.580 -3.229 27 3HG1 VAL 6 3HG1 VAL 6 3.511 3.453 -3.807 28 1HG2 VAL 6 1HG2 VAL 6 5.546 2.953 -0.974 29 2HG2 VAL 6 2HG2 VAL 6 4.651 4.162 -0.053 30 3HG2 VAL 6 3HG2 VAL 6 6.181 4.591 -0.817 31 H ASP 7 H ASP 7 7.619 4.355 -2.049 32 HA ASP 7 HA ASP 7 8.388 2.852 -4.518 33 1HB ASP 7 2HB ASP 7 9.837 4.823 -3.357 34 2HB ASP 7 1HB ASP 7 10.437 3.436 -2.445 35 H CYS 8 H CYS 8 7.103 1.030 -3.755 36 HA CYS 8 HA CYS 8 7.769 -0.217 -1.190 37 1HB CYS 8 2HB CYS 8 6.095 -1.189 -3.524 38 2HB CYS 8 1HB CYS 8 6.211 -1.998 -1.961 39 H SER 9 H SER 9 10.118 0.013 -2.723 40 HA SER 9 HA SER 9 10.579 -2.611 -3.990 41 1HB SER 9 2HB SER 9 11.535 -0.283 -4.734 42 2HB SER 9 1HB SER 9 12.731 -0.576 -3.476 43 HG SER 9 HG SER 9 12.760 -2.786 -4.630 44 H GLU 10 H GLU 10 10.500 -1.528 -0.865 45 HA GLU 10 HA GLU 10 12.736 -3.338 -0.038 46 1HB GLU 10 2HB GLU 10 12.838 -2.084 2.037 47 2HB GLU 10 1HB GLU 10 12.889 -0.936 0.700 48 1HG GLU 10 2HG GLU 10 10.379 -0.692 0.941 49 2HG GLU 10 1HG GLU 10 10.504 -1.635 2.428 50 H TYR 11 H TYR 11 10.146 -4.315 -0.819 51 HA TYR 11 HA TYR 11 9.134 -5.285 1.825 52 1HB TYR 11 2HB TYR 11 7.716 -4.325 -0.624 53 2HB TYR 11 1HB TYR 11 6.969 -5.630 0.292 54 HD1 TYR 11 1HD TYR 11 5.807 -5.171 2.313 55 HD2 TYR 11 2HD TYR 11 8.454 -2.229 0.641 56 HE1 TYR 11 1HE TYR 11 5.048 -3.522 4.008 57 HE2 TYR 11 2HE TYR 11 7.697 -0.582 2.325 58 HH TYR 11 HH TYR 11 5.287 -0.424 3.791 59 HA PRO 12 HA PRO 12 7.043 -6.586 1.787 60 1HB PRO 12 2HB PRO 12 6.692 -8.955 3.122 61 2HB PRO 12 1HB PRO 12 5.943 -8.592 1.557 62 1HG PRO 12 2HG PRO 12 8.254 -10.381 2.163 63 2HG PRO 12 1HG PRO 12 7.093 -10.459 0.827 64 1HD PRO 12 2HD PRO 12 9.730 -9.452 0.670 65 2HD PRO 12 1HD PRO 12 8.455 -9.228 -0.545 66 H LYS 13 H LYS 13 6.805 -6.749 4.283 67 HA LYS 13 HA LYS 13 9.528 -6.725 5.526 68 1HB LYS 13 2HB LYS 13 7.231 -5.145 6.652 69 2HB LYS 13 1HB LYS 13 8.961 -4.849 6.802 70 1HG LYS 13 2HG LYS 13 7.712 -4.705 4.079 71 2HG LYS 13 1HG LYS 13 7.484 -3.359 5.193 72 1HD LYS 13 2HD LYS 13 10.204 -4.524 4.556 73 2HD LYS 13 1HD LYS 13 9.508 -3.161 3.680 74 1HE LYS 13 2HE LYS 13 9.775 -3.171 6.690 75 2HE LYS 13 1HE LYS 13 11.048 -2.564 5.631 76 1HZ LYS 13 1HZ LYS 13 9.906 -0.656 5.826 77 2HZ LYS 13 2HZ LYS 13 8.453 -1.426 6.254 78 3HZ LYS 13 3HZ LYS 13 8.918 -1.325 4.622 79 HA PRO 14 HA PRO 14 7.938 -9.669 8.376 80 1HB PRO 14 2HB PRO 14 9.585 -9.139 10.514 81 2HB PRO 14 1HB PRO 14 10.114 -10.000 9.057 82 1HG PRO 14 2HG PRO 14 10.709 -7.205 9.903 83 2HG PRO 14 1HG PRO 14 11.646 -8.285 8.859 84 1HD PRO 14 2HD PRO 14 9.986 -6.159 7.990 85 2HD PRO 14 1HD PRO 14 10.671 -7.437 6.963 86 H ALA 15 H ALA 15 7.851 -6.278 9.069 87 HA ALA 15 HA ALA 15 5.397 -6.457 10.526 88 1HB ALA 15 1HB ALA 15 6.984 -7.357 12.268 89 2HB ALA 15 2HB ALA 15 6.116 -5.906 12.769 90 3HB ALA 15 3HB ALA 15 7.800 -5.792 12.252 91 H CYS 16 H CYS 16 4.484 -4.400 10.760 92 HA CYS 16 HA CYS 16 6.236 -2.097 10.018 93 1HB CYS 16 2HB CYS 16 3.834 -1.258 9.089 94 2HB CYS 16 1HB CYS 16 5.005 -2.109 8.085 95 H THR 17 H THR 17 4.374 -0.062 10.379 96 HA THR 17 HA THR 17 3.915 -0.264 13.318 97 HB THR 17 HB THR 17 3.522 2.391 12.354 98 HG1 THR 17 1HG THR 17 5.943 2.351 11.658 99 1HG2 THR 17 1HG2 THR 17 5.931 2.445 13.600 100 2HG2 THR 17 2HG2 THR 17 5.325 0.888 14.167 101 3HG2 THR 17 3HG2 THR 17 4.396 2.357 14.467 102 H MET 18 H MET 18 1.985 1.230 14.010 103 HA MET 18 HA MET 18 -0.373 0.282 12.497 104 1HB MET 18 2HB MET 18 0.074 1.497 15.216 105 2HB MET 18 1HB MET 18 -1.541 1.498 14.504 106 1HG MET 18 2HG MET 18 -1.091 -1.032 14.066 107 2HG MET 18 1HG MET 18 0.171 -0.852 15.284 108 1HE MET 18 1HE MET 18 -1.136 -2.298 17.625 109 2HE MET 18 2HE MET 18 -1.137 -0.743 18.450 110 3HE MET 18 3HE MET 18 0.094 -1.088 17.239 111 H GLU 19 H GLU 19 1.542 2.567 11.712 112 HA GLU 19 HA GLU 19 0.380 5.094 11.932 113 1HB GLU 19 2HB GLU 19 2.520 4.646 10.761 114 2HB GLU 19 1HB GLU 19 1.626 3.897 9.438 115 1HG GLU 19 2HG GLU 19 2.133 6.203 8.840 116 2HG GLU 19 1HG GLU 19 0.397 6.048 9.108 117 H TYR 20 H TYR 20 -1.627 5.828 11.401 118 HA TYR 20 HA TYR 20 -3.367 4.156 9.732 119 1HB TYR 20 2HB TYR 20 -3.815 5.933 11.809 120 2HB TYR 20 1HB TYR 20 -4.387 6.807 10.390 121 HD1 TYR 20 1HD TYR 20 -5.358 4.679 8.640 122 HD2 TYR 20 2HD TYR 20 -5.727 5.105 12.899 123 HE1 TYR 20 1HE TYR 20 -7.410 3.287 8.603 124 HE2 TYR 20 2HE TYR 20 -7.778 3.712 12.862 125 HH TYR 20 HH TYR 20 -8.645 1.789 10.315 126 H ARG 21 H ARG 21 -2.829 4.266 7.630 127 HA ARG 21 HA ARG 21 -2.946 6.933 6.319 128 1HB ARG 21 2HB ARG 21 -0.553 6.271 6.599 129 2HB ARG 21 1HB ARG 21 -0.884 4.808 5.672 130 1HG ARG 21 2HG ARG 21 -0.132 6.208 3.982 131 2HG ARG 21 1HG ARG 21 -1.866 6.530 3.917 132 1HD ARG 21 2HD ARG 21 -1.510 8.470 5.464 133 2HD ARG 21 1HD ARG 21 0.227 8.189 5.353 134 HE ARG 21 HE ARG 21 -0.337 8.450 2.746 135 1HH1 ARG 21 1HH1 ARG 21 -2.823 9.718 4.443 136 2HH1 ARG 21 2HH1 ARG 21 -2.553 11.377 4.023 137 1HH2 ARG 21 1HH2 ARG 21 0.574 10.796 2.643 138 2HH2 ARG 21 2HH2 ARG 21 -0.630 11.987 3.010 139 HA PRO 22 HA PRO 22 -5.730 4.169 4.093 140 1HB PRO 22 2HB PRO 22 -7.239 6.213 3.042 141 2HB PRO 22 1HB PRO 22 -7.482 5.547 4.665 142 1HG PRO 22 2HG PRO 22 -6.229 8.133 3.862 143 2HG PRO 22 1HG PRO 22 -7.058 7.707 5.370 144 1HD PRO 22 2HD PRO 22 -4.260 7.865 5.013 145 2HD PRO 22 1HD PRO 22 -5.093 7.105 6.387 146 H LEU 23 H LEU 23 -4.713 3.343 2.295 147 HA LEU 23 HA LEU 23 -3.986 5.260 0.113 148 1HB LEU 23 2HB LEU 23 -2.661 2.734 1.083 149 2HB LEU 23 1HB LEU 23 -2.425 3.290 -0.579 150 HG LEU 23 HG LEU 23 -1.892 4.944 1.911 151 1HD1 LEU 23 1HD1 LEU 23 0.413 4.483 0.273 152 2HD1 LEU 23 2HD1 LEU 23 -0.331 2.925 0.633 153 3HD1 LEU 23 3HD1 LEU 23 0.150 3.998 1.949 154 1HD2 LEU 23 1HD2 LEU 23 -0.588 6.041 -0.295 155 2HD2 LEU 23 2HD2 LEU 23 -2.065 6.658 0.444 156 3HD2 LEU 23 3HD2 LEU 23 -2.160 5.561 -0.933 157 H CYS 24 H CYS 24 -5.304 5.030 -1.658 158 HA CYS 24 HA CYS 24 -6.874 2.535 -1.896 159 1HB CYS 24 2HB CYS 24 -7.060 5.281 -3.024 160 2HB CYS 24 1HB CYS 24 -7.652 3.967 -4.046 161 H GLY 25 H GLY 25 -5.781 0.886 -2.880 162 1HA GLY 25 2HA GLY 25 -3.589 1.355 -4.716 163 2HA GLY 25 1HA GLY 25 -4.305 -0.213 -4.347 164 H SER 26 H SER 26 -3.552 0.779 -6.977 165 HA SER 26 HA SER 26 -5.589 1.799 -8.583 166 1HB SER 26 2HB SER 26 -3.872 1.414 -10.000 167 2HB SER 26 1HB SER 26 -3.212 0.155 -8.963 168 HG SER 26 HG SER 26 -3.980 -1.205 -10.349 169 H ASP 27 H ASP 27 -5.587 -1.214 -6.894 170 HA ASP 27 HA ASP 27 -7.565 -2.497 -8.630 171 1HB ASP 27 2HB ASP 27 -7.564 -4.273 -6.962 172 2HB ASP 27 1HB ASP 27 -5.898 -3.785 -7.278 173 H ASN 28 H ASN 28 -8.064 0.175 -7.139 174 HA ASN 28 HA ASN 28 -9.876 1.213 -6.082 175 1HB ASN 28 2HB ASN 28 -10.899 -0.726 -7.885 176 2HB ASN 28 1HB ASN 28 -11.860 -0.848 -6.410 177 1HD2 ASN 28 1HD2 ASN 28 -13.671 0.145 -7.695 178 2HD2 ASN 28 2HD2 ASN 28 -13.694 1.827 -7.930 179 H LYS 29 H LYS 29 -8.158 -0.322 -4.405 180 HA LYS 29 HA LYS 29 -10.169 -1.336 -2.424 181 1HB LYS 29 2HB LYS 29 -8.140 -2.813 -3.621 182 2HB LYS 29 1HB LYS 29 -7.470 -2.379 -2.049 183 1HG LYS 29 2HG LYS 29 -9.989 -3.068 -1.315 184 2HG LYS 29 1HG LYS 29 -9.771 -4.131 -2.705 185 1HD LYS 29 2HD LYS 29 -7.357 -4.379 -1.395 186 2HD LYS 29 1HD LYS 29 -8.500 -4.235 -0.060 187 1HE LYS 29 2HE LYS 29 -8.871 -6.142 -2.383 188 2HE LYS 29 1HE LYS 29 -8.137 -6.604 -0.847 189 1HZ LYS 29 1HZ LYS 29 -10.842 -6.474 -1.468 190 2HZ LYS 29 2HZ LYS 29 -10.539 -5.221 -0.361 191 3HZ LYS 29 3HZ LYS 29 -10.140 -6.826 0.034 192 H THR 30 H THR 30 -9.733 -0.855 -0.212 193 HA THR 30 HA THR 30 -8.073 1.569 0.144 194 HB THR 30 HB THR 30 -9.862 0.189 2.165 195 HG1 THR 30 1HG THR 30 -10.775 1.014 0.059 196 1HG2 THR 30 1HG2 THR 30 -8.445 1.704 3.293 197 2HG2 THR 30 2HG2 THR 30 -9.918 2.631 3.005 198 3HG2 THR 30 3HG2 THR 30 -8.506 2.874 1.974 199 H TYR 31 H TYR 31 -6.245 1.614 1.484 200 HA TYR 31 HA TYR 31 -5.355 -1.038 2.526 201 1HB TYR 31 2HB TYR 31 -3.916 1.196 1.145 202 2HB TYR 31 1HB TYR 31 -3.036 0.183 2.287 203 HD1 TYR 31 1HD TYR 31 -4.315 0.440 -1.049 204 HD2 TYR 31 2HD TYR 31 -3.226 -2.381 2.001 205 HE1 TYR 31 1HE TYR 31 -4.174 -1.352 -2.757 206 HE2 TYR 31 2HE TYR 31 -3.081 -4.173 0.292 207 HH TYR 31 HH TYR 31 -4.385 -4.346 -2.287 208 H GLY 32 H GLY 32 -4.070 -0.973 4.503 209 1HA GLY 32 2HA GLY 32 -5.118 0.994 6.400 210 2HA GLY 32 1HA GLY 32 -4.054 -0.358 6.792 211 H ASN 33 H ASN 33 -2.209 0.504 4.554 212 HA ASN 33 HA ASN 33 -1.238 3.115 4.933 213 1HB ASN 33 2HB ASN 33 0.688 2.686 6.473 214 2HB ASN 33 1HB ASN 33 -0.874 2.554 7.279 215 1HD2 ASN 33 1HD2 ASN 33 1.177 1.230 8.526 216 2HD2 ASN 33 2HD2 ASN 33 1.060 -0.446 8.281 217 H LYS 34 H LYS 34 1.428 2.918 4.659 218 HA LYS 34 HA LYS 34 1.759 1.804 2.036 219 1HB LYS 34 2HB LYS 34 4.049 2.524 2.205 220 2HB LYS 34 1HB LYS 34 3.065 3.737 3.021 221 1HG LYS 34 2HG LYS 34 3.524 2.527 5.191 222 2HG LYS 34 1HG LYS 34 4.681 1.526 4.312 223 1HD LYS 34 2HD LYS 34 4.785 4.553 4.449 224 2HD LYS 34 1HD LYS 34 5.763 3.470 5.441 225 1HE LYS 34 2HE LYS 34 6.763 2.498 3.410 226 2HE LYS 34 1HE LYS 34 5.776 3.563 2.409 227 1HZ LYS 34 1HZ LYS 34 7.256 5.170 2.669 228 2HZ LYS 34 2HZ LYS 34 8.250 4.110 3.552 229 3HZ LYS 34 3HZ LYS 34 7.117 5.088 4.359 230 H CYS 35 H CYS 35 1.747 0.323 5.071 231 HA CYS 35 HA CYS 35 3.737 -1.743 4.474 232 1HB CYS 35 2HB CYS 35 3.370 -1.187 6.800 233 2HB CYS 35 1HB CYS 35 1.635 -1.458 6.642 234 H ASN 36 H ASN 36 0.180 -1.696 4.850 235 HA ASN 36 HA ASN 36 -0.171 -4.323 3.751 236 1HB ASN 36 2HB ASN 36 -2.300 -2.207 3.788 237 2HB ASN 36 1HB ASN 36 -2.412 -3.913 4.148 238 1HD2 ASN 36 1HD2 ASN 36 -0.131 -4.030 5.974 239 2HD2 ASN 36 2HD2 ASN 36 -0.591 -3.206 7.386 240 H PHE 37 H PHE 37 0.567 -1.316 2.393 241 HA PHE 37 HA PHE 37 -0.832 -1.800 -0.161 242 1HB PHE 37 2HB PHE 37 -0.595 0.497 0.874 243 2HB PHE 37 1HB PHE 37 1.136 0.391 0.561 244 HD1 PHE 37 1HD PHE 37 1.603 1.882 -1.177 245 HD2 PHE 37 2HD PHE 37 -1.790 -0.732 -1.492 246 HE1 PHE 37 1HE PHE 37 1.230 2.650 -3.504 247 HE2 PHE 37 2HE PHE 37 -2.164 0.037 -3.823 248 HZ PHE 37 HZ PHE 37 -0.651 1.728 -4.820 249 H CYS 38 H CYS 38 2.496 -1.635 1.094 250 HA CYS 38 HA CYS 38 3.676 -2.333 -1.471 251 1HB CYS 38 2HB CYS 38 4.840 -2.423 1.326 252 2HB CYS 38 1HB CYS 38 5.766 -2.563 -0.166 253 H ASN 39 H ASN 39 2.562 -4.088 1.365 254 HA ASN 39 HA ASN 39 3.803 -6.601 0.567 255 1HB ASN 39 2HB ASN 39 2.290 -5.611 2.821 256 2HB ASN 39 1HB ASN 39 1.601 -7.136 2.258 257 1HD2 ASN 39 1HD2 ASN 39 3.311 -8.937 1.866 258 2HD2 ASN 39 2HD2 ASN 39 4.609 -9.013 2.957 259 H ALA 40 H ALA 40 0.537 -5.217 0.386 260 HA ALA 40 HA ALA 40 -0.715 -7.460 -0.851 261 1HB ALA 40 1HB ALA 40 -1.261 -4.532 -0.688 262 2HB ALA 40 2HB ALA 40 -2.322 -5.892 -0.317 263 3HB ALA 40 3HB ALA 40 -2.055 -5.413 -1.994 264 H VAL 41 H VAL 41 1.470 -5.022 -1.971 265 HA VAL 41 HA VAL 41 1.062 -5.548 -4.819 266 HB VAL 41 HB VAL 41 3.165 -4.039 -3.248 267 1HG1 VAL 41 1HG1 VAL 41 3.152 -4.957 -6.060 268 2HG1 VAL 41 2HG1 VAL 41 4.504 -4.457 -5.046 269 3HG1 VAL 41 3HG1 VAL 41 3.500 -3.242 -5.840 270 1HG2 VAL 41 1HG2 VAL 41 1.980 -2.144 -3.811 271 2HG2 VAL 41 2HG2 VAL 41 0.644 -3.296 -3.825 272 3HG2 VAL 41 3HG2 VAL 41 1.417 -2.822 -5.338 273 H VAL 42 H VAL 42 3.203 -6.687 -2.257 274 HA VAL 42 HA VAL 42 5.019 -8.072 -4.062 275 HB VAL 42 HB VAL 42 4.529 -8.545 -1.108 276 1HG1 VAL 42 1HG1 VAL 42 7.207 -8.940 -2.255 277 2HG1 VAL 42 2HG1 VAL 42 5.995 -10.047 -2.895 278 3HG1 VAL 42 3HG1 VAL 42 6.290 -9.972 -1.159 279 1HG2 VAL 42 1HG2 VAL 42 5.736 -6.682 -0.649 280 2HG2 VAL 42 2HG2 VAL 42 5.407 -6.206 -2.315 281 3HG2 VAL 42 3HG2 VAL 42 6.911 -7.036 -1.916 282 H GLU 43 H GLU 43 1.978 -8.851 -2.532 283 HA GLU 43 HA GLU 43 2.271 -11.730 -3.079 284 1HB GLU 43 2HB GLU 43 -0.016 -11.887 -2.147 285 2HB GLU 43 1HB GLU 43 1.057 -10.999 -1.064 286 1HG GLU 43 2HG GLU 43 0.201 -8.866 -1.924 287 2HG GLU 43 1HG GLU 43 -0.839 -9.726 -3.060 288 H SER 44 H SER 44 1.055 -8.905 -4.657 289 HA SER 44 HA SER 44 -0.669 -10.461 -6.483 290 1HB SER 44 2HB SER 44 -0.194 -7.590 -5.905 291 2HB SER 44 1HB SER 44 -0.588 -7.977 -7.577 292 HG SER 44 HG SER 44 -2.556 -7.963 -6.803 293 H ASN 45 H ASN 45 2.509 -10.335 -6.232 294 HA ASN 45 HA ASN 45 4.179 -10.901 -7.798 295 1HB ASN 45 2HB ASN 45 2.147 -11.868 -9.090 296 2HB ASN 45 1HB ASN 45 2.218 -10.374 -10.029 297 1HD2 ASN 45 1HD2 ASN 45 2.774 -12.095 -11.803 298 2HD2 ASN 45 2HD2 ASN 45 4.415 -12.482 -11.991 299 H GLY 46 H GLY 46 2.623 -8.012 -7.408 300 1HA GLY 46 2HA GLY 46 3.832 -5.915 -7.572 301 2HA GLY 46 1HA GLY 46 4.777 -6.599 -8.895 302 H THR 47 H THR 47 1.520 -7.404 -9.254 303 HA THR 47 HA THR 47 1.273 -5.474 -11.471 304 HB THR 47 HB THR 47 -1.083 -6.819 -11.486 305 HG1 THR 47 1HG THR 47 -0.929 -8.310 -10.019 306 1HG2 THR 47 1HG2 THR 47 -0.210 -7.618 -13.407 307 2HG2 THR 47 2HG2 THR 47 1.055 -8.499 -12.549 308 3HG2 THR 47 3HG2 THR 47 1.281 -6.796 -12.950 309 H LEU 48 H LEU 48 0.940 -4.991 -8.358 310 HA LEU 48 HA LEU 48 -1.719 -3.635 -8.524 311 1HB LEU 48 2HB LEU 48 -1.027 -5.331 -6.630 312 2HB LEU 48 1HB LEU 48 -0.158 -3.942 -5.977 313 HG LEU 48 HG LEU 48 -2.327 -2.629 -6.212 314 1HD1 LEU 48 1HD1 LEU 48 -4.317 -4.387 -6.066 315 2HD1 LEU 48 2HD1 LEU 48 -3.201 -5.381 -7.003 316 3HD1 LEU 48 3HD1 LEU 48 -3.725 -3.816 -7.627 317 1HD2 LEU 48 1HD2 LEU 48 -3.278 -4.462 -4.299 318 2HD2 LEU 48 2HD2 LEU 48 -2.271 -3.046 -3.996 319 3HD2 LEU 48 3HD2 LEU 48 -1.520 -4.620 -4.261 320 H THR 49 H THR 49 -1.852 -1.405 -8.025 321 HA THR 49 HA THR 49 0.727 0.007 -7.546 322 HB THR 49 HB THR 49 0.482 1.447 -9.366 323 HG1 THR 49 1HG THR 49 -1.599 1.452 -10.520 324 1HG2 THR 49 1HG2 THR 49 0.611 0.014 -11.142 325 2HG2 THR 49 2HG2 THR 49 -0.911 -0.780 -10.744 326 3HG2 THR 49 3HG2 THR 49 0.560 -1.205 -9.871 327 H LEU 50 H LEU 50 -0.536 2.572 -7.936 328 HA LEU 50 HA LEU 50 -2.429 2.655 -5.620 329 1HB LEU 50 2HB LEU 50 -0.358 3.528 -4.782 330 2HB LEU 50 1HB LEU 50 -0.067 4.443 -6.259 331 HG LEU 50 HG LEU 50 -2.610 5.245 -5.241 332 1HD1 LEU 50 1HD1 LEU 50 -1.952 6.115 -3.034 333 2HD1 LEU 50 2HD1 LEU 50 -0.372 5.349 -3.193 334 3HD1 LEU 50 3HD1 LEU 50 -1.825 4.358 -3.065 335 1HD2 LEU 50 1HD2 LEU 50 -0.802 6.487 -6.595 336 2HD2 LEU 50 2HD2 LEU 50 -0.009 6.776 -5.047 337 3HD2 LEU 50 3HD2 LEU 50 -1.628 7.411 -5.341 338 H SER 51 H SER 51 -4.352 3.516 -6.283 339 HA SER 51 HA SER 51 -4.492 4.974 -8.831 340 1HB SER 51 2HB SER 51 -7.030 5.015 -7.734 341 2HB SER 51 1HB SER 51 -6.420 3.792 -8.847 342 HG SER 51 HG SER 51 -6.672 3.736 -6.051 343 H HIS 52 H HIS 52 -4.593 5.679 -5.397 344 HA HIS 52 HA HIS 52 -4.184 8.450 -5.762 345 1HB HIS 52 2HB HIS 52 -6.367 9.391 -5.225 346 2HB HIS 52 1HB HIS 52 -6.505 8.392 -6.669 347 HD1 HIS 52 1HD HIS 52 -7.544 8.582 -3.088 348 HD2 HIS 52 2HD HIS 52 -7.934 5.934 -6.282 349 HE1 HIS 52 1HE HIS 52 -9.310 6.900 -2.410 350 H PHE 53 H PHE 53 -2.963 8.611 -3.991 351 HA PHE 53 HA PHE 53 -2.984 7.166 -1.630 352 1HB PHE 53 2HB PHE 53 -2.005 9.790 -2.469 353 2HB PHE 53 1HB PHE 53 -2.427 9.755 -0.758 354 HD1 PHE 53 1HD PHE 53 -0.731 7.551 -3.285 355 HD2 PHE 53 2HD PHE 53 -0.765 9.087 0.725 356 HE1 PHE 53 1HE PHE 53 1.365 6.318 -2.797 357 HE2 PHE 53 2HE PHE 53 1.331 7.857 1.215 358 HZ PHE 53 HZ PHE 53 2.398 6.473 -0.545 359 H GLY 54 H GLY 54 -4.920 6.688 -0.604 360 1HA GLY 54 2HA GLY 54 -6.150 8.176 1.281 361 2HA GLY 54 1HA GLY 54 -6.915 8.816 -0.174 362 H LYS 55 H LYS 55 -8.343 7.409 1.866 363 HA LYS 55 HA LYS 55 -8.731 4.644 1.081 364 1HB LYS 55 2HB LYS 55 -10.516 4.622 2.677 365 2HB LYS 55 1HB LYS 55 -9.291 5.693 3.357 366 1HG LYS 55 2HG LYS 55 -10.507 7.651 2.483 367 2HG LYS 55 1HG LYS 55 -11.731 6.584 1.791 368 1HD LYS 55 2HD LYS 55 -11.231 6.055 4.632 369 2HD LYS 55 1HD LYS 55 -11.822 7.689 4.330 370 1HE LYS 55 2HE LYS 55 -13.732 6.804 3.088 371 2HE LYS 55 1HE LYS 55 -13.123 5.161 3.277 372 1HZ LYS 55 1HZ LYS 55 -14.325 5.105 5.131 373 2HZ LYS 55 2HZ LYS 55 -14.585 6.785 5.127 374 3HZ LYS 55 3HZ LYS 55 -13.171 6.143 5.816 375 H CYS 56 H CYS 56 -10.770 3.823 0.123 376 HA CYS 56 HA CYS 56 -11.629 5.625 -2.063 377 1HB CYS 56 2HB CYS 56 -11.835 2.642 -1.619 378 2HB CYS 56 1HB CYS 56 -12.715 3.452 -2.915 Start of MODEL 6 1 1H ALA 3 1HT ALA 3 6.162 11.245 -8.932 2 2H ALA 3 2HT ALA 3 7.812 11.132 -9.315 3 3H ALA 3 3HT ALA 3 7.318 11.238 -7.693 4 HA ALA 3 HA ALA 3 6.978 8.965 -9.558 5 1HB ALA 3 1HB ALA 3 7.948 8.666 -6.770 6 2HB ALA 3 2HB ALA 3 9.019 9.541 -7.866 7 3HB ALA 3 3HB ALA 3 8.518 7.894 -8.249 8 H VAL 4 H VAL 4 5.082 7.879 -9.357 9 HA VAL 4 HA VAL 4 3.418 8.410 -6.942 10 HB VAL 4 HB VAL 4 2.439 8.811 -9.230 11 1HG1 VAL 4 1HG1 VAL 4 3.652 6.383 -9.815 12 2HG1 VAL 4 2HG1 VAL 4 2.468 7.210 -10.828 13 3HG1 VAL 4 3HG1 VAL 4 1.941 5.964 -9.695 14 1HG2 VAL 4 1HG2 VAL 4 0.674 8.528 -7.802 15 2HG2 VAL 4 2HG2 VAL 4 1.337 7.043 -7.120 16 3HG2 VAL 4 3HG2 VAL 4 0.482 7.000 -8.662 17 H SER 5 H SER 5 5.659 6.627 -6.742 18 HA SER 5 HA SER 5 4.240 4.240 -5.792 19 1HB SER 5 2HB SER 5 5.034 2.699 -7.285 20 2HB SER 5 1HB SER 5 5.099 4.092 -8.362 21 HG SER 5 HG SER 5 7.249 4.297 -7.959 22 H VAL 6 H VAL 6 5.468 3.129 -4.202 23 HA VAL 6 HA VAL 6 7.886 4.615 -3.308 24 HB VAL 6 HB VAL 6 5.817 4.095 -1.800 25 1HG1 VAL 6 1HG1 VAL 6 5.669 1.704 -2.311 26 2HG1 VAL 6 2HG1 VAL 6 6.023 1.937 -0.599 27 3HG1 VAL 6 3HG1 VAL 6 7.308 1.460 -1.709 28 1HG2 VAL 6 1HG2 VAL 6 8.311 3.188 -0.461 29 2HG2 VAL 6 2HG2 VAL 6 7.190 4.468 0.001 30 3HG2 VAL 6 3HG2 VAL 6 8.378 4.753 -1.269 31 H ASP 7 H ASP 7 9.542 3.105 -2.173 32 HA ASP 7 HA ASP 7 10.199 0.952 -4.103 33 1HB ASP 7 2HB ASP 7 11.914 2.684 -3.480 34 2HB ASP 7 1HB ASP 7 11.879 2.059 -1.832 35 H CYS 8 H CYS 8 8.566 -0.529 -3.286 36 HA CYS 8 HA CYS 8 8.675 -1.422 -0.498 37 1HB CYS 8 2HB CYS 8 7.267 -2.659 -2.881 38 2HB CYS 8 1HB CYS 8 6.977 -3.046 -1.186 39 H SER 9 H SER 9 11.233 -1.733 -1.808 40 HA SER 9 HA SER 9 11.478 -4.555 -2.559 41 1HB SER 9 2HB SER 9 13.073 -3.330 -3.704 42 2HB SER 9 1HB SER 9 13.318 -2.205 -2.371 43 HG SER 9 HG SER 9 15.076 -3.662 -2.640 44 H GLU 10 H GLU 10 11.191 -2.927 0.347 45 HA GLU 10 HA GLU 10 12.978 -4.783 1.829 46 1HB GLU 10 2HB GLU 10 11.252 -2.676 3.109 47 2HB GLU 10 1HB GLU 10 12.808 -3.312 3.647 48 1HG GLU 10 2HG GLU 10 13.873 -2.248 1.640 49 2HG GLU 10 1HG GLU 10 12.317 -1.506 1.261 50 H TYR 11 H TYR 11 10.167 -5.224 0.489 51 HA TYR 11 HA TYR 11 8.790 -6.342 2.891 52 1HB TYR 11 2HB TYR 11 7.855 -5.451 0.165 53 2HB TYR 11 1HB TYR 11 6.865 -6.541 1.135 54 HD1 TYR 11 1HD TYR 11 5.467 -5.674 2.824 55 HD2 TYR 11 2HD TYR 11 8.713 -3.291 1.325 56 HE1 TYR 11 1HE TYR 11 4.676 -3.745 4.173 57 HE2 TYR 11 2HE TYR 11 7.921 -1.365 2.669 58 HH TYR 11 HH TYR 11 6.045 -1.517 5.171 59 HA PRO 12 HA PRO 12 6.734 -7.620 2.571 60 1HB PRO 12 2HB PRO 12 6.231 -9.969 3.900 61 2HB PRO 12 1HB PRO 12 5.673 -9.637 2.252 62 1HG PRO 12 2HG PRO 12 7.913 -11.390 3.161 63 2HG PRO 12 1HG PRO 12 6.906 -11.519 1.710 64 1HD PRO 12 2HD PRO 12 9.533 -10.498 1.790 65 2HD PRO 12 1HD PRO 12 8.377 -10.279 0.459 66 H LYS 13 H LYS 13 6.291 -7.337 4.900 67 HA LYS 13 HA LYS 13 8.795 -7.456 6.523 68 1HB LYS 13 2HB LYS 13 6.408 -5.779 7.254 69 2HB LYS 13 1HB LYS 13 8.109 -5.509 7.629 70 1HG LYS 13 2HG LYS 13 7.130 -5.451 4.777 71 2HG LYS 13 1HG LYS 13 7.018 -4.024 5.803 72 1HD LYS 13 2HD LYS 13 9.621 -5.510 5.619 73 2HD LYS 13 1HD LYS 13 9.164 -4.390 4.337 74 1HE LYS 13 2HE LYS 13 9.306 -2.540 5.706 75 2HE LYS 13 1HE LYS 13 8.882 -3.449 7.157 76 1HZ LYS 13 1HZ LYS 13 11.290 -2.668 6.862 77 2HZ LYS 13 2HZ LYS 13 11.428 -3.950 5.755 78 3HZ LYS 13 3HZ LYS 13 11.021 -4.263 7.374 79 HA PRO 14 HA PRO 14 6.811 -10.155 9.367 80 1HB PRO 14 2HB PRO 14 7.944 -9.328 11.728 81 2HB PRO 14 1HB PRO 14 8.816 -10.256 10.495 82 1HG PRO 14 2HG PRO 14 9.052 -7.367 11.182 83 2HG PRO 14 1HG PRO 14 10.247 -8.446 10.443 84 1HD PRO 14 2HD PRO 14 8.657 -6.530 9.082 85 2HD PRO 14 1HD PRO 14 9.635 -7.808 8.330 86 H ALA 15 H ALA 15 5.741 -7.116 9.070 87 HA ALA 15 HA ALA 15 3.353 -7.398 10.482 88 1HB ALA 15 1HB ALA 15 4.354 -7.466 12.602 89 2HB ALA 15 2HB ALA 15 3.933 -5.762 12.437 90 3HB ALA 15 3HB ALA 15 5.592 -6.291 12.160 91 H CYS 16 H CYS 16 2.665 -4.903 11.288 92 HA CYS 16 HA CYS 16 3.577 -3.069 9.117 93 1HB CYS 16 2HB CYS 16 0.741 -3.811 9.858 94 2HB CYS 16 1HB CYS 16 1.119 -2.315 9.005 95 H THR 17 H THR 17 3.228 -0.791 9.627 96 HA THR 17 HA THR 17 3.617 -0.238 12.471 97 HB THR 17 HB THR 17 3.331 2.219 11.316 98 HG1 THR 17 1HG THR 17 3.936 2.122 9.238 99 1HG2 THR 17 1HG2 THR 17 5.683 2.331 11.384 100 2HG2 THR 17 2HG2 THR 17 5.866 0.632 10.945 101 3HG2 THR 17 3HG2 THR 17 5.295 1.071 12.554 102 H MET 18 H MET 18 2.265 1.550 13.514 103 HA MET 18 HA MET 18 -0.595 0.942 13.012 104 1HB MET 18 2HB MET 18 0.679 2.516 15.270 105 2HB MET 18 1HB MET 18 -0.995 1.961 15.193 106 1HG MET 18 2HG MET 18 -0.334 0.052 16.184 107 2HG MET 18 1HG MET 18 0.574 -0.327 14.721 108 1HE MET 18 1HE MET 18 1.748 -1.638 17.252 109 2HE MET 18 2HE MET 18 0.670 -0.520 18.084 110 3HE MET 18 3HE MET 18 2.384 -0.546 18.490 111 H GLU 19 H GLU 19 1.291 2.868 11.466 112 HA GLU 19 HA GLU 19 0.230 5.521 11.937 113 1HB GLU 19 2HB GLU 19 2.351 5.386 10.841 114 2HB GLU 19 1HB GLU 19 1.730 4.266 9.627 115 1HG GLU 19 2HG GLU 19 0.674 5.925 8.430 116 2HG GLU 19 1HG GLU 19 0.378 6.914 9.861 117 H TYR 20 H TYR 20 -1.498 6.545 10.905 118 HA TYR 20 HA TYR 20 -3.400 4.742 9.541 119 1HB TYR 20 2HB TYR 20 -3.858 6.657 11.355 120 2HB TYR 20 1HB TYR 20 -3.989 7.636 9.895 121 HD1 TYR 20 1HD TYR 20 -5.227 6.112 7.898 122 HD2 TYR 20 2HD TYR 20 -5.937 5.942 12.132 123 HE1 TYR 20 1HE TYR 20 -7.495 5.202 7.480 124 HE2 TYR 20 2HE TYR 20 -8.207 5.033 11.714 125 HH TYR 20 HH TYR 20 -9.274 4.187 8.450 126 H ARG 21 H ARG 21 -3.205 4.535 7.392 127 HA ARG 21 HA ARG 21 -2.879 6.965 5.736 128 1HB ARG 21 2HB ARG 21 -0.858 4.833 6.059 129 2HB ARG 21 1HB ARG 21 -1.233 5.253 4.386 130 1HG ARG 21 2HG ARG 21 -0.832 7.501 6.305 131 2HG ARG 21 1HG ARG 21 0.598 6.604 5.798 132 1HD ARG 21 2HD ARG 21 -1.346 7.439 3.688 133 2HD ARG 21 1HD ARG 21 -0.300 8.676 4.383 134 HE ARG 21 HE ARG 21 0.574 6.926 2.415 135 1HH1 ARG 21 1HH1 ARG 21 2.260 8.945 4.035 136 2HH1 ARG 21 2HH1 ARG 21 3.525 7.908 4.604 137 1HH2 ARG 21 1HH2 ARG 21 1.820 4.979 3.877 138 2HH2 ARG 21 2HH2 ARG 21 3.274 5.666 4.520 139 HA PRO 22 HA PRO 22 -5.986 4.228 3.898 140 1HB PRO 22 2HB PRO 22 -7.438 6.299 2.815 141 2HB PRO 22 1HB PRO 22 -7.641 5.725 4.480 142 1HG PRO 22 2HG PRO 22 -6.293 8.200 3.499 143 2HG PRO 22 1HG PRO 22 -7.075 7.889 5.058 144 1HD PRO 22 2HD PRO 22 -4.290 7.882 4.585 145 2HD PRO 22 1HD PRO 22 -5.102 7.226 6.023 146 H LEU 23 H LEU 23 -4.828 3.312 2.186 147 HA LEU 23 HA LEU 23 -4.196 5.101 -0.128 148 1HB LEU 23 2HB LEU 23 -2.945 2.483 0.756 149 2HB LEU 23 1HB LEU 23 -2.546 3.308 -0.751 150 HG LEU 23 HG LEU 23 -2.244 4.462 2.039 151 1HD1 LEU 23 1HD1 LEU 23 -0.590 2.680 1.329 152 2HD1 LEU 23 2HD1 LEU 23 0.128 4.251 1.685 153 3HD1 LEU 23 3HD1 LEU 23 -0.109 3.747 0.012 154 1HD2 LEU 23 1HD2 LEU 23 -2.072 5.602 -0.714 155 2HD2 LEU 23 2HD2 LEU 23 -0.860 6.130 0.452 156 3HD2 LEU 23 3HD2 LEU 23 -2.573 6.373 0.791 157 H CYS 24 H CYS 24 -5.565 4.837 -1.825 158 HA CYS 24 HA CYS 24 -7.226 2.398 -1.978 159 1HB CYS 24 2HB CYS 24 -8.076 4.787 -2.406 160 2HB CYS 24 1HB CYS 24 -7.207 4.696 -3.938 161 H GLY 25 H GLY 25 -5.784 0.757 -2.681 162 1HA GLY 25 2HA GLY 25 -3.788 1.022 -4.661 163 2HA GLY 25 1HA GLY 25 -4.631 -0.486 -4.311 164 H SER 26 H SER 26 -3.810 0.557 -6.946 165 HA SER 26 HA SER 26 -5.873 1.721 -8.454 166 1HB SER 26 2HB SER 26 -3.458 0.378 -9.000 167 2HB SER 26 1HB SER 26 -4.690 -0.449 -9.946 168 HG SER 26 HG SER 26 -5.108 1.371 -11.023 169 H ASP 27 H ASP 27 -5.908 -1.351 -6.894 170 HA ASP 27 HA ASP 27 -7.872 -2.563 -8.681 171 1HB ASP 27 2HB ASP 27 -7.883 -4.395 -7.151 172 2HB ASP 27 1HB ASP 27 -6.215 -3.824 -7.204 173 H ASN 28 H ASN 28 -8.327 0.093 -7.058 174 HA ASN 28 HA ASN 28 -10.202 1.151 -6.146 175 1HB ASN 28 2HB ASN 28 -11.188 -0.669 -7.981 176 2HB ASN 28 1HB ASN 28 -12.050 -1.103 -6.504 177 1HD2 ASN 28 1HD2 ASN 28 -11.993 1.651 -5.396 178 2HD2 ASN 28 2HD2 ASN 28 -13.091 2.556 -6.321 179 H LYS 29 H LYS 29 -8.480 -0.324 -4.407 180 HA LYS 29 HA LYS 29 -10.488 -1.182 -2.367 181 1HB LYS 29 2HB LYS 29 -9.315 -3.158 -3.281 182 2HB LYS 29 1HB LYS 29 -7.769 -2.434 -2.833 183 1HG LYS 29 2HG LYS 29 -7.983 -3.137 -0.706 184 2HG LYS 29 1HG LYS 29 -9.583 -2.405 -0.576 185 1HD LYS 29 2HD LYS 29 -10.672 -4.357 -1.090 186 2HD LYS 29 1HD LYS 29 -9.397 -4.902 -2.181 187 1HE LYS 29 2HE LYS 29 -7.982 -5.521 -0.310 188 2HE LYS 29 1HE LYS 29 -9.126 -4.825 0.838 189 1HZ LYS 29 1HZ LYS 29 -9.403 -7.203 0.722 190 2HZ LYS 29 2HZ LYS 29 -9.628 -7.135 -0.961 191 3HZ LYS 29 3HZ LYS 29 -10.777 -6.443 0.080 192 H THR 30 H THR 30 -10.140 -0.430 -0.289 193 HA THR 30 HA THR 30 -8.159 1.729 -0.021 194 HB THR 30 HB THR 30 -10.222 0.654 1.929 195 HG1 THR 30 1HG THR 30 -10.885 1.755 -0.082 196 1HG2 THR 30 1HG2 THR 30 -8.003 2.052 2.608 197 2HG2 THR 30 2HG2 THR 30 -9.546 2.221 3.446 198 3HG2 THR 30 3HG2 THR 30 -9.089 3.381 2.197 199 H TYR 31 H TYR 31 -6.383 1.669 1.401 200 HA TYR 31 HA TYR 31 -5.741 -1.007 2.538 201 1HB TYR 31 2HB TYR 31 -3.901 1.141 1.479 202 2HB TYR 31 1HB TYR 31 -3.394 -0.392 2.163 203 HD1 TYR 31 1HD TYR 31 -5.864 -1.928 0.958 204 HD2 TYR 31 2HD TYR 31 -2.879 0.675 -0.702 205 HE1 TYR 31 1HE TYR 31 -6.156 -3.003 -1.254 206 HE2 TYR 31 2HE TYR 31 -3.171 -0.406 -2.914 207 HH TYR 31 HH TYR 31 -4.020 -2.294 -3.939 208 H GLY 32 H GLY 32 -4.347 -0.920 4.461 209 1HA GLY 32 2HA GLY 32 -5.356 1.062 6.352 210 2HA GLY 32 1HA GLY 32 -4.260 -0.267 6.732 211 H ASN 33 H ASN 33 -2.454 0.574 4.463 212 HA ASN 33 HA ASN 33 -1.517 3.209 4.743 213 1HB ASN 33 2HB ASN 33 0.366 2.927 6.340 214 2HB ASN 33 1HB ASN 33 -1.198 2.753 7.125 215 1HD2 ASN 33 1HD2 ASN 33 0.513 1.527 8.655 216 2HD2 ASN 33 2HD2 ASN 33 0.633 -0.144 8.383 217 H LYS 34 H LYS 34 1.184 2.985 4.666 218 HA LYS 34 HA LYS 34 1.678 1.912 2.061 219 1HB LYS 34 2HB LYS 34 2.971 3.790 2.848 220 2HB LYS 34 1HB LYS 34 3.548 2.874 4.239 221 1HG LYS 34 2HG LYS 34 4.843 1.410 2.848 222 2HG LYS 34 1HG LYS 34 4.091 2.037 1.382 223 1HD LYS 34 2HD LYS 34 6.316 3.024 1.654 224 2HD LYS 34 1HD LYS 34 5.082 4.268 1.855 225 1HE LYS 34 2HE LYS 34 6.797 4.452 3.615 226 2HE LYS 34 1HE LYS 34 5.234 4.021 4.309 227 1HZ LYS 34 1HZ LYS 34 5.905 1.727 4.384 228 2HZ LYS 34 2HZ LYS 34 7.064 2.673 5.190 229 3HZ LYS 34 3HZ LYS 34 7.379 2.084 3.627 230 H CYS 35 H CYS 35 1.810 0.449 5.213 231 HA CYS 35 HA CYS 35 3.727 -1.617 4.494 232 1HB CYS 35 2HB CYS 35 3.324 -1.061 6.856 233 2HB CYS 35 1HB CYS 35 1.639 -1.562 6.699 234 H ASN 36 H ASN 36 0.183 -1.387 4.599 235 HA ASN 36 HA ASN 36 -0.219 -4.110 3.667 236 1HB ASN 36 2HB ASN 36 -1.802 -2.092 4.776 237 2HB ASN 36 1HB ASN 36 -2.397 -2.251 3.126 238 1HD2 ASN 36 1HD2 ASN 36 -2.284 -3.772 6.247 239 2HD2 ASN 36 2HD2 ASN 36 -3.141 -5.176 5.828 240 H PHE 37 H PHE 37 0.558 -1.102 2.226 241 HA PHE 37 HA PHE 37 -0.517 -1.723 -0.427 242 1HB PHE 37 2HB PHE 37 -0.252 0.621 0.450 243 2HB PHE 37 1HB PHE 37 1.496 0.400 0.373 244 HD1 PHE 37 1HD PHE 37 2.586 1.120 -1.556 245 HD2 PHE 37 2HD PHE 37 -1.513 -0.125 -1.812 246 HE1 PHE 37 1HE PHE 37 2.558 1.701 -3.966 247 HE2 PHE 37 2HE PHE 37 -1.546 0.460 -4.223 248 HZ PHE 37 HZ PHE 37 0.495 1.370 -5.299 249 H CYS 38 H CYS 38 2.675 -1.752 1.153 250 HA CYS 38 HA CYS 38 4.081 -2.549 -1.259 251 1HB CYS 38 2HB CYS 38 4.813 -2.489 1.667 252 2HB CYS 38 1HB CYS 38 5.907 -3.154 0.459 253 H ASN 39 H ASN 39 2.641 -4.248 1.481 254 HA ASN 39 HA ASN 39 3.710 -6.834 0.673 255 1HB ASN 39 2HB ASN 39 2.096 -5.773 2.858 256 2HB ASN 39 1HB ASN 39 1.448 -7.297 2.257 257 1HD2 ASN 39 1HD2 ASN 39 3.223 -6.432 4.740 258 2HD2 ASN 39 2HD2 ASN 39 4.431 -7.625 4.753 259 H ALA 40 H ALA 40 0.586 -5.178 0.366 260 HA ALA 40 HA ALA 40 -0.760 -7.290 -1.018 261 1HB ALA 40 1HB ALA 40 -1.133 -4.292 -1.346 262 2HB ALA 40 2HB ALA 40 -1.921 -5.275 -0.112 263 3HB ALA 40 3HB ALA 40 -2.289 -5.538 -1.817 264 H VAL 41 H VAL 41 1.739 -5.097 -1.896 265 HA VAL 41 HA VAL 41 1.352 -5.394 -4.790 266 HB VAL 41 HB VAL 41 3.532 -4.151 -3.096 267 1HG1 VAL 41 1HG1 VAL 41 4.343 -3.261 -5.342 268 2HG1 VAL 41 2HG1 VAL 41 3.316 -4.480 -6.098 269 3HG1 VAL 41 3HG1 VAL 41 4.647 -4.973 -5.050 270 1HG2 VAL 41 1HG2 VAL 41 2.532 -2.124 -3.588 271 2HG2 VAL 41 2HG2 VAL 41 1.103 -3.158 -3.614 272 3HG2 VAL 41 3HG2 VAL 41 1.888 -2.697 -5.126 273 H VAL 42 H VAL 42 3.328 -6.817 -2.225 274 HA VAL 42 HA VAL 42 5.047 -8.271 -4.076 275 HB VAL 42 HB VAL 42 4.498 -8.811 -1.142 276 1HG1 VAL 42 1HG1 VAL 42 7.139 -9.474 -1.978 277 2HG1 VAL 42 2HG1 VAL 42 6.027 -10.189 -3.145 278 3HG1 VAL 42 3HG1 VAL 42 5.872 -10.572 -1.430 279 1HG2 VAL 42 1HG2 VAL 42 7.022 -7.618 -1.520 280 2HG2 VAL 42 2HG2 VAL 42 5.606 -6.877 -0.776 281 3HG2 VAL 42 3HG2 VAL 42 5.905 -6.669 -2.502 282 H GLU 43 H GLU 43 1.940 -8.839 -2.585 283 HA GLU 43 HA GLU 43 1.952 -11.706 -3.199 284 1HB GLU 43 2HB GLU 43 -0.324 -9.882 -2.353 285 2HB GLU 43 1HB GLU 43 -0.382 -11.644 -2.405 286 1HG GLU 43 2HG GLU 43 1.875 -11.207 -0.902 287 2HG GLU 43 1HG GLU 43 0.847 -9.866 -0.402 288 H SER 44 H SER 44 0.509 -8.745 -4.535 289 HA SER 44 HA SER 44 -0.931 -10.146 -6.630 290 1HB SER 44 2HB SER 44 -0.838 -7.509 -5.630 291 2HB SER 44 1HB SER 44 -0.312 -7.400 -7.308 292 HG SER 44 HG SER 44 -2.722 -8.424 -6.243 293 H ASN 45 H ASN 45 2.340 -9.452 -6.155 294 HA ASN 45 HA ASN 45 4.200 -9.721 -7.541 295 1HB ASN 45 2HB ASN 45 2.016 -11.184 -8.917 296 2HB ASN 45 1HB ASN 45 3.428 -10.781 -9.889 297 1HD2 ASN 45 1HD2 ASN 45 3.826 -13.210 -9.873 298 2HD2 ASN 45 2HD2 ASN 45 4.616 -13.887 -8.532 299 H GLY 46 H GLY 46 2.583 -7.236 -7.634 300 1HA GLY 46 2HA GLY 46 3.206 -5.241 -8.854 301 2HA GLY 46 1HA GLY 46 3.633 -6.254 -10.233 302 H THR 47 H THR 47 0.831 -7.571 -9.277 303 HA THR 47 HA THR 47 -0.677 -6.192 -11.375 304 HB THR 47 HB THR 47 -2.481 -7.823 -10.739 305 HG1 THR 47 1HG THR 47 -2.044 -9.297 -9.157 306 1HG2 THR 47 1HG2 THR 47 -0.949 -8.488 -12.461 307 2HG2 THR 47 2HG2 THR 47 -1.111 -9.865 -11.373 308 3HG2 THR 47 3HG2 THR 47 0.318 -8.836 -11.285 309 H LEU 48 H LEU 48 -0.073 -5.512 -8.172 310 HA LEU 48 HA LEU 48 -2.689 -4.086 -7.890 311 1HB LEU 48 2HB LEU 48 -2.397 -5.848 -6.186 312 2HB LEU 48 1HB LEU 48 -0.855 -5.138 -5.712 313 HG LEU 48 HG LEU 48 -2.982 -3.151 -5.734 314 1HD1 LEU 48 1HD1 LEU 48 -3.619 -4.532 -3.380 315 2HD1 LEU 48 2HD1 LEU 48 -3.602 -5.772 -4.634 316 3HD1 LEU 48 3HD1 LEU 48 -4.646 -4.361 -4.803 317 1HD2 LEU 48 1HD2 LEU 48 -0.588 -3.384 -4.568 318 2HD2 LEU 48 2HD2 LEU 48 -1.561 -4.070 -3.269 319 3HD2 LEU 48 3HD2 LEU 48 -1.876 -2.430 -3.834 320 H THR 49 H THR 49 -2.083 -2.073 -8.704 321 HA THR 49 HA THR 49 0.421 -0.853 -7.668 322 HB THR 49 HB THR 49 0.453 0.467 -9.543 323 HG1 THR 49 1HG THR 49 -1.745 0.855 -10.600 324 1HG2 THR 49 1HG2 THR 49 -0.017 -0.843 -11.402 325 2HG2 THR 49 2HG2 THR 49 -1.553 -1.411 -10.742 326 3HG2 THR 49 3HG2 THR 49 -0.033 -2.060 -10.124 327 H LEU 50 H LEU 50 -0.594 1.830 -8.090 328 HA LEU 50 HA LEU 50 -2.257 2.091 -5.624 329 1HB LEU 50 2HB LEU 50 -0.106 3.125 -5.308 330 2HB LEU 50 1HB LEU 50 -0.192 3.920 -6.879 331 HG LEU 50 HG LEU 50 -2.504 4.590 -5.265 332 1HD1 LEU 50 1HD1 LEU 50 -1.439 4.583 -3.245 333 2HD1 LEU 50 2HD1 LEU 50 -0.789 6.116 -3.827 334 3HD1 LEU 50 3HD1 LEU 50 0.165 4.639 -3.976 335 1HD2 LEU 50 1HD2 LEU 50 -0.904 5.711 -7.243 336 2HD2 LEU 50 2HD2 LEU 50 -0.533 6.682 -5.819 337 3HD2 LEU 50 3HD2 LEU 50 -2.199 6.541 -6.379 338 H SER 51 H SER 51 -4.001 3.607 -5.693 339 HA SER 51 HA SER 51 -4.843 4.353 -8.461 340 1HB SER 51 2HB SER 51 -6.222 2.711 -6.891 341 2HB SER 51 1HB SER 51 -6.784 4.221 -6.182 342 HG SER 51 HG SER 51 -8.064 4.331 -7.836 343 H HIS 52 H HIS 52 -4.657 5.428 -5.085 344 HA HIS 52 HA HIS 52 -4.035 8.094 -5.716 345 1HB HIS 52 2HB HIS 52 -6.015 9.284 -5.785 346 2HB HIS 52 1HB HIS 52 -6.575 7.780 -6.506 347 HD1 HIS 52 1HD HIS 52 -8.049 6.211 -5.014 348 HD2 HIS 52 2HD HIS 52 -7.034 9.823 -3.197 349 HE1 HIS 52 1HE HIS 52 -9.514 6.423 -2.956 350 H PHE 53 H PHE 53 -2.832 8.390 -3.938 351 HA PHE 53 HA PHE 53 -2.901 7.114 -1.502 352 1HB PHE 53 2HB PHE 53 -2.334 10.066 -1.906 353 2HB PHE 53 1HB PHE 53 -1.783 9.078 -0.558 354 HD1 PHE 53 1HD PHE 53 -1.198 10.041 -4.001 355 HD2 PHE 53 2HD PHE 53 -0.215 7.150 -0.981 356 HE1 PHE 53 1HE PHE 53 0.773 9.330 -5.324 357 HE2 PHE 53 2HE PHE 53 1.758 6.438 -2.305 358 HZ PHE 53 HZ PHE 53 2.253 7.530 -4.477 359 H GLY 54 H GLY 54 -5.024 6.711 -0.746 360 1HA GLY 54 2HA GLY 54 -6.213 8.152 1.195 361 2HA GLY 54 1HA GLY 54 -6.816 8.998 -0.233 362 H LYS 55 H LYS 55 -8.439 7.477 1.644 363 HA LYS 55 HA LYS 55 -9.059 4.879 0.579 364 1HB LYS 55 2HB LYS 55 -10.990 4.938 1.993 365 2HB LYS 55 1HB LYS 55 -9.722 5.799 2.865 366 1HG LYS 55 2HG LYS 55 -10.631 7.949 1.940 367 2HG LYS 55 1HG LYS 55 -11.972 7.033 1.253 368 1HD LYS 55 2HD LYS 55 -11.423 6.560 4.131 369 2HD LYS 55 1HD LYS 55 -12.061 8.151 3.720 370 1HE LYS 55 2HE LYS 55 -13.984 7.182 2.632 371 2HE LYS 55 1HE LYS 55 -13.308 5.559 2.770 372 1HZ LYS 55 1HZ LYS 55 -14.649 7.180 4.759 373 2HZ LYS 55 2HZ LYS 55 -13.264 6.366 5.315 374 3HZ LYS 55 3HZ LYS 55 -14.545 5.493 4.622 375 H CYS 56 H CYS 56 -10.911 4.288 -0.727 376 HA CYS 56 HA CYS 56 -11.570 6.379 -2.723 377 1HB CYS 56 2HB CYS 56 -11.609 3.388 -2.668 378 2HB CYS 56 1HB CYS 56 -12.721 4.213 -3.764 Start of MODEL 7 1 1H ALA 3 1HT ALA 3 8.080 7.797 -6.812 2 2H ALA 3 2HT ALA 3 7.914 9.020 -7.977 3 3H ALA 3 3HT ALA 3 9.444 8.359 -7.646 4 HA ALA 3 HA ALA 3 8.476 7.525 -9.740 5 1HB ALA 3 1HB ALA 3 8.798 5.084 -9.125 6 2HB ALA 3 2HB ALA 3 8.947 5.603 -7.446 7 3HB ALA 3 3HB ALA 3 10.120 6.149 -8.645 8 H VAL 4 H VAL 4 6.990 5.538 -7.195 9 HA VAL 4 HA VAL 4 4.403 5.794 -8.675 10 HB VAL 4 HB VAL 4 5.544 3.504 -8.541 11 1HG1 VAL 4 1HG1 VAL 4 5.540 2.334 -6.473 12 2HG1 VAL 4 2HG1 VAL 4 4.505 3.535 -5.703 13 3HG1 VAL 4 3HG1 VAL 4 6.181 3.928 -6.083 14 1HG2 VAL 4 1HG2 VAL 4 3.119 2.769 -7.291 15 2HG2 VAL 4 2HG2 VAL 4 3.424 2.909 -9.022 16 3HG2 VAL 4 3HG2 VAL 4 2.794 4.289 -8.123 17 H SER 5 H SER 5 5.324 7.656 -6.647 18 HA SER 5 HA SER 5 4.158 8.849 -4.965 19 1HB SER 5 2HB SER 5 2.171 7.285 -5.802 20 2HB SER 5 1HB SER 5 2.470 6.484 -4.263 21 HG SER 5 HG SER 5 2.423 8.767 -3.425 22 H VAL 6 H VAL 6 4.433 5.365 -4.116 23 HA VAL 6 HA VAL 6 6.045 6.232 -1.751 24 HB VAL 6 HB VAL 6 5.090 3.868 -0.892 25 1HG1 VAL 6 1HG1 VAL 6 4.725 5.576 0.588 26 2HG1 VAL 6 2HG1 VAL 6 3.078 5.413 -0.020 27 3HG1 VAL 6 3HG1 VAL 6 4.133 6.672 -0.659 28 1HG2 VAL 6 1HG2 VAL 6 2.605 3.884 -1.503 29 2HG2 VAL 6 2HG2 VAL 6 3.706 3.327 -2.762 30 3HG2 VAL 6 3HG2 VAL 6 3.040 4.956 -2.833 31 H ASP 7 H ASP 7 7.584 4.520 -1.010 32 HA ASP 7 HA ASP 7 8.467 2.806 -3.297 33 1HB ASP 7 2HB ASP 7 9.856 4.942 -2.399 34 2HB ASP 7 1HB ASP 7 10.476 3.707 -1.301 35 H CYS 8 H CYS 8 8.854 0.679 -2.801 36 HA CYS 8 HA CYS 8 8.209 -0.231 -0.071 37 1HB CYS 8 2HB CYS 8 8.974 -1.861 -2.514 38 2HB CYS 8 1HB CYS 8 8.225 -2.465 -1.035 39 H SER 9 H SER 9 10.331 1.096 0.413 40 HA SER 9 HA SER 9 12.911 0.565 -0.126 41 1HB SER 9 2HB SER 9 11.491 1.211 2.349 42 2HB SER 9 1HB SER 9 13.027 0.396 2.632 43 HG SER 9 HG SER 9 12.818 2.865 2.216 44 H GLU 10 H GLU 10 11.196 -1.519 2.259 45 HA GLU 10 HA GLU 10 12.802 -3.800 1.235 46 1HB GLU 10 2HB GLU 10 13.326 -4.474 3.592 47 2HB GLU 10 1HB GLU 10 14.114 -2.973 3.105 48 1HG GLU 10 2HG GLU 10 12.873 -1.701 4.540 49 2HG GLU 10 1HG GLU 10 11.417 -2.667 4.296 50 H TYR 11 H TYR 11 10.583 -4.277 0.387 51 HA TYR 11 HA TYR 11 8.804 -5.387 2.518 52 1HB TYR 11 2HB TYR 11 8.262 -4.200 -0.186 53 2HB TYR 11 1HB TYR 11 7.136 -5.383 0.479 54 HD1 TYR 11 1HD TYR 11 5.623 -4.800 2.230 55 HD2 TYR 11 2HD TYR 11 8.816 -2.134 1.161 56 HE1 TYR 11 1HE TYR 11 4.628 -3.033 3.665 57 HE2 TYR 11 2HE TYR 11 7.824 -0.369 2.592 58 HH TYR 11 HH TYR 11 6.286 -0.290 4.616 59 HA PRO 12 HA PRO 12 6.788 -6.465 1.965 60 1HB PRO 12 2HB PRO 12 5.986 -8.853 3.070 61 2HB PRO 12 1HB PRO 12 5.592 -8.356 1.416 62 1HG PRO 12 2HG PRO 12 7.585 -10.371 2.346 63 2HG PRO 12 1HG PRO 12 6.714 -10.282 0.805 64 1HD PRO 12 2HD PRO 12 9.403 -9.513 1.229 65 2HD PRO 12 1HD PRO 12 8.417 -9.116 -0.194 66 H LYS 13 H LYS 13 6.112 -6.506 4.334 67 HA LYS 13 HA LYS 13 8.547 -6.723 6.047 68 1HB LYS 13 2HB LYS 13 6.036 -5.246 6.812 69 2HB LYS 13 1HB LYS 13 7.694 -4.967 7.352 70 1HG LYS 13 2HG LYS 13 8.270 -4.297 4.991 71 2HG LYS 13 1HG LYS 13 6.551 -4.389 4.606 72 1HD LYS 13 2HD LYS 13 6.208 -2.343 5.474 73 2HD LYS 13 1HD LYS 13 6.907 -2.848 7.013 74 1HE LYS 13 2HE LYS 13 9.196 -2.512 5.923 75 2HE LYS 13 1HE LYS 13 8.344 -1.699 4.611 76 1HZ LYS 13 1HZ LYS 13 8.933 -0.008 6.082 77 2HZ LYS 13 2HZ LYS 13 8.510 -0.915 7.457 78 3HZ LYS 13 3HZ LYS 13 7.301 -0.302 6.433 79 HA PRO 14 HA PRO 14 6.645 -9.930 8.363 80 1HB PRO 14 2HB PRO 14 7.962 -9.566 10.748 81 2HB PRO 14 1HB PRO 14 8.716 -10.280 9.312 82 1HG PRO 14 2HG PRO 14 9.091 -7.557 10.469 83 2HG PRO 14 1HG PRO 14 10.207 -8.524 9.490 84 1HD PRO 14 2HD PRO 14 8.630 -6.366 8.558 85 2HD PRO 14 1HD PRO 14 9.487 -7.548 7.546 86 H ALA 15 H ALA 15 6.030 -6.688 8.965 87 HA ALA 15 HA ALA 15 3.602 -7.219 10.404 88 1HB ALA 15 1HB ALA 15 5.901 -6.068 12.014 89 2HB ALA 15 2HB ALA 15 5.113 -7.621 12.289 90 3HB ALA 15 3HB ALA 15 4.223 -6.121 12.552 91 H CYS 16 H CYS 16 2.452 -5.182 10.924 92 HA CYS 16 HA CYS 16 3.526 -2.886 9.330 93 1HB CYS 16 2HB CYS 16 0.662 -3.765 9.805 94 2HB CYS 16 1HB CYS 16 1.114 -2.256 9.015 95 H THR 17 H THR 17 1.692 -0.959 10.219 96 HA THR 17 HA THR 17 2.214 -0.876 13.163 97 HB THR 17 HB THR 17 2.376 1.690 12.721 98 HG1 THR 17 1HG THR 17 2.970 2.227 10.678 99 1HG2 THR 17 1HG2 THR 17 4.821 1.432 12.182 100 2HG2 THR 17 2HG2 THR 17 4.524 -0.284 11.905 101 3HG2 THR 17 3HG2 THR 17 4.270 0.408 13.508 102 H MET 18 H MET 18 0.776 0.938 14.173 103 HA MET 18 HA MET 18 -1.979 0.308 13.518 104 1HB MET 18 2HB MET 18 -2.554 1.724 15.373 105 2HB MET 18 1HB MET 18 -1.080 0.869 15.832 106 1HG MET 18 2HG MET 18 0.028 3.022 14.659 107 2HG MET 18 1HG MET 18 -1.483 3.749 15.204 108 1HE MET 18 1HE MET 18 -0.050 5.144 18.172 109 2HE MET 18 2HE MET 18 -0.780 5.288 16.575 110 3HE MET 18 3HE MET 18 0.969 5.131 16.727 111 H GLU 19 H GLU 19 0.192 2.339 12.035 112 HA GLU 19 HA GLU 19 -1.033 4.787 11.602 113 1HB GLU 19 2HB GLU 19 1.117 4.026 10.563 114 2HB GLU 19 1HB GLU 19 0.178 3.076 9.413 115 1HG GLU 19 2HG GLU 19 0.448 5.035 8.201 116 2HG GLU 19 1HG GLU 19 -1.069 5.387 9.031 117 H TYR 20 H TYR 20 -2.813 5.520 10.483 118 HA TYR 20 HA TYR 20 -4.561 3.428 9.241 119 1HB TYR 20 2HB TYR 20 -5.248 4.915 11.333 120 2HB TYR 20 1HB TYR 20 -5.594 6.097 10.073 121 HD1 TYR 20 1HD TYR 20 -6.199 2.495 10.919 122 HD2 TYR 20 2HD TYR 20 -7.662 6.032 8.970 123 HE1 TYR 20 1HE TYR 20 -8.330 1.333 10.409 124 HE2 TYR 20 2HE TYR 20 -9.794 4.869 8.461 125 HH TYR 20 HH TYR 20 -10.380 1.536 9.576 126 H ARG 21 H ARG 21 -2.511 4.597 7.731 127 HA ARG 21 HA ARG 21 -3.546 6.860 6.220 128 1HB ARG 21 2HB ARG 21 -1.067 6.179 6.598 129 2HB ARG 21 1HB ARG 21 -1.340 5.043 5.279 130 1HG ARG 21 2HG ARG 21 -0.508 7.021 4.244 131 2HG ARG 21 1HG ARG 21 -2.245 7.025 3.944 132 1HD ARG 21 2HD ARG 21 -2.245 8.344 6.278 133 2HD ARG 21 1HD ARG 21 -0.627 8.781 5.727 134 HE ARG 21 HE ARG 21 -2.349 9.216 3.542 135 1HH1 ARG 21 1HH1 ARG 21 -0.607 11.158 5.305 136 2HH1 ARG 21 2HH1 ARG 21 -1.797 12.365 5.655 137 1HH2 ARG 21 1HH2 ARG 21 -4.468 10.401 4.627 138 2HH2 ARG 21 2HH2 ARG 21 -3.989 11.936 5.270 139 HA PRO 22 HA PRO 22 -6.009 4.105 3.694 140 1HB PRO 22 2HB PRO 22 -7.323 6.118 2.366 141 2HB PRO 22 1HB PRO 22 -7.765 5.560 3.990 142 1HG PRO 22 2HG PRO 22 -6.352 8.061 3.184 143 2HG PRO 22 1HG PRO 22 -7.350 7.748 4.613 144 1HD PRO 22 2HD PRO 22 -4.521 7.808 4.547 145 2HD PRO 22 1HD PRO 22 -5.522 7.172 5.872 146 H LEU 23 H LEU 23 -5.045 3.148 1.953 147 HA LEU 23 HA LEU 23 -3.980 4.918 -0.213 148 1HB LEU 23 2HB LEU 23 -2.809 2.469 1.073 149 2HB LEU 23 1HB LEU 23 -2.485 2.772 -0.637 150 HG LEU 23 HG LEU 23 -2.145 5.028 1.306 151 1HD1 LEU 23 1HD1 LEU 23 -0.594 2.515 1.274 152 2HD1 LEU 23 2HD1 LEU 23 -0.707 3.754 2.526 153 3HD1 LEU 23 3HD1 LEU 23 0.381 3.981 1.156 154 1HD2 LEU 23 1HD2 LEU 23 -1.871 5.513 -1.047 155 2HD2 LEU 23 2HD2 LEU 23 -0.812 4.121 -1.262 156 3HD2 LEU 23 3HD2 LEU 23 -0.265 5.508 -0.320 157 H CYS 24 H CYS 24 -5.370 4.701 -1.919 158 HA CYS 24 HA CYS 24 -6.934 2.216 -2.203 159 1HB CYS 24 2HB CYS 24 -7.931 4.510 -2.568 160 2HB CYS 24 1HB CYS 24 -6.928 4.645 -4.014 161 H GLY 25 H GLY 25 -5.327 0.698 -2.846 162 1HA GLY 25 2HA GLY 25 -3.345 1.044 -4.808 163 2HA GLY 25 1HA GLY 25 -4.112 -0.504 -4.454 164 H SER 26 H SER 26 -3.325 0.681 -7.089 165 HA SER 26 HA SER 26 -5.489 1.652 -8.587 166 1HB SER 26 2HB SER 26 -4.346 0.223 -10.479 167 2HB SER 26 1HB SER 26 -3.482 1.581 -9.763 168 HG SER 26 HG SER 26 -2.950 -1.092 -9.663 169 H ASP 27 H ASP 27 -5.175 -1.452 -7.113 170 HA ASP 27 HA ASP 27 -7.057 -2.770 -8.945 171 1HB ASP 27 2HB ASP 27 -6.736 -4.719 -7.614 172 2HB ASP 27 1HB ASP 27 -5.159 -3.936 -7.687 173 H ASN 28 H ASN 28 -7.778 -0.331 -7.215 174 HA ASN 28 HA ASN 28 -9.682 0.415 -6.073 175 1HB ASN 28 2HB ASN 28 -10.652 -1.133 -7.991 176 2HB ASN 28 1HB ASN 28 -11.057 -2.188 -6.638 177 1HD2 ASN 28 1HD2 ASN 28 -12.358 0.258 -8.488 178 2HD2 ASN 28 2HD2 ASN 28 -13.446 0.910 -7.360 179 H LYS 29 H LYS 29 -7.658 -0.918 -4.532 180 HA LYS 29 HA LYS 29 -9.382 -2.270 -2.484 181 1HB LYS 29 2HB LYS 29 -6.857 -3.077 -3.677 182 2HB LYS 29 1HB LYS 29 -6.731 -2.960 -1.922 183 1HG LYS 29 2HG LYS 29 -9.222 -4.223 -2.821 184 2HG LYS 29 1HG LYS 29 -7.777 -5.115 -3.295 185 1HD LYS 29 2HD LYS 29 -7.083 -4.579 -0.767 186 2HD LYS 29 1HD LYS 29 -8.836 -4.533 -0.565 187 1HE LYS 29 2HE LYS 29 -8.878 -6.776 -1.814 188 2HE LYS 29 1HE LYS 29 -7.133 -6.825 -1.561 189 1HZ LYS 29 1HZ LYS 29 -9.208 -7.415 0.266 190 2HZ LYS 29 2HZ LYS 29 -8.265 -6.137 0.868 191 3HZ LYS 29 3HZ LYS 29 -7.535 -7.614 0.454 192 H THR 30 H THR 30 -9.444 -1.303 -0.505 193 HA THR 30 HA THR 30 -7.817 1.125 -0.105 194 HB THR 30 HB THR 30 -10.139 -0.129 1.364 195 HG1 THR 30 1HG THR 30 -11.076 1.244 0.107 196 1HG2 THR 30 1HG2 THR 30 -9.993 1.712 2.997 197 2HG2 THR 30 2HG2 THR 30 -8.488 2.254 2.255 198 3HG2 THR 30 3HG2 THR 30 -8.556 0.691 3.070 199 H TYR 31 H TYR 31 -6.025 1.184 1.178 200 HA TYR 31 HA TYR 31 -5.394 -1.252 2.777 201 1HB TYR 31 2HB TYR 31 -3.663 0.729 1.297 202 2HB TYR 31 1HB TYR 31 -3.008 -0.388 2.489 203 HD1 TYR 31 1HD TYR 31 -2.992 -0.071 -0.810 204 HD2 TYR 31 2HD TYR 31 -4.584 -2.813 2.084 205 HE1 TYR 31 1HE TYR 31 -2.992 -1.868 -2.517 206 HE2 TYR 31 2HE TYR 31 -4.583 -4.613 0.381 207 HH TYR 31 HH TYR 31 -4.640 -4.331 -2.584 208 H GLY 32 H GLY 32 -4.286 -0.877 4.826 209 1HA GLY 32 2HA GLY 32 -5.348 1.462 6.224 210 2HA GLY 32 1HA GLY 32 -4.399 0.166 6.951 211 H ASN 33 H ASN 33 -2.323 0.552 4.743 212 HA ASN 33 HA ASN 33 -1.287 3.215 4.981 213 1HB ASN 33 2HB ASN 33 0.695 2.572 6.455 214 2HB ASN 33 1HB ASN 33 -0.853 2.742 7.283 215 1HD2 ASN 33 1HD2 ASN 33 0.004 1.223 8.960 216 2HD2 ASN 33 2HD2 ASN 33 0.016 -0.445 8.649 217 H LYS 34 H LYS 34 1.304 2.992 4.580 218 HA LYS 34 HA LYS 34 1.544 1.778 1.992 219 1HB LYS 34 2HB LYS 34 3.733 2.646 1.954 220 2HB LYS 34 1HB LYS 34 2.871 3.767 3.004 221 1HG LYS 34 2HG LYS 34 3.658 2.070 4.895 222 2HG LYS 34 1HG LYS 34 4.911 1.696 3.713 223 1HD LYS 34 2HD LYS 34 5.572 4.039 3.603 224 2HD LYS 34 1HD LYS 34 4.253 4.490 4.683 225 1HE LYS 34 2HE LYS 34 6.354 4.336 5.941 226 2HE LYS 34 1HE LYS 34 5.242 3.072 6.461 227 1HZ LYS 34 1HZ LYS 34 7.351 2.076 6.148 228 2HZ LYS 34 2HZ LYS 34 7.553 2.798 4.623 229 3HZ LYS 34 3HZ LYS 34 6.387 1.582 4.844 230 H CYS 35 H CYS 35 1.851 0.485 5.154 231 HA CYS 35 HA CYS 35 3.774 -1.594 4.510 232 1HB CYS 35 2HB CYS 35 3.351 -0.906 6.843 233 2HB CYS 35 1HB CYS 35 1.686 -1.477 6.709 234 H ASN 36 H ASN 36 0.239 -1.344 4.573 235 HA ASN 36 HA ASN 36 -0.100 -4.117 3.690 236 1HB ASN 36 2HB ASN 36 -1.699 -2.203 4.972 237 2HB ASN 36 1HB ASN 36 -2.415 -2.390 3.374 238 1HD2 ASN 36 1HD2 ASN 36 -1.519 -4.174 6.325 239 2HD2 ASN 36 2HD2 ASN 36 -2.501 -5.524 6.010 240 H PHE 37 H PHE 37 0.681 -1.182 2.233 241 HA PHE 37 HA PHE 37 -0.702 -1.720 -0.315 242 1HB PHE 37 2HB PHE 37 -0.425 0.608 0.513 243 2HB PHE 37 1HB PHE 37 1.325 0.414 0.423 244 HD1 PHE 37 1HD PHE 37 2.174 1.629 -1.379 245 HD2 PHE 37 2HD PHE 37 -1.473 -0.586 -1.861 246 HE1 PHE 37 1HE PHE 37 2.119 2.238 -3.783 247 HE2 PHE 37 2HE PHE 37 -1.529 0.022 -4.260 248 HZ PHE 37 HZ PHE 37 0.267 1.433 -5.224 249 H CYS 38 H CYS 38 2.695 -1.355 0.745 250 HA CYS 38 HA CYS 38 3.801 -2.355 -1.707 251 1HB CYS 38 2HB CYS 38 4.832 -1.872 1.067 252 2HB CYS 38 1HB CYS 38 5.808 -2.838 -0.040 253 H ASN 39 H ASN 39 2.542 -3.850 1.182 254 HA ASN 39 HA ASN 39 3.692 -6.477 0.640 255 1HB ASN 39 2HB ASN 39 1.952 -5.268 2.667 256 2HB ASN 39 1HB ASN 39 1.431 -6.890 2.214 257 1HD2 ASN 39 1HD2 ASN 39 2.156 -7.735 4.315 258 2HD2 ASN 39 2HD2 ASN 39 3.808 -7.952 4.641 259 H ALA 40 H ALA 40 0.493 -4.981 0.217 260 HA ALA 40 HA ALA 40 -0.738 -7.222 -1.052 261 1HB ALA 40 1HB ALA 40 -1.642 -4.794 -2.280 262 2HB ALA 40 2HB ALA 40 -1.386 -4.481 -0.566 263 3HB ALA 40 3HB ALA 40 -2.471 -5.774 -1.070 264 H VAL 41 H VAL 41 1.657 -4.952 -2.026 265 HA VAL 41 HA VAL 41 1.401 -5.363 -4.895 266 HB VAL 41 HB VAL 41 3.591 -4.196 -3.158 267 1HG1 VAL 41 1HG1 VAL 41 4.693 -3.478 -5.189 268 2HG1 VAL 41 2HG1 VAL 41 3.397 -4.146 -6.181 269 3HG1 VAL 41 3HG1 VAL 41 4.466 -5.224 -5.281 270 1HG2 VAL 41 1HG2 VAL 41 1.990 -2.690 -5.191 271 2HG2 VAL 41 2HG2 VAL 41 2.692 -2.124 -3.675 272 3HG2 VAL 41 3HG2 VAL 41 1.223 -3.099 -3.657 273 H VAL 42 H VAL 42 3.320 -6.765 -2.260 274 HA VAL 42 HA VAL 42 4.927 -8.393 -4.082 275 HB VAL 42 HB VAL 42 4.524 -8.806 -1.106 276 1HG1 VAL 42 1HG1 VAL 42 7.051 -9.308 -2.642 277 2HG1 VAL 42 2HG1 VAL 42 5.738 -10.477 -2.762 278 3HG1 VAL 42 3HG1 VAL 42 6.449 -10.109 -1.191 279 1HG2 VAL 42 1HG2 VAL 42 6.939 -7.467 -1.520 280 2HG2 VAL 42 2HG2 VAL 42 5.471 -6.767 -0.842 281 3HG2 VAL 42 3HG2 VAL 42 5.800 -6.622 -2.568 282 H GLU 43 H GLU 43 1.817 -8.667 -2.585 283 HA GLU 43 HA GLU 43 1.720 -11.595 -2.836 284 1HB GLU 43 2HB GLU 43 -0.506 -9.614 -2.253 285 2HB GLU 43 1HB GLU 43 -0.598 -11.365 -2.062 286 1HG GLU 43 2HG GLU 43 1.698 -10.145 -0.683 287 2HG GLU 43 1HG GLU 43 0.132 -9.606 -0.072 288 H SER 44 H SER 44 0.699 -8.755 -4.643 289 HA SER 44 HA SER 44 -0.920 -10.298 -6.532 290 1HB SER 44 2HB SER 44 -0.503 -7.533 -5.912 291 2HB SER 44 1HB SER 44 -0.164 -7.772 -7.624 292 HG SER 44 HG SER 44 -2.228 -7.958 -7.905 293 H ASN 45 H ASN 45 2.366 -9.958 -6.052 294 HA ASN 45 HA ASN 45 4.145 -10.772 -7.365 295 1HB ASN 45 2HB ASN 45 2.127 -12.112 -8.466 296 2HB ASN 45 1HB ASN 45 2.414 -10.991 -9.797 297 1HD2 ASN 45 1HD2 ASN 45 4.147 -11.477 -11.181 298 2HD2 ASN 45 2HD2 ASN 45 5.333 -12.648 -10.860 299 H GLY 46 H GLY 46 2.901 -7.955 -7.336 300 1HA GLY 46 2HA GLY 46 4.043 -5.978 -8.127 301 2HA GLY 46 1HA GLY 46 4.642 -6.909 -9.502 302 H THR 47 H THR 47 1.568 -7.877 -9.385 303 HA THR 47 HA THR 47 0.757 -5.955 -11.470 304 HB THR 47 HB THR 47 -1.154 -7.493 -11.793 305 HG1 THR 47 1HG THR 47 -1.393 -8.139 -9.635 306 1HG2 THR 47 1HG2 THR 47 0.252 -9.569 -12.299 307 2HG2 THR 47 2HG2 THR 47 1.614 -8.689 -11.601 308 3HG2 THR 47 3HG2 THR 47 0.800 -8.061 -13.033 309 H LEU 48 H LEU 48 0.943 -4.862 -8.840 310 HA LEU 48 HA LEU 48 -1.830 -3.900 -8.547 311 1HB LEU 48 2HB LEU 48 -1.507 -5.917 -7.004 312 2HB LEU 48 1HB LEU 48 -0.350 -4.925 -6.117 313 HG LEU 48 HG LEU 48 -2.722 -3.382 -6.592 314 1HD1 LEU 48 1HD1 LEU 48 -4.174 -5.182 -6.671 315 2HD1 LEU 48 2HD1 LEU 48 -4.070 -4.959 -4.923 316 3HD1 LEU 48 3HD1 LEU 48 -3.114 -6.214 -5.711 317 1HD2 LEU 48 1HD2 LEU 48 -1.300 -4.511 -4.172 318 2HD2 LEU 48 2HD2 LEU 48 -2.728 -3.486 -4.025 319 3HD2 LEU 48 3HD2 LEU 48 -1.265 -2.855 -4.779 320 H THR 49 H THR 49 -1.265 -1.806 -8.994 321 HA THR 49 HA THR 49 1.042 -0.623 -7.531 322 HB THR 49 HB THR 49 0.936 1.180 -9.143 323 HG1 THR 49 1HG THR 49 -0.856 0.561 -10.849 324 1HG2 THR 49 1HG2 THR 49 1.006 -0.205 -11.316 325 2HG2 THR 49 2HG2 THR 49 0.669 -1.598 -10.287 326 3HG2 THR 49 3HG2 THR 49 2.136 -0.649 -10.037 327 H LEU 50 H LEU 50 -0.039 2.053 -7.830 328 HA LEU 50 HA LEU 50 -2.005 1.986 -5.603 329 1HB LEU 50 2HB LEU 50 -0.600 3.438 -4.607 330 2HB LEU 50 1HB LEU 50 0.450 3.404 -6.012 331 HG LEU 50 HG LEU 50 -1.464 5.120 -6.909 332 1HD1 LEU 50 1HD1 LEU 50 -1.227 5.567 -3.923 333 2HD1 LEU 50 2HD1 LEU 50 -2.679 5.014 -4.748 334 3HD1 LEU 50 3HD1 LEU 50 -2.050 6.630 -5.062 335 1HD2 LEU 50 1HD2 LEU 50 0.432 6.308 -7.065 336 2HD2 LEU 50 2HD2 LEU 50 1.210 5.233 -5.903 337 3HD2 LEU 50 3HD2 LEU 50 0.340 6.659 -5.341 338 H SER 51 H SER 51 -3.645 3.780 -5.684 339 HA SER 51 HA SER 51 -4.334 4.477 -8.507 340 1HB SER 51 2HB SER 51 -6.481 3.754 -8.221 341 2HB SER 51 1HB SER 51 -5.782 2.773 -6.936 342 HG SER 51 HG SER 51 -7.608 4.082 -6.301 343 H HIS 52 H HIS 52 -4.446 5.420 -5.097 344 HA HIS 52 HA HIS 52 -3.851 8.122 -5.566 345 1HB HIS 52 2HB HIS 52 -5.841 9.271 -5.757 346 2HB HIS 52 1HB HIS 52 -6.323 7.777 -6.551 347 HD1 HIS 52 1HD HIS 52 -7.786 6.094 -5.128 348 HD2 HIS 52 2HD HIS 52 -7.142 9.796 -3.322 349 HE1 HIS 52 1HE HIS 52 -9.454 6.264 -3.230 350 H PHE 53 H PHE 53 -2.791 8.363 -3.697 351 HA PHE 53 HA PHE 53 -3.008 6.956 -1.343 352 1HB PHE 53 2HB PHE 53 -2.194 9.787 -1.918 353 2HB PHE 53 1HB PHE 53 -2.287 9.239 -0.247 354 HD1 PHE 53 1HD PHE 53 -1.364 7.280 -3.273 355 HD2 PHE 53 2HD PHE 53 -0.004 9.030 0.404 356 HE1 PHE 53 1HE PHE 53 0.816 6.123 -3.536 357 HE2 PHE 53 2HE PHE 53 2.181 7.875 0.139 358 HZ PHE 53 HZ PHE 53 2.583 6.433 -1.831 359 H GLY 54 H GLY 54 -5.123 6.461 -0.751 360 1HA GLY 54 2HA GLY 54 -6.492 7.863 1.153 361 2HA GLY 54 1HA GLY 54 -7.108 8.576 -0.341 362 H LYS 55 H LYS 55 -8.941 7.265 1.182 363 HA LYS 55 HA LYS 55 -9.140 4.460 0.325 364 1HB LYS 55 2HB LYS 55 -9.965 4.949 2.529 365 2HB LYS 55 1HB LYS 55 -10.953 6.280 1.930 366 1HG LYS 55 2HG LYS 55 -12.364 4.727 0.683 367 2HG LYS 55 1HG LYS 55 -11.334 3.374 1.154 368 1HD LYS 55 2HD LYS 55 -12.715 3.122 2.927 369 2HD LYS 55 1HD LYS 55 -11.956 4.576 3.577 370 1HE LYS 55 2HE LYS 55 -13.657 5.969 2.455 371 2HE LYS 55 1HE LYS 55 -14.423 4.513 1.815 372 1HZ LYS 55 1HZ LYS 55 -15.636 4.844 3.702 373 2HZ LYS 55 2HZ LYS 55 -14.338 5.513 4.570 374 3HZ LYS 55 3HZ LYS 55 -14.421 3.835 4.318 375 H CYS 56 H CYS 56 -10.830 3.660 -1.052 376 HA CYS 56 HA CYS 56 -11.791 5.703 -2.995 377 1HB CYS 56 2HB CYS 56 -11.225 2.758 -3.151 378 2HB CYS 56 1HB CYS 56 -12.376 3.474 -4.282 Start of MODEL 8 1 1H ALA 3 1HT ALA 3 -1.760 1.456 -1.543 2 2H ALA 3 2HT ALA 3 -2.927 0.798 -2.591 3 3H ALA 3 3HT ALA 3 -3.203 2.294 -1.846 4 HA ALA 3 HA ALA 3 -2.127 1.878 -4.332 5 1HB ALA 3 1HB ALA 3 -3.014 3.998 -2.658 6 2HB ALA 3 2HB ALA 3 -2.781 4.025 -4.403 7 3HB ALA 3 3HB ALA 3 -1.457 4.480 -3.331 8 H VAL 4 H VAL 4 -0.083 2.669 -5.230 9 HA VAL 4 HA VAL 4 2.201 1.796 -3.598 10 HB VAL 4 HB VAL 4 2.002 0.996 -5.915 11 1HG1 VAL 4 1HG1 VAL 4 0.934 2.554 -7.210 12 2HG1 VAL 4 2HG1 VAL 4 2.601 2.885 -7.672 13 3HG1 VAL 4 3HG1 VAL 4 1.795 3.911 -6.490 14 1HG2 VAL 4 1HG2 VAL 4 4.243 0.928 -5.895 15 2HG2 VAL 4 2HG2 VAL 4 4.275 2.284 -4.767 16 3HG2 VAL 4 3HG2 VAL 4 4.295 2.581 -6.506 17 H SER 5 H SER 5 3.402 4.126 -5.748 18 HA SER 5 HA SER 5 4.258 6.262 -5.357 19 1HB SER 5 2HB SER 5 2.222 7.313 -5.090 20 2HB SER 5 1HB SER 5 1.688 6.195 -3.841 21 HG SER 5 HG SER 5 2.204 8.348 -3.088 22 H VAL 6 H VAL 6 4.881 3.771 -3.759 23 HA VAL 6 HA VAL 6 6.343 5.128 -1.537 24 HB VAL 6 HB VAL 6 4.481 3.910 -0.524 25 1HG1 VAL 6 1HG1 VAL 6 3.766 2.333 -2.086 26 2HG1 VAL 6 2HG1 VAL 6 4.600 1.306 -0.919 27 3HG1 VAL 6 3HG1 VAL 6 5.401 1.769 -2.420 28 1HG2 VAL 6 1HG2 VAL 6 6.482 3.754 0.778 29 2HG2 VAL 6 2HG2 VAL 6 7.183 2.558 -0.311 30 3HG2 VAL 6 3HG2 VAL 6 5.825 2.118 0.724 31 H ASP 7 H ASP 7 8.424 4.075 -1.074 32 HA ASP 7 HA ASP 7 9.444 2.635 -3.452 33 1HB ASP 7 2HB ASP 7 10.496 4.687 -1.936 34 2HB ASP 7 1HB ASP 7 11.362 3.277 -1.333 35 H CYS 8 H CYS 8 7.772 1.258 -1.516 36 HA CYS 8 HA CYS 8 7.993 -0.460 0.229 37 1HB CYS 8 2HB CYS 8 8.828 -1.524 -2.480 38 2HB CYS 8 1HB CYS 8 8.383 -2.548 -1.113 39 H SER 9 H SER 9 10.019 0.736 1.164 40 HA SER 9 HA SER 9 12.650 0.355 0.820 41 1HB SER 9 2HB SER 9 11.433 -0.433 3.471 42 2HB SER 9 1HB SER 9 12.996 0.325 3.184 43 HG SER 9 HG SER 9 12.024 2.204 2.767 44 H GLU 10 H GLU 10 10.926 -2.209 2.657 45 HA GLU 10 HA GLU 10 12.315 -4.267 1.083 46 1HB GLU 10 2HB GLU 10 13.176 -5.303 3.302 47 2HB GLU 10 1HB GLU 10 14.087 -3.963 2.606 48 1HG GLU 10 2HG GLU 10 12.069 -2.806 4.226 49 2HG GLU 10 1HG GLU 10 12.785 -4.110 5.171 50 H TYR 11 H TYR 11 10.194 -4.953 0.592 51 HA TYR 11 HA TYR 11 8.627 -6.047 2.894 52 1HB TYR 11 2HB TYR 11 7.844 -4.918 0.213 53 2HB TYR 11 1HB TYR 11 6.755 -6.010 1.064 54 HD1 TYR 11 1HD TYR 11 5.359 -5.190 2.783 55 HD2 TYR 11 2HD TYR 11 8.782 -2.909 1.543 56 HE1 TYR 11 1HE TYR 11 4.649 -3.317 4.252 57 HE2 TYR 11 2HE TYR 11 8.073 -1.041 3.008 58 HH TYR 11 HH TYR 11 6.592 -0.332 4.491 59 HA PRO 12 HA PRO 12 6.531 -7.092 2.456 60 1HB PRO 12 2HB PRO 12 5.671 -9.482 3.488 61 2HB PRO 12 1HB PRO 12 5.256 -8.913 1.861 62 1HG PRO 12 2HG PRO 12 7.175 -11.043 2.667 63 2HG PRO 12 1HG PRO 12 6.290 -10.848 1.146 64 1HD PRO 12 2HD PRO 12 9.018 -10.203 1.590 65 2HD PRO 12 1HD PRO 12 8.049 -9.754 0.172 66 H LYS 13 H LYS 13 6.055 -6.912 4.757 67 HA LYS 13 HA LYS 13 8.428 -7.506 6.460 68 1HB LYS 13 2HB LYS 13 6.093 -5.708 7.152 69 2HB LYS 13 1HB LYS 13 7.699 -5.726 7.880 70 1HG LYS 13 2HG LYS 13 8.691 -4.926 5.791 71 2HG LYS 13 1HG LYS 13 7.114 -4.985 4.999 72 1HD LYS 13 2HD LYS 13 6.367 -3.087 6.038 73 2HD LYS 13 1HD LYS 13 7.254 -3.427 7.524 74 1HE LYS 13 2HE LYS 13 8.850 -2.803 5.079 75 2HE LYS 13 1HE LYS 13 8.006 -1.468 5.866 76 1HZ LYS 13 1HZ LYS 13 9.609 -3.351 7.465 77 2HZ LYS 13 2HZ LYS 13 9.195 -1.739 7.802 78 3HZ LYS 13 3HZ LYS 13 10.373 -2.088 6.629 79 HA PRO 14 HA PRO 14 6.112 -10.423 8.796 80 1HB PRO 14 2HB PRO 14 7.322 -10.124 11.246 81 2HB PRO 14 1HB PRO 14 8.083 -10.947 9.874 82 1HG PRO 14 2HG PRO 14 8.662 -8.247 10.998 83 2HG PRO 14 1HG PRO 14 9.726 -9.340 10.095 84 1HD PRO 14 2HD PRO 14 8.407 -7.057 9.049 85 2HD PRO 14 1HD PRO 14 9.213 -8.326 8.102 86 H ALA 15 H ALA 15 6.100 -7.075 9.623 87 HA ALA 15 HA ALA 15 3.425 -7.287 10.768 88 1HB ALA 15 1HB ALA 15 4.305 -7.661 12.870 89 2HB ALA 15 2HB ALA 15 4.393 -5.899 12.840 90 3HB ALA 15 3HB ALA 15 5.828 -6.860 12.487 91 H CYS 16 H CYS 16 2.356 -5.284 10.647 92 HA CYS 16 HA CYS 16 3.917 -3.131 9.302 93 1HB CYS 16 2HB CYS 16 1.015 -3.914 9.333 94 2HB CYS 16 1HB CYS 16 1.465 -2.259 8.927 95 H THR 17 H THR 17 3.366 -0.868 9.942 96 HA THR 17 HA THR 17 3.354 -0.618 12.855 97 HB THR 17 HB THR 17 3.022 1.926 11.616 98 HG1 THR 17 1HG THR 17 4.879 1.725 10.187 99 1HG2 THR 17 1HG2 THR 17 5.575 0.583 12.541 100 2HG2 THR 17 2HG2 THR 17 4.379 1.274 13.639 101 3HG2 THR 17 3HG2 THR 17 5.234 2.314 12.499 102 H MET 18 H MET 18 1.863 1.414 13.597 103 HA MET 18 HA MET 18 -0.891 0.487 13.085 104 1HB MET 18 2HB MET 18 0.386 1.427 15.340 105 2HB MET 18 1HB MET 18 -0.521 2.845 14.810 106 1HG MET 18 2HG MET 18 -1.954 0.230 14.787 107 2HG MET 18 1HG MET 18 -1.623 0.952 16.362 108 1HE MET 18 1HE MET 18 -3.410 2.435 17.443 109 2HE MET 18 2HE MET 18 -4.029 0.920 16.794 110 3HE MET 18 3HE MET 18 -4.959 2.402 16.594 111 H GLU 19 H GLU 19 0.902 2.151 11.184 112 HA GLU 19 HA GLU 19 -0.175 4.767 10.923 113 1HB GLU 19 2HB GLU 19 1.658 3.196 9.521 114 2HB GLU 19 1HB GLU 19 0.379 3.514 8.349 115 1HG GLU 19 2HG GLU 19 1.493 5.474 8.027 116 2HG GLU 19 1HG GLU 19 0.642 5.976 9.490 117 H TYR 20 H TYR 20 -2.209 5.388 10.446 118 HA TYR 20 HA TYR 20 -4.061 3.409 9.208 119 1HB TYR 20 2HB TYR 20 -4.494 4.829 11.399 120 2HB TYR 20 1HB TYR 20 -4.923 6.079 10.234 121 HD1 TYR 20 1HD TYR 20 -5.744 2.679 11.450 122 HD2 TYR 20 2HD TYR 20 -6.921 5.922 8.891 123 HE1 TYR 20 1HE TYR 20 -7.962 1.620 11.130 124 HE2 TYR 20 2HE TYR 20 -9.140 4.862 8.569 125 HH TYR 20 HH TYR 20 -9.922 2.122 8.811 126 H ARG 21 H ARG 21 -2.142 4.618 7.539 127 HA ARG 21 HA ARG 21 -3.313 6.906 6.168 128 1HB ARG 21 2HB ARG 21 -0.788 5.697 6.250 129 2HB ARG 21 1HB ARG 21 -1.360 5.430 4.602 130 1HG ARG 21 2HG ARG 21 -0.627 7.543 4.214 131 2HG ARG 21 1HG ARG 21 -2.104 8.040 5.044 132 1HD ARG 21 2HD ARG 21 -0.302 7.447 7.104 133 2HD ARG 21 1HD ARG 21 0.661 8.307 5.903 134 HE ARG 21 HE ARG 21 -1.190 10.087 6.015 135 1HH1 ARG 21 1HH1 ARG 21 0.447 8.698 8.591 136 2HH1 ARG 21 2HH1 ARG 21 -0.556 9.382 9.828 137 1HH2 ARG 21 1HH2 ARG 21 -2.906 10.627 7.605 138 2HH2 ARG 21 2HH2 ARG 21 -2.458 10.465 9.270 139 HA PRO 22 HA PRO 22 -5.948 4.133 3.811 140 1HB PRO 22 2HB PRO 22 -7.508 6.148 2.783 141 2HB PRO 22 1HB PRO 22 -7.740 5.461 4.400 142 1HG PRO 22 2HG PRO 22 -6.548 8.085 3.629 143 2HG PRO 22 1HG PRO 22 -7.375 7.625 5.126 144 1HD PRO 22 2HD PRO 22 -4.578 7.855 4.792 145 2HD PRO 22 1HD PRO 22 -5.402 7.060 6.150 146 H LEU 23 H LEU 23 -5.027 3.373 1.942 147 HA LEU 23 HA LEU 23 -4.196 5.381 -0.113 148 1HB LEU 23 2HB LEU 23 -3.137 2.571 0.321 149 2HB LEU 23 1HB LEU 23 -2.574 3.708 -0.901 150 HG LEU 23 HG LEU 23 -2.323 3.947 2.102 151 1HD1 LEU 23 1HD1 LEU 23 0.082 4.535 0.842 152 2HD1 LEU 23 2HD1 LEU 23 -0.587 3.236 -0.145 153 3HD1 LEU 23 3HD1 LEU 23 -0.338 2.991 1.583 154 1HD2 LEU 23 1HD2 LEU 23 -2.730 6.170 1.687 155 2HD2 LEU 23 2HD2 LEU 23 -2.357 6.021 -0.031 156 3HD2 LEU 23 3HD2 LEU 23 -1.050 6.141 1.148 157 H CYS 24 H CYS 24 -5.411 5.328 -1.953 158 HA CYS 24 HA CYS 24 -7.321 3.106 -2.317 159 1HB CYS 24 2HB CYS 24 -8.141 5.392 -2.660 160 2HB CYS 24 1HB CYS 24 -6.894 5.681 -3.872 161 H GLY 25 H GLY 25 -5.843 1.417 -2.909 162 1HA GLY 25 2HA GLY 25 -3.802 1.588 -4.845 163 2HA GLY 25 1HA GLY 25 -4.670 0.105 -4.461 164 H SER 26 H SER 26 -3.736 1.192 -7.091 165 HA SER 26 HA SER 26 -5.832 2.235 -8.662 166 1HB SER 26 2HB SER 26 -3.515 0.428 -9.258 167 2HB SER 26 1HB SER 26 -4.710 0.743 -10.514 168 HG SER 26 HG SER 26 -4.246 2.892 -10.412 169 H ASP 27 H ASP 27 -5.642 -0.841 -7.138 170 HA ASP 27 HA ASP 27 -7.532 -2.140 -8.977 171 1HB ASP 27 2HB ASP 27 -7.352 -4.047 -7.461 172 2HB ASP 27 1HB ASP 27 -5.739 -3.419 -7.801 173 H ASN 28 H ASN 28 -8.200 0.349 -7.320 174 HA ASN 28 HA ASN 28 -10.056 1.169 -6.150 175 1HB ASN 28 2HB ASN 28 -10.997 -0.645 -8.032 176 2HB ASN 28 1HB ASN 28 -11.742 -1.194 -6.530 177 1HD2 ASN 28 1HD2 ASN 28 -13.788 -0.277 -6.369 178 2HD2 ASN 28 2HD2 ASN 28 -14.171 1.330 -6.754 179 H LYS 29 H LYS 29 -8.098 -0.283 -4.633 180 HA LYS 29 HA LYS 29 -9.881 -1.600 -2.612 181 1HB LYS 29 2HB LYS 29 -7.081 -2.241 -3.507 182 2HB LYS 29 1HB LYS 29 -7.628 -2.703 -1.896 183 1HG LYS 29 2HG LYS 29 -9.153 -3.395 -4.417 184 2HG LYS 29 1HG LYS 29 -7.966 -4.472 -3.680 185 1HD LYS 29 2HD LYS 29 -9.923 -3.399 -1.768 186 2HD LYS 29 1HD LYS 29 -10.641 -4.404 -3.027 187 1HE LYS 29 2HE LYS 29 -9.516 -6.301 -2.347 188 2HE LYS 29 1HE LYS 29 -8.137 -5.389 -1.736 189 1HZ LYS 29 1HZ LYS 29 -9.245 -6.169 0.150 190 2HZ LYS 29 2HZ LYS 29 -10.778 -5.784 -0.468 191 3HZ LYS 29 3HZ LYS 29 -9.722 -4.548 0.025 192 H THR 30 H THR 30 -9.957 -0.629 -0.643 193 HA THR 30 HA THR 30 -8.261 1.710 -0.137 194 HB THR 30 HB THR 30 -10.366 0.347 1.574 195 HG1 THR 30 1HG THR 30 -11.636 2.051 0.881 196 1HG2 THR 30 1HG2 THR 30 -10.055 1.955 3.187 197 2HG2 THR 30 2HG2 THR 30 -9.482 3.155 2.028 198 3HG2 THR 30 3HG2 THR 30 -8.403 1.872 2.575 199 H TYR 31 H TYR 31 -6.410 1.686 1.085 200 HA TYR 31 HA TYR 31 -5.744 -0.867 2.473 201 1HB TYR 31 2HB TYR 31 -4.091 1.146 0.981 202 2HB TYR 31 1HB TYR 31 -3.351 0.082 2.171 203 HD1 TYR 31 1HD TYR 31 -4.679 0.355 -1.178 204 HD2 TYR 31 2HD TYR 31 -3.641 -2.438 1.916 205 HE1 TYR 31 1HE TYR 31 -4.668 -1.484 -2.843 206 HE2 TYR 31 2HE TYR 31 -3.631 -4.277 0.252 207 HH TYR 31 HH TYR 31 -4.922 -3.929 -2.879 208 H GLY 32 H GLY 32 -4.202 -0.532 4.341 209 1HA GLY 32 2HA GLY 32 -5.273 1.629 6.052 210 2HA GLY 32 1HA GLY 32 -4.316 0.254 6.604 211 H ASN 33 H ASN 33 -2.422 0.780 4.284 212 HA ASN 33 HA ASN 33 -1.254 3.332 4.433 213 1HB ASN 33 2HB ASN 33 0.649 2.868 6.032 214 2HB ASN 33 1HB ASN 33 -0.926 3.047 6.802 215 1HD2 ASN 33 1HD2 ASN 33 -0.060 1.712 8.621 216 2HD2 ASN 33 2HD2 ASN 33 0.026 0.025 8.456 217 H LYS 34 H LYS 34 1.070 3.289 3.693 218 HA LYS 34 HA LYS 34 1.412 1.667 1.430 219 1HB LYS 34 2HB LYS 34 3.835 2.366 1.574 220 2HB LYS 34 1HB LYS 34 2.682 3.699 1.642 221 1HG LYS 34 2HG LYS 34 2.856 3.759 4.088 222 2HG LYS 34 1HG LYS 34 3.960 2.384 4.058 223 1HD LYS 34 2HD LYS 34 5.694 3.783 3.752 224 2HD LYS 34 1HD LYS 34 4.967 4.348 2.246 225 1HE LYS 34 2HE LYS 34 4.417 5.429 5.026 226 2HE LYS 34 1HE LYS 34 5.297 6.253 3.737 227 1HZ LYS 34 1HZ LYS 34 2.932 5.535 2.587 228 2HZ LYS 34 2HZ LYS 34 3.339 7.085 3.149 229 3HZ LYS 34 3HZ LYS 34 2.478 6.015 4.149 230 H CYS 35 H CYS 35 1.831 0.775 4.731 231 HA CYS 35 HA CYS 35 3.863 -1.252 4.232 232 1HB CYS 35 2HB CYS 35 3.452 -0.213 6.482 233 2HB CYS 35 1HB CYS 35 1.903 -1.053 6.536 234 H ASN 36 H ASN 36 0.338 -1.137 4.438 235 HA ASN 36 HA ASN 36 0.007 -4.006 4.050 236 1HB ASN 36 2HB ASN 36 -1.604 -1.877 4.905 237 2HB ASN 36 1HB ASN 36 -2.285 -2.353 3.354 238 1HD2 ASN 36 1HD2 ASN 36 -0.920 -4.058 6.238 239 2HD2 ASN 36 2HD2 ASN 36 -2.150 -5.224 6.308 240 H PHE 37 H PHE 37 0.583 -1.265 2.076 241 HA PHE 37 HA PHE 37 -0.643 -2.404 -0.336 242 1HB PHE 37 2HB PHE 37 -0.531 0.068 0.053 243 2HB PHE 37 1HB PHE 37 1.227 -0.036 -0.062 244 HD1 PHE 37 1HD PHE 37 2.335 -0.217 -2.154 245 HD2 PHE 37 2HD PHE 37 -1.930 -0.634 -1.943 246 HE1 PHE 37 1HE PHE 37 2.204 -0.136 -4.623 247 HE2 PHE 37 2HE PHE 37 -2.065 -0.545 -4.424 248 HZ PHE 37 HZ PHE 37 0.010 -0.306 -5.762 249 H CYS 38 H CYS 38 2.670 -1.784 0.850 250 HA CYS 38 HA CYS 38 3.998 -2.880 -1.429 251 1HB CYS 38 2HB CYS 38 4.813 -2.488 1.453 252 2HB CYS 38 1HB CYS 38 5.887 -3.279 0.300 253 H ASN 39 H ASN 39 2.547 -4.282 1.433 254 HA ASN 39 HA ASN 39 3.667 -6.938 0.981 255 1HB ASN 39 2HB ASN 39 1.912 -5.652 2.937 256 2HB ASN 39 1HB ASN 39 1.347 -7.263 2.494 257 1HD2 ASN 39 1HD2 ASN 39 2.004 -7.974 4.714 258 2HD2 ASN 39 2HD2 ASN 39 3.639 -8.293 5.039 259 H ALA 40 H ALA 40 0.519 -5.379 0.427 260 HA ALA 40 HA ALA 40 -0.716 -7.628 -0.845 261 1HB ALA 40 1HB ALA 40 -1.173 -4.663 -1.336 262 2HB ALA 40 2HB ALA 40 -2.002 -5.634 -0.120 263 3HB ALA 40 3HB ALA 40 -2.258 -5.960 -1.835 264 H VAL 41 H VAL 41 1.772 -5.466 -1.766 265 HA VAL 41 HA VAL 41 1.503 -5.926 -4.653 266 HB VAL 41 HB VAL 41 3.629 -4.572 -2.962 267 1HG1 VAL 41 1HG1 VAL 41 3.512 -4.205 -5.918 268 2HG1 VAL 41 2HG1 VAL 41 4.201 -5.717 -5.331 269 3HG1 VAL 41 3HG1 VAL 41 4.905 -4.178 -4.837 270 1HG2 VAL 41 1HG2 VAL 41 2.280 -2.951 -4.946 271 2HG2 VAL 41 2HG2 VAL 41 2.368 -2.719 -3.199 272 3HG2 VAL 41 3HG2 VAL 41 1.101 -3.732 -3.892 273 H VAL 42 H VAL 42 3.331 -7.161 -1.901 274 HA VAL 42 HA VAL 42 5.258 -8.663 -3.432 275 HB VAL 42 HB VAL 42 4.175 -8.981 -0.619 276 1HG1 VAL 42 1HG1 VAL 42 5.689 -10.853 -2.251 277 2HG1 VAL 42 2HG1 VAL 42 5.019 -11.074 -0.636 278 3HG1 VAL 42 3HG1 VAL 42 6.612 -10.351 -0.837 279 1HG2 VAL 42 1HG2 VAL 42 7.020 -8.431 -1.027 280 2HG2 VAL 42 2HG2 VAL 42 5.845 -7.568 -0.034 281 3HG2 VAL 42 3HG2 VAL 42 5.993 -7.193 -1.751 282 H GLU 43 H GLU 43 1.924 -9.155 -2.587 283 HA GLU 43 HA GLU 43 2.054 -11.988 -3.497 284 1HB GLU 43 2HB GLU 43 -0.240 -12.160 -2.605 285 2HB GLU 43 1HB GLU 43 0.863 -11.544 -1.376 286 1HG GLU 43 2HG GLU 43 -0.461 -9.743 -1.144 287 2HG GLU 43 1HG GLU 43 -0.081 -9.291 -2.805 288 H SER 44 H SER 44 1.310 -8.869 -4.630 289 HA SER 44 HA SER 44 -0.606 -9.866 -6.664 290 1HB SER 44 2HB SER 44 0.270 -7.168 -5.708 291 2HB SER 44 1HB SER 44 -0.367 -7.312 -7.344 292 HG SER 44 HG SER 44 -1.877 -6.940 -5.465 293 H ASN 45 H ASN 45 2.727 -9.525 -6.295 294 HA ASN 45 HA ASN 45 4.429 -9.969 -7.872 295 1HB ASN 45 2HB ASN 45 2.330 -11.097 -9.096 296 2HB ASN 45 1HB ASN 45 2.564 -9.734 -10.189 297 1HD2 ASN 45 1HD2 ASN 45 3.255 -11.444 -11.804 298 2HD2 ASN 45 2HD2 ASN 45 4.851 -12.022 -11.746 299 H GLY 46 H GLY 46 3.047 -7.261 -7.205 300 1HA GLY 46 2HA GLY 46 3.860 -5.064 -7.626 301 2HA GLY 46 1HA GLY 46 4.767 -5.695 -8.999 302 H THR 47 H THR 47 1.655 -6.875 -9.205 303 HA THR 47 HA THR 47 1.038 -5.079 -11.430 304 HB THR 47 HB THR 47 -0.974 -6.494 -11.690 305 HG1 THR 47 1HG THR 47 -0.791 -8.399 -10.103 306 1HG2 THR 47 1HG2 THR 47 0.543 -7.711 -12.839 307 2HG2 THR 47 2HG2 THR 47 0.604 -8.764 -11.424 308 3HG2 THR 47 3HG2 THR 47 1.782 -7.465 -11.608 309 H LEU 48 H LEU 48 0.717 -4.766 -8.154 310 HA LEU 48 HA LEU 48 -1.898 -3.352 -8.277 311 1HB LEU 48 2HB LEU 48 -1.557 -4.917 -6.407 312 2HB LEU 48 1HB LEU 48 -0.102 -4.042 -5.928 313 HG LEU 48 HG LEU 48 -1.489 -1.996 -5.616 314 1HD1 LEU 48 1HD1 LEU 48 -3.589 -3.888 -6.576 315 2HD1 LEU 48 2HD1 LEU 48 -3.406 -2.163 -6.889 316 3HD1 LEU 48 3HD1 LEU 48 -4.046 -2.715 -5.341 317 1HD2 LEU 48 1HD2 LEU 48 -0.991 -3.751 -3.794 318 2HD2 LEU 48 2HD2 LEU 48 -2.657 -4.283 -4.023 319 3HD2 LEU 48 3HD2 LEU 48 -2.322 -2.637 -3.482 320 H THR 49 H THR 49 -1.932 -1.150 -8.435 321 HA THR 49 HA THR 49 0.598 0.307 -7.782 322 HB THR 49 HB THR 49 0.169 1.816 -9.616 323 HG1 THR 49 1HG THR 49 -1.745 0.956 -10.977 324 1HG2 THR 49 1HG2 THR 49 1.315 0.160 -10.671 325 2HG2 THR 49 2HG2 THR 49 -0.234 -0.157 -11.453 326 3HG2 THR 49 3HG2 THR 49 0.254 -1.102 -10.046 327 H LEU 50 H LEU 50 -0.700 2.846 -8.341 328 HA LEU 50 HA LEU 50 -2.447 3.045 -5.936 329 1HB LEU 50 2HB LEU 50 -0.830 4.386 -5.114 330 2HB LEU 50 1HB LEU 50 0.053 4.307 -6.618 331 HG LEU 50 HG LEU 50 -1.767 6.114 -7.376 332 1HD1 LEU 50 1HD1 LEU 50 -2.679 7.386 -5.670 333 2HD1 LEU 50 2HD1 LEU 50 -1.399 6.961 -4.537 334 3HD1 LEU 50 3HD1 LEU 50 -2.685 5.808 -4.885 335 1HD2 LEU 50 1HD2 LEU 50 0.077 7.599 -5.844 336 2HD2 LEU 50 2HD2 LEU 50 0.226 7.143 -7.542 337 3HD2 LEU 50 3HD2 LEU 50 0.906 6.106 -6.287 338 H SER 51 H SER 51 -4.112 4.589 -6.043 339 HA SER 51 HA SER 51 -4.789 5.580 -8.779 340 1HB SER 51 2HB SER 51 -6.550 4.126 -8.557 341 2HB SER 51 1HB SER 51 -6.397 4.053 -6.805 342 HG SER 51 HG SER 51 -8.296 5.160 -7.509 343 H HIS 52 H HIS 52 -4.667 6.128 -5.334 344 HA HIS 52 HA HIS 52 -4.278 8.881 -5.461 345 1HB HIS 52 2HB HIS 52 -6.282 9.856 -5.806 346 2HB HIS 52 1HB HIS 52 -6.943 8.265 -6.156 347 HD1 HIS 52 1HD HIS 52 -8.517 7.241 -4.435 348 HD2 HIS 52 2HD HIS 52 -6.690 10.727 -3.060 349 HE1 HIS 52 1HE HIS 52 -9.679 7.852 -2.269 350 H PHE 53 H PHE 53 -3.019 8.737 -3.652 351 HA PHE 53 HA PHE 53 -3.276 7.029 -1.478 352 1HB PHE 53 2HB PHE 53 -1.985 9.643 -1.928 353 2HB PHE 53 1HB PHE 53 -2.332 9.282 -0.238 354 HD1 PHE 53 1HD PHE 53 -1.736 6.665 -2.771 355 HD2 PHE 53 2HD PHE 53 -0.014 8.949 0.433 356 HE1 PHE 53 1HE PHE 53 0.210 5.120 -2.718 357 HE2 PHE 53 2HE PHE 53 1.924 7.405 0.492 358 HZ PHE 53 HZ PHE 53 2.034 5.492 -1.082 359 H GLY 54 H GLY 54 -5.352 6.706 -0.734 360 1HA GLY 54 2HA GLY 54 -6.437 8.095 1.371 361 2HA GLY 54 1HA GLY 54 -7.123 8.915 -0.036 362 H LYS 55 H LYS 55 -8.745 7.442 1.785 363 HA LYS 55 HA LYS 55 -9.229 4.761 0.833 364 1HB LYS 55 2HB LYS 55 -10.006 5.430 3.047 365 2HB LYS 55 1HB LYS 55 -11.026 6.685 2.343 366 1HG LYS 55 2HG LYS 55 -12.381 5.009 1.207 367 2HG LYS 55 1HG LYS 55 -11.316 3.722 1.770 368 1HD LYS 55 2HD LYS 55 -12.857 5.571 3.613 369 2HD LYS 55 1HD LYS 55 -13.408 3.963 3.142 370 1HE LYS 55 2HE LYS 55 -10.732 3.642 3.979 371 2HE LYS 55 1HE LYS 55 -11.490 4.694 5.175 372 1HZ LYS 55 1HZ LYS 55 -11.828 1.924 4.804 373 2HZ LYS 55 2HZ LYS 55 -13.321 2.697 4.558 374 3HZ LYS 55 3HZ LYS 55 -12.476 2.916 6.015 375 H CYS 56 H CYS 56 -10.726 4.030 -0.692 376 HA CYS 56 HA CYS 56 -11.817 6.142 -2.496 377 1HB CYS 56 2HB CYS 56 -10.664 3.460 -2.909 378 2HB CYS 56 1HB CYS 56 -12.131 3.764 -3.839 Start of MODEL 9 1 1H ALA 3 1HT ALA 3 -1.045 7.396 -11.250 2 2H ALA 3 2HT ALA 3 -0.287 8.324 -10.046 3 3H ALA 3 3HT ALA 3 -0.291 6.630 -9.939 4 HA ALA 3 HA ALA 3 1.148 6.410 -11.798 5 1HB ALA 3 1HB ALA 3 1.686 8.159 -13.248 6 2HB ALA 3 2HB ALA 3 1.324 9.397 -12.045 7 3HB ALA 3 3HB ALA 3 0.010 8.538 -12.848 8 H VAL 4 H VAL 4 1.275 6.792 -8.882 9 HA VAL 4 HA VAL 4 3.860 8.248 -8.596 10 HB VAL 4 HB VAL 4 2.206 7.104 -6.343 11 1HG1 VAL 4 1HG1 VAL 4 3.957 9.568 -6.416 12 2HG1 VAL 4 2HG1 VAL 4 4.610 7.968 -6.067 13 3HG1 VAL 4 3HG1 VAL 4 3.394 8.675 -5.004 14 1HG2 VAL 4 1HG2 VAL 4 1.459 9.663 -6.289 15 2HG2 VAL 4 2HG2 VAL 4 0.572 8.476 -7.246 16 3HG2 VAL 4 3HG2 VAL 4 1.744 9.537 -8.026 17 H SER 5 H SER 5 2.364 5.080 -8.281 18 HA SER 5 HA SER 5 3.307 2.989 -7.719 19 1HB SER 5 2HB SER 5 5.415 2.542 -8.978 20 2HB SER 5 1HB SER 5 4.179 3.298 -9.980 21 HG SER 5 HG SER 5 6.636 4.200 -9.262 22 H VAL 6 H VAL 6 3.457 3.722 -5.403 23 HA VAL 6 HA VAL 6 5.660 4.931 -4.188 24 HB VAL 6 HB VAL 6 3.993 2.602 -3.192 25 1HG1 VAL 6 1HG1 VAL 6 4.798 3.331 -0.937 26 2HG1 VAL 6 2HG1 VAL 6 5.933 4.419 -1.733 27 3HG1 VAL 6 3HG1 VAL 6 6.085 2.675 -1.949 28 1HG2 VAL 6 1HG2 VAL 6 3.686 5.254 -1.976 29 2HG2 VAL 6 2HG2 VAL 6 2.451 4.154 -2.595 30 3HG2 VAL 6 3HG2 VAL 6 3.298 5.240 -3.697 31 H ASP 7 H ASP 7 7.673 4.162 -3.406 32 HA ASP 7 HA ASP 7 8.846 1.997 -4.966 33 1HB ASP 7 2HB ASP 7 10.242 3.899 -4.433 34 2HB ASP 7 1HB ASP 7 9.927 3.709 -2.709 35 H CYS 8 H CYS 8 7.918 0.031 -4.363 36 HA CYS 8 HA CYS 8 7.990 -0.685 -1.472 37 1HB CYS 8 2HB CYS 8 6.635 -2.084 -3.799 38 2HB CYS 8 1HB CYS 8 6.502 -2.543 -2.101 39 H SER 9 H SER 9 10.417 -0.575 -3.075 40 HA SER 9 HA SER 9 11.150 -3.262 -3.879 41 1HB SER 9 2HB SER 9 12.282 -1.250 -4.780 42 2HB SER 9 1HB SER 9 12.908 -0.890 -3.173 43 HG SER 9 HG SER 9 13.838 -3.076 -3.287 44 H GLU 10 H GLU 10 11.017 -1.578 -0.867 45 HA GLU 10 HA GLU 10 12.918 -3.392 0.463 46 1HB GLU 10 2HB GLU 10 12.045 -2.128 2.538 47 2HB GLU 10 1HB GLU 10 12.950 -1.192 1.349 48 1HG GLU 10 2HG GLU 10 10.084 -1.329 0.752 49 2HG GLU 10 1HG GLU 10 10.431 -0.553 2.297 50 H TYR 11 H TYR 11 10.041 -4.020 -0.740 51 HA TYR 11 HA TYR 11 9.042 -5.457 1.681 52 1HB TYR 11 2HB TYR 11 7.645 -4.441 -0.798 53 2HB TYR 11 1HB TYR 11 6.895 -5.624 0.274 54 HD1 TYR 11 1HD TYR 11 5.797 -4.925 2.239 55 HD2 TYR 11 2HD TYR 11 8.537 -2.268 0.275 56 HE1 TYR 11 1HE TYR 11 5.140 -3.104 3.790 57 HE2 TYR 11 2HE TYR 11 7.881 -0.443 1.824 58 HH TYR 11 HH TYR 11 6.781 -0.571 4.445 59 HA PRO 12 HA PRO 12 7.156 -6.865 1.620 60 1HB PRO 12 2HB PRO 12 7.143 -9.347 2.806 61 2HB PRO 12 1HB PRO 12 6.220 -8.948 1.345 62 1HG PRO 12 2HG PRO 12 8.734 -10.537 1.604 63 2HG PRO 12 1HG PRO 12 7.456 -10.646 0.380 64 1HD PRO 12 2HD PRO 12 9.955 -9.383 0.030 65 2HD PRO 12 1HD PRO 12 8.533 -9.174 -1.016 66 H LYS 13 H LYS 13 7.314 -6.394 3.858 67 HA LYS 13 HA LYS 13 10.076 -6.475 4.930 68 1HB LYS 13 2HB LYS 13 7.882 -5.154 6.456 69 2HB LYS 13 1HB LYS 13 9.532 -4.609 6.163 70 1HG LYS 13 2HG LYS 13 8.243 -4.654 3.631 71 2HG LYS 13 1HG LYS 13 7.133 -3.876 4.757 72 1HD LYS 13 2HD LYS 13 10.025 -3.128 4.262 73 2HD LYS 13 1HD LYS 13 8.604 -2.193 3.798 74 1HE LYS 13 2HE LYS 13 8.414 -1.292 5.855 75 2HE LYS 13 1HE LYS 13 8.569 -2.867 6.633 76 1HZ LYS 13 1HZ LYS 13 10.929 -2.740 6.473 77 2HZ LYS 13 2HZ LYS 13 10.381 -1.294 7.176 78 3HZ LYS 13 3HZ LYS 13 10.856 -1.322 5.545 79 HA PRO 14 HA PRO 14 9.157 -9.470 7.999 80 1HB PRO 14 2HB PRO 14 10.422 -8.456 10.219 81 2HB PRO 14 1HB PRO 14 11.279 -9.163 8.838 82 1HG PRO 14 2HG PRO 14 11.008 -6.297 9.610 83 2HG PRO 14 1HG PRO 14 12.282 -7.090 8.668 84 1HD PRO 14 2HD PRO 14 10.155 -5.535 7.621 85 2HD PRO 14 1HD PRO 14 11.253 -6.574 6.687 86 H ALA 15 H ALA 15 7.933 -6.293 8.428 87 HA ALA 15 HA ALA 15 5.665 -7.244 9.943 88 1HB ALA 15 1HB ALA 15 6.065 -6.357 12.071 89 2HB ALA 15 2HB ALA 15 7.336 -5.281 11.491 90 3HB ALA 15 3HB ALA 15 7.644 -7.012 11.642 91 H CYS 16 H CYS 16 4.491 -5.096 10.882 92 HA CYS 16 HA CYS 16 4.812 -2.957 8.821 93 1HB CYS 16 2HB CYS 16 2.323 -4.378 9.748 94 2HB CYS 16 1HB CYS 16 2.227 -2.728 9.134 95 H THR 17 H THR 17 3.753 -0.873 9.563 96 HA THR 17 HA THR 17 4.371 -0.477 12.440 97 HB THR 17 HB THR 17 3.887 2.017 11.571 98 HG1 THR 17 1HG THR 17 3.308 1.439 9.502 99 1HG2 THR 17 1HG2 THR 17 6.045 0.839 12.425 100 2HG2 THR 17 2HG2 THR 17 6.215 2.292 11.438 101 3HG2 THR 17 3HG2 THR 17 6.454 0.700 10.716 102 H MET 18 H MET 18 2.824 1.336 13.423 103 HA MET 18 HA MET 18 0.119 0.197 13.258 104 1HB MET 18 2HB MET 18 1.651 1.750 15.179 105 2HB MET 18 1HB MET 18 0.047 2.445 14.932 106 1HG MET 18 2HG MET 18 -0.447 -0.286 15.039 107 2HG MET 18 1HG MET 18 0.805 -0.052 16.259 108 1HE MET 18 1HE MET 18 -2.505 -0.829 16.410 109 2HE MET 18 2HE MET 18 -2.724 -0.231 18.053 110 3HE MET 18 3HE MET 18 -1.256 -1.111 17.631 111 H GLU 19 H GLU 19 1.570 2.118 11.199 112 HA GLU 19 HA GLU 19 0.179 4.557 11.034 113 1HB GLU 19 2HB GLU 19 2.075 3.665 9.533 114 2HB GLU 19 1HB GLU 19 0.803 2.870 8.605 115 1HG GLU 19 2HG GLU 19 0.075 4.821 7.696 116 2HG GLU 19 1HG GLU 19 0.262 5.704 9.212 117 H TYR 20 H TYR 20 -1.702 5.141 9.710 118 HA TYR 20 HA TYR 20 -3.556 2.898 9.101 119 1HB TYR 20 2HB TYR 20 -3.937 3.938 11.442 120 2HB TYR 20 1HB TYR 20 -4.524 5.347 10.557 121 HD1 TYR 20 1HD TYR 20 -4.850 1.662 9.936 122 HD2 TYR 20 2HD TYR 20 -6.857 5.392 10.649 123 HE1 TYR 20 1HE TYR 20 -7.041 0.548 9.597 124 HE2 TYR 20 2HE TYR 20 -9.046 4.278 10.310 125 HH TYR 20 HH TYR 20 -9.584 1.706 8.798 126 H ARG 21 H ARG 21 -2.015 4.621 7.405 127 HA ARG 21 HA ARG 21 -3.800 6.672 6.338 128 1HB ARG 21 2HB ARG 21 -1.096 5.592 5.615 129 2HB ARG 21 1HB ARG 21 -1.988 6.537 4.421 130 1HG ARG 21 2HG ARG 21 -1.611 7.523 7.250 131 2HG ARG 21 1HG ARG 21 -0.408 7.834 5.996 132 1HD ARG 21 2HD ARG 21 -3.203 8.413 5.222 133 2HD ARG 21 1HD ARG 21 -2.543 9.458 6.480 134 HE ARG 21 HE ARG 21 -0.559 9.391 4.533 135 1HH1 ARG 21 1HH1 ARG 21 -3.784 9.305 3.663 136 2HH1 ARG 21 2HH1 ARG 21 -3.792 10.826 2.833 137 1HH2 ARG 21 1HH2 ARG 21 -0.611 11.720 3.894 138 2HH2 ARG 21 2HH2 ARG 21 -1.995 12.194 2.966 139 HA PRO 22 HA PRO 22 -5.924 3.691 3.798 140 1HB PRO 22 2HB PRO 22 -7.628 5.503 2.630 141 2HB PRO 22 1HB PRO 22 -7.858 4.857 4.264 142 1HG PRO 22 2HG PRO 22 -6.912 7.558 3.433 143 2HG PRO 22 1HG PRO 22 -7.732 7.066 4.923 144 1HD PRO 22 2HD PRO 22 -4.958 7.565 4.639 145 2HD PRO 22 1HD PRO 22 -5.743 6.774 6.023 146 H LEU 23 H LEU 23 -4.871 2.951 1.989 147 HA LEU 23 HA LEU 23 -4.144 4.943 -0.121 148 1HB LEU 23 2HB LEU 23 -2.777 2.444 0.850 149 2HB LEU 23 1HB LEU 23 -2.500 3.027 -0.795 150 HG LEU 23 HG LEU 23 -2.346 5.225 1.078 151 1HD1 LEU 23 1HD1 LEU 23 -0.018 4.167 1.921 152 2HD1 LEU 23 2HD1 LEU 23 -0.972 2.688 1.811 153 3HD1 LEU 23 3HD1 LEU 23 -1.514 4.012 2.842 154 1HD2 LEU 23 1HD2 LEU 23 -1.313 5.446 -1.040 155 2HD2 LEU 23 2HD2 LEU 23 -0.530 3.870 -0.919 156 3HD2 LEU 23 3HD2 LEU 23 0.042 5.216 0.064 157 H CYS 24 H CYS 24 -5.471 4.743 -1.885 158 HA CYS 24 HA CYS 24 -6.881 2.171 -2.285 159 1HB CYS 24 2HB CYS 24 -7.429 4.936 -2.935 160 2HB CYS 24 1HB CYS 24 -7.539 3.938 -4.383 161 H GLY 25 H GLY 25 -5.316 0.775 -3.136 162 1HA GLY 25 2HA GLY 25 -3.351 1.458 -5.062 163 2HA GLY 25 1HA GLY 25 -3.952 -0.175 -4.783 164 H SER 26 H SER 26 -3.325 0.892 -7.370 165 HA SER 26 HA SER 26 -5.406 1.949 -8.890 166 1HB SER 26 2HB SER 26 -3.439 1.612 -10.090 167 2HB SER 26 1HB SER 26 -3.237 -0.033 -9.491 168 HG SER 26 HG SER 26 -4.897 -0.694 -10.821 169 H ASP 27 H ASP 27 -5.342 -1.124 -7.308 170 HA ASP 27 HA ASP 27 -7.423 -2.304 -9.016 171 1HB ASP 27 2HB ASP 27 -7.280 -4.215 -7.542 172 2HB ASP 27 1HB ASP 27 -5.637 -3.663 -7.866 173 H ASN 28 H ASN 28 -7.848 0.251 -7.409 174 HA ASN 28 HA ASN 28 -9.527 1.215 -6.090 175 1HB ASN 28 2HB ASN 28 -10.718 -0.335 -8.031 176 2HB ASN 28 1HB ASN 28 -11.452 -0.964 -6.555 177 1HD2 ASN 28 1HD2 ASN 28 -13.351 0.258 -7.887 178 2HD2 ASN 28 2HD2 ASN 28 -13.621 1.860 -7.394 179 H LYS 29 H LYS 29 -7.717 -0.413 -4.664 180 HA LYS 29 HA LYS 29 -9.553 -1.655 -2.647 181 1HB LYS 29 2HB LYS 29 -8.068 -3.285 -3.850 182 2HB LYS 29 1HB LYS 29 -6.673 -2.424 -3.196 183 1HG LYS 29 2HG LYS 29 -6.895 -3.966 -1.519 184 2HG LYS 29 1HG LYS 29 -8.062 -2.787 -0.919 185 1HD LYS 29 2HD LYS 29 -9.868 -4.006 -2.132 186 2HD LYS 29 1HD LYS 29 -8.687 -5.226 -2.609 187 1HE LYS 29 2HE LYS 29 -8.678 -4.640 0.273 188 2HE LYS 29 1HE LYS 29 -10.199 -5.317 -0.308 189 1HZ LYS 29 1HZ LYS 29 -9.214 -7.285 -0.287 190 2HZ LYS 29 2HZ LYS 29 -7.701 -6.600 0.070 191 3HZ LYS 29 3HZ LYS 29 -8.205 -6.762 -1.545 192 H THR 30 H THR 30 -9.531 -0.606 -0.701 193 HA THR 30 HA THR 30 -7.568 1.514 -0.228 194 HB THR 30 HB THR 30 -9.664 0.419 1.669 195 HG1 THR 30 1HG THR 30 -10.053 1.567 -0.615 196 1HG2 THR 30 1HG2 THR 30 -8.061 2.984 1.552 197 2HG2 THR 30 2HG2 THR 30 -8.029 1.759 2.820 198 3HG2 THR 30 3HG2 THR 30 -9.463 2.761 2.600 199 H TYR 31 H TYR 31 -5.970 1.511 1.427 200 HA TYR 31 HA TYR 31 -5.398 -1.167 2.611 201 1HB TYR 31 2HB TYR 31 -3.611 0.825 1.251 202 2HB TYR 31 1HB TYR 31 -2.957 -0.276 2.459 203 HD1 TYR 31 1HD TYR 31 -3.714 0.106 -0.961 204 HD2 TYR 31 2HD TYR 31 -3.731 -2.810 2.192 205 HE1 TYR 31 1HE TYR 31 -3.710 -1.713 -2.645 206 HE2 TYR 31 2HE TYR 31 -3.724 -4.630 0.507 207 HH TYR 31 HH TYR 31 -4.545 -4.783 -2.028 208 H GLY 32 H GLY 32 -3.998 -1.003 4.583 209 1HA GLY 32 2HA GLY 32 -5.076 1.070 6.358 210 2HA GLY 32 1HA GLY 32 -4.058 -0.285 6.845 211 H ASN 33 H ASN 33 -2.181 0.482 4.549 212 HA ASN 33 HA ASN 33 -1.143 3.076 4.917 213 1HB ASN 33 2HB ASN 33 0.844 2.477 6.411 214 2HB ASN 33 1HB ASN 33 -0.715 2.634 7.222 215 1HD2 ASN 33 1HD2 ASN 33 0.085 1.146 8.932 216 2HD2 ASN 33 2HD2 ASN 33 0.154 -0.525 8.639 217 H LYS 34 H LYS 34 1.284 3.119 4.296 218 HA LYS 34 HA LYS 34 1.631 1.857 1.802 219 1HB LYS 34 2HB LYS 34 2.941 3.801 2.318 220 2HB LYS 34 1HB LYS 34 3.663 3.013 3.723 221 1HG LYS 34 2HG LYS 34 4.996 1.600 2.406 222 2HG LYS 34 1HG LYS 34 3.970 1.798 0.986 223 1HD LYS 34 2HD LYS 34 5.930 3.094 0.554 224 2HD LYS 34 1HD LYS 34 4.671 4.252 0.985 225 1HE LYS 34 2HE LYS 34 6.122 5.035 2.533 226 2HE LYS 34 1HE LYS 34 5.772 3.564 3.440 227 1HZ LYS 34 1HZ LYS 34 8.104 3.688 3.182 228 2HZ LYS 34 2HZ LYS 34 7.984 4.024 1.521 229 3HZ LYS 34 3HZ LYS 34 7.572 2.486 2.112 230 H CYS 35 H CYS 35 1.980 0.468 4.936 231 HA CYS 35 HA CYS 35 3.954 -1.526 4.115 232 1HB CYS 35 2HB CYS 35 3.542 -0.683 6.500 233 2HB CYS 35 1HB CYS 35 2.094 -1.686 6.484 234 H ASN 36 H ASN 36 0.441 -1.327 4.493 235 HA ASN 36 HA ASN 36 0.039 -4.119 3.705 236 1HB ASN 36 2HB ASN 36 -1.484 -2.215 5.048 237 2HB ASN 36 1HB ASN 36 -2.261 -2.318 3.470 238 1HD2 ASN 36 1HD2 ASN 36 -0.971 -4.509 6.033 239 2HD2 ASN 36 2HD2 ASN 36 -2.167 -5.695 5.826 240 H PHE 37 H PHE 37 0.482 -1.071 2.201 241 HA PHE 37 HA PHE 37 -0.884 -1.730 -0.303 242 1HB PHE 37 2HB PHE 37 -0.705 0.609 0.412 243 2HB PHE 37 1HB PHE 37 1.053 0.485 0.449 244 HD1 PHE 37 1HD PHE 37 2.348 0.787 -1.510 245 HD2 PHE 37 2HD PHE 37 -1.906 0.280 -1.812 246 HE1 PHE 37 1HE PHE 37 2.448 1.388 -3.913 247 HE2 PHE 37 2HE PHE 37 -1.805 0.879 -4.216 248 HZ PHE 37 HZ PHE 37 0.372 1.435 -5.266 249 H CYS 38 H CYS 38 2.480 -1.533 0.851 250 HA CYS 38 HA CYS 38 3.570 -2.416 -1.700 251 1HB CYS 38 2HB CYS 38 4.756 -2.097 1.067 252 2HB CYS 38 1HB CYS 38 5.690 -2.678 -0.310 253 H ASN 39 H ASN 39 2.537 -3.940 1.292 254 HA ASN 39 HA ASN 39 3.763 -6.507 0.676 255 1HB ASN 39 2HB ASN 39 1.973 -5.416 2.773 256 2HB ASN 39 1HB ASN 39 1.774 -7.134 2.426 257 1HD2 ASN 39 1HD2 ASN 39 3.015 -5.837 4.852 258 2HD2 ASN 39 2HD2 ASN 39 4.585 -6.474 4.943 259 H ALA 40 H ALA 40 0.514 -5.111 0.350 260 HA ALA 40 HA ALA 40 -0.741 -7.446 -0.718 261 1HB ALA 40 1HB ALA 40 -1.893 -5.298 -2.076 262 2HB ALA 40 2HB ALA 40 -1.339 -4.582 -0.564 263 3HB ALA 40 3HB ALA 40 -2.447 -5.954 -0.535 264 H VAL 41 H VAL 41 1.361 -4.997 -2.029 265 HA VAL 41 HA VAL 41 1.045 -5.744 -4.816 266 HB VAL 41 HB VAL 41 3.193 -4.208 -3.324 267 1HG1 VAL 41 1HG1 VAL 41 4.031 -3.554 -5.552 268 2HG1 VAL 41 2HG1 VAL 41 2.851 -4.622 -6.311 269 3HG1 VAL 41 3HG1 VAL 41 4.147 -5.298 -5.325 270 1HG2 VAL 41 1HG2 VAL 41 1.947 -2.359 -3.761 271 2HG2 VAL 41 2HG2 VAL 41 0.622 -3.489 -4.039 272 3HG2 VAL 41 3HG2 VAL 41 1.574 -2.895 -5.400 273 H VAL 42 H VAL 42 3.078 -6.756 -2.128 274 HA VAL 42 HA VAL 42 4.975 -8.262 -3.693 275 HB VAL 42 HB VAL 42 4.088 -8.425 -0.802 276 1HG1 VAL 42 1HG1 VAL 42 6.501 -9.762 -0.979 277 2HG1 VAL 42 2HG1 VAL 42 5.640 -10.326 -2.411 278 3HG1 VAL 42 3HG1 VAL 42 4.922 -10.529 -0.814 279 1HG2 VAL 42 1HG2 VAL 42 6.071 -6.930 -2.330 280 2HG2 VAL 42 2HG2 VAL 42 6.817 -7.846 -1.021 281 3HG2 VAL 42 3HG2 VAL 42 5.532 -6.689 -0.669 282 H GLU 43 H GLU 43 1.819 -8.961 -2.290 283 HA GLU 43 HA GLU 43 1.958 -11.801 -3.034 284 1HB GLU 43 2HB GLU 43 -0.392 -10.140 -2.067 285 2HB GLU 43 1HB GLU 43 -0.348 -11.899 -2.186 286 1HG GLU 43 2HG GLU 43 1.762 -10.476 -0.590 287 2HG GLU 43 1HG GLU 43 0.168 -10.744 0.120 288 H SER 44 H SER 44 1.188 -8.861 -4.570 289 HA SER 44 HA SER 44 -0.675 -10.086 -6.505 290 1HB SER 44 2HB SER 44 -0.720 -7.629 -5.592 291 2HB SER 44 1HB SER 44 0.536 -7.346 -6.796 292 HG SER 44 HG SER 44 -2.103 -8.310 -7.189 293 H ASN 45 H ASN 45 2.615 -10.090 -6.085 294 HA ASN 45 HA ASN 45 4.299 -10.860 -7.544 295 1HB ASN 45 2HB ASN 45 2.270 -11.993 -8.700 296 2HB ASN 45 1HB ASN 45 2.351 -10.647 -9.837 297 1HD2 ASN 45 1HD2 ASN 45 4.980 -12.516 -8.218 298 2HD2 ASN 45 2HD2 ASN 45 5.747 -12.966 -9.662 299 H GLY 46 H GLY 46 2.883 -7.940 -7.435 300 1HA GLY 46 2HA GLY 46 4.122 -5.911 -7.918 301 2HA GLY 46 1HA GLY 46 4.947 -6.762 -9.225 302 H THR 47 H THR 47 1.546 -7.267 -8.995 303 HA THR 47 HA THR 47 1.189 -5.622 -11.453 304 HB THR 47 HB THR 47 -0.731 -6.988 -11.930 305 HG1 THR 47 1HG THR 47 -0.504 -8.577 -9.692 306 1HG2 THR 47 1HG2 THR 47 1.176 -8.985 -10.741 307 2HG2 THR 47 2HG2 THR 47 1.688 -7.967 -12.087 308 3HG2 THR 47 3HG2 THR 47 0.313 -9.053 -12.278 309 H LEU 48 H LEU 48 0.895 -5.145 -8.252 310 HA LEU 48 HA LEU 48 -1.693 -3.674 -8.478 311 1HB LEU 48 2HB LEU 48 -1.398 -5.369 -6.618 312 2HB LEU 48 1HB LEU 48 -0.150 -4.316 -5.952 313 HG LEU 48 HG LEU 48 -2.766 -3.061 -6.635 314 1HD1 LEU 48 1HD1 LEU 48 -2.351 -5.154 -4.537 315 2HD1 LEU 48 2HD1 LEU 48 -3.791 -4.789 -5.487 316 3HD1 LEU 48 3HD1 LEU 48 -3.346 -3.755 -4.129 317 1HD2 LEU 48 1HD2 LEU 48 -2.010 -1.453 -5.212 318 2HD2 LEU 48 2HD2 LEU 48 -0.445 -2.241 -5.415 319 3HD2 LEU 48 3HD2 LEU 48 -1.459 -2.635 -4.026 320 H THR 49 H THR 49 -1.659 -1.463 -8.410 321 HA THR 49 HA THR 49 0.924 -0.155 -7.650 322 HB THR 49 HB THR 49 0.875 1.208 -9.513 323 HG1 THR 49 1HG THR 49 -1.030 1.816 -10.515 324 1HG2 THR 49 1HG2 THR 49 0.346 -0.107 -11.466 325 2HG2 THR 49 2HG2 THR 49 -0.785 -1.103 -10.549 326 3HG2 THR 49 3HG2 THR 49 0.946 -1.209 -10.226 327 H LEU 50 H LEU 50 -0.189 2.468 -8.074 328 HA LEU 50 HA LEU 50 -2.173 2.598 -5.839 329 1HB LEU 50 2HB LEU 50 0.061 3.393 -5.120 330 2HB LEU 50 1HB LEU 50 0.055 4.566 -6.438 331 HG LEU 50 HG LEU 50 -2.351 5.101 -5.284 332 1HD1 LEU 50 1HD1 LEU 50 -2.033 3.544 -3.443 333 2HD1 LEU 50 2HD1 LEU 50 -1.904 5.186 -2.815 334 3HD1 LEU 50 3HD1 LEU 50 -0.448 4.231 -3.088 335 1HD2 LEU 50 1HD2 LEU 50 -0.223 6.515 -3.894 336 2HD2 LEU 50 2HD2 LEU 50 -1.364 7.123 -5.091 337 3HD2 LEU 50 3HD2 LEU 50 0.134 6.350 -5.612 338 H SER 51 H SER 51 -3.891 4.013 -6.161 339 HA SER 51 HA SER 51 -3.970 5.363 -8.824 340 1HB SER 51 2HB SER 51 -6.574 5.284 -8.109 341 2HB SER 51 1HB SER 51 -5.794 3.989 -9.014 342 HG SER 51 HG SER 51 -6.075 2.748 -7.352 343 H HIS 52 H HIS 52 -4.418 5.717 -5.357 344 HA HIS 52 HA HIS 52 -3.951 8.507 -5.412 345 1HB HIS 52 2HB HIS 52 -6.200 9.401 -4.958 346 2HB HIS 52 1HB HIS 52 -6.150 8.621 -6.538 347 HD1 HIS 52 1HD HIS 52 -7.655 8.323 -3.139 348 HD2 HIS 52 2HD HIS 52 -7.522 6.096 -6.661 349 HE1 HIS 52 1HE HIS 52 -9.426 6.526 -2.917 350 H PHE 53 H PHE 53 -2.889 8.446 -3.515 351 HA PHE 53 HA PHE 53 -3.184 6.798 -1.322 352 1HB PHE 53 2HB PHE 53 -2.588 9.773 -1.266 353 2HB PHE 53 1HB PHE 53 -2.239 8.640 0.032 354 HD1 PHE 53 1HD PHE 53 -1.329 9.695 -3.384 355 HD2 PHE 53 2HD PHE 53 -0.422 7.036 -0.135 356 HE1 PHE 53 1HE PHE 53 0.845 9.138 -4.445 357 HE2 PHE 53 2HE PHE 53 1.748 6.475 -1.198 358 HZ PHE 53 HZ PHE 53 2.383 7.529 -3.351 359 H GLY 54 H GLY 54 -5.297 6.291 -0.666 360 1HA GLY 54 2HA GLY 54 -6.656 7.599 1.274 361 2HA GLY 54 1HA GLY 54 -7.225 8.460 -0.157 362 H LYS 55 H LYS 55 -8.742 6.678 1.684 363 HA LYS 55 HA LYS 55 -9.237 4.161 0.371 364 1HB LYS 55 2HB LYS 55 -9.897 4.638 2.726 365 2HB LYS 55 1HB LYS 55 -11.090 5.796 2.141 366 1HG LYS 55 2HG LYS 55 -11.582 3.453 0.674 367 2HG LYS 55 1HG LYS 55 -11.289 2.905 2.323 368 1HD LYS 55 2HD LYS 55 -13.288 5.009 1.448 369 2HD LYS 55 1HD LYS 55 -13.657 3.401 2.073 370 1HE LYS 55 2HE LYS 55 -12.247 5.612 3.595 371 2HE LYS 55 1HE LYS 55 -13.907 5.081 3.849 372 1HZ LYS 55 1HZ LYS 55 -11.520 3.340 4.135 373 2HZ LYS 55 2HZ LYS 55 -13.127 2.923 4.492 374 3HZ LYS 55 3HZ LYS 55 -12.322 4.090 5.427 375 H CYS 56 H CYS 56 -10.979 3.619 -1.062 376 HA CYS 56 HA CYS 56 -11.733 5.823 -2.847 377 1HB CYS 56 2HB CYS 56 -12.245 2.838 -2.923 378 2HB CYS 56 1HB CYS 56 -12.830 3.956 -4.157 Start of MODEL 10 1 1H ALA 3 1HT ALA 3 8.408 -0.442 -7.622 2 2H ALA 3 2HT ALA 3 7.601 0.820 -8.423 3 3H ALA 3 3HT ALA 3 8.008 -0.600 -9.264 4 HA ALA 3 HA ALA 3 6.162 -1.628 -8.642 5 1HB ALA 3 1HB ALA 3 5.463 -1.510 -6.165 6 2HB ALA 3 2HB ALA 3 6.957 -0.609 -5.912 7 3HB ALA 3 3HB ALA 3 7.018 -2.263 -6.519 8 H VAL 4 H VAL 4 5.773 1.030 -6.309 9 HA VAL 4 HA VAL 4 3.783 2.267 -8.146 10 HB VAL 4 HB VAL 4 2.691 2.594 -5.593 11 1HG1 VAL 4 1HG1 VAL 4 1.054 2.279 -7.129 12 2HG1 VAL 4 2HG1 VAL 4 1.218 0.570 -6.721 13 3HG1 VAL 4 3HG1 VAL 4 2.064 1.228 -8.122 14 1HG2 VAL 4 1HG2 VAL 4 2.455 0.312 -4.725 15 2HG2 VAL 4 2HG2 VAL 4 4.160 0.753 -4.788 16 3HG2 VAL 4 3HG2 VAL 4 3.477 -0.308 -6.021 17 H SER 5 H SER 5 2.890 4.254 -6.428 18 HA SER 5 HA SER 5 5.307 5.945 -6.266 19 1HB SER 5 2HB SER 5 2.931 6.578 -7.224 20 2HB SER 5 1HB SER 5 2.545 6.873 -5.530 21 HG SER 5 HG SER 5 4.234 8.233 -7.258 22 H VAL 6 H VAL 6 4.890 3.759 -4.330 23 HA VAL 6 HA VAL 6 4.519 5.340 -1.821 24 HB VAL 6 HB VAL 6 2.954 3.533 -1.866 25 1HG1 VAL 6 1HG1 VAL 6 5.310 1.949 -2.892 26 2HG1 VAL 6 2HG1 VAL 6 3.732 2.177 -3.646 27 3HG1 VAL 6 3HG1 VAL 6 3.888 1.152 -2.219 28 1HG2 VAL 6 1HG2 VAL 6 4.253 3.774 0.261 29 2HG2 VAL 6 2HG2 VAL 6 5.375 2.545 -0.323 30 3HG2 VAL 6 3HG2 VAL 6 3.692 2.125 -0.011 31 H ASP 7 H ASP 7 5.982 4.546 0.012 32 HA ASP 7 HA ASP 7 8.730 4.294 -1.057 33 1HB ASP 7 2HB ASP 7 7.686 5.781 0.999 34 2HB ASP 7 1HB ASP 7 8.368 4.407 1.862 35 H CYS 8 H CYS 8 8.208 1.980 -1.693 36 HA CYS 8 HA CYS 8 8.014 0.080 0.554 37 1HB CYS 8 2HB CYS 8 8.393 -0.479 -2.405 38 2HB CYS 8 1HB CYS 8 7.912 -1.640 -1.167 39 H SER 9 H SER 9 10.217 1.379 1.101 40 HA SER 9 HA SER 9 12.665 1.099 -0.025 41 1HB SER 9 2HB SER 9 12.152 0.273 2.843 42 2HB SER 9 1HB SER 9 13.656 0.906 2.181 43 HG SER 9 HG SER 9 12.367 2.803 1.599 44 H GLU 10 H GLU 10 11.828 -1.489 2.296 45 HA GLU 10 HA GLU 10 12.820 -3.456 0.283 46 1HB GLU 10 2HB GLU 10 13.888 -4.655 2.292 47 2HB GLU 10 1HB GLU 10 14.697 -3.196 1.717 48 1HG GLU 10 2HG GLU 10 14.318 -2.109 3.659 49 2HG GLU 10 1HG GLU 10 12.622 -2.601 3.684 50 H TYR 11 H TYR 11 10.454 -3.801 0.035 51 HA TYR 11 HA TYR 11 9.157 -5.164 2.336 52 1HB TYR 11 2HB TYR 11 8.214 -3.825 -0.151 53 2HB TYR 11 1HB TYR 11 7.257 -5.195 0.413 54 HD1 TYR 11 1HD TYR 11 5.743 -4.936 2.210 55 HD2 TYR 11 2HD TYR 11 8.812 -1.998 1.570 56 HE1 TYR 11 1HE TYR 11 4.743 -3.506 3.972 57 HE2 TYR 11 2HE TYR 11 7.811 -0.567 3.329 58 HH TYR 11 HH TYR 11 6.356 -0.903 5.360 59 HA PRO 12 HA PRO 12 7.020 -6.242 1.906 60 1HB PRO 12 2HB PRO 12 6.273 -8.662 2.973 61 2HB PRO 12 1HB PRO 12 5.783 -8.108 1.363 62 1HG PRO 12 2HG PRO 12 7.810 -10.165 2.101 63 2HG PRO 12 1HG PRO 12 6.855 -10.015 0.617 64 1HD PRO 12 2HD PRO 12 9.570 -9.271 0.927 65 2HD PRO 12 1HD PRO 12 8.517 -8.838 -0.435 66 H LYS 13 H LYS 13 6.423 -6.633 4.348 67 HA LYS 13 HA LYS 13 8.969 -6.906 5.897 68 1HB LYS 13 2HB LYS 13 6.637 -5.014 6.200 69 2HB LYS 13 1HB LYS 13 7.724 -5.346 7.547 70 1HG LYS 13 2HG LYS 13 9.637 -4.574 6.276 71 2HG LYS 13 1HG LYS 13 8.652 -4.402 4.821 72 1HD LYS 13 2HD LYS 13 7.826 -2.400 5.482 73 2HD LYS 13 1HD LYS 13 7.569 -2.957 7.135 74 1HE LYS 13 2HE LYS 13 9.344 -1.702 7.730 75 2HE LYS 13 1HE LYS 13 10.351 -2.858 6.859 76 1HZ LYS 13 1HZ LYS 13 9.964 -1.551 4.830 77 2HZ LYS 13 2HZ LYS 13 10.760 -0.655 6.035 78 3HZ LYS 13 3HZ LYS 13 9.106 -0.406 5.739 79 HA PRO 14 HA PRO 14 6.972 -9.945 8.345 80 1HB PRO 14 2HB PRO 14 8.166 -9.489 10.779 81 2HB PRO 14 1HB PRO 14 8.989 -10.260 9.413 82 1HG PRO 14 2HG PRO 14 9.308 -7.493 10.479 83 2HG PRO 14 1HG PRO 14 10.472 -8.498 9.599 84 1HD PRO 14 2HD PRO 14 8.955 -6.380 8.498 85 2HD PRO 14 1HD PRO 14 9.852 -7.607 7.579 86 H ALA 15 H ALA 15 6.587 -6.604 9.121 87 HA ALA 15 HA ALA 15 4.011 -7.181 10.410 88 1HB ALA 15 1HB ALA 15 6.404 -6.419 11.939 89 2HB ALA 15 2HB ALA 15 4.880 -7.107 12.502 90 3HB ALA 15 3HB ALA 15 5.016 -5.370 12.231 91 H CYS 16 H CYS 16 3.068 -4.887 11.154 92 HA CYS 16 HA CYS 16 3.757 -2.951 8.980 93 1HB CYS 16 2HB CYS 16 1.079 -3.621 10.223 94 2HB CYS 16 1HB CYS 16 1.339 -2.209 9.201 95 H THR 17 H THR 17 2.984 -0.655 9.616 96 HA THR 17 HA THR 17 3.978 -0.145 12.375 97 HB THR 17 HB THR 17 4.300 2.182 11.560 98 HG1 THR 17 1HG THR 17 2.771 1.196 9.535 99 1HG2 THR 17 1HG2 THR 17 6.308 1.631 10.648 100 2HG2 THR 17 2HG2 THR 17 5.572 0.628 9.398 101 3HG2 THR 17 3HG2 THR 17 5.819 -0.023 11.018 102 H MET 18 H MET 18 2.906 1.856 13.426 103 HA MET 18 HA MET 18 -0.012 1.403 13.394 104 1HB MET 18 2HB MET 18 1.966 2.465 15.288 105 2HB MET 18 1HB MET 18 0.474 3.405 15.237 106 1HG MET 18 2HG MET 18 -0.177 0.605 15.178 107 2HG MET 18 1HG MET 18 0.906 0.918 16.535 108 1HE MET 18 1HE MET 18 -3.182 0.907 17.230 109 2HE MET 18 2HE MET 18 -1.834 -0.186 16.930 110 3HE MET 18 3HE MET 18 -2.621 0.622 15.577 111 H GLU 19 H GLU 19 1.781 3.031 11.374 112 HA GLU 19 HA GLU 19 0.710 5.731 11.552 113 1HB GLU 19 2HB GLU 19 2.798 5.525 10.425 114 2HB GLU 19 1HB GLU 19 2.212 4.201 9.419 115 1HG GLU 19 2HG GLU 19 0.766 5.674 8.182 116 2HG GLU 19 1HG GLU 19 1.061 6.999 9.308 117 H TYR 20 H TYR 20 -1.400 6.163 11.121 118 HA TYR 20 HA TYR 20 -3.017 4.291 9.555 119 1HB TYR 20 2HB TYR 20 -3.636 5.946 11.590 120 2HB TYR 20 1HB TYR 20 -4.077 6.982 10.235 121 HD1 TYR 20 1HD TYR 20 -4.952 4.983 8.231 122 HD2 TYR 20 2HD TYR 20 -5.709 5.202 12.453 123 HE1 TYR 20 1HE TYR 20 -7.050 3.697 7.922 124 HE2 TYR 20 2HE TYR 20 -7.805 3.915 12.144 125 HH TYR 20 HH TYR 20 -8.788 2.358 10.544 126 H ARG 21 H ARG 21 -2.973 4.348 7.391 127 HA ARG 21 HA ARG 21 -3.156 6.932 5.983 128 1HB ARG 21 2HB ARG 21 -0.653 5.895 6.360 129 2HB ARG 21 1HB ARG 21 -1.100 5.161 4.819 130 1HG ARG 21 2HG ARG 21 -0.583 7.110 3.818 131 2HG ARG 21 1HG ARG 21 -1.955 7.839 4.652 132 1HD ARG 21 2HD ARG 21 -0.635 8.852 6.219 133 2HD ARG 21 1HD ARG 21 0.505 7.507 6.275 134 HE ARG 21 HE ARG 21 0.803 8.771 3.755 135 1HH1 ARG 21 1HH2 ARG 21 2.900 8.271 5.965 136 2HH1 ARG 21 2HH2 ARG 21 3.447 9.889 6.251 137 1HH2 ARG 21 1HH1 ARG 21 0.774 11.366 4.608 138 2HH2 ARG 21 2HH1 ARG 21 2.244 11.640 5.482 139 HA PRO 22 HA PRO 22 -5.703 3.851 3.890 140 1HB PRO 22 2HB PRO 22 -7.428 5.711 2.830 141 2HB PRO 22 1HB PRO 22 -7.570 5.067 4.473 142 1HG PRO 22 2HG PRO 22 -6.603 7.744 3.582 143 2HG PRO 22 1HG PRO 22 -7.344 7.273 5.121 144 1HD PRO 22 2HD PRO 22 -4.581 7.698 4.671 145 2HD PRO 22 1HD PRO 22 -5.300 6.912 6.094 146 H LEU 23 H LEU 23 -4.809 3.060 2.017 147 HA LEU 23 HA LEU 23 -4.120 5.025 -0.140 148 1HB LEU 23 2HB LEU 23 -2.959 2.254 0.281 149 2HB LEU 23 1HB LEU 23 -2.440 3.438 -0.913 150 HG LEU 23 HG LEU 23 -2.290 3.767 2.098 151 1HD1 LEU 23 1HD1 LEU 23 0.247 3.975 1.205 152 2HD1 LEU 23 2HD1 LEU 23 -0.395 2.870 -0.012 153 3HD1 LEU 23 3HD1 LEU 23 -0.463 2.439 1.697 154 1HD2 LEU 23 1HD2 LEU 23 -0.706 5.678 0.767 155 2HD2 LEU 23 2HD2 LEU 23 -2.206 5.977 1.645 156 3HD2 LEU 23 3HD2 LEU 23 -2.247 5.672 -0.092 157 H CYS 24 H CYS 24 -5.296 4.836 -2.003 158 HA CYS 24 HA CYS 24 -7.200 2.589 -2.230 159 1HB CYS 24 2HB CYS 24 -7.800 5.020 -2.742 160 2HB CYS 24 1HB CYS 24 -6.810 4.864 -4.189 161 H GLY 25 H GLY 25 -5.730 0.835 -2.779 162 1HA GLY 25 2HA GLY 25 -3.673 0.825 -4.650 163 2HA GLY 25 1HA GLY 25 -4.752 -0.555 -4.423 164 H SER 26 H SER 26 -3.571 0.623 -6.951 165 HA SER 26 HA SER 26 -5.455 2.048 -8.474 166 1HB SER 26 2HB SER 26 -3.509 1.764 -9.661 167 2HB SER 26 1HB SER 26 -3.277 0.119 -9.077 168 HG SER 26 HG SER 26 -4.411 -0.614 -10.703 169 H ASP 27 H ASP 27 -5.731 -1.172 -7.256 170 HA ASP 27 HA ASP 27 -7.709 -1.952 -9.301 171 1HB ASP 27 2HB ASP 27 -7.718 -4.093 -8.282 172 2HB ASP 27 1HB ASP 27 -6.042 -3.556 -8.195 173 H ASN 28 H ASN 28 -8.122 0.320 -7.324 174 HA ASN 28 HA ASN 28 -9.967 1.216 -6.182 175 1HB ASN 28 2HB ASN 28 -11.086 -0.142 -8.167 176 2HB ASN 28 1HB ASN 28 -11.617 -1.192 -6.852 177 1HD2 ASN 28 1HD2 ASN 28 -11.650 1.209 -4.955 178 2HD2 ASN 28 2HD2 ASN 28 -13.072 2.042 -5.352 179 H LYS 29 H LYS 29 -8.091 -0.523 -4.781 180 HA LYS 29 HA LYS 29 -9.931 -1.794 -2.791 181 1HB LYS 29 2HB LYS 29 -7.123 -2.408 -3.654 182 2HB LYS 29 1HB LYS 29 -7.652 -2.855 -2.034 183 1HG LYS 29 2HG LYS 29 -9.174 -3.605 -4.542 184 2HG LYS 29 1HG LYS 29 -7.981 -4.658 -3.779 185 1HD LYS 29 2HD LYS 29 -9.328 -5.111 -1.976 186 2HD LYS 29 1HD LYS 29 -10.081 -3.516 -2.005 187 1HE LYS 29 2HE LYS 29 -11.845 -4.386 -3.094 188 2HE LYS 29 1HE LYS 29 -10.785 -4.826 -4.432 189 1HZ LYS 29 1HZ LYS 29 -11.527 -6.448 -2.073 190 2HZ LYS 29 2HZ LYS 29 -10.182 -6.832 -3.038 191 3HZ LYS 29 3HZ LYS 29 -11.739 -6.820 -3.715 192 H THR 30 H THR 30 -9.556 -1.357 -0.550 193 HA THR 30 HA THR 30 -8.166 1.231 -0.097 194 HB THR 30 HB THR 30 -10.210 -0.306 1.525 195 HG1 THR 30 1HG THR 30 -11.503 1.350 0.959 196 1HG2 THR 30 1HG2 THR 30 -9.968 2.080 2.795 197 2HG2 THR 30 2HG2 THR 30 -8.296 1.821 2.296 198 3HG2 THR 30 3HG2 THR 30 -9.112 0.623 3.301 199 H TYR 31 H TYR 31 -6.375 1.355 1.211 200 HA TYR 31 HA TYR 31 -5.414 -1.196 2.421 201 1HB TYR 31 2HB TYR 31 -4.021 1.072 1.053 202 2HB TYR 31 1HB TYR 31 -3.150 0.053 2.188 203 HD1 TYR 31 1HD TYR 31 -3.972 0.441 -1.186 204 HD2 TYR 31 2HD TYR 31 -3.668 -2.584 1.850 205 HE1 TYR 31 1HE TYR 31 -3.746 -1.297 -2.939 206 HE2 TYR 31 2HE TYR 31 -3.442 -4.320 0.095 207 HH TYR 31 HH TYR 31 -3.710 -3.498 -3.348 208 H GLY 32 H GLY 32 -4.019 -0.863 4.352 209 1HA GLY 32 2HA GLY 32 -5.265 1.164 6.115 210 2HA GLY 32 1HA GLY 32 -4.304 -0.214 6.651 211 H ASN 33 H ASN 33 -2.276 0.536 4.463 212 HA ASN 33 HA ASN 33 -1.226 3.109 4.904 213 1HB ASN 33 2HB ASN 33 0.566 2.638 6.582 214 2HB ASN 33 1HB ASN 33 -1.052 2.565 7.271 215 1HD2 ASN 33 1HD2 ASN 33 0.645 1.194 8.797 216 2HD2 ASN 33 2HD2 ASN 33 0.582 -0.479 8.520 217 H LYS 34 H LYS 34 1.354 2.972 4.722 218 HA LYS 34 HA LYS 34 1.954 1.878 2.191 219 1HB LYS 34 2HB LYS 34 3.623 2.876 4.482 220 2HB LYS 34 1HB LYS 34 4.407 2.124 3.093 221 1HG LYS 34 2HG LYS 34 3.005 3.735 1.652 222 2HG LYS 34 1HG LYS 34 2.697 4.612 3.152 223 1HD LYS 34 2HD LYS 34 5.530 3.889 2.625 224 2HD LYS 34 1HD LYS 34 4.832 5.118 1.568 225 1HE LYS 34 2HE LYS 34 4.328 6.555 3.383 226 2HE LYS 34 1HE LYS 34 4.527 5.266 4.568 227 1HZ LYS 34 1HZ LYS 34 6.430 7.073 3.800 228 2HZ LYS 34 2HZ LYS 34 6.878 5.644 2.998 229 3HZ LYS 34 3HZ LYS 34 6.697 5.652 4.687 230 H CYS 35 H CYS 35 1.854 0.326 5.295 231 HA CYS 35 HA CYS 35 3.687 -1.826 4.555 232 1HB CYS 35 2HB CYS 35 3.350 -1.285 6.922 233 2HB CYS 35 1HB CYS 35 1.630 -1.655 6.778 234 H ASN 36 H ASN 36 0.182 -1.334 4.564 235 HA ASN 36 HA ASN 36 -0.334 -4.057 3.623 236 1HB ASN 36 2HB ASN 36 -1.826 -2.061 4.884 237 2HB ASN 36 1HB ASN 36 -2.491 -2.136 3.255 238 1HD2 ASN 36 1HD2 ASN 36 -1.576 -4.293 5.988 239 2HD2 ASN 36 2HD2 ASN 36 -2.774 -5.454 5.673 240 H PHE 37 H PHE 37 0.644 -1.118 2.234 241 HA PHE 37 HA PHE 37 -0.620 -1.642 -0.383 242 1HB PHE 37 2HB PHE 37 -0.331 0.689 0.573 243 2HB PHE 37 1HB PHE 37 1.406 0.494 0.334 244 HD1 PHE 37 1HD PHE 37 2.034 1.826 -1.490 245 HD2 PHE 37 2HD PHE 37 -1.516 -0.579 -1.749 246 HE1 PHE 37 1HE PHE 37 1.782 2.453 -3.876 247 HE2 PHE 37 2HE PHE 37 -1.769 0.051 -4.135 248 HZ PHE 37 HZ PHE 37 -0.119 1.567 -5.198 249 H CYS 38 H CYS 38 2.682 -1.435 0.967 250 HA CYS 38 HA CYS 38 3.947 -2.306 -1.479 251 1HB CYS 38 2HB CYS 38 4.941 -2.329 1.385 252 2HB CYS 38 1HB CYS 38 5.949 -2.630 -0.030 253 H ASN 39 H ASN 39 2.543 -3.939 1.284 254 HA ASN 39 HA ASN 39 3.737 -6.525 0.631 255 1HB ASN 39 2HB ASN 39 1.903 -5.456 2.683 256 2HB ASN 39 1HB ASN 39 1.549 -7.112 2.189 257 1HD2 ASN 39 1HD2 ASN 39 2.715 -8.669 3.319 258 2HD2 ASN 39 2HD2 ASN 39 4.221 -8.413 4.060 259 H ALA 40 H ALA 40 0.545 -5.011 0.209 260 HA ALA 40 HA ALA 40 -0.713 -7.211 -1.092 261 1HB ALA 40 1HB ALA 40 -1.176 -4.345 -1.928 262 2HB ALA 40 2HB ALA 40 -1.726 -4.922 -0.355 263 3HB ALA 40 3HB ALA 40 -2.345 -5.663 -1.832 264 H VAL 41 H VAL 41 1.674 -4.911 -2.071 265 HA VAL 41 HA VAL 41 1.474 -5.389 -4.929 266 HB VAL 41 HB VAL 41 3.549 -4.116 -3.139 267 1HG1 VAL 41 1HG1 VAL 41 5.061 -4.702 -4.740 268 2HG1 VAL 41 2HG1 VAL 41 4.308 -3.401 -5.660 269 3HG1 VAL 41 3HG1 VAL 41 3.809 -5.072 -5.927 270 1HG2 VAL 41 1HG2 VAL 41 2.247 -2.747 -5.439 271 2HG2 VAL 41 2HG2 VAL 41 2.647 -2.123 -3.839 272 3HG2 VAL 41 3HG2 VAL 41 1.216 -3.130 -4.061 273 H VAL 42 H VAL 42 3.367 -6.738 -2.252 274 HA VAL 42 HA VAL 42 4.984 -8.402 -4.041 275 HB VAL 42 HB VAL 42 4.611 -8.493 -1.031 276 1HG1 VAL 42 1HG1 VAL 42 6.188 -10.110 -2.966 277 2HG1 VAL 42 2HG1 VAL 42 5.546 -10.558 -1.387 278 3HG1 VAL 42 3HG1 VAL 42 7.029 -9.609 -1.498 279 1HG2 VAL 42 1HG2 VAL 42 5.758 -6.522 -1.256 280 2HG2 VAL 42 2HG2 VAL 42 6.316 -6.917 -2.883 281 3HG2 VAL 42 3HG2 VAL 42 7.137 -7.599 -1.478 282 H GLU 43 H GLU 43 1.829 -8.578 -2.824 283 HA GLU 43 HA GLU 43 1.801 -11.553 -2.899 284 1HB GLU 43 2HB GLU 43 -0.414 -9.635 -2.113 285 2HB GLU 43 1HB GLU 43 -0.411 -11.385 -1.891 286 1HG GLU 43 2HG GLU 43 1.989 -10.277 -0.749 287 2HG GLU 43 1HG GLU 43 0.585 -9.423 -0.105 288 H SER 44 H SER 44 0.825 -8.751 -4.710 289 HA SER 44 HA SER 44 -1.047 -10.291 -6.390 290 1HB SER 44 2HB SER 44 -1.081 -7.706 -5.706 291 2HB SER 44 1HB SER 44 -0.101 -7.565 -7.160 292 HG SER 44 HG SER 44 -1.957 -9.117 -7.920 293 H ASN 45 H ASN 45 2.215 -10.212 -6.193 294 HA ASN 45 HA ASN 45 3.822 -11.050 -7.705 295 1HB ASN 45 2HB ASN 45 1.399 -11.802 -8.887 296 2HB ASN 45 1HB ASN 45 2.260 -10.929 -10.154 297 1HD2 ASN 45 1HD2 ASN 45 4.797 -11.594 -10.125 298 2HD2 ASN 45 2HD2 ASN 45 5.072 -13.270 -10.062 299 H GLY 46 H GLY 46 2.527 -8.117 -7.539 300 1HA GLY 46 2HA GLY 46 3.787 -6.138 -8.159 301 2HA GLY 46 1HA GLY 46 4.436 -7.023 -9.539 302 H THR 47 H THR 47 1.191 -7.748 -9.378 303 HA THR 47 HA THR 47 0.625 -5.935 -11.628 304 HB THR 47 HB THR 47 -1.725 -7.332 -10.876 305 HG1 THR 47 1HG THR 47 -0.916 -9.441 -10.762 306 1HG2 THR 47 1HG2 THR 47 0.308 -7.399 -13.055 307 2HG2 THR 47 2HG2 THR 47 -1.431 -7.125 -13.148 308 3HG2 THR 47 3HG2 THR 47 -0.805 -8.762 -12.942 309 H LEU 48 H LEU 48 0.765 -5.294 -8.520 310 HA LEU 48 HA LEU 48 -1.886 -3.977 -8.255 311 1HB LEU 48 2HB LEU 48 -0.148 -5.184 -6.417 312 2HB LEU 48 1HB LEU 48 -0.003 -3.454 -6.102 313 HG LEU 48 HG LEU 48 -2.485 -3.295 -6.007 314 1HD1 LEU 48 1HD1 LEU 48 -3.034 -5.207 -7.431 315 2HD1 LEU 48 2HD1 LEU 48 -3.763 -5.430 -5.841 316 3HD1 LEU 48 3HD1 LEU 48 -2.298 -6.311 -6.270 317 1HD2 LEU 48 1HD2 LEU 48 -0.791 -4.848 -4.155 318 2HD2 LEU 48 2HD2 LEU 48 -2.523 -5.108 -3.950 319 3HD2 LEU 48 3HD2 LEU 48 -1.855 -3.481 -3.829 320 H THR 49 H THR 49 -1.925 -1.666 -7.630 321 HA THR 49 HA THR 49 0.487 -0.117 -8.312 322 HB THR 49 HB THR 49 -1.556 1.161 -9.709 323 HG1 THR 49 1HG THR 49 -1.350 -1.589 -10.345 324 1HG2 THR 49 1HG2 THR 49 0.288 1.443 -10.954 325 2HG2 THR 49 2HG2 THR 49 0.104 -0.215 -11.527 326 3HG2 THR 49 3HG2 THR 49 1.091 0.122 -10.105 327 H LEU 50 H LEU 50 -0.819 2.370 -8.536 328 HA LEU 50 HA LEU 50 -2.191 2.639 -5.896 329 1HB LEU 50 2HB LEU 50 -0.011 3.424 -5.420 330 2HB LEU 50 1HB LEU 50 0.161 4.178 -7.004 331 HG LEU 50 HG LEU 50 -1.605 5.815 -6.399 332 1HD1 LEU 50 1HD1 LEU 50 -2.446 5.915 -4.120 333 2HD1 LEU 50 2HD1 LEU 50 -1.414 4.569 -3.640 334 3HD1 LEU 50 3HD1 LEU 50 -2.750 4.300 -4.759 335 1HD2 LEU 50 1HD2 LEU 50 0.438 6.794 -5.961 336 2HD2 LEU 50 2HD2 LEU 50 0.941 5.503 -4.870 337 3HD2 LEU 50 3HD2 LEU 50 -0.184 6.740 -4.311 338 H SER 51 H SER 51 -4.203 3.343 -6.407 339 HA SER 51 HA SER 51 -4.688 4.886 -8.846 340 1HB SER 51 2HB SER 51 -6.691 3.881 -8.638 341 2HB SER 51 1HB SER 51 -6.242 3.265 -7.053 342 HG SER 51 HG SER 51 -7.465 5.729 -7.724 343 H HIS 52 H HIS 52 -4.651 5.475 -5.336 344 HA HIS 52 HA HIS 52 -3.915 8.178 -5.592 345 1HB HIS 52 2HB HIS 52 -5.817 9.426 -5.767 346 2HB HIS 52 1HB HIS 52 -6.477 7.965 -6.489 347 HD1 HIS 52 1HD HIS 52 -8.217 6.643 -5.135 348 HD2 HIS 52 2HD HIS 52 -6.664 9.907 -3.060 349 HE1 HIS 52 1HE HIS 52 -9.655 6.928 -3.069 350 H PHE 53 H PHE 53 -2.764 8.148 -3.754 351 HA PHE 53 HA PHE 53 -3.086 6.644 -1.454 352 1HB PHE 53 2HB PHE 53 -1.965 9.385 -1.948 353 2HB PHE 53 1HB PHE 53 -2.093 8.798 -0.296 354 HD1 PHE 53 1HD PHE 53 -1.731 5.976 -2.369 355 HD2 PHE 53 2HD PHE 53 0.529 9.233 -0.709 356 HE1 PHE 53 1HE PHE 53 0.357 4.680 -2.669 357 HE2 PHE 53 2HE PHE 53 2.617 7.933 -1.012 358 HZ PHE 53 HZ PHE 53 2.532 5.657 -1.992 359 H GLY 54 H GLY 54 -5.223 6.384 -0.779 360 1HA GLY 54 2HA GLY 54 -6.327 7.926 1.202 361 2HA GLY 54 1HA GLY 54 -6.949 8.686 -0.267 362 H LYS 55 H LYS 55 -8.341 7.031 1.861 363 HA LYS 55 HA LYS 55 -8.998 4.456 0.936 364 1HB LYS 55 2HB LYS 55 -11.142 4.746 2.142 365 2HB LYS 55 1HB LYS 55 -9.790 5.362 3.095 366 1HG LYS 55 2HG LYS 55 -10.305 7.634 2.518 367 2HG LYS 55 1HG LYS 55 -11.469 7.122 1.294 368 1HD LYS 55 2HD LYS 55 -12.954 6.232 2.984 369 2HD LYS 55 1HD LYS 55 -11.757 6.515 4.249 370 1HE LYS 55 2HE LYS 55 -11.946 8.898 4.009 371 2HE LYS 55 1HE LYS 55 -12.910 8.732 2.540 372 1HZ LYS 55 1HZ LYS 55 -14.527 7.460 4.009 373 2HZ LYS 55 2HZ LYS 55 -14.454 9.146 4.213 374 3HZ LYS 55 3HZ LYS 55 -13.683 8.118 5.325 375 H CYS 56 H CYS 56 -10.406 3.668 -0.623 376 HA CYS 56 HA CYS 56 -11.061 5.451 -2.821 377 1HB CYS 56 2HB CYS 56 -12.194 2.678 -2.494 378 2HB CYS 56 1HB CYS 56 -11.735 3.518 -3.977 Start of MODEL 11 1 1H ALA 3 1HT ALA 3 5.135 1.680 0.944 2 2H ALA 3 2HT ALA 3 5.388 3.291 1.418 3 3H ALA 3 3HT ALA 3 5.880 2.770 -0.121 4 HA ALA 3 HA ALA 3 3.053 2.482 0.579 5 1HB ALA 3 1HB ALA 3 3.976 4.835 1.232 6 2HB ALA 3 2HB ALA 3 2.531 4.746 0.225 7 3HB ALA 3 3HB ALA 3 4.098 5.089 -0.509 8 H VAL 4 H VAL 4 2.230 3.911 -1.732 9 HA VAL 4 HA VAL 4 3.151 2.013 -3.804 10 HB VAL 4 HB VAL 4 0.708 2.509 -3.485 11 1HG1 VAL 4 1HG1 VAL 4 0.882 5.049 -4.943 12 2HG1 VAL 4 2HG1 VAL 4 1.568 5.126 -3.320 13 3HG1 VAL 4 3HG1 VAL 4 -0.107 4.622 -3.547 14 1HG2 VAL 4 1HG2 VAL 4 2.036 1.976 -5.759 15 2HG2 VAL 4 2HG2 VAL 4 1.389 3.556 -6.196 16 3HG2 VAL 4 3HG2 VAL 4 0.296 2.250 -5.743 17 H SER 5 H SER 5 3.527 3.018 -6.063 18 HA SER 5 HA SER 5 4.981 4.346 -7.351 19 1HB SER 5 2HB SER 5 3.138 5.938 -7.163 20 2HB SER 5 1HB SER 5 3.696 6.445 -5.571 21 HG SER 5 HG SER 5 4.321 7.681 -7.609 22 H VAL 6 H VAL 6 5.842 3.241 -4.673 23 HA VAL 6 HA VAL 6 8.262 4.952 -4.375 24 HB VAL 6 HB VAL 6 6.340 4.032 -2.248 25 1HG1 VAL 6 1HG1 VAL 6 8.070 4.386 -0.536 26 2HG1 VAL 6 2HG1 VAL 6 9.273 4.667 -1.794 27 3HG1 VAL 6 3HG1 VAL 6 8.537 3.073 -1.618 28 1HG2 VAL 6 1HG2 VAL 6 6.020 6.288 -2.716 29 2HG2 VAL 6 2HG2 VAL 6 7.724 6.560 -3.082 30 3HG2 VAL 6 3HG2 VAL 6 7.198 6.381 -1.408 31 H ASP 7 H ASP 7 10.015 3.654 -3.172 32 HA ASP 7 HA ASP 7 10.285 1.069 -4.474 33 1HB ASP 7 2HB ASP 7 12.061 2.928 -3.536 34 2HB ASP 7 1HB ASP 7 12.133 1.712 -2.262 35 H CYS 8 H CYS 8 8.941 -0.528 -3.682 36 HA CYS 8 HA CYS 8 8.492 -0.764 -0.774 37 1HB CYS 8 2HB CYS 8 7.489 -2.386 -3.131 38 2HB CYS 8 1HB CYS 8 7.072 -2.731 -1.455 39 H SER 9 H SER 9 11.168 -1.287 -2.195 40 HA SER 9 HA SER 9 11.743 -4.073 -2.146 41 1HB SER 9 2HB SER 9 14.114 -3.360 -1.905 42 2HB SER 9 1HB SER 9 13.272 -2.459 -3.163 43 HG SER 9 HG SER 9 14.223 -1.641 -0.683 44 H GLU 10 H GLU 10 10.986 -1.972 0.427 45 HA GLU 10 HA GLU 10 12.534 -3.470 2.436 46 1HB GLU 10 2HB GLU 10 11.020 -0.965 2.343 47 2HB GLU 10 1HB GLU 10 10.686 -1.901 3.799 48 1HG GLU 10 2HG GLU 10 13.273 -2.181 3.930 49 2HG GLU 10 1HG GLU 10 13.315 -0.803 2.828 50 H TYR 11 H TYR 11 10.625 -4.991 0.858 51 HA TYR 11 HA TYR 11 8.900 -5.950 3.085 52 1HB TYR 11 2HB TYR 11 8.040 -5.273 0.267 53 2HB TYR 11 1HB TYR 11 7.105 -6.355 1.297 54 HD1 TYR 11 1HD TYR 11 5.580 -5.476 2.861 55 HD2 TYR 11 2HD TYR 11 8.672 -2.964 1.251 56 HE1 TYR 11 1HE TYR 11 4.584 -3.509 4.007 57 HE2 TYR 11 2HE TYR 11 7.678 -1.003 2.391 58 HH TYR 11 HH TYR 11 5.518 -0.300 3.286 59 HA PRO 12 HA PRO 12 7.126 -7.406 2.794 60 1HB PRO 12 2HB PRO 12 6.835 -9.794 4.115 61 2HB PRO 12 1HB PRO 12 6.258 -9.512 2.463 62 1HG PRO 12 2HG PRO 12 8.630 -11.071 3.384 63 2HG PRO 12 1HG PRO 12 7.671 -11.255 1.906 64 1HD PRO 12 2HD PRO 12 10.200 -9.996 2.093 65 2HD PRO 12 1HD PRO 12 9.088 -9.903 0.712 66 H LYS 13 H LYS 13 6.758 -6.888 5.027 67 HA LYS 13 HA LYS 13 9.239 -6.946 6.670 68 1HB LYS 13 2HB LYS 13 6.735 -5.275 7.036 69 2HB LYS 13 1HB LYS 13 8.257 -5.088 7.910 70 1HG LYS 13 2HG LYS 13 9.395 -4.668 5.710 71 2HG LYS 13 1HG LYS 13 7.809 -4.678 4.941 72 1HD LYS 13 2HD LYS 13 7.760 -2.460 5.393 73 2HD LYS 13 1HD LYS 13 7.441 -2.943 7.060 74 1HE LYS 13 2HE LYS 13 10.155 -3.205 6.962 75 2HE LYS 13 1HE LYS 13 9.909 -1.855 5.853 76 1HZ LYS 13 1HZ LYS 13 10.183 -1.157 8.183 77 2HZ LYS 13 2HZ LYS 13 8.772 -2.012 8.590 78 3HZ LYS 13 3HZ LYS 13 8.690 -0.687 7.531 79 HA PRO 14 HA PRO 14 7.186 -9.947 9.221 80 1HB PRO 14 2HB PRO 14 9.140 -10.068 11.150 81 2HB PRO 14 1HB PRO 14 9.268 -10.873 9.577 82 1HG PRO 14 2HG PRO 14 10.644 -8.412 10.542 83 2HG PRO 14 1HG PRO 14 11.158 -9.573 9.307 84 1HD PRO 14 2HD PRO 14 10.010 -7.027 8.821 85 2HD PRO 14 1HD PRO 14 10.231 -8.321 7.625 86 H ALA 15 H ALA 15 7.460 -6.721 9.800 87 HA ALA 15 HA ALA 15 5.652 -6.809 12.082 88 1HB ALA 15 1HB ALA 15 7.855 -7.097 13.203 89 2HB ALA 15 2HB ALA 15 7.089 -5.567 13.634 90 3HB ALA 15 3HB ALA 15 8.407 -5.596 12.462 91 H CYS 16 H CYS 16 4.433 -4.923 12.115 92 HA CYS 16 HA CYS 16 5.448 -2.641 10.482 93 1HB CYS 16 2HB CYS 16 2.890 -4.168 10.187 94 2HB CYS 16 1HB CYS 16 2.861 -2.428 9.892 95 H THR 17 H THR 17 3.564 -0.789 10.838 96 HA THR 17 HA THR 17 3.203 -0.623 13.805 97 HB THR 17 HB THR 17 3.296 1.990 12.784 98 HG1 THR 17 1HG THR 17 4.250 1.343 10.913 99 1HG2 THR 17 1HG2 THR 17 5.846 1.068 13.821 100 2HG2 THR 17 2HG2 THR 17 4.506 0.432 14.773 101 3HG2 THR 17 3HG2 THR 17 4.682 2.173 14.549 102 H MET 18 H MET 18 1.528 1.247 14.267 103 HA MET 18 HA MET 18 -0.902 0.566 12.734 104 1HB MET 18 2HB MET 18 -0.809 0.716 15.283 105 2HB MET 18 1HB MET 18 -0.667 2.462 15.086 106 1HG MET 18 2HG MET 18 -2.801 1.650 13.415 107 2HG MET 18 1HG MET 18 -3.034 0.820 14.954 108 1HE MET 18 1HE MET 18 -4.608 3.214 17.109 109 2HE MET 18 2HE MET 18 -3.793 1.662 16.932 110 3HE MET 18 3HE MET 18 -5.145 2.065 15.877 111 H GLU 19 H GLU 19 1.418 2.369 11.795 112 HA GLU 19 HA GLU 19 0.850 5.056 11.629 113 1HB GLU 19 2HB GLU 19 2.697 3.749 10.433 114 2HB GLU 19 1HB GLU 19 1.514 3.433 9.166 115 1HG GLU 19 2HG GLU 19 2.504 5.380 8.368 116 2HG GLU 19 1HG GLU 19 1.145 6.042 9.277 117 H TYR 20 H TYR 20 -0.891 6.231 10.968 118 HA TYR 20 HA TYR 20 -3.080 4.817 9.569 119 1HB TYR 20 2HB TYR 20 -3.109 6.682 11.560 120 2HB TYR 20 1HB TYR 20 -3.378 7.691 10.142 121 HD1 TYR 20 1HD TYR 20 -5.319 7.295 8.660 122 HD2 TYR 20 2HD TYR 20 -4.749 5.056 12.282 123 HE1 TYR 20 1HE TYR 20 -7.679 6.536 8.562 124 HE2 TYR 20 2HE TYR 20 -7.109 4.298 12.185 125 HH TYR 20 HH TYR 20 -9.414 5.712 10.161 126 H ARG 21 H ARG 21 -2.773 4.725 7.431 127 HA ARG 21 HA ARG 21 -2.461 7.240 5.922 128 1HB ARG 21 2HB ARG 21 -0.552 4.899 5.623 129 2HB ARG 21 1HB ARG 21 -0.623 6.287 4.536 130 1HG ARG 21 2HG ARG 21 -0.093 7.796 6.405 131 2HG ARG 21 1HG ARG 21 -0.045 6.421 7.510 132 1HD ARG 21 2HD ARG 21 2.231 6.954 6.857 133 2HD ARG 21 1HD ARG 21 1.777 5.429 6.098 134 HE ARG 21 HE ARG 21 1.221 7.692 4.371 135 1HH1 ARG 21 1HH2 ARG 21 2.337 4.952 3.615 136 2HH1 ARG 21 2HH2 ARG 21 3.930 5.378 3.090 137 1HH2 ARG 21 1HH1 ARG 21 3.853 8.528 4.539 138 2HH2 ARG 21 2HH1 ARG 21 4.792 7.403 3.615 139 HA PRO 22 HA PRO 22 -5.470 4.513 3.956 140 1HB PRO 22 2HB PRO 22 -6.876 6.570 2.792 141 2HB PRO 22 1HB PRO 22 -7.129 6.022 4.459 142 1HG PRO 22 2HG PRO 22 -5.734 8.474 3.480 143 2HG PRO 22 1HG PRO 22 -6.571 8.195 5.016 144 1HD PRO 22 2HD PRO 22 -3.775 8.162 4.645 145 2HD PRO 22 1HD PRO 22 -4.641 7.522 6.058 146 H LEU 23 H LEU 23 -4.537 3.508 2.222 147 HA LEU 23 HA LEU 23 -3.745 5.208 -0.112 148 1HB LEU 23 2HB LEU 23 -2.608 2.617 0.956 149 2HB LEU 23 1HB LEU 23 -2.334 3.124 -0.712 150 HG LEU 23 HG LEU 23 -1.789 5.040 1.542 151 1HD1 LEU 23 1HD1 LEU 23 -0.459 2.511 1.110 152 2HD1 LEU 23 2HD1 LEU 23 -0.140 3.731 2.344 153 3HD1 LEU 23 3HD1 LEU 23 0.651 3.840 0.771 154 1HD2 LEU 23 1HD2 LEU 23 -1.759 5.861 -0.777 155 2HD2 LEU 23 2HD2 LEU 23 -0.611 4.598 -1.221 156 3HD2 LEU 23 3HD2 LEU 23 -0.128 5.875 -0.106 157 H CYS 24 H CYS 24 -5.280 5.004 -1.707 158 HA CYS 24 HA CYS 24 -6.942 2.564 -1.737 159 1HB CYS 24 2HB CYS 24 -7.256 5.295 -2.643 160 2HB CYS 24 1HB CYS 24 -7.598 4.172 -3.959 161 H GLY 25 H GLY 25 -6.111 0.843 -2.780 162 1HA GLY 25 2HA GLY 25 -3.950 1.016 -4.666 163 2HA GLY 25 1HA GLY 25 -4.909 -0.427 -4.341 164 H SER 26 H SER 26 -3.997 0.620 -6.943 165 HA SER 26 HA SER 26 -6.056 1.907 -8.400 166 1HB SER 26 2HB SER 26 -3.724 0.212 -9.056 167 2HB SER 26 1HB SER 26 -5.001 0.227 -10.269 168 HG SER 26 HG SER 26 -4.013 2.025 -10.810 169 H ASP 27 H ASP 27 -6.086 -1.191 -6.955 170 HA ASP 27 HA ASP 27 -7.943 -2.416 -8.852 171 1HB ASP 27 2HB ASP 27 -7.956 -4.283 -7.366 172 2HB ASP 27 1HB ASP 27 -6.305 -3.666 -7.338 173 H ASN 28 H ASN 28 -8.461 0.166 -7.057 174 HA ASN 28 HA ASN 28 -10.437 1.169 -6.297 175 1HB ASN 28 2HB ASN 28 -11.306 -0.972 -7.952 176 2HB ASN 28 1HB ASN 28 -12.289 -1.013 -6.491 177 1HD2 ASN 28 1HD2 ASN 28 -12.644 0.095 -9.453 178 2HD2 ASN 28 2HD2 ASN 28 -13.369 1.606 -9.183 179 H LYS 29 H LYS 29 -8.632 -0.217 -4.525 180 HA LYS 29 HA LYS 29 -10.596 -1.087 -2.437 181 1HB LYS 29 2HB LYS 29 -9.323 -3.033 -3.220 182 2HB LYS 29 1HB LYS 29 -7.808 -2.182 -2.915 183 1HG LYS 29 2HG LYS 29 -8.269 -2.085 -0.538 184 2HG LYS 29 1HG LYS 29 -9.883 -2.750 -0.782 185 1HD LYS 29 2HD LYS 29 -8.748 -4.800 -1.791 186 2HD LYS 29 1HD LYS 29 -7.229 -4.147 -1.176 187 1HE LYS 29 2HE LYS 29 -7.737 -4.664 0.980 188 2HE LYS 29 1HE LYS 29 -9.425 -4.188 0.794 189 1HZ LYS 29 1HZ LYS 29 -9.164 -6.578 1.167 190 2HZ LYS 29 2HZ LYS 29 -8.239 -6.701 -0.252 191 3HZ LYS 29 3HZ LYS 29 -9.875 -6.250 -0.337 192 H THR 30 H THR 30 -9.766 -0.739 -0.193 193 HA THR 30 HA THR 30 -8.099 1.740 -0.080 194 HB THR 30 HB THR 30 -10.233 0.661 1.784 195 HG1 THR 30 1HG THR 30 -10.146 3.204 0.616 196 1HG2 THR 30 1HG2 THR 30 -8.512 3.134 2.106 197 2HG2 THR 30 2HG2 THR 30 -8.337 1.656 3.050 198 3HG2 THR 30 3HG2 THR 30 -9.810 2.617 3.184 199 H TYR 31 H TYR 31 -6.343 1.805 1.375 200 HA TYR 31 HA TYR 31 -5.636 -0.810 2.638 201 1HB TYR 31 2HB TYR 31 -4.026 1.218 1.134 202 2HB TYR 31 1HB TYR 31 -3.246 0.263 2.391 203 HD1 TYR 31 1HD TYR 31 -4.179 0.330 -1.022 204 HD2 TYR 31 2HD TYR 31 -3.755 -2.333 2.322 205 HE1 TYR 31 1HE TYR 31 -4.044 -1.599 -2.574 206 HE2 TYR 31 2HE TYR 31 -3.620 -4.262 0.770 207 HH TYR 31 HH TYR 31 -4.592 -4.196 -2.329 208 H GLY 32 H GLY 32 -4.381 -0.646 4.625 209 1HA GLY 32 2HA GLY 32 -5.345 1.558 6.313 210 2HA GLY 32 1HA GLY 32 -4.462 0.136 6.870 211 H ASN 33 H ASN 33 -2.381 0.557 4.733 212 HA ASN 33 HA ASN 33 -1.174 3.111 5.001 213 1HB ASN 33 2HB ASN 33 0.564 2.681 6.683 214 2HB ASN 33 1HB ASN 33 -1.037 2.537 7.406 215 1HD2 ASN 33 1HD2 ASN 33 0.844 1.233 8.835 216 2HD2 ASN 33 2HD2 ASN 33 0.809 -0.442 8.562 217 H LYS 34 H LYS 34 1.210 3.007 4.437 218 HA LYS 34 HA LYS 34 1.634 1.592 2.057 219 1HB LYS 34 2HB LYS 34 4.076 2.116 2.447 220 2HB LYS 34 1HB LYS 34 2.995 3.504 2.572 221 1HG LYS 34 2HG LYS 34 3.159 3.592 4.904 222 2HG LYS 34 1HG LYS 34 3.658 1.905 5.030 223 1HD LYS 34 2HD LYS 34 5.823 2.466 3.979 224 2HD LYS 34 1HD LYS 34 5.329 4.156 3.871 225 1HE LYS 34 2HE LYS 34 5.039 4.163 6.368 226 2HE LYS 34 1HE LYS 34 5.725 2.538 6.404 227 1HZ LYS 34 1HZ LYS 34 7.568 3.757 4.974 228 2HZ LYS 34 2HZ LYS 34 7.615 3.724 6.671 229 3HZ LYS 34 3HZ LYS 34 7.021 5.094 5.861 230 H CYS 35 H CYS 35 1.805 0.377 5.279 231 HA CYS 35 HA CYS 35 3.739 -1.721 4.750 232 1HB CYS 35 2HB CYS 35 3.406 -1.169 7.045 233 2HB CYS 35 1HB CYS 35 1.654 -1.287 6.897 234 H ASN 36 H ASN 36 0.196 -1.572 4.902 235 HA ASN 36 HA ASN 36 -0.118 -4.312 4.012 236 1HB ASN 36 2HB ASN 36 -1.726 -2.178 5.086 237 2HB ASN 36 1HB ASN 36 -2.496 -2.840 3.654 238 1HD2 ASN 36 1HD2 ASN 36 -0.797 -4.039 6.603 239 2HD2 ASN 36 2HD2 ASN 36 -1.832 -5.362 6.846 240 H PHE 37 H PHE 37 0.607 -1.385 2.444 241 HA PHE 37 HA PHE 37 -0.783 -2.123 -0.059 242 1HB PHE 37 2HB PHE 37 -0.681 0.272 0.589 243 2HB PHE 37 1HB PHE 37 1.082 0.199 0.513 244 HD1 PHE 37 1HD PHE 37 2.263 -0.061 -1.599 245 HD2 PHE 37 2HD PHE 37 -2.027 0.133 -1.474 246 HE1 PHE 37 1HE PHE 37 2.208 0.258 -4.055 247 HE2 PHE 37 2HE PHE 37 -2.084 0.456 -3.936 248 HZ PHE 37 HZ PHE 37 0.038 0.511 -5.221 249 H CYS 38 H CYS 38 2.601 -1.407 0.884 250 HA CYS 38 HA CYS 38 3.786 -2.343 -1.521 251 1HB CYS 38 2HB CYS 38 4.794 -2.118 1.316 252 2HB CYS 38 1HB CYS 38 5.805 -2.817 0.053 253 H ASN 39 H ASN 39 2.656 -3.988 1.357 254 HA ASN 39 HA ASN 39 3.813 -6.562 0.634 255 1HB ASN 39 2HB ASN 39 2.025 -5.517 2.749 256 2HB ASN 39 1HB ASN 39 1.721 -7.192 2.285 257 1HD2 ASN 39 1HD2 ASN 39 3.320 -5.606 4.603 258 2HD2 ASN 39 2HD2 ASN 39 4.700 -6.580 4.776 259 H ALA 40 H ALA 40 0.636 -5.024 0.290 260 HA ALA 40 HA ALA 40 -0.689 -7.239 -0.938 261 1HB ALA 40 1HB ALA 40 -1.738 -5.035 -0.122 262 2HB ALA 40 2HB ALA 40 -2.337 -5.660 -1.657 263 3HB ALA 40 3HB ALA 40 -1.177 -4.332 -1.640 264 H VAL 41 H VAL 41 1.734 -5.038 -2.004 265 HA VAL 41 HA VAL 41 1.317 -5.568 -4.862 266 HB VAL 41 HB VAL 41 3.413 -4.071 -3.277 267 1HG1 VAL 41 1HG1 VAL 41 4.819 -4.766 -4.966 268 2HG1 VAL 41 2HG1 VAL 41 4.044 -3.423 -5.805 269 3HG1 VAL 41 3HG1 VAL 41 3.492 -5.073 -6.086 270 1HG2 VAL 41 1HG2 VAL 41 1.997 -2.363 -3.670 271 2HG2 VAL 41 2HG2 VAL 41 0.935 -3.428 -4.591 272 3HG2 VAL 41 3HG2 VAL 41 2.252 -2.582 -5.402 273 H VAL 42 H VAL 42 3.381 -6.685 -2.222 274 HA VAL 42 HA VAL 42 5.127 -8.261 -3.922 275 HB VAL 42 HB VAL 42 4.548 -8.768 -0.995 276 1HG1 VAL 42 1HG1 VAL 42 6.756 -9.395 -2.934 277 2HG1 VAL 42 2HG1 VAL 42 5.967 -10.457 -1.767 278 3HG1 VAL 42 3HG1 VAL 42 7.122 -9.245 -1.216 279 1HG2 VAL 42 1HG2 VAL 42 5.415 -6.336 -2.120 280 2HG2 VAL 42 2HG2 VAL 42 6.876 -7.118 -1.516 281 3HG2 VAL 42 3HG2 VAL 42 5.523 -6.814 -0.426 282 H GLU 43 H GLU 43 1.907 -8.606 -2.892 283 HA GLU 43 HA GLU 43 1.958 -11.565 -3.125 284 1HB GLU 43 2HB GLU 43 -0.122 -9.564 -2.239 285 2HB GLU 43 1HB GLU 43 -0.547 -11.240 -2.585 286 1HG GLU 43 2HG GLU 43 1.830 -11.091 -0.922 287 2HG GLU 43 1HG GLU 43 0.474 -10.245 -0.171 288 H SER 44 H SER 44 0.574 -8.697 -4.703 289 HA SER 44 HA SER 44 -0.868 -10.217 -6.702 290 1HB SER 44 2HB SER 44 -0.774 -7.545 -5.904 291 2HB SER 44 1HB SER 44 -0.100 -7.527 -7.530 292 HG SER 44 HG SER 44 -1.956 -8.674 -8.217 293 H ASN 45 H ASN 45 2.406 -9.777 -6.220 294 HA ASN 45 HA ASN 45 4.204 -10.460 -7.588 295 1HB ASN 45 2HB ASN 45 2.131 -11.763 -8.738 296 2HB ASN 45 1HB ASN 45 2.546 -10.655 -10.045 297 1HD2 ASN 45 1HD2 ASN 45 3.600 -12.168 -11.441 298 2HD2 ASN 45 2HD2 ASN 45 5.018 -12.992 -11.005 299 H GLY 46 H GLY 46 2.634 -7.705 -7.596 300 1HA GLY 46 2HA GLY 46 3.757 -5.650 -8.296 301 2HA GLY 46 1HA GLY 46 4.395 -6.520 -9.691 302 H THR 47 H THR 47 1.256 -7.512 -9.372 303 HA THR 47 HA THR 47 0.406 -5.708 -11.555 304 HB THR 47 HB THR 47 -1.675 -7.264 -11.434 305 HG1 THR 47 1HG THR 47 -0.635 -9.359 -10.509 306 1HG2 THR 47 1HG2 THR 47 -0.694 -8.507 -13.075 307 2HG2 THR 47 2HG2 THR 47 0.690 -8.927 -12.065 308 3HG2 THR 47 3HG2 THR 47 0.630 -7.359 -12.869 309 H LEU 48 H LEU 48 0.636 -4.898 -8.618 310 HA LEU 48 HA LEU 48 -2.146 -3.822 -8.380 311 1HB LEU 48 2HB LEU 48 -1.512 -5.680 -6.710 312 2HB LEU 48 1HB LEU 48 -0.417 -4.497 -5.998 313 HG LEU 48 HG LEU 48 -2.734 -3.039 -6.240 314 1HD1 LEU 48 1HD1 LEU 48 -3.505 -5.726 -6.581 315 2HD1 LEU 48 2HD1 LEU 48 -4.564 -4.355 -6.251 316 3HD1 LEU 48 3HD1 LEU 48 -3.933 -5.322 -4.919 317 1HD2 LEU 48 1HD2 LEU 48 -1.963 -4.785 -3.881 318 2HD2 LEU 48 2HD2 LEU 48 -2.888 -3.286 -3.822 319 3HD2 LEU 48 3HD2 LEU 48 -1.185 -3.253 -4.279 320 H THR 49 H THR 49 -2.194 -1.622 -8.216 321 HA THR 49 HA THR 49 0.316 -0.228 -7.379 322 HB THR 49 HB THR 49 0.148 1.315 -9.141 323 HG1 THR 49 1HG THR 49 -1.722 1.952 -9.815 324 1HG2 THR 49 1HG2 THR 49 0.279 0.001 -11.082 325 2HG2 THR 49 2HG2 THR 49 -0.985 -1.099 -10.533 326 3HG2 THR 49 3HG2 THR 49 0.617 -1.160 -9.799 327 H LEU 50 H LEU 50 -0.985 2.346 -7.804 328 HA LEU 50 HA LEU 50 -3.061 2.315 -5.657 329 1HB LEU 50 2HB LEU 50 -1.001 3.029 -4.595 330 2HB LEU 50 1HB LEU 50 -0.675 4.170 -5.902 331 HG LEU 50 HG LEU 50 -3.236 4.855 -5.075 332 1HD1 LEU 50 1HD1 LEU 50 -2.000 5.091 -2.498 333 2HD1 LEU 50 2HD1 LEU 50 -2.009 3.392 -2.967 334 3HD1 LEU 50 3HD1 LEU 50 -3.520 4.300 -2.915 335 1HD2 LEU 50 1HD2 LEU 50 -0.784 6.061 -5.434 336 2HD2 LEU 50 2HD2 LEU 50 -1.066 6.297 -3.710 337 3HD2 LEU 50 3HD2 LEU 50 -2.243 6.888 -4.885 338 H SER 51 H SER 51 -4.874 3.358 -6.351 339 HA SER 51 HA SER 51 -4.791 4.877 -8.848 340 1HB SER 51 2HB SER 51 -6.849 3.618 -7.173 341 2HB SER 51 1HB SER 51 -7.351 5.154 -7.875 342 HG SER 51 HG SER 51 -7.186 4.324 -9.839 343 H HIS 52 H HIS 52 -4.862 5.606 -5.420 344 HA HIS 52 HA HIS 52 -4.269 8.339 -5.872 345 1HB HIS 52 2HB HIS 52 -6.266 9.478 -5.689 346 2HB HIS 52 1HB HIS 52 -6.841 8.029 -6.503 347 HD1 HIS 52 1HD HIS 52 -8.054 6.218 -4.974 348 HD2 HIS 52 2HD HIS 52 -7.238 9.846 -3.090 349 HE1 HIS 52 1HE HIS 52 -9.437 6.253 -2.852 350 H PHE 53 H PHE 53 -2.933 8.510 -4.204 351 HA PHE 53 HA PHE 53 -2.793 7.081 -1.846 352 1HB PHE 53 2HB PHE 53 -2.161 9.993 -2.381 353 2HB PHE 53 1HB PHE 53 -1.765 9.200 -0.863 354 HD1 PHE 53 1HD PHE 53 -1.180 9.137 -4.524 355 HD2 PHE 53 2HD PHE 53 0.090 7.697 -0.682 356 HE1 PHE 53 1HE PHE 53 0.878 8.212 -5.552 357 HE2 PHE 53 2HE PHE 53 2.150 6.767 -1.711 358 HZ PHE 53 HZ PHE 53 2.541 7.025 -4.145 359 H GLY 54 H GLY 54 -4.847 6.656 -0.898 360 1HA GLY 54 2HA GLY 54 -5.833 8.085 1.184 361 2HA GLY 54 1HA GLY 54 -6.578 8.929 -0.173 362 H LYS 55 H LYS 55 -8.377 7.827 1.446 363 HA LYS 55 HA LYS 55 -8.959 5.051 0.721 364 1HB LYS 55 2HB LYS 55 -10.890 5.273 2.142 365 2HB LYS 55 1HB LYS 55 -9.567 6.117 2.945 366 1HG LYS 55 2HG LYS 55 -10.377 8.265 2.074 367 2HG LYS 55 1HG LYS 55 -11.675 7.439 1.210 368 1HD LYS 55 2HD LYS 55 -11.833 6.533 3.879 369 2HD LYS 55 1HD LYS 55 -11.589 8.278 3.977 370 1HE LYS 55 2HE LYS 55 -13.768 8.547 3.484 371 2HE LYS 55 1HE LYS 55 -13.437 7.883 1.883 372 1HZ LYS 55 1HZ LYS 55 -13.548 5.661 3.347 373 2HZ LYS 55 2HZ LYS 55 -14.888 6.322 2.540 374 3HZ LYS 55 3HZ LYS 55 -14.654 6.626 4.196 375 H CYS 56 H CYS 56 -11.133 4.517 -0.284 376 HA CYS 56 HA CYS 56 -11.596 6.377 -2.559 377 1HB CYS 56 2HB CYS 56 -12.220 3.446 -2.140 378 2HB CYS 56 1HB CYS 56 -12.830 4.362 -3.519 Start of MODEL 12 1 1H ALA 3 1HT ALA 3 8.460 2.214 -9.013 2 2H ALA 3 2HT ALA 3 7.739 1.359 -7.734 3 3H ALA 3 3HT ALA 3 7.124 2.872 -8.202 4 HA ALA 3 HA ALA 3 7.111 1.282 -10.479 5 1HB ALA 3 1HB ALA 3 5.687 -0.588 -9.728 6 2HB ALA 3 2HB ALA 3 5.882 -0.066 -8.055 7 3HB ALA 3 3HB ALA 3 7.274 -0.659 -8.962 8 H VAL 4 H VAL 4 5.016 1.955 -7.644 9 HA VAL 4 HA VAL 4 3.007 3.083 -9.530 10 HB VAL 4 HB VAL 4 2.108 3.109 -6.798 11 1HG1 VAL 4 1HG1 VAL 4 0.909 1.040 -8.376 12 2HG1 VAL 4 2HG1 VAL 4 1.216 2.435 -9.411 13 3HG1 VAL 4 3HG1 VAL 4 0.251 2.619 -7.948 14 1HG2 VAL 4 1HG2 VAL 4 2.129 0.626 -6.429 15 2HG2 VAL 4 2HG2 VAL 4 3.733 1.354 -6.333 16 3HG2 VAL 4 3HG2 VAL 4 3.250 0.473 -7.782 17 H SER 5 H SER 5 3.627 3.959 -6.156 18 HA SER 5 HA SER 5 4.449 6.678 -7.018 19 1HB SER 5 2HB SER 5 2.166 7.132 -6.757 20 2HB SER 5 1HB SER 5 1.983 5.955 -5.462 21 HG SER 5 HG SER 5 2.105 7.752 -4.320 22 H VAL 6 H VAL 6 5.297 4.096 -5.358 23 HA VAL 6 HA VAL 6 6.967 5.592 -3.486 24 HB VAL 6 HB VAL 6 6.107 4.167 -1.519 25 1HG1 VAL 6 1HG1 VAL 6 4.132 6.188 -2.599 26 2HG1 VAL 6 2HG1 VAL 6 5.696 6.654 -1.933 27 3HG1 VAL 6 3HG1 VAL 6 4.509 5.840 -0.913 28 1HG2 VAL 6 1HG2 VAL 6 3.596 3.669 -1.836 29 2HG2 VAL 6 2HG2 VAL 6 4.733 2.565 -2.609 30 3HG2 VAL 6 3HG2 VAL 6 3.913 3.801 -3.566 31 H ASP 7 H ASP 7 8.531 4.098 -2.407 32 HA ASP 7 HA ASP 7 9.133 1.823 -4.193 33 1HB ASP 7 2HB ASP 7 10.825 3.597 -3.255 34 2HB ASP 7 1HB ASP 7 10.803 2.582 -1.811 35 H CYS 8 H CYS 8 8.628 -0.238 -3.660 36 HA CYS 8 HA CYS 8 7.960 -0.823 -0.802 37 1HB CYS 8 2HB CYS 8 6.864 -2.013 -3.366 38 2HB CYS 8 1HB CYS 8 6.531 -2.667 -1.761 39 H SER 9 H SER 9 10.613 -0.963 -2.098 40 HA SER 9 HA SER 9 11.177 -3.780 -2.583 41 1HB SER 9 2HB SER 9 13.392 -3.100 -2.973 42 2HB SER 9 1HB SER 9 12.463 -1.678 -3.442 43 HG SER 9 HG SER 9 14.374 -1.694 -1.752 44 H GLU 10 H GLU 10 10.627 -1.963 0.205 45 HA GLU 10 HA GLU 10 12.430 -3.596 1.896 46 1HB GLU 10 2HB GLU 10 11.859 -2.103 3.680 47 2HB GLU 10 1HB GLU 10 12.074 -1.090 2.253 48 1HG GLU 10 2HG GLU 10 9.509 -1.461 1.911 49 2HG GLU 10 1HG GLU 10 9.522 -1.905 3.619 50 H TYR 11 H TYR 11 10.381 -5.017 0.538 51 HA TYR 11 HA TYR 11 8.766 -5.923 2.877 52 1HB TYR 11 2HB TYR 11 7.802 -5.187 0.111 53 2HB TYR 11 1HB TYR 11 6.883 -6.290 1.133 54 HD1 TYR 11 1HD TYR 11 5.462 -5.447 2.824 55 HD2 TYR 11 2HD TYR 11 8.475 -2.909 1.112 56 HE1 TYR 11 1HE TYR 11 4.543 -3.512 4.076 57 HE2 TYR 11 2HE TYR 11 7.557 -0.975 2.363 58 HH TYR 11 HH TYR 11 5.927 -0.248 3.688 59 HA PRO 12 HA PRO 12 6.893 -7.308 2.619 60 1HB PRO 12 2HB PRO 12 6.450 -9.718 3.851 61 2HB PRO 12 1HB PRO 12 5.901 -9.346 2.208 62 1HG PRO 12 2HG PRO 12 8.151 -11.089 3.079 63 2HG PRO 12 1HG PRO 12 7.204 -11.144 1.584 64 1HD PRO 12 2HD PRO 12 9.813 -10.053 1.882 65 2HD PRO 12 1HD PRO 12 8.751 -9.875 0.469 66 H LYS 13 H LYS 13 6.494 -6.995 4.921 67 HA LYS 13 HA LYS 13 8.995 -6.987 6.515 68 1HB LYS 13 2HB LYS 13 6.310 -5.630 6.793 69 2HB LYS 13 1HB LYS 13 7.471 -5.650 8.120 70 1HG LYS 13 2HG LYS 13 8.966 -4.278 7.019 71 2HG LYS 13 1HG LYS 13 8.465 -4.839 5.422 72 1HD LYS 13 2HD LYS 13 7.717 -2.524 5.787 73 2HD LYS 13 1HD LYS 13 6.330 -3.609 5.670 74 1HE LYS 13 2HE LYS 13 5.653 -2.739 7.642 75 2HE LYS 13 1HE LYS 13 6.964 -3.665 8.375 76 1HZ LYS 13 1HZ LYS 13 7.245 -0.914 7.295 77 2HZ LYS 13 2HZ LYS 13 8.430 -1.803 8.125 78 3HZ LYS 13 3HZ LYS 13 7.030 -1.285 8.935 79 HA PRO 14 HA PRO 14 7.685 -10.262 9.132 80 1HB PRO 14 2HB PRO 14 8.762 -9.454 11.529 81 2HB PRO 14 1HB PRO 14 9.727 -10.094 10.188 82 1HG PRO 14 2HG PRO 14 9.464 -7.277 11.131 83 2HG PRO 14 1HG PRO 14 10.807 -8.054 10.275 84 1HD PRO 14 2HD PRO 14 8.865 -6.353 9.116 85 2HD PRO 14 1HD PRO 14 10.005 -7.391 8.233 86 H ALA 15 H ALA 15 6.628 -7.046 9.725 87 HA ALA 15 HA ALA 15 4.155 -7.984 10.934 88 1HB ALA 15 1HB ALA 15 4.662 -7.726 13.110 89 2HB ALA 15 2HB ALA 15 5.098 -6.043 12.812 90 3HB ALA 15 3HB ALA 15 6.319 -7.308 12.674 91 H CYS 16 H CYS 16 2.544 -6.347 10.839 92 HA CYS 16 HA CYS 16 3.242 -4.099 9.089 93 1HB CYS 16 2HB CYS 16 1.062 -5.560 9.050 94 2HB CYS 16 1HB CYS 16 0.528 -4.475 10.332 95 H THR 17 H THR 17 3.547 -2.028 9.750 96 HA THR 17 HA THR 17 3.675 -1.472 12.614 97 HB THR 17 HB THR 17 3.899 0.948 11.169 98 HG1 THR 17 1HG THR 17 4.890 0.455 9.372 99 1HG2 THR 17 1HG2 THR 17 6.172 0.862 11.908 100 2HG2 THR 17 2HG2 THR 17 6.149 -0.899 11.982 101 3HG2 THR 17 3HG2 THR 17 5.218 0.043 13.145 102 H MET 18 H MET 18 2.555 0.491 13.527 103 HA MET 18 HA MET 18 -0.277 0.461 12.666 104 1HB MET 18 2HB MET 18 1.150 1.524 15.112 105 2HB MET 18 1HB MET 18 -0.551 1.863 14.792 106 1HG MET 18 2HG MET 18 0.106 -0.970 14.471 107 2HG MET 18 1HG MET 18 0.429 -0.381 16.101 108 1HE MET 18 1HE MET 18 -2.668 -1.163 13.483 109 2HE MET 18 2HE MET 18 -3.134 -2.165 14.855 110 3HE MET 18 3HE MET 18 -1.474 -2.208 14.265 111 H GLU 19 H GLU 19 2.081 1.950 11.317 112 HA GLU 19 HA GLU 19 1.736 4.752 11.661 113 1HB GLU 19 2HB GLU 19 2.667 4.934 9.351 114 2HB GLU 19 1HB GLU 19 3.608 3.846 10.374 115 1HG GLU 19 2HG GLU 19 2.520 1.905 9.393 116 2HG GLU 19 1HG GLU 19 1.441 2.939 8.458 117 H TYR 20 H TYR 20 0.491 6.258 10.342 118 HA TYR 20 HA TYR 20 -2.039 5.019 9.362 119 1HB TYR 20 2HB TYR 20 -1.684 7.055 11.163 120 2HB TYR 20 1HB TYR 20 -1.957 7.946 9.667 121 HD1 TYR 20 1HD TYR 20 -4.012 7.445 8.286 122 HD2 TYR 20 2HD TYR 20 -3.458 5.899 12.255 123 HE1 TYR 20 1HE TYR 20 -6.439 6.956 8.434 124 HE2 TYR 20 2HE TYR 20 -5.884 5.408 12.403 125 HH TYR 20 HH TYR 20 -7.777 5.051 10.983 126 H ARG 21 H ARG 21 -2.281 4.925 7.209 127 HA ARG 21 HA ARG 21 -1.526 7.176 5.501 128 1HB ARG 21 2HB ARG 21 0.126 4.720 5.683 129 2HB ARG 21 1HB ARG 21 -0.263 5.257 4.048 130 1HG ARG 21 2HG ARG 21 0.980 6.969 6.221 131 2HG ARG 21 1HG ARG 21 1.830 6.298 4.828 132 1HD ARG 21 2HD ARG 21 1.202 8.066 3.591 133 2HD ARG 21 1HD ARG 21 -0.491 7.658 3.868 134 HE ARG 21 HE ARG 21 0.041 8.961 6.157 135 1HH1 ARG 21 1HH2 ARG 21 -0.188 9.835 2.926 136 2HH1 ARG 21 2HH2 ARG 21 0.411 11.446 3.134 137 1HH2 ARG 21 1HH1 ARG 21 1.335 10.964 6.440 138 2HH2 ARG 21 2HH1 ARG 21 1.271 12.085 5.121 139 HA PRO 22 HA PRO 22 -5.158 5.018 3.922 140 1HB PRO 22 2HB PRO 22 -6.196 7.244 2.689 141 2HB PRO 22 1HB PRO 22 -6.430 6.875 4.407 142 1HG PRO 22 2HG PRO 22 -4.644 8.909 3.146 143 2HG PRO 22 1HG PRO 22 -5.398 8.918 4.749 144 1HD PRO 22 2HD PRO 22 -2.703 8.272 4.206 145 2HD PRO 22 1HD PRO 22 -3.567 7.931 5.721 146 H LEU 23 H LEU 23 -4.453 3.725 2.227 147 HA LEU 23 HA LEU 23 -3.620 5.133 -0.286 148 1HB LEU 23 2HB LEU 23 -2.730 2.490 0.890 149 2HB LEU 23 1HB LEU 23 -2.501 2.875 -0.824 150 HG LEU 23 HG LEU 23 -1.635 4.954 1.123 151 1HD1 LEU 23 1HD1 LEU 23 0.521 3.078 0.741 152 2HD1 LEU 23 2HD1 LEU 23 -0.842 2.259 1.504 153 3HD1 LEU 23 3HD1 LEU 23 -0.147 3.697 2.252 154 1HD2 LEU 23 1HD2 LEU 23 -1.081 5.534 -1.049 155 2HD2 LEU 23 2HD2 LEU 23 -0.859 3.857 -1.550 156 3HD2 LEU 23 3HD2 LEU 23 0.383 4.663 -0.597 157 H CYS 24 H CYS 24 -5.345 5.054 -1.681 158 HA CYS 24 HA CYS 24 -7.215 2.783 -1.480 159 1HB CYS 24 2HB CYS 24 -7.333 5.493 -2.541 160 2HB CYS 24 1HB CYS 24 -7.955 4.314 -3.698 161 H GLY 25 H GLY 25 -6.133 0.999 -2.326 162 1HA GLY 25 2HA GLY 25 -4.274 0.860 -4.382 163 2HA GLY 25 1HA GLY 25 -5.423 -0.435 -4.051 164 H SER 26 H SER 26 -4.397 0.475 -6.664 165 HA SER 26 HA SER 26 -6.337 2.032 -8.071 166 1HB SER 26 2HB SER 26 -3.970 1.113 -8.787 167 2HB SER 26 1HB SER 26 -4.908 -0.242 -9.406 168 HG SER 26 HG SER 26 -4.536 1.625 -10.854 169 H ASP 27 H ASP 27 -6.617 -1.035 -6.664 170 HA ASP 27 HA ASP 27 -8.599 -2.052 -8.580 171 1HB ASP 27 2HB ASP 27 -8.672 -4.006 -7.184 172 2HB ASP 27 1HB ASP 27 -6.978 -3.521 -7.285 173 H ASN 28 H ASN 28 -8.879 0.470 -6.749 174 HA ASN 28 HA ASN 28 -10.726 1.554 -5.785 175 1HB ASN 28 2HB ASN 28 -11.840 -0.338 -7.512 176 2HB ASN 28 1HB ASN 28 -12.643 -0.637 -5.970 177 1HD2 ASN 28 1HD2 ASN 28 -11.438 2.475 -7.321 178 2HD2 ASN 28 2HD2 ASN 28 -12.950 3.244 -7.291 179 H LYS 29 H LYS 29 -8.891 -0.055 -4.222 180 HA LYS 29 HA LYS 29 -10.750 -0.897 -2.029 181 1HB LYS 29 2HB LYS 29 -9.369 -2.747 -3.149 182 2HB LYS 29 1HB LYS 29 -7.951 -1.974 -2.435 183 1HG LYS 29 2HG LYS 29 -8.463 -2.682 -0.339 184 2HG LYS 29 1HG LYS 29 -10.186 -2.378 -0.557 185 1HD LYS 29 2HD LYS 29 -9.835 -4.470 -2.260 186 2HD LYS 29 1HD LYS 29 -8.632 -4.850 -1.030 187 1HE LYS 29 2HE LYS 29 -10.394 -5.788 0.068 188 2HE LYS 29 1HE LYS 29 -10.745 -4.123 0.534 189 1HZ LYS 29 1HZ LYS 29 -11.747 -4.920 -2.064 190 2HZ LYS 29 2HZ LYS 29 -12.497 -4.014 -0.839 191 3HZ LYS 29 3HZ LYS 29 -12.467 -5.710 -0.748 192 H THR 30 H THR 30 -9.831 -0.543 0.166 193 HA THR 30 HA THR 30 -8.053 1.860 0.171 194 HB THR 30 HB THR 30 -10.220 0.941 2.072 195 HG1 THR 30 1HG THR 30 -10.462 2.353 0.089 196 1HG2 THR 30 1HG2 THR 30 -8.148 3.116 2.482 197 2HG2 THR 30 2HG2 THR 30 -8.310 1.638 3.434 198 3HG2 THR 30 3HG2 THR 30 -9.570 2.872 3.497 199 H TYR 31 H TYR 31 -6.262 1.887 1.596 200 HA TYR 31 HA TYR 31 -5.629 -0.731 2.881 201 1HB TYR 31 2HB TYR 31 -3.954 1.162 1.264 202 2HB TYR 31 1HB TYR 31 -3.205 0.094 2.445 203 HD1 TYR 31 1HD TYR 31 -3.590 0.278 -0.869 204 HD2 TYR 31 2HD TYR 31 -4.745 -2.346 2.327 205 HE1 TYR 31 1HE TYR 31 -3.773 -1.600 -2.477 206 HE2 TYR 31 2HE TYR 31 -4.927 -4.226 0.720 207 HH TYR 31 HH TYR 31 -3.844 -4.757 -1.618 208 H GLY 32 H GLY 32 -4.340 -0.583 4.824 209 1HA GLY 32 2HA GLY 32 -5.102 1.711 6.460 210 2HA GLY 32 1HA GLY 32 -4.206 0.297 7.013 211 H ASN 33 H ASN 33 -2.238 0.690 4.714 212 HA ASN 33 HA ASN 33 -1.005 3.241 4.943 213 1HB ASN 33 2HB ASN 33 0.896 2.561 6.490 214 2HB ASN 33 1HB ASN 33 -0.661 2.839 7.268 215 1HD2 ASN 33 1HD2 ASN 33 0.193 1.343 9.012 216 2HD2 ASN 33 2HD2 ASN 33 0.078 -0.333 8.773 217 H LYS 34 H LYS 34 1.453 3.038 4.430 218 HA LYS 34 HA LYS 34 1.780 1.707 1.961 219 1HB LYS 34 2HB LYS 34 3.405 3.309 3.728 220 2HB LYS 34 1HB LYS 34 4.353 1.952 3.116 221 1HG LYS 34 2HG LYS 34 3.364 2.577 0.801 222 2HG LYS 34 1HG LYS 34 2.950 4.116 1.554 223 1HD LYS 34 2HD LYS 34 5.721 2.900 1.343 224 2HD LYS 34 1HD LYS 34 5.128 4.326 0.488 225 1HE LYS 34 2HE LYS 34 4.949 5.582 2.518 226 2HE LYS 34 1HE LYS 34 5.194 4.143 3.507 227 1HZ LYS 34 1HZ LYS 34 7.345 4.382 1.728 228 2HZ LYS 34 2HZ LYS 34 7.362 4.486 3.423 229 3HZ LYS 34 3HZ LYS 34 7.127 5.882 2.486 230 H CYS 35 H CYS 35 1.832 0.408 5.125 231 HA CYS 35 HA CYS 35 3.644 -1.796 4.609 232 1HB CYS 35 2HB CYS 35 3.363 -1.258 6.887 233 2HB CYS 35 1HB CYS 35 1.618 -1.105 6.729 234 H ASN 36 H ASN 36 0.103 -1.458 4.808 235 HA ASN 36 HA ASN 36 -0.401 -4.147 3.848 236 1HB ASN 36 2HB ASN 36 -1.882 -2.122 5.082 237 2HB ASN 36 1HB ASN 36 -2.576 -2.250 3.469 238 1HD2 ASN 36 1HD2 ASN 36 -1.628 -4.315 6.264 239 2HD2 ASN 36 2HD2 ASN 36 -2.816 -5.496 5.985 240 H PHE 37 H PHE 37 0.477 -1.219 2.334 241 HA PHE 37 HA PHE 37 -0.875 -1.841 -0.215 242 1HB PHE 37 2HB PHE 37 -0.613 0.521 0.556 243 2HB PHE 37 1HB PHE 37 1.137 0.333 0.442 244 HD1 PHE 37 1HD PHE 37 2.138 1.101 -1.508 245 HD2 PHE 37 2HD PHE 37 -1.882 -0.400 -1.675 246 HE1 PHE 37 1HE PHE 37 2.050 1.600 -3.936 247 HE2 PHE 37 2HE PHE 37 -1.974 0.101 -4.103 248 HZ PHE 37 HZ PHE 37 -0.005 1.100 -5.231 249 H CYS 38 H CYS 38 2.457 -1.644 1.024 250 HA CYS 38 HA CYS 38 3.647 -2.527 -1.460 251 1HB CYS 38 2HB CYS 38 4.699 -2.383 1.375 252 2HB CYS 38 1HB CYS 38 5.687 -2.869 -0.002 253 H ASN 39 H ASN 39 2.494 -4.128 1.458 254 HA ASN 39 HA ASN 39 3.664 -6.700 0.782 255 1HB ASN 39 2HB ASN 39 1.753 -5.663 2.821 256 2HB ASN 39 1HB ASN 39 1.650 -7.383 2.440 257 1HD2 ASN 39 1HD2 ASN 39 3.085 -5.366 4.611 258 2HD2 ASN 39 2HD2 ASN 39 4.513 -6.228 4.921 259 H ALA 40 H ALA 40 0.446 -5.235 0.439 260 HA ALA 40 HA ALA 40 -0.780 -7.498 -0.816 261 1HB ALA 40 1HB ALA 40 -1.448 -4.659 -1.582 262 2HB ALA 40 2HB ALA 40 -1.857 -5.263 0.024 263 3HB ALA 40 3HB ALA 40 -2.530 -6.038 -1.410 264 H VAL 41 H VAL 41 1.470 -5.085 -1.855 265 HA VAL 41 HA VAL 41 1.131 -5.589 -4.716 266 HB VAL 41 HB VAL 41 3.222 -4.109 -3.101 267 1HG1 VAL 41 1HG1 VAL 41 2.972 -4.360 -6.116 268 2HG1 VAL 41 2HG1 VAL 41 4.236 -5.101 -5.135 269 3HG1 VAL 41 3HG1 VAL 41 4.130 -3.345 -5.259 270 1HG2 VAL 41 1HG2 VAL 41 0.717 -3.326 -3.663 271 2HG2 VAL 41 2HG2 VAL 41 1.482 -2.859 -5.182 272 3HG2 VAL 41 3HG2 VAL 41 2.065 -2.189 -3.658 273 H VAL 42 H VAL 42 3.180 -6.747 -2.086 274 HA VAL 42 HA VAL 42 5.098 -8.098 -3.766 275 HB VAL 42 HB VAL 42 4.237 -8.584 -0.898 276 1HG1 VAL 42 1HG1 VAL 42 6.382 -9.862 -2.604 277 2HG1 VAL 42 2HG1 VAL 42 5.138 -10.658 -1.641 278 3HG1 VAL 42 3HG1 VAL 42 6.480 -9.838 -0.843 279 1HG2 VAL 42 1HG2 VAL 42 5.618 -6.863 -0.438 280 2HG2 VAL 42 2HG2 VAL 42 5.895 -6.629 -2.164 281 3HG2 VAL 42 3HG2 VAL 42 6.944 -7.705 -1.241 282 H GLU 43 H GLU 43 1.907 -8.878 -2.574 283 HA GLU 43 HA GLU 43 2.087 -11.708 -3.310 284 1HB GLU 43 2HB GLU 43 -0.309 -11.767 -2.751 285 2HB GLU 43 1HB GLU 43 0.595 -10.946 -1.480 286 1HG GLU 43 2HG GLU 43 -0.257 -8.862 -2.026 287 2HG GLU 43 1HG GLU 43 -0.513 -9.294 -3.716 288 H SER 44 H SER 44 1.114 -8.705 -4.801 289 HA SER 44 HA SER 44 -0.153 -10.105 -7.078 290 1HB SER 44 2HB SER 44 -0.183 -7.410 -5.974 291 2HB SER 44 1HB SER 44 0.102 -7.392 -7.710 292 HG SER 44 HG SER 44 -1.760 -9.176 -7.334 293 H ASN 45 H ASN 45 2.954 -9.356 -6.140 294 HA ASN 45 HA ASN 45 4.985 -9.358 -7.302 295 1HB ASN 45 2HB ASN 45 3.138 -10.877 -8.905 296 2HB ASN 45 1HB ASN 45 4.192 -9.939 -9.960 297 1HD2 ASN 45 1HD2 ASN 45 5.577 -11.681 -10.631 298 2HD2 ASN 45 2HD2 ASN 45 6.580 -12.521 -9.549 299 H GLY 46 H GLY 46 2.875 -7.063 -7.427 300 1HA GLY 46 2HA GLY 46 3.543 -4.805 -8.086 301 2HA GLY 46 1HA GLY 46 4.386 -5.502 -9.468 302 H THR 47 H THR 47 1.403 -7.030 -9.036 303 HA THR 47 HA THR 47 0.336 -5.658 -11.412 304 HB THR 47 HB THR 47 -1.493 -7.347 -11.247 305 HG1 THR 47 1HG THR 47 -1.790 -8.117 -9.332 306 1HG2 THR 47 1HG2 THR 47 1.389 -8.218 -11.164 307 2HG2 THR 47 2HG2 THR 47 0.320 -8.076 -12.560 308 3HG2 THR 47 3HG2 THR 47 0.092 -9.390 -11.405 309 H LEU 48 H LEU 48 -0.013 -5.496 -7.992 310 HA LEU 48 HA LEU 48 -2.626 -4.085 -8.179 311 1HB LEU 48 2HB LEU 48 -2.408 -5.711 -6.371 312 2HB LEU 48 1HB LEU 48 -0.937 -4.923 -5.800 313 HG LEU 48 HG LEU 48 -2.700 -2.821 -5.867 314 1HD1 LEU 48 1HD1 LEU 48 -4.810 -3.524 -4.982 315 2HD1 LEU 48 2HD1 LEU 48 -4.239 -5.178 -4.758 316 3HD1 LEU 48 3HD1 LEU 48 -4.505 -4.551 -6.384 317 1HD2 LEU 48 1HD2 LEU 48 -2.959 -3.926 -3.302 318 2HD2 LEU 48 2HD2 LEU 48 -1.720 -2.793 -3.833 319 3HD2 LEU 48 3HD2 LEU 48 -1.413 -4.528 -3.895 320 H THR 49 H THR 49 -2.414 -1.999 -8.763 321 HA THR 49 HA THR 49 -0.065 -0.453 -7.798 322 HB THR 49 HB THR 49 -0.793 1.232 -9.469 323 HG1 THR 49 1HG THR 49 -2.636 -0.570 -10.505 324 1HG2 THR 49 1HG2 THR 49 0.276 0.106 -11.112 325 2HG2 THR 49 2HG2 THR 49 -0.922 -1.189 -11.122 326 3HG2 THR 49 3HG2 THR 49 0.388 -1.207 -9.941 327 H LEU 50 H LEU 50 -1.508 2.071 -8.047 328 HA LEU 50 HA LEU 50 -3.456 1.908 -5.800 329 1HB LEU 50 2HB LEU 50 -1.523 2.546 -4.621 330 2HB LEU 50 1HB LEU 50 -0.931 3.550 -5.946 331 HG LEU 50 HG LEU 50 -3.562 4.402 -5.028 332 1HD1 LEU 50 1HD1 LEU 50 -2.124 3.424 -2.949 333 2HD1 LEU 50 2HD1 LEU 50 -3.209 4.809 -2.804 334 3HD1 LEU 50 3HD1 LEU 50 -1.478 5.062 -3.021 335 1HD2 LEU 50 1HD2 LEU 50 -2.054 5.722 -6.457 336 2HD2 LEU 50 2HD2 LEU 50 -0.844 5.742 -5.173 337 3HD2 LEU 50 3HD2 LEU 50 -2.381 6.574 -4.950 338 H SER 51 H SER 51 -5.213 3.188 -6.205 339 HA SER 51 HA SER 51 -5.354 4.672 -8.698 340 1HB SER 51 2HB SER 51 -7.209 3.375 -7.144 341 2HB SER 51 1HB SER 51 -7.533 5.062 -6.759 342 HG SER 51 HG SER 51 -8.453 5.189 -8.632 343 H HIS 52 H HIS 52 -5.013 5.516 -5.267 344 HA HIS 52 HA HIS 52 -3.959 8.073 -5.832 345 1HB HIS 52 2HB HIS 52 -5.724 9.574 -5.677 346 2HB HIS 52 1HB HIS 52 -6.513 8.244 -6.518 347 HD1 HIS 52 1HD HIS 52 -8.023 6.631 -5.009 348 HD2 HIS 52 2HD HIS 52 -6.772 10.144 -3.146 349 HE1 HIS 52 1HE HIS 52 -9.468 6.905 -2.946 350 H PHE 53 H PHE 53 -2.676 8.190 -4.122 351 HA PHE 53 HA PHE 53 -2.770 6.841 -1.712 352 1HB PHE 53 2HB PHE 53 -1.566 9.404 -2.607 353 2HB PHE 53 1HB PHE 53 -1.705 9.189 -0.864 354 HD1 PHE 53 1HD PHE 53 -0.830 7.058 -3.828 355 HD2 PHE 53 2HD PHE 53 0.168 8.272 0.167 356 HE1 PHE 53 1HE PHE 53 1.134 5.545 -3.861 357 HE2 PHE 53 2HE PHE 53 2.135 6.760 0.135 358 HZ PHE 53 HZ PHE 53 2.615 5.396 -1.879 359 H GLY 54 H GLY 54 -4.920 6.706 -0.878 360 1HA GLY 54 2HA GLY 54 -5.723 8.400 1.137 361 2HA GLY 54 1HA GLY 54 -6.434 9.135 -0.300 362 H LYS 55 H LYS 55 -8.061 8.118 1.733 363 HA LYS 55 HA LYS 55 -8.914 5.406 1.177 364 1HB LYS 55 2HB LYS 55 -9.491 6.209 3.331 365 2HB LYS 55 1HB LYS 55 -10.093 7.739 2.698 366 1HG LYS 55 2HG LYS 55 -11.987 6.562 1.641 367 2HG LYS 55 1HG LYS 55 -11.386 5.027 2.269 368 1HD LYS 55 2HD LYS 55 -11.501 6.139 4.591 369 2HD LYS 55 1HD LYS 55 -12.489 7.374 3.811 370 1HE LYS 55 2HE LYS 55 -13.514 4.892 2.932 371 2HE LYS 55 1HE LYS 55 -13.258 4.727 4.669 372 1HZ LYS 55 1HZ LYS 55 -15.455 5.721 3.835 373 2HZ LYS 55 2HZ LYS 55 -14.552 7.136 3.573 374 3HZ LYS 55 3HZ LYS 55 -14.669 6.475 5.134 375 H CYS 56 H CYS 56 -11.226 4.987 0.382 376 HA CYS 56 HA CYS 56 -11.678 6.684 -2.030 377 1HB CYS 56 2HB CYS 56 -12.370 3.817 -1.367 378 2HB CYS 56 1HB CYS 56 -13.087 4.656 -2.743 Start of MODEL 13 1 1H ALA 3 1HT ALA 3 2.583 5.468 -11.364 2 2H ALA 3 2HT ALA 3 3.675 6.374 -12.299 3 3H ALA 3 3HT ALA 3 2.175 5.912 -12.950 4 HA ALA 3 HA ALA 3 2.091 8.226 -12.348 5 1HB ALA 3 1HB ALA 3 0.507 7.305 -10.103 6 2HB ALA 3 2HB ALA 3 0.323 6.216 -11.478 7 3HB ALA 3 3HB ALA 3 -0.035 7.933 -11.659 8 H VAL 4 H VAL 4 2.051 6.555 -9.196 9 HA VAL 4 HA VAL 4 4.206 8.400 -8.286 10 HB VAL 4 HB VAL 4 1.996 7.793 -6.378 11 1HG1 VAL 4 1HG1 VAL 4 4.107 9.823 -6.837 12 2HG1 VAL 4 2HG1 VAL 4 3.478 9.176 -5.323 13 3HG1 VAL 4 3HG1 VAL 4 2.591 10.437 -6.178 14 1HG2 VAL 4 1HG2 VAL 4 1.760 9.596 -8.789 15 2HG2 VAL 4 2HG2 VAL 4 0.870 9.944 -7.307 16 3HG2 VAL 4 3HG2 VAL 4 0.589 8.431 -8.169 17 H SER 5 H SER 5 2.179 5.660 -7.220 18 HA SER 5 HA SER 5 2.764 3.700 -6.067 19 1HB SER 5 2HB SER 5 4.596 2.548 -6.926 20 2HB SER 5 1HB SER 5 4.295 3.709 -8.216 21 HG SER 5 HG SER 5 6.222 3.810 -6.143 22 H VAL 6 H VAL 6 4.127 2.896 -4.245 23 HA VAL 6 HA VAL 6 5.197 5.197 -2.671 24 HB VAL 6 HB VAL 6 4.900 3.528 -0.730 25 1HG1 VAL 6 1HG1 VAL 6 2.639 4.740 -2.323 26 2HG1 VAL 6 2HG1 VAL 6 3.384 5.345 -0.845 27 3HG1 VAL 6 3HG1 VAL 6 2.346 3.922 -0.788 28 1HG2 VAL 6 1HG2 VAL 6 4.654 1.573 -2.350 29 2HG2 VAL 6 2HG2 VAL 6 3.051 2.204 -2.730 30 3HG2 VAL 6 3HG2 VAL 6 3.422 1.672 -1.091 31 H ASP 7 H ASP 7 6.944 4.374 -1.021 32 HA ASP 7 HA ASP 7 9.039 3.078 -2.658 33 1HB ASP 7 2HB ASP 7 9.384 5.219 -1.280 34 2HB ASP 7 1HB ASP 7 9.362 4.174 0.138 35 H CYS 8 H CYS 8 8.856 0.869 -2.590 36 HA CYS 8 HA CYS 8 8.221 -0.473 -0.025 37 1HB CYS 8 2HB CYS 8 8.642 -1.538 -2.836 38 2HB CYS 8 1HB CYS 8 8.265 -2.548 -1.441 39 H SER 9 H SER 9 10.451 0.662 0.544 40 HA SER 9 HA SER 9 12.958 0.029 -0.273 41 1HB SER 9 2HB SER 9 12.547 -0.480 2.625 42 2HB SER 9 1HB SER 9 13.692 0.591 1.821 43 HG SER 9 HG SER 9 11.870 1.948 1.335 44 H GLU 10 H GLU 10 11.534 -2.092 2.252 45 HA GLU 10 HA GLU 10 12.614 -4.425 0.755 46 1HB GLU 10 2HB GLU 10 13.142 -5.148 3.349 47 2HB GLU 10 1HB GLU 10 14.343 -4.510 2.227 48 1HG GLU 10 2HG GLU 10 13.888 -2.221 3.039 49 2HG GLU 10 1HG GLU 10 12.689 -2.862 4.165 50 H TYR 11 H TYR 11 10.352 -4.818 0.304 51 HA TYR 11 HA TYR 11 8.816 -5.793 2.677 52 1HB TYR 11 2HB TYR 11 8.013 -4.441 0.137 53 2HB TYR 11 1HB TYR 11 6.915 -5.655 0.793 54 HD1 TYR 11 1HD TYR 11 5.502 -5.143 2.624 55 HD2 TYR 11 2HD TYR 11 8.826 -2.577 1.704 56 HE1 TYR 11 1HE TYR 11 4.695 -3.497 4.297 57 HE2 TYR 11 2HE TYR 11 8.020 -0.934 3.377 58 HH TYR 11 HH TYR 11 6.561 -0.561 5.032 59 HA PRO 12 HA PRO 12 6.627 -6.668 2.343 60 1HB PRO 12 2HB PRO 12 5.702 -9.000 3.470 61 2HB PRO 12 1HB PRO 12 5.195 -8.412 1.877 62 1HG PRO 12 2HG PRO 12 7.042 -10.653 2.548 63 2HG PRO 12 1HG PRO 12 6.047 -10.414 1.102 64 1HD PRO 12 2HD PRO 12 8.834 -9.940 1.297 65 2HD PRO 12 1HD PRO 12 7.772 -9.412 -0.025 66 H LYS 13 H LYS 13 6.183 -6.745 4.773 67 HA LYS 13 HA LYS 13 8.647 -7.529 6.279 68 1HB LYS 13 2HB LYS 13 6.854 -5.122 6.726 69 2HB LYS 13 1HB LYS 13 8.239 -5.561 7.726 70 1HG LYS 13 2HG LYS 13 9.730 -5.340 5.780 71 2HG LYS 13 1HG LYS 13 8.352 -4.919 4.764 72 1HD LYS 13 2HD LYS 13 8.020 -2.857 5.854 73 2HD LYS 13 1HD LYS 13 8.968 -3.346 7.259 74 1HE LYS 13 2HE LYS 13 10.881 -2.615 6.318 75 2HE LYS 13 1HE LYS 13 10.548 -3.494 4.824 76 1HZ LYS 13 1HZ LYS 13 8.827 -1.244 5.142 77 2HZ LYS 13 2HZ LYS 13 9.846 -1.647 3.843 78 3HZ LYS 13 3HZ LYS 13 10.459 -0.781 5.171 79 HA PRO 14 HA PRO 14 5.820 -9.814 8.780 80 1HB PRO 14 2HB PRO 14 7.532 -10.303 10.873 81 2HB PRO 14 1HB PRO 14 7.616 -11.150 9.319 82 1HG PRO 14 2HG PRO 14 9.411 -9.030 10.399 83 2HG PRO 14 1HG PRO 14 9.754 -10.288 9.199 84 1HD PRO 14 2HD PRO 14 9.215 -7.556 8.649 85 2HD PRO 14 1HD PRO 14 9.278 -8.875 7.462 86 H ALA 15 H ALA 15 6.523 -6.681 9.321 87 HA ALA 15 HA ALA 15 4.782 -6.570 11.705 88 1HB ALA 15 1HB ALA 15 6.332 -5.137 12.964 89 2HB ALA 15 2HB ALA 15 7.529 -5.280 11.677 90 3HB ALA 15 3HB ALA 15 7.085 -6.697 12.629 91 H CYS 16 H CYS 16 3.313 -4.986 11.324 92 HA CYS 16 HA CYS 16 4.023 -2.872 9.348 93 1HB CYS 16 2HB CYS 16 1.412 -4.052 10.278 94 2HB CYS 16 1HB CYS 16 1.448 -2.470 9.504 95 H THR 17 H THR 17 2.249 -0.885 10.053 96 HA THR 17 HA THR 17 2.881 -0.265 12.900 97 HB THR 17 HB THR 17 3.087 2.189 11.673 98 HG1 THR 17 1HG THR 17 3.188 1.433 9.625 99 1HG2 THR 17 1HG2 THR 17 5.421 0.314 12.065 100 2HG2 THR 17 2HG2 THR 17 4.544 1.030 13.418 101 3HG2 THR 17 3HG2 THR 17 5.392 2.066 12.270 102 H MET 18 H MET 18 1.501 1.553 13.730 103 HA MET 18 HA MET 18 -1.248 1.235 12.746 104 1HB MET 18 2HB MET 18 -0.302 1.533 15.232 105 2HB MET 18 1HB MET 18 -0.559 3.236 14.856 106 1HG MET 18 2HG MET 18 -2.831 1.731 13.944 107 2HG MET 18 1HG MET 18 -2.509 1.316 15.628 108 1HE MET 18 1HE MET 18 -4.309 4.073 13.382 109 2HE MET 18 2HE MET 18 -5.342 4.106 14.807 110 3HE MET 18 3HE MET 18 -4.814 2.561 14.145 111 H GLU 19 H GLU 19 1.121 2.918 11.452 112 HA GLU 19 HA GLU 19 0.444 5.638 11.385 113 1HB GLU 19 2HB GLU 19 2.429 4.706 10.249 114 2HB GLU 19 1HB GLU 19 1.383 3.913 9.070 115 1HG GLU 19 2HG GLU 19 1.261 5.800 7.851 116 2HG GLU 19 1HG GLU 19 0.677 6.700 9.251 117 H TYR 20 H TYR 20 -1.490 6.568 10.902 118 HA TYR 20 HA TYR 20 -3.529 5.076 9.424 119 1HB TYR 20 2HB TYR 20 -3.605 7.098 11.293 120 2HB TYR 20 1HB TYR 20 -4.006 7.932 9.794 121 HD1 TYR 20 1HD TYR 20 -4.740 4.524 11.193 122 HD2 TYR 20 2HD TYR 20 -6.295 8.144 9.481 123 HE1 TYR 20 1HE TYR 20 -7.028 3.571 11.254 124 HE2 TYR 20 2HE TYR 20 -8.583 7.190 9.542 125 HH TYR 20 HH TYR 20 -9.729 5.176 9.713 126 H ARG 21 H ARG 21 -2.835 4.844 7.335 127 HA ARG 21 HA ARG 21 -2.700 7.347 5.729 128 1HB ARG 21 2HB ARG 21 -0.453 5.889 6.297 129 2HB ARG 21 1HB ARG 21 -0.972 5.148 4.783 130 1HG ARG 21 2HG ARG 21 0.456 6.962 4.164 131 2HG ARG 21 1HG ARG 21 -1.190 7.518 3.854 132 1HD ARG 21 2HD ARG 21 -0.589 8.129 6.571 133 2HD ARG 21 1HD ARG 21 0.777 8.669 5.594 134 HE ARG 21 HE ARG 21 -1.119 9.785 4.155 135 1HH1 ARG 21 1HH2 ARG 21 -0.014 10.962 6.869 136 2HH1 ARG 21 2HH2 ARG 21 -1.492 11.587 7.519 137 1HH2 ARG 21 1HH1 ARG 21 -3.512 9.868 5.284 138 2HH2 ARG 21 2HH1 ARG 21 -3.475 10.968 6.622 139 HA PRO 22 HA PRO 22 -5.717 4.649 3.749 140 1HB PRO 22 2HB PRO 22 -6.970 6.693 2.405 141 2HB PRO 22 1HB PRO 22 -7.328 6.260 4.085 142 1HG PRO 22 2HG PRO 22 -5.780 8.583 3.031 143 2HG PRO 22 1HG PRO 22 -6.692 8.436 4.542 144 1HD PRO 22 2HD PRO 22 -3.886 8.259 4.297 145 2HD PRO 22 1HD PRO 22 -4.838 7.750 5.708 146 H LEU 23 H LEU 23 -5.237 3.568 1.888 147 HA LEU 23 HA LEU 23 -3.992 5.095 -0.357 148 1HB LEU 23 2HB LEU 23 -3.146 2.455 0.846 149 2HB LEU 23 1HB LEU 23 -2.663 2.938 -0.778 150 HG LEU 23 HG LEU 23 -2.197 4.654 1.670 151 1HD1 LEU 23 1HD1 LEU 23 -0.087 3.714 1.952 152 2HD1 LEU 23 2HD1 LEU 23 -0.016 3.120 0.294 153 3HD1 LEU 23 3HD1 LEU 23 -1.019 2.290 1.485 154 1HD2 LEU 23 1HD2 LEU 23 -1.388 4.737 -1.230 155 2HD2 LEU 23 2HD2 LEU 23 -0.388 5.519 -0.006 156 3HD2 LEU 23 3HD2 LEU 23 -2.063 6.025 -0.233 157 H CYS 24 H CYS 24 -5.466 4.992 -1.996 158 HA CYS 24 HA CYS 24 -7.287 2.675 -2.169 159 1HB CYS 24 2HB CYS 24 -8.014 5.102 -2.561 160 2HB CYS 24 1HB CYS 24 -7.125 5.017 -4.082 161 H GLY 25 H GLY 25 -5.606 1.104 -2.712 162 1HA GLY 25 2HA GLY 25 -3.710 1.173 -4.721 163 2HA GLY 25 1HA GLY 25 -4.631 -0.284 -4.347 164 H SER 26 H SER 26 -3.718 0.596 -6.989 165 HA SER 26 HA SER 26 -5.683 1.841 -8.570 166 1HB SER 26 2HB SER 26 -4.535 1.003 -10.399 167 2HB SER 26 1HB SER 26 -3.316 0.803 -9.147 168 HG SER 26 HG SER 26 -4.504 -1.347 -8.884 169 H ASP 27 H ASP 27 -5.893 -1.188 -6.941 170 HA ASP 27 HA ASP 27 -7.965 -2.252 -8.735 171 1HB ASP 27 2HB ASP 27 -7.957 -4.181 -7.343 172 2HB ASP 27 1HB ASP 27 -6.275 -3.663 -7.429 173 H ASN 28 H ASN 28 -8.265 0.334 -7.101 174 HA ASN 28 HA ASN 28 -10.024 1.425 -5.998 175 1HB ASN 28 2HB ASN 28 -11.185 -0.418 -7.754 176 2HB ASN 28 1HB ASN 28 -12.005 -0.695 -6.217 177 1HD2 ASN 28 1HD2 ASN 28 -10.717 2.346 -7.675 178 2HD2 ASN 28 2HD2 ASN 28 -12.195 3.177 -7.599 179 H LYS 29 H LYS 29 -8.238 -0.156 -4.399 180 HA LYS 29 HA LYS 29 -10.159 -1.082 -2.290 181 1HB LYS 29 2HB LYS 29 -7.875 -2.433 -3.479 182 2HB LYS 29 1HB LYS 29 -7.710 -2.297 -1.729 183 1HG LYS 29 2HG LYS 29 -10.296 -3.220 -2.977 184 2HG LYS 29 1HG LYS 29 -8.983 -4.353 -2.656 185 1HD LYS 29 2HD LYS 29 -9.338 -4.311 -0.415 186 2HD LYS 29 1HD LYS 29 -9.580 -2.564 -0.399 187 1HE LYS 29 2HE LYS 29 -11.665 -3.661 0.232 188 2HE LYS 29 1HE LYS 29 -11.863 -2.913 -1.352 189 1HZ LYS 29 1HZ LYS 29 -11.151 -5.185 -2.242 190 2HZ LYS 29 2HZ LYS 29 -12.726 -5.032 -1.623 191 3HZ LYS 29 3HZ LYS 29 -11.513 -5.767 -0.690 192 H THR 30 H THR 30 -9.854 -0.282 -0.237 193 HA THR 30 HA THR 30 -7.881 1.901 0.034 194 HB THR 30 HB THR 30 -10.053 0.927 1.917 195 HG1 THR 30 1HG THR 30 -10.855 1.884 0.042 196 1HG2 THR 30 1HG2 THR 30 -9.124 3.645 2.292 197 2HG2 THR 30 2HG2 THR 30 -7.790 2.502 2.456 198 3HG2 THR 30 3HG2 THR 30 -9.226 2.332 3.467 199 H TYR 31 H TYR 31 -6.075 1.763 1.354 200 HA TYR 31 HA TYR 31 -5.666 -0.841 2.757 201 1HB TYR 31 2HB TYR 31 -3.903 0.823 1.031 202 2HB TYR 31 1HB TYR 31 -3.155 -0.018 2.387 203 HD1 TYR 31 1HD TYR 31 -3.963 -0.320 -0.987 204 HD2 TYR 31 2HD TYR 31 -4.124 -2.548 2.681 205 HE1 TYR 31 1HE TYR 31 -4.046 -2.435 -2.277 206 HE2 TYR 31 2HE TYR 31 -4.206 -4.666 1.390 207 HH TYR 31 HH TYR 31 -4.624 -5.521 -0.708 208 H GLY 32 H GLY 32 -4.483 -0.744 4.749 209 1HA GLY 32 2HA GLY 32 -5.215 1.501 6.396 210 2HA GLY 32 1HA GLY 32 -4.182 0.163 6.894 211 H ASN 33 H ASN 33 -2.310 0.662 4.599 212 HA ASN 33 HA ASN 33 -1.290 3.302 4.660 213 1HB ASN 33 2HB ASN 33 0.601 3.034 6.255 214 2HB ASN 33 1HB ASN 33 -0.966 2.970 7.056 215 1HD2 ASN 33 1HD2 ASN 33 0.385 1.728 8.757 216 2HD2 ASN 33 2HD2 ASN 33 0.567 0.055 8.535 217 H LYS 34 H LYS 34 1.383 2.994 4.531 218 HA LYS 34 HA LYS 34 1.801 1.735 1.998 219 1HB LYS 34 2HB LYS 34 3.118 3.673 2.836 220 2HB LYS 34 1HB LYS 34 3.872 2.617 4.032 221 1HG LYS 34 2HG LYS 34 4.554 1.139 2.031 222 2HG LYS 34 1HG LYS 34 4.135 2.524 1.023 223 1HD LYS 34 2HD LYS 34 5.971 2.853 3.388 224 2HD LYS 34 1HD LYS 34 6.597 2.287 1.838 225 1HE LYS 34 2HE LYS 34 6.043 4.286 0.739 226 2HE LYS 34 1HE LYS 34 4.869 4.750 1.972 227 1HZ LYS 34 1HZ LYS 34 7.623 4.412 2.854 228 2HZ LYS 34 2HZ LYS 34 6.462 5.561 3.322 229 3HZ LYS 34 3HZ LYS 34 7.312 5.753 1.862 230 H CYS 35 H CYS 35 1.882 0.433 5.208 231 HA CYS 35 HA CYS 35 3.776 -1.694 4.610 232 1HB CYS 35 2HB CYS 35 3.219 -0.832 6.927 233 2HB CYS 35 1HB CYS 35 1.663 -1.646 6.777 234 H ASN 36 H ASN 36 0.263 -1.296 4.543 235 HA ASN 36 HA ASN 36 -0.181 -4.092 3.777 236 1HB ASN 36 2HB ASN 36 -1.736 -2.084 4.927 237 2HB ASN 36 1HB ASN 36 -2.381 -2.234 3.295 238 1HD2 ASN 36 1HD2 ASN 36 -1.644 -4.133 6.238 239 2HD2 ASN 36 2HD2 ASN 36 -2.739 -5.385 5.899 240 H PHE 37 H PHE 37 0.697 -1.192 2.232 241 HA PHE 37 HA PHE 37 -0.550 -1.856 -0.351 242 1HB PHE 37 2HB PHE 37 -0.263 0.517 0.422 243 2HB PHE 37 1HB PHE 37 1.483 0.295 0.312 244 HD1 PHE 37 1HD PHE 37 2.615 0.152 -1.811 245 HD2 PHE 37 2HD PHE 37 -1.667 0.464 -1.635 246 HE1 PHE 37 1HE PHE 37 2.551 0.631 -4.242 247 HE2 PHE 37 2HE PHE 37 -1.732 0.943 -4.073 248 HZ PHE 37 HZ PHE 37 0.382 1.026 -5.370 249 H CYS 38 H CYS 38 2.773 -1.619 0.967 250 HA CYS 38 HA CYS 38 4.028 -2.613 -1.427 251 1HB CYS 38 2HB CYS 38 4.910 -2.327 1.442 252 2HB CYS 38 1HB CYS 38 5.935 -3.144 0.265 253 H ASN 39 H ASN 39 2.633 -4.120 1.419 254 HA ASN 39 HA ASN 39 3.701 -6.765 0.804 255 1HB ASN 39 2HB ASN 39 2.217 -5.544 2.946 256 2HB ASN 39 1HB ASN 39 1.359 -6.986 2.405 257 1HD2 ASN 39 1HD2 ASN 39 2.456 -9.066 2.612 258 2HD2 ASN 39 2HD2 ASN 39 3.851 -9.240 3.561 259 H ALA 40 H ALA 40 0.550 -5.161 0.459 260 HA ALA 40 HA ALA 40 -0.775 -7.347 -0.827 261 1HB ALA 40 1HB ALA 40 -1.163 -4.360 -0.801 262 2HB ALA 40 2HB ALA 40 -2.238 -5.621 -0.198 263 3HB ALA 40 3HB ALA 40 -2.089 -5.345 -1.934 264 H VAL 41 H VAL 41 1.671 -5.139 -1.812 265 HA VAL 41 HA VAL 41 1.281 -5.524 -4.688 266 HB VAL 41 HB VAL 41 3.486 -4.265 -3.038 267 1HG1 VAL 41 1HG1 VAL 41 3.215 -4.330 -6.057 268 2HG1 VAL 41 2HG1 VAL 41 4.359 -5.311 -5.138 269 3HG1 VAL 41 3HG1 VAL 41 4.500 -3.553 -5.133 270 1HG2 VAL 41 1HG2 VAL 41 1.986 -2.717 -5.056 271 2HG2 VAL 41 2HG2 VAL 41 2.412 -2.288 -3.400 272 3HG2 VAL 41 3HG2 VAL 41 1.006 -3.304 -3.712 273 H VAL 42 H VAL 42 3.222 -6.904 -2.083 274 HA VAL 42 HA VAL 42 5.017 -8.378 -3.803 275 HB VAL 42 HB VAL 42 4.182 -8.791 -0.920 276 1HG1 VAL 42 1HG1 VAL 42 5.683 -10.505 -2.757 277 2HG1 VAL 42 2HG1 VAL 42 5.059 -10.866 -1.148 278 3HG1 VAL 42 3HG1 VAL 42 6.620 -10.064 -1.330 279 1HG2 VAL 42 1HG2 VAL 42 5.887 -7.384 -0.398 280 2HG2 VAL 42 2HG2 VAL 42 5.782 -6.863 -2.080 281 3HG2 VAL 42 3HG2 VAL 42 6.954 -8.094 -1.609 282 H GLU 43 H GLU 43 1.803 -8.961 -2.541 283 HA GLU 43 HA GLU 43 1.822 -11.792 -3.303 284 1HB GLU 43 2HB GLU 43 -0.461 -11.828 -2.542 285 2HB GLU 43 1HB GLU 43 0.451 -10.840 -1.400 286 1HG GLU 43 2HG GLU 43 -0.379 -8.808 -2.351 287 2HG GLU 43 1HG GLU 43 -1.041 -9.654 -3.749 288 H SER 44 H SER 44 0.865 -8.741 -4.745 289 HA SER 44 HA SER 44 -0.680 -10.013 -6.877 290 1HB SER 44 2HB SER 44 0.061 -7.436 -7.718 291 2HB SER 44 1HB SER 44 -1.468 -7.909 -6.985 292 HG SER 44 HG SER 44 0.894 -7.076 -5.643 293 H ASN 45 H ASN 45 2.632 -9.545 -6.249 294 HA ASN 45 HA ASN 45 4.494 -10.163 -7.555 295 1HB ASN 45 2HB ASN 45 2.772 -11.830 -8.526 296 2HB ASN 45 1HB ASN 45 2.615 -10.686 -9.858 297 1HD2 ASN 45 1HD2 ASN 45 4.563 -13.239 -8.584 298 2HD2 ASN 45 2HD2 ASN 45 5.843 -13.108 -9.692 299 H GLY 46 H GLY 46 3.074 -7.463 -7.583 300 1HA GLY 46 2HA GLY 46 4.040 -5.444 -8.500 301 2HA GLY 46 1HA GLY 46 4.617 -6.382 -9.881 302 H THR 47 H THR 47 1.575 -7.475 -9.447 303 HA THR 47 HA THR 47 0.547 -5.833 -11.652 304 HB THR 47 HB THR 47 -1.392 -7.355 -11.568 305 HG1 THR 47 1HG THR 47 -1.088 -9.125 -9.962 306 1HG2 THR 47 1HG2 THR 47 -0.197 -9.453 -12.038 307 2HG2 THR 47 2HG2 THR 47 1.251 -8.810 -11.261 308 3HG2 THR 47 3HG2 THR 47 0.652 -8.081 -12.750 309 H LEU 48 H LEU 48 0.702 -5.403 -8.369 310 HA LEU 48 HA LEU 48 -1.922 -3.972 -8.267 311 1HB LEU 48 2HB LEU 48 -1.560 -5.712 -6.530 312 2HB LEU 48 1HB LEU 48 -0.119 -4.852 -5.989 313 HG LEU 48 HG LEU 48 -1.619 -2.815 -5.659 314 1HD1 LEU 48 1HD1 LEU 48 -3.624 -4.940 -6.351 315 2HD1 LEU 48 2HD1 LEU 48 -3.585 -3.245 -6.835 316 3HD1 LEU 48 3HD1 LEU 48 -4.067 -3.683 -5.197 317 1HD2 LEU 48 1HD2 LEU 48 -1.508 -3.463 -3.500 318 2HD2 LEU 48 2HD2 LEU 48 -1.143 -5.103 -4.036 319 3HD2 LEU 48 3HD2 LEU 48 -2.815 -4.617 -3.759 320 H THR 49 H THR 49 -1.889 -1.792 -8.188 321 HA THR 49 HA THR 49 0.654 -0.441 -7.400 322 HB THR 49 HB THR 49 0.708 0.877 -9.287 323 HG1 THR 49 1HG THR 49 -1.265 1.230 -10.519 324 1HG2 THR 49 1HG2 THR 49 0.007 -0.466 -11.285 325 2HG2 THR 49 2HG2 THR 49 -0.796 -1.592 -10.189 326 3HG2 THR 49 3HG2 THR 49 0.954 -1.386 -10.117 327 H LEU 50 H LEU 50 -0.591 2.146 -7.979 328 HA LEU 50 HA LEU 50 -2.559 2.229 -5.733 329 1HB LEU 50 2HB LEU 50 -0.277 3.227 -5.247 330 2HB LEU 50 1HB LEU 50 -0.625 4.434 -6.483 331 HG LEU 50 HG LEU 50 -2.761 4.958 -5.206 332 1HD1 LEU 50 1HD1 LEU 50 -1.423 3.658 -2.852 333 2HD1 LEU 50 2HD1 LEU 50 -2.453 2.692 -3.907 334 3HD1 LEU 50 3HD1 LEU 50 -3.119 4.093 -3.066 335 1HD2 LEU 50 1HD2 LEU 50 -0.219 5.944 -4.943 336 2HD2 LEU 50 2HD2 LEU 50 -0.596 5.507 -3.276 337 3HD2 LEU 50 3HD2 LEU 50 -1.636 6.632 -4.149 338 H SER 51 H SER 51 -4.151 3.968 -5.901 339 HA SER 51 HA SER 51 -4.599 4.854 -8.720 340 1HB SER 51 2HB SER 51 -6.223 3.152 -7.223 341 2HB SER 51 1HB SER 51 -7.010 4.721 -7.075 342 HG SER 51 HG SER 51 -7.323 3.178 -9.040 343 H HIS 52 H HIS 52 -4.790 5.627 -5.291 344 HA HIS 52 HA HIS 52 -4.310 8.394 -5.725 345 1HB HIS 52 2HB HIS 52 -6.346 9.272 -6.141 346 2HB HIS 52 1HB HIS 52 -7.009 7.646 -6.214 347 HD1 HIS 52 1HD HIS 52 -8.745 7.121 -4.497 348 HD2 HIS 52 2HD HIS 52 -6.318 10.293 -3.305 349 HE1 HIS 52 1HE HIS 52 -9.698 7.970 -2.310 350 H PHE 53 H PHE 53 -2.991 8.441 -3.975 351 HA PHE 53 HA PHE 53 -3.061 7.017 -1.622 352 1HB PHE 53 2HB PHE 53 -2.394 9.965 -1.873 353 2HB PHE 53 1HB PHE 53 -1.881 8.902 -0.569 354 HD1 PHE 53 1HD PHE 53 -1.383 9.836 -4.075 355 HD2 PHE 53 2HD PHE 53 -0.240 7.105 -0.964 356 HE1 PHE 53 1HE PHE 53 0.580 9.129 -5.416 357 HE2 PHE 53 2HE PHE 53 1.721 6.395 -2.304 358 HZ PHE 53 HZ PHE 53 2.132 7.407 -4.530 359 H GLY 54 H GLY 54 -5.131 6.629 -0.775 360 1HA GLY 54 2HA GLY 54 -6.230 8.101 1.229 361 2HA GLY 54 1HA GLY 54 -6.926 8.883 -0.192 362 H LYS 55 H LYS 55 -8.628 7.618 1.595 363 HA LYS 55 HA LYS 55 -9.170 4.893 0.639 364 1HB LYS 55 2HB LYS 55 -9.609 5.424 2.983 365 2HB LYS 55 1HB LYS 55 -10.694 6.733 2.513 366 1HG LYS 55 2HG LYS 55 -11.868 4.753 1.149 367 2HG LYS 55 1HG LYS 55 -11.134 3.785 2.427 368 1HD LYS 55 2HD LYS 55 -12.947 6.180 2.841 369 2HD LYS 55 1HD LYS 55 -13.394 4.491 3.085 370 1HE LYS 55 2HE LYS 55 -12.475 4.478 5.140 371 2HE LYS 55 1HE LYS 55 -10.952 5.108 4.515 372 1HZ LYS 55 1HZ LYS 55 -13.243 6.547 5.629 373 2HZ LYS 55 2HZ LYS 55 -12.348 7.308 4.401 374 3HZ LYS 55 3HZ LYS 55 -11.584 6.827 5.841 375 H CYS 56 H CYS 56 -10.556 4.400 -1.014 376 HA CYS 56 HA CYS 56 -11.754 6.587 -2.537 377 1HB CYS 56 2HB CYS 56 -11.600 3.601 -2.859 378 2HB CYS 56 1HB CYS 56 -12.717 4.540 -3.850 Start of MODEL 14 1 1H ALA 3 1HT ALA 3 5.495 9.119 -9.380 2 2H ALA 3 2HT ALA 3 5.804 10.725 -9.840 3 3H ALA 3 3HT ALA 3 5.199 9.615 -10.974 4 HA ALA 3 HA ALA 3 3.773 11.297 -9.229 5 1HB ALA 3 1HB ALA 3 3.222 9.376 -11.465 6 2HB ALA 3 2HB ALA 3 2.907 11.108 -11.378 7 3HB ALA 3 3HB ALA 3 1.864 9.979 -10.514 8 H VAL 4 H VAL 4 3.992 7.743 -9.460 9 HA VAL 4 HA VAL 4 2.679 7.625 -6.776 10 HB VAL 4 HB VAL 4 2.223 5.171 -8.183 11 1HG1 VAL 4 1HG1 VAL 4 0.375 7.413 -7.315 12 2HG1 VAL 4 2HG1 VAL 4 0.868 6.032 -6.335 13 3HG1 VAL 4 3HG1 VAL 4 -0.145 5.787 -7.758 14 1HG2 VAL 4 1HG2 VAL 4 2.354 6.250 -10.309 15 2HG2 VAL 4 2HG2 VAL 4 1.534 7.691 -9.713 16 3HG2 VAL 4 3HG2 VAL 4 0.632 6.192 -9.932 17 H SER 5 H SER 5 3.037 5.019 -6.138 18 HA SER 5 HA SER 5 4.633 3.426 -5.486 19 1HB SER 5 2HB SER 5 5.886 2.739 -7.228 20 2HB SER 5 1HB SER 5 5.380 4.176 -8.108 21 HG SER 5 HG SER 5 7.561 4.308 -8.015 22 H VAL 6 H VAL 6 5.674 3.702 -3.580 23 HA VAL 6 HA VAL 6 7.843 5.681 -3.346 24 HB VAL 6 HB VAL 6 5.904 5.886 -1.121 25 1HG1 VAL 6 1HG1 VAL 6 8.152 7.197 -1.833 26 2HG1 VAL 6 2HG1 VAL 6 6.871 7.954 -0.887 27 3HG1 VAL 6 3HG1 VAL 6 6.960 8.226 -2.627 28 1HG2 VAL 6 1HG2 VAL 6 4.468 7.493 -2.361 29 2HG2 VAL 6 2HG2 VAL 6 4.344 5.863 -3.026 30 3HG2 VAL 6 3HG2 VAL 6 5.315 7.081 -3.852 31 H ASP 7 H ASP 7 8.529 5.579 -0.853 32 HA ASP 7 HA ASP 7 9.809 4.126 0.515 33 1HB ASP 7 2HB ASP 7 7.527 4.674 1.477 34 2HB ASP 7 1HB ASP 7 7.048 3.076 0.947 35 H CYS 8 H CYS 8 8.319 1.424 1.043 36 HA CYS 8 HA CYS 8 8.496 -0.786 0.247 37 1HB CYS 8 2HB CYS 8 8.303 0.859 -2.146 38 2HB CYS 8 1HB CYS 8 9.360 -0.527 -2.413 39 H SER 9 H SER 9 10.696 0.775 1.369 40 HA SER 9 HA SER 9 13.156 0.464 0.020 41 1HB SER 9 2HB SER 9 12.522 0.389 2.980 42 2HB SER 9 1HB SER 9 14.158 0.467 2.330 43 HG SER 9 HG SER 9 13.829 2.480 1.724 44 H GLU 10 H GLU 10 11.716 -1.782 2.438 45 HA GLU 10 HA GLU 10 13.168 -3.985 1.054 46 1HB GLU 10 2HB GLU 10 13.977 -4.876 3.176 47 2HB GLU 10 1HB GLU 10 14.539 -3.215 2.996 48 1HG GLU 10 2HG GLU 10 12.244 -2.691 4.255 49 2HG GLU 10 1HG GLU 10 12.486 -4.330 4.857 50 H TYR 11 H TYR 11 10.785 -4.216 0.359 51 HA TYR 11 HA TYR 11 9.169 -5.518 2.496 52 1HB TYR 11 2HB TYR 11 8.500 -4.148 -0.078 53 2HB TYR 11 1HB TYR 11 7.419 -5.421 0.491 54 HD1 TYR 11 1HD TYR 11 5.961 -5.071 2.363 55 HD2 TYR 11 2HD TYR 11 9.017 -2.196 1.430 56 HE1 TYR 11 1HE TYR 11 4.981 -3.489 4.009 57 HE2 TYR 11 2HE TYR 11 8.037 -0.621 3.074 58 HH TYR 11 HH TYR 11 6.580 -0.441 4.803 59 HA PRO 12 HA PRO 12 7.209 -6.716 2.189 60 1HB PRO 12 2HB PRO 12 6.774 -9.148 3.400 61 2HB PRO 12 1HB PRO 12 6.116 -8.705 1.817 62 1HG PRO 12 2HG PRO 12 8.393 -10.524 2.458 63 2HG PRO 12 1HG PRO 12 7.293 -10.549 1.070 64 1HD PRO 12 2HD PRO 12 9.928 -9.547 1.049 65 2HD PRO 12 1HD PRO 12 8.690 -9.231 -0.186 66 H LYS 13 H LYS 13 7.019 -6.334 4.481 67 HA LYS 13 HA LYS 13 9.615 -6.410 5.889 68 1HB LYS 13 2HB LYS 13 6.962 -5.136 6.636 69 2HB LYS 13 1HB LYS 13 8.476 -4.935 7.522 70 1HG LYS 13 2HG LYS 13 9.436 -4.194 5.203 71 2HG LYS 13 1HG LYS 13 7.744 -3.932 4.784 72 1HD LYS 13 2HD LYS 13 7.768 -1.976 5.882 73 2HD LYS 13 1HD LYS 13 8.197 -2.813 7.376 74 1HE LYS 13 2HE LYS 13 10.087 -1.523 7.191 75 2HE LYS 13 1HE LYS 13 10.599 -2.850 6.147 76 1HZ LYS 13 1HZ LYS 13 9.504 -1.550 4.293 77 2HZ LYS 13 2HZ LYS 13 10.956 -0.918 4.907 78 3HZ LYS 13 3HZ LYS 13 9.470 -0.233 5.359 79 HA PRO 14 HA PRO 14 8.521 -9.725 8.535 80 1HB PRO 14 2HB PRO 14 10.022 -9.053 10.738 81 2HB PRO 14 1HB PRO 14 10.711 -9.711 9.243 82 1HG PRO 14 2HG PRO 14 10.796 -6.917 10.277 83 2HG PRO 14 1HG PRO 14 11.916 -7.742 9.178 84 1HD PRO 14 2HD PRO 14 9.900 -5.890 8.427 85 2HD PRO 14 1HD PRO 14 10.821 -6.940 7.331 86 H ALA 15 H ALA 15 7.158 -6.788 8.930 87 HA ALA 15 HA ALA 15 5.125 -7.571 10.692 88 1HB ALA 15 1HB ALA 15 7.576 -6.535 12.068 89 2HB ALA 15 2HB ALA 15 6.456 -7.800 12.577 90 3HB ALA 15 3HB ALA 15 5.995 -6.104 12.720 91 H CYS 16 H CYS 16 3.543 -6.106 10.331 92 HA CYS 16 HA CYS 16 4.253 -3.457 9.234 93 1HB CYS 16 2HB CYS 16 1.625 -4.923 9.606 94 2HB CYS 16 1HB CYS 16 1.719 -3.268 9.009 95 H THR 17 H THR 17 2.125 -1.917 10.185 96 HA THR 17 HA THR 17 2.380 -1.982 13.150 97 HB THR 17 HB THR 17 2.539 0.652 12.843 98 HG1 THR 17 1HG THR 17 2.753 1.075 10.802 99 1HG2 THR 17 1HG2 THR 17 5.194 -0.035 12.410 100 2HG2 THR 17 2HG2 THR 17 4.496 -1.507 13.088 101 3HG2 THR 17 3HG2 THR 17 4.386 0.013 13.976 102 H MET 18 H MET 18 0.768 -0.311 14.109 103 HA MET 18 HA MET 18 -1.811 -0.727 12.751 104 1HB MET 18 2HB MET 18 -1.136 0.598 15.398 105 2HB MET 18 1HB MET 18 -2.769 0.280 14.812 106 1HG MET 18 2HG MET 18 -2.379 -2.108 14.823 107 2HG MET 18 1HG MET 18 -0.672 -1.873 15.199 108 1HE MET 18 1HE MET 18 -3.765 -3.014 16.446 109 2HE MET 18 2HE MET 18 -4.351 -1.353 16.412 110 3HE MET 18 3HE MET 18 -4.184 -2.191 17.954 111 H GLU 19 H GLU 19 0.442 1.307 11.960 112 HA GLU 19 HA GLU 19 -0.456 3.950 12.299 113 1HB GLU 19 2HB GLU 19 1.685 3.358 11.212 114 2HB GLU 19 1HB GLU 19 0.801 2.722 9.824 115 1HG GLU 19 2HG GLU 19 0.090 4.841 9.136 116 2HG GLU 19 1HG GLU 19 0.310 5.543 10.739 117 H TYR 20 H TYR 20 -1.710 5.322 10.784 118 HA TYR 20 HA TYR 20 -3.804 3.721 9.373 119 1HB TYR 20 2HB TYR 20 -4.273 5.368 11.458 120 2HB TYR 20 1HB TYR 20 -4.403 6.524 10.132 121 HD1 TYR 20 1HD TYR 20 -5.630 3.206 11.319 122 HD2 TYR 20 2HD TYR 20 -6.318 6.568 8.737 123 HE1 TYR 20 1HE TYR 20 -7.875 2.315 10.759 124 HE2 TYR 20 2HE TYR 20 -8.565 5.678 8.178 125 HH TYR 20 HH TYR 20 -9.534 2.940 8.302 126 H ARG 21 H ARG 21 -3.511 3.837 7.254 127 HA ARG 21 HA ARG 21 -3.192 6.457 5.953 128 1HB ARG 21 2HB ARG 21 -1.111 4.277 5.862 129 2HB ARG 21 1HB ARG 21 -1.301 5.400 4.515 130 1HG ARG 21 2HG ARG 21 -1.234 7.223 6.429 131 2HG ARG 21 1HG ARG 21 -0.409 5.946 7.325 132 1HD ARG 21 2HD ARG 21 1.475 6.125 6.074 133 2HD ARG 21 1HD ARG 21 0.566 6.272 4.569 134 HE ARG 21 HE ARG 21 0.473 8.659 4.902 135 1HH1 ARG 21 1HH1 ARG 21 0.282 8.530 7.940 136 2HH1 ARG 21 2HH1 ARG 21 1.806 9.216 8.402 137 1HH2 ARG 21 1HH2 ARG 21 3.222 8.858 5.257 138 2HH2 ARG 21 2HH2 ARG 21 3.468 9.402 6.883 139 HA PRO 22 HA PRO 22 -5.997 3.730 3.679 140 1HB PRO 22 2HB PRO 22 -7.541 5.799 2.728 141 2HB PRO 22 1HB PRO 22 -7.772 5.050 4.318 142 1HG PRO 22 2HG PRO 22 -6.550 7.690 3.645 143 2HG PRO 22 1HG PRO 22 -7.387 7.183 5.123 144 1HD PRO 22 2HD PRO 22 -4.591 7.396 4.816 145 2HD PRO 22 1HD PRO 22 -5.428 6.535 6.127 146 H LEU 23 H LEU 23 -4.901 3.019 1.884 147 HA LEU 23 HA LEU 23 -4.151 5.047 -0.180 148 1HB LEU 23 2HB LEU 23 -2.892 2.497 0.754 149 2HB LEU 23 1HB LEU 23 -2.691 2.952 -0.936 150 HG LEU 23 HG LEU 23 -2.241 5.077 1.104 151 1HD1 LEU 23 1HD1 LEU 23 0.130 4.264 1.375 152 2HD1 LEU 23 2HD1 LEU 23 -0.362 2.747 0.623 153 3HD1 LEU 23 3HD1 LEU 23 -1.071 3.240 2.160 154 1HD2 LEU 23 1HD2 LEU 23 -1.986 5.602 -1.254 155 2HD2 LEU 23 2HD2 LEU 23 -0.915 4.221 -1.487 156 3HD2 LEU 23 3HD2 LEU 23 -0.385 5.594 -0.517 157 H CYS 24 H CYS 24 -5.289 4.941 -2.072 158 HA CYS 24 HA CYS 24 -7.147 2.677 -2.457 159 1HB CYS 24 2HB CYS 24 -7.926 5.008 -2.828 160 2HB CYS 24 1HB CYS 24 -6.749 5.175 -4.131 161 H GLY 25 H GLY 25 -5.487 1.062 -2.928 162 1HA GLY 25 2HA GLY 25 -3.447 1.125 -4.787 163 2HA GLY 25 1HA GLY 25 -4.449 -0.306 -4.542 164 H SER 26 H SER 26 -3.306 0.644 -7.062 165 HA SER 26 HA SER 26 -5.030 2.024 -8.769 166 1HB SER 26 2HB SER 26 -2.730 0.524 -9.080 167 2HB SER 26 1HB SER 26 -3.916 -0.385 -10.013 168 HG SER 26 HG SER 26 -2.705 1.929 -10.608 169 H ASP 27 H ASP 27 -5.603 -1.018 -7.245 170 HA ASP 27 HA ASP 27 -7.598 -1.892 -9.214 171 1HB ASP 27 2HB ASP 27 -7.898 -3.803 -7.800 172 2HB ASP 27 1HB ASP 27 -6.167 -3.459 -7.804 173 H ASN 28 H ASN 28 -7.842 0.712 -7.596 174 HA ASN 28 HA ASN 28 -9.572 1.920 -6.576 175 1HB ASN 28 2HB ASN 28 -10.718 0.311 -8.547 176 2HB ASN 28 1HB ASN 28 -11.709 0.008 -7.118 177 1HD2 ASN 28 1HD2 ASN 28 -11.269 2.164 -9.704 178 2HD2 ASN 28 2HD2 ASN 28 -12.145 3.478 -9.081 179 H LYS 29 H LYS 29 -8.114 0.080 -4.930 180 HA LYS 29 HA LYS 29 -10.276 -0.697 -3.019 181 1HB LYS 29 2HB LYS 29 -8.747 -2.517 -4.267 182 2HB LYS 29 1HB LYS 29 -7.670 -2.130 -2.923 183 1HG LYS 29 2HG LYS 29 -10.306 -2.371 -1.868 184 2HG LYS 29 1HG LYS 29 -10.013 -3.774 -2.896 185 1HD LYS 29 2HD LYS 29 -8.068 -4.398 -1.671 186 2HD LYS 29 1HD LYS 29 -7.997 -2.839 -0.850 187 1HE LYS 29 2HE LYS 29 -10.056 -3.335 0.363 188 2HE LYS 29 1HE LYS 29 -10.241 -4.850 -0.520 189 1HZ LYS 29 1HZ LYS 29 -8.698 -4.320 1.787 190 2HZ LYS 29 2HZ LYS 29 -7.686 -4.866 0.537 191 3HZ LYS 29 3HZ LYS 29 -9.011 -5.808 1.032 192 H THR 30 H THR 30 -9.936 -0.122 -0.866 193 HA THR 30 HA THR 30 -7.846 1.890 -0.419 194 HB THR 30 HB THR 30 -9.938 0.757 1.465 195 HG1 THR 30 1HG THR 30 -9.887 2.785 -0.435 196 1HG2 THR 30 1HG2 THR 30 -7.813 2.846 1.723 197 2HG2 THR 30 2HG2 THR 30 -8.420 1.707 2.926 198 3HG2 THR 30 3HG2 THR 30 -9.365 3.135 2.510 199 H TYR 31 H TYR 31 -6.201 1.696 1.211 200 HA TYR 31 HA TYR 31 -5.605 -1.129 1.984 201 1HB TYR 31 2HB TYR 31 -3.929 1.019 0.806 202 2HB TYR 31 1HB TYR 31 -3.170 -0.010 2.016 203 HD1 TYR 31 1HD TYR 31 -3.407 0.326 -1.353 204 HD2 TYR 31 2HD TYR 31 -4.203 -2.628 1.664 205 HE1 TYR 31 1HE TYR 31 -3.189 -1.468 -3.053 206 HE2 TYR 31 2HE TYR 31 -3.983 -4.421 -0.036 207 HH TYR 31 HH TYR 31 -3.763 -4.875 -2.207 208 H GLY 32 H GLY 32 -4.507 -1.395 4.019 209 1HA GLY 32 2HA GLY 32 -5.543 0.346 6.084 210 2HA GLY 32 1HA GLY 32 -4.444 -1.011 6.340 211 H ASN 33 H ASN 33 -2.487 0.093 4.372 212 HA ASN 33 HA ASN 33 -1.647 2.700 5.035 213 1HB ASN 33 2HB ASN 33 0.130 2.261 6.708 214 2HB ASN 33 1HB ASN 33 -1.468 1.899 7.354 215 1HD2 ASN 33 1HD2 ASN 33 0.445 0.603 8.719 216 2HD2 ASN 33 2HD2 ASN 33 0.584 -1.023 8.256 217 H LYS 34 H LYS 34 1.024 2.629 4.977 218 HA LYS 34 HA LYS 34 1.629 1.777 2.306 219 1HB LYS 34 2HB LYS 34 3.888 2.565 2.771 220 2HB LYS 34 1HB LYS 34 2.722 3.703 3.452 221 1HG LYS 34 2HG LYS 34 3.312 3.226 5.601 222 2HG LYS 34 1HG LYS 34 3.525 1.506 5.262 223 1HD LYS 34 2HD LYS 34 5.745 1.931 5.408 224 2HD LYS 34 1HD LYS 34 5.570 2.655 3.809 225 1HE LYS 34 2HE LYS 34 4.793 4.448 6.005 226 2HE LYS 34 1HE LYS 34 6.493 3.980 6.041 227 1HZ LYS 34 1HZ LYS 34 5.063 5.614 4.128 228 2HZ LYS 34 2HZ LYS 34 6.136 4.487 3.443 229 3HZ LYS 34 3HZ LYS 34 6.702 5.633 4.563 230 H CYS 35 H CYS 35 1.839 0.114 5.369 231 HA CYS 35 HA CYS 35 3.879 -1.769 4.460 232 1HB CYS 35 2HB CYS 35 3.365 -1.169 6.885 233 2HB CYS 35 1HB CYS 35 1.910 -2.148 6.716 234 H ASN 36 H ASN 36 0.395 -1.516 4.432 235 HA ASN 36 HA ASN 36 0.011 -4.282 3.522 236 1HB ASN 36 2HB ASN 36 -1.584 -2.319 4.753 237 2HB ASN 36 1HB ASN 36 -2.239 -2.490 3.129 238 1HD2 ASN 36 1HD2 ASN 36 -1.970 -4.001 6.232 239 2HD2 ASN 36 2HD2 ASN 36 -2.783 -5.438 5.841 240 H PHE 37 H PHE 37 0.732 -1.208 2.232 241 HA PHE 37 HA PHE 37 -0.427 -1.678 -0.417 242 1HB PHE 37 2HB PHE 37 -0.231 0.613 0.515 243 2HB PHE 37 1HB PHE 37 1.523 0.433 0.555 244 HD1 PHE 37 1HD PHE 37 2.767 1.175 -1.266 245 HD2 PHE 37 2HD PHE 37 -1.344 0.065 -1.843 246 HE1 PHE 37 1HE PHE 37 2.910 1.880 -3.638 247 HE2 PHE 37 2HE PHE 37 -1.202 0.771 -4.217 248 HZ PHE 37 HZ PHE 37 0.927 1.675 -5.115 249 H CYS 38 H CYS 38 2.870 -1.475 0.958 250 HA CYS 38 HA CYS 38 4.142 -2.269 -1.508 251 1HB CYS 38 2HB CYS 38 5.015 -1.938 1.336 252 2HB CYS 38 1HB CYS 38 6.040 -2.874 0.248 253 H ASN 39 H ASN 39 2.938 -3.984 1.324 254 HA ASN 39 HA ASN 39 4.067 -6.536 0.476 255 1HB ASN 39 2HB ASN 39 2.078 -5.686 2.578 256 2HB ASN 39 1HB ASN 39 2.299 -7.394 2.197 257 1HD2 ASN 39 1HD2 ASN 39 4.467 -8.331 2.581 258 2HD2 ASN 39 2HD2 ASN 39 5.541 -7.579 3.659 259 H ALA 40 H ALA 40 0.881 -4.975 0.309 260 HA ALA 40 HA ALA 40 -0.493 -7.135 -0.941 261 1HB ALA 40 1HB ALA 40 -1.928 -5.285 -1.940 262 2HB ALA 40 2HB ALA 40 -0.843 -4.132 -1.164 263 3HB ALA 40 3HB ALA 40 -1.789 -5.252 -0.182 264 H VAL 41 H VAL 41 1.930 -4.926 -2.010 265 HA VAL 41 HA VAL 41 1.489 -5.247 -4.862 266 HB VAL 41 HB VAL 41 3.701 -4.137 -3.145 267 1HG1 VAL 41 1HG1 VAL 41 4.807 -3.551 -5.411 268 2HG1 VAL 41 2HG1 VAL 41 3.852 -4.881 -6.067 269 3HG1 VAL 41 3HG1 VAL 41 5.032 -5.187 -4.793 270 1HG2 VAL 41 1HG2 VAL 41 3.082 -2.353 -5.153 271 2HG2 VAL 41 2HG2 VAL 41 2.354 -2.352 -3.547 272 3HG2 VAL 41 3HG2 VAL 41 1.536 -3.161 -4.884 273 H VAL 42 H VAL 42 3.485 -6.837 -2.394 274 HA VAL 42 HA VAL 42 4.691 -8.611 -4.419 275 HB VAL 42 HB VAL 42 4.856 -8.707 -1.389 276 1HG1 VAL 42 1HG1 VAL 42 5.381 -10.854 -2.507 277 2HG1 VAL 42 2HG1 VAL 42 6.827 -10.129 -1.805 278 3HG1 VAL 42 3HG1 VAL 42 6.542 -10.024 -3.542 279 1HG2 VAL 42 1HG2 VAL 42 5.740 -6.610 -2.487 280 2HG2 VAL 42 2HG2 VAL 42 6.855 -7.629 -3.397 281 3HG2 VAL 42 3HG2 VAL 42 6.969 -7.549 -1.639 282 H GLU 43 H GLU 43 1.795 -8.480 -2.700 283 HA GLU 43 HA GLU 43 1.459 -11.434 -2.664 284 1HB GLU 43 2HB GLU 43 -0.460 -9.278 -1.723 285 2HB GLU 43 1HB GLU 43 -0.574 -11.007 -1.397 286 1HG GLU 43 2HG GLU 43 2.012 -10.249 -0.569 287 2HG GLU 43 1HG GLU 43 0.933 -8.988 0.027 288 H SER 44 H SER 44 0.939 -8.792 -4.698 289 HA SER 44 HA SER 44 -1.313 -10.179 -6.083 290 1HB SER 44 2HB SER 44 -0.918 -7.448 -5.400 291 2HB SER 44 1HB SER 44 -0.788 -7.564 -7.153 292 HG SER 44 HG SER 44 -2.774 -8.905 -6.943 293 H ASN 45 H ASN 45 1.706 -10.632 -6.230 294 HA ASN 45 HA ASN 45 3.104 -11.408 -7.933 295 1HB ASN 45 2HB ASN 45 1.088 -10.370 -9.899 296 2HB ASN 45 1HB ASN 45 2.222 -11.701 -10.104 297 1HD2 ASN 45 1HD2 ASN 45 1.744 -13.733 -8.913 298 2HD2 ASN 45 2HD2 ASN 45 0.169 -14.053 -8.365 299 H GLY 46 H GLY 46 2.505 -8.370 -7.103 300 1HA GLY 46 2HA GLY 46 3.889 -6.467 -7.414 301 2HA GLY 46 1HA GLY 46 4.731 -7.332 -8.701 302 H THR 47 H THR 47 1.463 -7.631 -9.261 303 HA THR 47 HA THR 47 1.595 -5.587 -11.391 304 HB THR 47 HB THR 47 -0.925 -6.815 -11.450 305 HG1 THR 47 1HG THR 47 -0.546 -8.925 -11.061 306 1HG2 THR 47 1HG2 THR 47 0.036 -6.581 -13.519 307 2HG2 THR 47 2HG2 THR 47 0.479 -8.264 -13.231 308 3HG2 THR 47 3HG2 THR 47 1.650 -6.979 -12.929 309 H LEU 48 H LEU 48 0.561 -5.758 -8.193 310 HA LEU 48 HA LEU 48 -1.722 -3.910 -8.552 311 1HB LEU 48 2HB LEU 48 -1.806 -5.744 -6.853 312 2HB LEU 48 1HB LEU 48 -0.472 -4.969 -5.998 313 HG LEU 48 HG LEU 48 -2.610 -3.082 -6.610 314 1HD1 LEU 48 1HD1 LEU 48 -3.237 -5.598 -5.054 315 2HD1 LEU 48 2HD1 LEU 48 -4.159 -4.878 -6.374 316 3HD1 LEU 48 3HD1 LEU 48 -4.120 -4.094 -4.795 317 1HD2 LEU 48 1HD2 LEU 48 -0.607 -3.067 -4.908 318 2HD2 LEU 48 2HD2 LEU 48 -1.720 -3.960 -3.872 319 3HD2 LEU 48 3HD2 LEU 48 -2.145 -2.343 -4.436 320 H THR 49 H THR 49 -1.500 -1.744 -8.409 321 HA THR 49 HA THR 49 0.983 -0.650 -7.144 322 HB THR 49 HB THR 49 1.080 1.056 -8.850 323 HG1 THR 49 1HG THR 49 -0.512 0.828 -10.607 324 1HG2 THR 49 1HG2 THR 49 0.609 -1.012 -10.800 325 2HG2 THR 49 2HG2 THR 49 1.379 -1.704 -9.373 326 3HG2 THR 49 3HG2 THR 49 2.145 -0.364 -10.227 327 H LEU 50 H LEU 50 -0.074 2.056 -7.762 328 HA LEU 50 HA LEU 50 -2.141 2.167 -5.613 329 1HB LEU 50 2HB LEU 50 0.055 3.304 -5.130 330 2HB LEU 50 1HB LEU 50 -0.268 4.383 -6.487 331 HG LEU 50 HG LEU 50 -2.305 5.184 -5.422 332 1HD1 LEU 50 1HD1 LEU 50 -1.894 2.782 -3.804 333 2HD1 LEU 50 2HD1 LEU 50 -3.366 3.721 -4.058 334 3HD1 LEU 50 3HD1 LEU 50 -2.214 4.207 -2.815 335 1HD2 LEU 50 1HD2 LEU 50 -0.814 5.523 -3.017 336 2HD2 LEU 50 2HD2 LEU 50 -0.979 6.657 -4.357 337 3HD2 LEU 50 3HD2 LEU 50 0.337 5.483 -4.351 338 H SER 51 H SER 51 -3.686 4.034 -5.869 339 HA SER 51 HA SER 51 -4.173 4.697 -8.739 340 1HB SER 51 2HB SER 51 -6.199 3.700 -8.718 341 2HB SER 51 1HB SER 51 -5.737 2.965 -7.189 342 HG SER 51 HG SER 51 -7.346 5.182 -7.719 343 H HIS 52 H HIS 52 -4.482 5.590 -5.342 344 HA HIS 52 HA HIS 52 -4.131 8.343 -5.804 345 1HB HIS 52 2HB HIS 52 -6.145 9.062 -6.523 346 2HB HIS 52 1HB HIS 52 -6.783 7.426 -6.434 347 HD1 HIS 52 1HD HIS 52 -8.177 6.790 -4.362 348 HD2 HIS 52 2HD HIS 52 -6.729 10.698 -4.238 349 HE1 HIS 52 1HE HIS 52 -9.383 7.942 -2.454 350 H PHE 53 H PHE 53 -3.024 8.538 -3.924 351 HA PHE 53 HA PHE 53 -3.231 7.158 -1.556 352 1HB PHE 53 2HB PHE 53 -2.625 10.080 -2.039 353 2HB PHE 53 1HB PHE 53 -2.493 9.344 -0.446 354 HD1 PHE 53 1HD PHE 53 -1.156 9.357 -3.886 355 HD2 PHE 53 2HD PHE 53 -0.744 7.748 0.075 356 HE1 PHE 53 1HE PHE 53 1.081 8.466 -4.481 357 HE2 PHE 53 2HE PHE 53 1.494 6.858 -0.519 358 HZ PHE 53 HZ PHE 53 2.406 7.218 -2.798 359 H GLY 54 H GLY 54 -5.058 6.709 -0.427 360 1HA GLY 54 2HA GLY 54 -6.570 7.980 1.252 361 2HA GLY 54 1HA GLY 54 -7.132 8.844 -0.182 362 H LYS 55 H LYS 55 -8.952 7.403 1.349 363 HA LYS 55 HA LYS 55 -9.320 4.729 0.244 364 1HB LYS 55 2HB LYS 55 -10.143 5.278 2.499 365 2HB LYS 55 1HB LYS 55 -11.212 6.508 1.821 366 1HG LYS 55 2HG LYS 55 -11.923 4.351 0.319 367 2HG LYS 55 1HG LYS 55 -11.498 3.560 1.837 368 1HD LYS 55 2HD LYS 55 -13.571 4.124 2.543 369 2HD LYS 55 1HD LYS 55 -12.956 5.772 2.665 370 1HE LYS 55 2HE LYS 55 -14.654 6.240 1.215 371 2HE LYS 55 1HE LYS 55 -13.515 5.651 0.003 372 1HZ LYS 55 1HZ LYS 55 -15.130 3.654 1.383 373 2HZ LYS 55 2HZ LYS 55 -14.622 3.713 -0.238 374 3HZ LYS 55 3HZ LYS 55 -15.939 4.656 0.277 375 H CYS 56 H CYS 56 -10.657 4.148 -1.466 376 HA CYS 56 HA CYS 56 -11.587 6.365 -3.185 377 1HB CYS 56 2HB CYS 56 -11.087 3.437 -3.541 378 2HB CYS 56 1HB CYS 56 -12.245 4.219 -4.620 Start of MODEL 15 1 1H ALA 3 1HT ALA 3 9.096 10.093 -11.549 2 2H ALA 3 2HT ALA 3 10.226 9.800 -10.315 3 3H ALA 3 3HT ALA 3 8.802 10.665 -9.979 4 HA ALA 3 HA ALA 3 7.877 8.327 -11.023 5 1HB ALA 3 1HB ALA 3 9.053 6.566 -9.837 6 2HB ALA 3 2HB ALA 3 10.121 7.741 -9.068 7 3HB ALA 3 3HB ALA 3 10.226 7.459 -10.806 8 H VAL 4 H VAL 4 6.176 7.739 -9.690 9 HA VAL 4 HA VAL 4 6.108 9.050 -7.005 10 HB VAL 4 HB VAL 4 4.482 9.887 -8.754 11 1HG1 VAL 4 1HG1 VAL 4 4.060 7.116 -9.114 12 2HG1 VAL 4 2HG1 VAL 4 3.238 8.444 -9.931 13 3HG1 VAL 4 3HG1 VAL 4 2.564 7.768 -8.447 14 1HG2 VAL 4 1HG2 VAL 4 3.328 10.514 -6.932 15 2HG2 VAL 4 2HG2 VAL 4 4.034 9.182 -6.017 16 3HG2 VAL 4 3HG2 VAL 4 2.531 8.941 -6.906 17 H SER 5 H SER 5 3.459 7.222 -6.844 18 HA SER 5 HA SER 5 2.967 5.050 -6.105 19 1HB SER 5 2HB SER 5 4.141 3.468 -7.191 20 2HB SER 5 1HB SER 5 5.288 4.699 -7.704 21 HG SER 5 HG SER 5 6.379 4.356 -5.701 22 H VAL 6 H VAL 6 3.506 3.688 -4.159 23 HA VAL 6 HA VAL 6 4.558 5.417 -2.027 24 HB VAL 6 HB VAL 6 3.718 2.556 -1.627 25 1HG1 VAL 6 1HG1 VAL 6 2.707 3.670 0.437 26 2HG1 VAL 6 2HG1 VAL 6 3.558 5.136 -0.051 27 3HG1 VAL 6 3HG1 VAL 6 4.469 3.680 0.352 28 1HG2 VAL 6 1HG2 VAL 6 1.373 3.808 -1.295 29 2HG2 VAL 6 2HG2 VAL 6 1.848 3.138 -2.853 30 3HG2 VAL 6 3HG2 VAL 6 2.049 4.859 -2.539 31 H ASP 7 H ASP 7 6.196 4.564 -0.483 32 HA ASP 7 HA ASP 7 8.460 3.422 -1.925 33 1HB ASP 7 2HB ASP 7 9.004 5.075 -0.292 34 2HB ASP 7 1HB ASP 7 8.023 4.286 0.943 35 H CYS 8 H CYS 8 9.042 1.293 -1.952 36 HA CYS 8 HA CYS 8 7.640 -0.540 -0.043 37 1HB CYS 8 2HB CYS 8 8.392 -1.016 -2.943 38 2HB CYS 8 1HB CYS 8 7.787 -2.264 -1.854 39 H SER 9 H SER 9 9.838 0.290 1.025 40 HA SER 9 HA SER 9 12.384 -0.507 0.321 41 1HB SER 9 2HB SER 9 11.591 0.641 2.477 42 2HB SER 9 1HB SER 9 11.324 -0.981 3.108 43 HG SER 9 HG SER 9 13.565 0.331 3.088 44 H GLU 10 H GLU 10 12.161 -2.445 -0.927 45 HA GLU 10 HA GLU 10 12.023 -4.770 -1.305 46 1HB GLU 10 2HB GLU 10 13.388 -5.927 0.707 47 2HB GLU 10 1HB GLU 10 14.180 -5.018 -0.578 48 1HG GLU 10 2HG GLU 10 13.984 -2.959 0.874 49 2HG GLU 10 1HG GLU 10 13.430 -4.012 2.179 50 H TYR 11 H TYR 11 9.735 -5.009 -0.957 51 HA TYR 11 HA TYR 11 8.874 -5.854 1.748 52 1HB TYR 11 2HB TYR 11 7.530 -4.983 -0.774 53 2HB TYR 11 1HB TYR 11 6.606 -5.966 0.360 54 HD1 TYR 11 1HD TYR 11 5.571 -4.894 2.199 55 HD2 TYR 11 2HD TYR 11 8.930 -3.061 0.265 56 HE1 TYR 11 1HE TYR 11 5.326 -2.902 3.664 57 HE2 TYR 11 2HE TYR 11 8.698 -1.085 1.715 58 HH TYR 11 HH TYR 11 7.735 -0.384 3.739 59 HA PRO 12 HA PRO 12 6.506 -6.770 1.806 60 1HB PRO 12 2HB PRO 12 5.680 -8.880 3.339 61 2HB PRO 12 1HB PRO 12 5.061 -8.550 1.712 62 1HG PRO 12 2HG PRO 12 6.950 -10.672 2.604 63 2HG PRO 12 1HG PRO 12 5.870 -10.648 1.202 64 1HD PRO 12 2HD PRO 12 8.668 -10.166 1.172 65 2HD PRO 12 1HD PRO 12 7.535 -9.883 -0.166 66 H LYS 13 H LYS 13 6.280 -6.277 4.118 67 HA LYS 13 HA LYS 13 8.551 -7.147 5.827 68 1HB LYS 13 2HB LYS 13 7.667 -4.270 5.826 69 2HB LYS 13 1HB LYS 13 9.176 -4.952 6.424 70 1HG LYS 13 2HG LYS 13 8.412 -5.003 3.498 71 2HG LYS 13 1HG LYS 13 9.299 -3.665 4.213 72 1HD LYS 13 2HD LYS 13 10.226 -6.370 3.492 73 2HD LYS 13 1HD LYS 13 11.131 -4.867 3.614 74 1HE LYS 13 2HE LYS 13 10.231 -6.449 6.036 75 2HE LYS 13 1HE LYS 13 11.808 -6.649 5.277 76 1HZ LYS 13 1HZ LYS 13 12.507 -4.925 6.443 77 2HZ LYS 13 2HZ LYS 13 10.953 -4.651 7.071 78 3HZ LYS 13 3HZ LYS 13 11.419 -3.928 5.608 79 HA PRO 14 HA PRO 14 4.931 -7.455 8.442 80 1HB PRO 14 2HB PRO 14 6.196 -8.876 10.424 81 2HB PRO 14 1HB PRO 14 5.591 -9.609 8.928 82 1HG PRO 14 2HG PRO 14 8.401 -9.018 9.723 83 2HG PRO 14 1HG PRO 14 7.788 -10.228 8.585 84 1HD PRO 14 2HD PRO 14 8.960 -7.731 7.907 85 2HD PRO 14 1HD PRO 14 8.100 -8.825 6.803 86 H ALA 15 H ALA 15 7.447 -5.416 8.684 87 HA ALA 15 HA ALA 15 6.987 -4.703 11.539 88 1HB ALA 15 1HB ALA 15 9.281 -4.676 11.290 89 2HB ALA 15 2HB ALA 15 8.930 -3.011 10.825 90 3HB ALA 15 3HB ALA 15 9.197 -4.236 9.584 91 H CYS 16 H CYS 16 4.899 -3.734 11.176 92 HA CYS 16 HA CYS 16 5.105 -0.957 10.175 93 1HB CYS 16 2HB CYS 16 2.611 -2.263 9.304 94 2HB CYS 16 1HB CYS 16 3.638 -1.122 8.445 95 H THR 17 H THR 17 3.111 0.297 10.822 96 HA THR 17 HA THR 17 2.126 -0.735 13.433 97 HB THR 17 HB THR 17 1.283 1.946 12.997 98 HG1 THR 17 1HG THR 17 4.064 1.769 12.703 99 1HG2 THR 17 1HG2 THR 17 3.227 0.494 14.755 100 2HG2 THR 17 2HG2 THR 17 1.745 1.342 15.195 101 3HG2 THR 17 3HG2 THR 17 3.198 2.256 14.784 102 H MET 18 H MET 18 -0.233 0.324 13.843 103 HA MET 18 HA MET 18 -1.906 -0.847 11.718 104 1HB MET 18 2HB MET 18 -2.306 -0.001 14.553 105 2HB MET 18 1HB MET 18 -3.714 0.028 13.491 106 1HG MET 18 2HG MET 18 -3.021 -2.349 12.789 107 2HG MET 18 1HG MET 18 -1.958 -2.325 14.196 108 1HE MET 18 1HE MET 18 -4.401 -1.419 17.052 109 2HE MET 18 2HE MET 18 -3.084 -0.692 16.136 110 3HE MET 18 3HE MET 18 -2.894 -2.312 16.802 111 H GLU 19 H GLU 19 -0.390 1.802 11.501 112 HA GLU 19 HA GLU 19 -1.923 4.082 11.584 113 1HB GLU 19 2HB GLU 19 0.258 4.295 10.686 114 2HB GLU 19 1HB GLU 19 -0.044 3.085 9.440 115 1HG GLU 19 2HG GLU 19 -0.926 4.618 8.035 116 2HG GLU 19 1HG GLU 19 -1.935 5.309 9.306 117 H TYR 20 H TYR 20 -3.817 4.745 10.705 118 HA TYR 20 HA TYR 20 -5.233 2.891 8.896 119 1HB TYR 20 2HB TYR 20 -6.193 4.141 10.981 120 2HB TYR 20 1HB TYR 20 -6.332 5.496 9.862 121 HD1 TYR 20 1HD TYR 20 -8.513 5.723 9.071 122 HD2 TYR 20 2HD TYR 20 -6.853 1.790 9.546 123 HE1 TYR 20 1HE TYR 20 -10.583 4.738 8.124 124 HE2 TYR 20 2HE TYR 20 -8.923 0.803 8.600 125 HH TYR 20 HH TYR 20 -11.788 2.541 8.232 126 H ARG 21 H ARG 21 -3.072 4.139 7.644 127 HA ARG 21 HA ARG 21 -4.021 6.484 6.181 128 1HB ARG 21 2HB ARG 21 -1.545 5.767 6.709 129 2HB ARG 21 1HB ARG 21 -1.719 4.792 5.252 130 1HG ARG 21 2HG ARG 21 -1.681 6.608 3.889 131 2HG ARG 21 1HG ARG 21 -2.713 7.547 4.969 132 1HD ARG 21 2HD ARG 21 0.116 6.960 5.783 133 2HD ARG 21 1HD ARG 21 -0.203 8.255 4.628 134 HE ARG 21 HE ARG 21 -1.968 8.817 6.655 135 1HH1 ARG 21 1HH2 ARG 21 1.406 8.700 6.138 136 2HH1 ARG 21 2HH2 ARG 21 1.816 9.371 7.683 137 1HH2 ARG 21 1HH1 ARG 21 -1.458 9.426 8.822 138 2HH2 ARG 21 2HH1 ARG 21 0.193 9.782 9.201 139 HA PRO 22 HA PRO 22 -6.255 3.710 3.465 140 1HB PRO 22 2HB PRO 22 -7.661 5.709 2.204 141 2HB PRO 22 1HB PRO 22 -8.109 5.032 3.779 142 1HG PRO 22 2HG PRO 22 -6.847 7.662 3.160 143 2HG PRO 22 1HG PRO 22 -7.853 7.195 4.542 144 1HD PRO 22 2HD PRO 22 -5.032 7.443 4.548 145 2HD PRO 22 1HD PRO 22 -6.019 6.679 5.812 146 H LEU 23 H LEU 23 -5.198 2.908 1.715 147 HA LEU 23 HA LEU 23 -4.096 4.847 -0.275 148 1HB LEU 23 2HB LEU 23 -2.946 2.316 0.865 149 2HB LEU 23 1HB LEU 23 -2.513 2.806 -0.776 150 HG LEU 23 HG LEU 23 -2.424 5.025 1.124 151 1HD1 LEU 23 1HD1 LEU 23 -1.045 4.222 2.725 152 2HD1 LEU 23 2HD1 LEU 23 -0.066 3.344 1.549 153 3HD1 LEU 23 3HD1 LEU 23 -1.540 2.617 2.188 154 1HD2 LEU 23 1HD2 LEU 23 -0.066 5.102 0.068 155 2HD2 LEU 23 2HD2 LEU 23 -1.441 5.317 -1.015 156 3HD2 LEU 23 3HD2 LEU 23 -0.614 3.760 -0.937 157 H CYS 24 H CYS 24 -5.304 4.730 -2.096 158 HA CYS 24 HA CYS 24 -6.832 2.271 -2.658 159 1HB CYS 24 2HB CYS 24 -7.799 4.606 -2.936 160 2HB CYS 24 1HB CYS 24 -6.708 4.818 -4.303 161 H GLY 25 H GLY 25 -5.071 0.860 -3.186 162 1HA GLY 25 2HA GLY 25 -2.942 1.346 -4.944 163 2HA GLY 25 1HA GLY 25 -3.690 -0.238 -4.736 164 H SER 26 H SER 26 -2.672 0.929 -7.236 165 HA SER 26 HA SER 26 -4.699 1.979 -8.901 166 1HB SER 26 2HB SER 26 -3.382 0.906 -10.775 167 2HB SER 26 1HB SER 26 -2.426 1.907 -9.684 168 HG SER 26 HG SER 26 -2.311 -0.775 -10.170 169 H ASP 27 H ASP 27 -4.522 -1.127 -7.463 170 HA ASP 27 HA ASP 27 -6.140 -2.463 -9.517 171 1HB ASP 27 2HB ASP 27 -5.995 -4.401 -8.130 172 2HB ASP 27 1HB ASP 27 -4.423 -3.616 -8.012 173 H ASN 28 H ASN 28 -7.050 -0.018 -7.819 174 HA ASN 28 HA ASN 28 -9.082 0.720 -6.924 175 1HB ASN 28 2HB ASN 28 -9.807 -0.765 -8.998 176 2HB ASN 28 1HB ASN 28 -10.390 -1.855 -7.739 177 1HD2 ASN 28 1HD2 ASN 28 -12.574 -1.178 -8.782 178 2HD2 ASN 28 2HD2 ASN 28 -13.316 0.221 -8.172 179 H LYS 29 H LYS 29 -7.287 -0.605 -5.181 180 HA LYS 29 HA LYS 29 -9.233 -1.994 -3.377 181 1HB LYS 29 2HB LYS 29 -7.625 -3.614 -4.269 182 2HB LYS 29 1HB LYS 29 -6.285 -2.599 -3.732 183 1HG LYS 29 2HG LYS 29 -6.467 -3.292 -1.582 184 2HG LYS 29 1HG LYS 29 -8.229 -3.201 -1.611 185 1HD LYS 29 2HD LYS 29 -8.354 -5.339 -2.793 186 2HD LYS 29 1HD LYS 29 -6.593 -5.423 -2.868 187 1HE LYS 29 2HE LYS 29 -6.409 -5.643 -0.490 188 2HE LYS 29 1HE LYS 29 -8.108 -5.229 -0.254 189 1HZ LYS 29 1HZ LYS 29 -7.353 -7.558 -1.892 190 2HZ LYS 29 2HZ LYS 29 -8.807 -7.256 -1.065 191 3HZ LYS 29 3HZ LYS 29 -7.407 -7.686 -0.201 192 H THR 30 H THR 30 -9.007 -1.570 -1.132 193 HA THR 30 HA THR 30 -7.596 0.982 -0.543 194 HB THR 30 HB THR 30 -9.539 -0.532 1.223 195 HG1 THR 30 1HG THR 30 -10.696 -0.017 -0.551 196 1HG2 THR 30 1HG2 THR 30 -8.712 1.032 2.654 197 2HG2 THR 30 2HG2 THR 30 -9.786 2.123 1.779 198 3HG2 THR 30 3HG2 THR 30 -8.079 2.034 1.349 199 H TYR 31 H TYR 31 -6.044 1.105 1.137 200 HA TYR 31 HA TYR 31 -5.207 -1.499 2.317 201 1HB TYR 31 2HB TYR 31 -3.618 0.593 0.864 202 2HB TYR 31 1HB TYR 31 -2.848 -0.465 2.043 203 HD1 TYR 31 1HD TYR 31 -3.251 -0.132 -1.307 204 HD2 TYR 31 2HD TYR 31 -3.999 -3.036 1.764 205 HE1 TYR 31 1HE TYR 31 -3.204 -1.937 -3.004 206 HE2 TYR 31 2HE TYR 31 -3.953 -4.843 0.068 207 HH TYR 31 HH TYR 31 -4.209 -4.304 -3.191 208 H GLY 32 H GLY 32 -4.201 -1.340 4.384 209 1HA GLY 32 2HA GLY 32 -5.256 0.714 6.085 210 2HA GLY 32 1HA GLY 32 -4.031 -0.468 6.557 211 H ASN 33 H ASN 33 -2.194 0.352 4.379 212 HA ASN 33 HA ASN 33 -1.612 3.115 4.473 213 1HB ASN 33 2HB ASN 33 0.369 2.997 6.085 214 2HB ASN 33 1HB ASN 33 -1.235 2.989 6.815 215 1HD2 ASN 33 1HD2 ASN 33 -0.982 1.645 8.627 216 2HD2 ASN 33 2HD2 ASN 33 -0.353 0.070 8.568 217 H LYS 34 H LYS 34 1.090 3.220 4.408 218 HA LYS 34 HA LYS 34 1.724 2.183 1.842 219 1HB LYS 34 2HB LYS 34 2.926 4.087 2.365 220 2HB LYS 34 1HB LYS 34 3.219 3.579 4.025 221 1HG LYS 34 2HG LYS 34 4.449 1.967 1.823 222 2HG LYS 34 1HG LYS 34 5.164 3.531 2.211 223 1HD LYS 34 2HD LYS 34 4.511 1.866 4.562 224 2HD LYS 34 1HD LYS 34 5.769 1.204 3.519 225 1HE LYS 34 2HE LYS 34 5.821 4.090 4.395 226 2HE LYS 34 1HE LYS 34 6.519 2.814 5.392 227 1HZ LYS 34 1HZ LYS 34 7.718 4.088 3.273 228 2HZ LYS 34 2HZ LYS 34 7.316 2.549 2.680 229 3HZ LYS 34 3HZ LYS 34 8.278 2.701 4.071 230 H CYS 35 H CYS 35 2.453 0.861 5.092 231 HA CYS 35 HA CYS 35 4.316 -1.085 4.020 232 1HB CYS 35 2HB CYS 35 4.199 -0.225 6.427 233 2HB CYS 35 1HB CYS 35 2.824 -1.305 6.631 234 H ASN 36 H ASN 36 0.867 -1.059 4.767 235 HA ASN 36 HA ASN 36 0.537 -3.900 4.179 236 1HB ASN 36 2HB ASN 36 -0.969 -1.939 5.486 237 2HB ASN 36 1HB ASN 36 -1.872 -2.264 4.011 238 1HD2 ASN 36 1HD2 ASN 36 -0.457 -3.871 6.879 239 2HD2 ASN 36 2HD2 ASN 36 -1.470 -5.231 6.816 240 H PHE 37 H PHE 37 0.879 -1.035 2.392 241 HA PHE 37 HA PHE 37 -0.743 -1.827 0.096 242 1HB PHE 37 2HB PHE 37 -0.476 0.527 0.434 243 2HB PHE 37 1HB PHE 37 1.268 0.369 0.629 244 HD1 PHE 37 1HD PHE 37 2.607 0.936 -1.176 245 HD2 PHE 37 2HD PHE 37 -1.367 -0.508 -1.900 246 HE1 PHE 37 1HE PHE 37 2.940 1.248 -3.612 247 HE2 PHE 37 2HE PHE 37 -1.041 -0.197 -4.332 248 HZ PHE 37 HZ PHE 37 1.113 0.682 -5.193 249 H CYS 38 H CYS 38 2.755 -1.530 0.773 250 HA CYS 38 HA CYS 38 3.558 -2.701 -1.729 251 1HB CYS 38 2HB CYS 38 5.027 -2.473 0.913 252 2HB CYS 38 1HB CYS 38 5.777 -2.957 -0.608 253 H ASN 39 H ASN 39 2.467 -4.005 1.298 254 HA ASN 39 HA ASN 39 3.567 -6.667 0.876 255 1HB ASN 39 2HB ASN 39 1.650 -5.407 2.793 256 2HB ASN 39 1HB ASN 39 1.565 -7.157 2.586 257 1HD2 ASN 39 1HD2 ASN 39 3.149 -8.409 3.623 258 2HD2 ASN 39 2HD2 ASN 39 4.505 -7.767 4.416 259 H ALA 40 H ALA 40 0.381 -5.166 0.434 260 HA ALA 40 HA ALA 40 -0.883 -7.502 -0.652 261 1HB ALA 40 1HB ALA 40 -2.661 -6.107 -1.113 262 2HB ALA 40 2HB ALA 40 -1.625 -4.835 -1.763 263 3HB ALA 40 3HB ALA 40 -1.794 -5.031 -0.018 264 H VAL 41 H VAL 41 1.305 -5.097 -1.871 265 HA VAL 41 HA VAL 41 0.999 -5.733 -4.678 266 HB VAL 41 HB VAL 41 3.334 -4.484 -3.193 267 1HG1 VAL 41 1HG1 VAL 41 3.213 -5.477 -5.798 268 2HG1 VAL 41 2HG1 VAL 41 4.391 -4.319 -5.181 269 3HG1 VAL 41 3HG1 VAL 41 2.929 -3.746 -5.984 270 1HG2 VAL 41 1HG2 VAL 41 2.053 -2.634 -3.061 271 2HG2 VAL 41 2HG2 VAL 41 0.708 -3.514 -3.787 272 3HG2 VAL 41 3HG2 VAL 41 1.853 -2.650 -4.813 273 H VAL 42 H VAL 42 2.939 -6.972 -1.998 274 HA VAL 42 HA VAL 42 4.745 -8.552 -3.578 275 HB VAL 42 HB VAL 42 3.689 -8.896 -0.756 276 1HG1 VAL 42 1HG1 VAL 42 4.302 -11.090 -1.278 277 2HG1 VAL 42 2HG1 VAL 42 5.825 -10.434 -0.680 278 3HG1 VAL 42 3HG1 VAL 42 5.548 -10.575 -2.415 279 1HG2 VAL 42 1HG2 VAL 42 6.521 -8.443 -1.019 280 2HG2 VAL 42 2HG2 VAL 42 5.316 -7.424 -0.232 281 3HG2 VAL 42 3HG2 VAL 42 5.657 -7.221 -1.950 282 H GLU 43 H GLU 43 1.420 -8.918 -2.616 283 HA GLU 43 HA GLU 43 1.217 -11.757 -3.164 284 1HB GLU 43 2HB GLU 43 -0.987 -9.672 -3.271 285 2HB GLU 43 1HB GLU 43 -1.183 -11.409 -3.046 286 1HG GLU 43 2HG GLU 43 0.505 -9.822 -1.127 287 2HG GLU 43 1HG GLU 43 -1.250 -9.861 -0.945 288 H SER 44 H SER 44 0.709 -8.788 -5.022 289 HA SER 44 HA SER 44 -0.147 -10.245 -7.412 290 1HB SER 44 2HB SER 44 -0.467 -8.145 -8.379 291 2HB SER 44 1HB SER 44 -0.688 -7.773 -6.672 292 HG SER 44 HG SER 44 1.006 -6.665 -8.280 293 H ASN 45 H ASN 45 2.737 -10.169 -5.933 294 HA ASN 45 HA ASN 45 4.833 -10.899 -6.739 295 1HB ASN 45 2HB ASN 45 3.183 -11.396 -8.917 296 2HB ASN 45 1HB ASN 45 4.409 -10.312 -9.575 297 1HD2 ASN 45 1HD2 ASN 45 4.348 -13.122 -7.292 298 2HD2 ASN 45 2HD2 ASN 45 5.711 -13.878 -7.966 299 H GLY 46 H GLY 46 3.367 -7.927 -7.086 300 1HA GLY 46 2HA GLY 46 4.804 -5.955 -6.627 301 2HA GLY 46 1HA GLY 46 5.995 -6.652 -7.725 302 H THR 47 H THR 47 2.886 -7.183 -8.906 303 HA THR 47 HA THR 47 3.278 -5.057 -10.934 304 HB THR 47 HB THR 47 1.366 -6.249 -12.086 305 HG1 THR 47 1HG THR 47 1.056 -8.420 -11.152 306 1HG2 THR 47 1HG2 THR 47 3.615 -6.793 -12.746 307 2HG2 THR 47 2HG2 THR 47 2.745 -8.317 -12.567 308 3HG2 THR 47 3HG2 THR 47 3.856 -7.784 -11.306 309 H LEU 48 H LEU 48 2.367 -4.471 -8.159 310 HA LEU 48 HA LEU 48 -0.344 -3.348 -8.777 311 1HB LEU 48 2HB LEU 48 0.129 -5.019 -6.765 312 2HB LEU 48 1HB LEU 48 0.707 -3.550 -5.980 313 HG LEU 48 HG LEU 48 -1.518 -2.489 -6.769 314 1HD1 LEU 48 1HD1 LEU 48 -3.292 -4.447 -6.781 315 2HD1 LEU 48 2HD1 LEU 48 -1.922 -5.408 -7.339 316 3HD1 LEU 48 3HD1 LEU 48 -2.453 -4.007 -8.269 317 1HD2 LEU 48 1HD2 LEU 48 -1.015 -4.423 -4.560 318 2HD2 LEU 48 2HD2 LEU 48 -2.698 -3.978 -4.843 319 3HD2 LEU 48 3HD2 LEU 48 -1.503 -2.729 -4.483 320 H THR 49 H THR 49 -0.690 -1.144 -8.278 321 HA THR 49 HA THR 49 1.721 0.393 -7.432 322 HB THR 49 HB THR 49 1.462 1.970 -9.202 323 HG1 THR 49 1HG THR 49 -0.313 2.068 -10.443 324 1HG2 THR 49 1HG2 THR 49 2.595 -0.095 -9.875 325 2HG2 THR 49 2HG2 THR 49 1.655 0.544 -11.224 326 3HG2 THR 49 3HG2 THR 49 1.046 -0.827 -10.295 327 H LEU 50 H LEU 50 0.310 2.881 -7.945 328 HA LEU 50 HA LEU 50 -1.708 2.752 -5.747 329 1HB LEU 50 2HB LEU 50 0.078 3.939 -4.801 330 2HB LEU 50 1HB LEU 50 0.521 4.693 -6.328 331 HG LEU 50 HG LEU 50 -1.812 5.877 -6.127 332 1HD1 LEU 50 1HD1 LEU 50 -2.684 6.116 -3.924 333 2HD1 LEU 50 2HD1 LEU 50 -1.260 5.367 -3.200 334 3HD1 LEU 50 3HD1 LEU 50 -2.402 4.386 -4.123 335 1HD2 LEU 50 1HD2 LEU 50 0.402 6.982 -5.979 336 2HD2 LEU 50 2HD2 LEU 50 0.478 6.575 -4.265 337 3HD2 LEU 50 3HD2 LEU 50 -0.754 7.691 -4.852 338 H SER 51 H SER 51 -3.466 4.259 -5.952 339 HA SER 51 HA SER 51 -3.899 5.254 -8.737 340 1HB SER 51 2HB SER 51 -5.865 4.136 -8.815 341 2HB SER 51 1HB SER 51 -5.399 3.330 -7.323 342 HG SER 51 HG SER 51 -6.770 5.810 -7.563 343 H HIS 52 H HIS 52 -4.350 5.755 -5.279 344 HA HIS 52 HA HIS 52 -3.990 8.540 -5.396 345 1HB HIS 52 2HB HIS 52 -6.094 9.520 -5.483 346 2HB HIS 52 1HB HIS 52 -6.326 8.175 -6.590 347 HD1 HIS 52 1HD HIS 52 -7.512 5.994 -5.516 348 HD2 HIS 52 2HD HIS 52 -7.780 9.496 -3.273 349 HE1 HIS 52 1HE HIS 52 -9.356 5.622 -3.820 350 H PHE 53 H PHE 53 -3.007 8.573 -3.452 351 HA PHE 53 HA PHE 53 -3.273 6.911 -1.279 352 1HB PHE 53 2HB PHE 53 -2.802 9.903 -1.297 353 2HB PHE 53 1HB PHE 53 -2.588 8.890 0.124 354 HD1 PHE 53 1HD PHE 53 -1.331 9.643 -3.264 355 HD2 PHE 53 2HD PHE 53 -0.745 7.325 0.305 356 HE1 PHE 53 1HE PHE 53 0.937 9.013 -4.044 357 HE2 PHE 53 2HE PHE 53 1.522 6.696 -0.477 358 HZ PHE 53 HZ PHE 53 2.362 7.540 -2.651 359 H GLY 54 H GLY 54 -5.396 6.245 -0.858 360 1HA GLY 54 2HA GLY 54 -6.929 7.486 1.075 361 2HA GLY 54 1HA GLY 54 -7.553 8.151 -0.436 362 H LYS 55 H LYS 55 -9.370 6.714 0.907 363 HA LYS 55 HA LYS 55 -9.247 3.877 0.196 364 1HB LYS 55 2HB LYS 55 -11.531 3.790 1.140 365 2HB LYS 55 1HB LYS 55 -10.425 4.616 2.239 366 1HG LYS 55 2HG LYS 55 -11.234 6.780 1.543 367 2HG LYS 55 1HG LYS 55 -12.183 6.063 0.241 368 1HD LYS 55 2HD LYS 55 -13.904 5.628 1.630 369 2HD LYS 55 1HD LYS 55 -12.836 4.847 2.796 370 1HE LYS 55 2HE LYS 55 -12.798 6.674 4.120 371 2HE LYS 55 1HE LYS 55 -12.461 7.740 2.755 372 1HZ LYS 55 1HZ LYS 55 -14.812 7.577 4.130 373 2HZ LYS 55 2HZ LYS 55 -15.127 6.718 2.699 374 3HZ LYS 55 3HZ LYS 55 -14.586 8.326 2.627 375 H CYS 56 H CYS 56 -10.713 2.850 -1.308 376 HA CYS 56 HA CYS 56 -11.299 4.575 -3.634 377 1HB CYS 56 2HB CYS 56 -11.828 1.617 -3.545 378 2HB CYS 56 1HB CYS 56 -11.334 2.615 -4.913
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