NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6398 | 1iy6 | 5470 | 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 7.959 7.437 -6.715 2 2H ALA 3 2HT ALA 3 7.944 8.368 -8.136 3 3H ALA 3 3HT ALA 3 9.089 8.683 -6.921 4 HA ALA 3 HA ALA 3 10.291 7.525 -8.526 5 1HB ALA 3 1HB ALA 3 9.391 5.242 -6.788 6 2HB ALA 3 2HB ALA 3 10.245 6.608 -6.069 7 3HB ALA 3 3HB ALA 3 11.019 5.648 -7.331 8 H VAL 4 H VAL 4 7.107 6.071 -7.972 9 HA VAL 4 HA VAL 4 7.117 5.166 -10.794 10 HB VAL 4 HB VAL 4 6.456 3.333 -8.469 11 1HG1 VAL 4 1HG1 VAL 4 5.022 2.938 -10.415 12 2HG1 VAL 4 2HG1 VAL 4 6.199 1.633 -10.267 13 3HG1 VAL 4 3HG1 VAL 4 6.436 2.899 -11.471 14 1HG2 VAL 4 1HG2 VAL 4 8.776 3.259 -8.524 15 2HG2 VAL 4 2HG2 VAL 4 8.850 3.691 -10.233 16 3HG2 VAL 4 3HG2 VAL 4 8.406 2.052 -9.756 17 H SER 5 H SER 5 4.981 4.964 -11.653 18 HA SER 5 HA SER 5 2.913 6.294 -9.966 19 1HB SER 5 2HB SER 5 3.680 7.126 -12.343 20 2HB SER 5 1HB SER 5 2.621 5.844 -12.923 21 HG SER 5 HG SER 5 1.081 7.225 -12.578 22 H VAL 6 H VAL 6 1.048 5.201 -9.441 23 HA VAL 6 HA VAL 6 0.704 2.478 -10.637 24 HB VAL 6 HB VAL 6 1.320 2.342 -8.265 25 1HG1 VAL 6 1HG1 VAL 6 -0.956 3.395 -6.969 26 2HG1 VAL 6 2HG1 VAL 6 -0.437 4.636 -8.111 27 3HG1 VAL 6 3HG1 VAL 6 0.690 4.022 -6.901 28 1HG2 VAL 6 1HG2 VAL 6 -1.550 1.737 -8.994 29 2HG2 VAL 6 2HG2 VAL 6 -0.881 1.285 -7.426 30 3HG2 VAL 6 3HG2 VAL 6 -0.187 0.622 -8.904 31 H ASP 7 H ASP 7 -1.362 1.948 -11.359 32 HA ASP 7 HA ASP 7 -3.354 4.174 -11.272 33 1HB ASP 7 2HB ASP 7 -3.038 1.905 -13.259 34 2HB ASP 7 1HB ASP 7 -4.316 3.120 -13.311 35 H CYS 8 H CYS 8 -4.774 3.755 -9.641 36 HA CYS 8 HA CYS 8 -6.025 1.046 -9.585 37 1HB CYS 8 2HB CYS 8 -4.700 2.541 -7.362 38 2HB CYS 8 1HB CYS 8 -6.175 1.652 -6.980 39 H SER 9 H SER 9 -7.071 3.267 -10.908 40 HA SER 9 HA SER 9 -8.735 5.049 -9.599 41 1HB SER 9 2HB SER 9 -10.318 4.654 -11.612 42 2HB SER 9 1HB SER 9 -8.683 5.215 -11.948 43 HG SER 9 HG SER 9 -9.762 3.156 -12.987 44 H GLU 10 H GLU 10 -9.493 4.051 -7.669 45 HA GLU 10 HA GLU 10 -11.247 3.117 -6.408 46 1HB GLU 10 2HB GLU 10 -12.466 3.753 -8.765 47 2HB GLU 10 1HB GLU 10 -12.698 2.006 -8.729 48 1HG GLU 10 2HG GLU 10 -13.193 3.060 -6.105 49 2HG GLU 10 1HG GLU 10 -14.144 3.972 -7.276 50 H TYR 11 H TYR 11 -9.207 1.603 -6.205 51 HA TYR 11 HA TYR 11 -10.115 -1.149 -6.956 52 1HB TYR 11 2HB TYR 11 -8.035 -0.162 -8.198 53 2HB TYR 11 1HB TYR 11 -7.200 -0.457 -6.673 54 HD1 TYR 11 1HD TYR 11 -9.244 -2.091 -9.325 55 HD2 TYR 11 2HD TYR 11 -6.529 -2.649 -6.045 56 HE1 TYR 11 1HE TYR 11 -9.032 -4.491 -9.911 57 HE2 TYR 11 2HE TYR 11 -6.317 -5.050 -6.630 58 HH TYR 11 HH TYR 11 -8.423 -6.643 -8.638 59 HA PRO 12 HA PRO 12 -9.299 -0.677 -2.375 60 1HB PRO 12 2HB PRO 12 -11.891 -1.102 -1.557 61 2HB PRO 12 1HB PRO 12 -11.218 0.504 -1.884 62 1HG PRO 12 2HG PRO 12 -13.104 -1.115 -3.536 63 2HG PRO 12 1HG PRO 12 -12.913 0.644 -3.450 64 1HD PRO 12 2HD PRO 12 -11.912 -1.013 -5.504 65 2HD PRO 12 1HD PRO 12 -11.428 0.667 -5.190 66 H LYS 13 H LYS 13 -8.301 -2.663 -2.056 67 HA LYS 13 HA LYS 13 -10.072 -5.035 -1.846 68 1HB LYS 13 2HB LYS 13 -7.405 -5.243 -3.246 69 2HB LYS 13 1HB LYS 13 -8.731 -6.407 -3.236 70 1HG LYS 13 2HG LYS 13 -9.035 -3.641 -4.416 71 2HG LYS 13 1HG LYS 13 -8.459 -5.008 -5.369 72 1HD LYS 13 2HD LYS 13 -10.494 -6.194 -5.104 73 2HD LYS 13 1HD LYS 13 -11.020 -5.156 -3.779 74 1HE LYS 13 2HE LYS 13 -12.165 -3.980 -5.336 75 2HE LYS 13 1HE LYS 13 -10.597 -3.373 -5.870 76 1HZ LYS 13 1HZ LYS 13 -10.902 -5.898 -6.971 77 2HZ LYS 13 2HZ LYS 13 -10.929 -4.405 -7.781 78 3HZ LYS 13 3HZ LYS 13 -12.375 -5.096 -7.217 79 H CYS 14 H CYS 14 -9.700 -4.681 0.463 80 HA CYS 14 HA CYS 14 -6.905 -5.044 1.390 81 1HB CYS 14 2HB CYS 14 -9.420 -4.008 2.580 82 2HB CYS 14 1HB CYS 14 -8.350 -4.883 3.677 83 H ALA 15 H ALA 15 -8.198 -7.261 0.083 84 HA ALA 15 HA ALA 15 -8.340 -9.154 2.396 85 1HB ALA 15 1HB ALA 15 -10.253 -10.108 1.613 86 2HB ALA 15 2HB ALA 15 -9.749 -9.962 -0.069 87 3HB ALA 15 3HB ALA 15 -10.462 -8.579 0.759 88 H CYS 16 H CYS 16 -6.242 -8.232 0.256 89 HA CYS 16 HA CYS 16 -5.724 -10.708 -1.215 90 1HB CYS 16 2HB CYS 16 -4.011 -8.237 -0.812 91 2HB CYS 16 1HB CYS 16 -3.636 -9.566 -1.910 92 H THR 17 H THR 17 -4.039 -12.180 -0.779 93 HA THR 17 HA THR 17 -2.284 -11.811 1.528 94 HB THR 17 HB THR 17 -4.572 -13.795 1.634 95 HG1 THR 17 1HG THR 17 -5.067 -12.678 3.485 96 1HG2 THR 17 1HG2 THR 17 -1.873 -13.919 2.755 97 2HG2 THR 17 2HG2 THR 17 -3.106 -15.176 2.657 98 3HG2 THR 17 3HG2 THR 17 -3.128 -14.020 3.989 99 H MET 18 H MET 18 -0.997 -12.166 -0.576 100 HA MET 18 HA MET 18 -0.132 -14.957 -0.631 101 1HB MET 18 2HB MET 18 -2.066 -14.979 -2.188 102 2HB MET 18 1HB MET 18 -1.288 -13.714 -3.140 103 1HG MET 18 2HG MET 18 0.093 -15.190 -4.149 104 2HG MET 18 1HG MET 18 0.507 -15.958 -2.617 105 1HE MET 18 1HE MET 18 -3.285 -15.571 -3.754 106 2HE MET 18 2HE MET 18 -3.289 -16.740 -5.072 107 3HE MET 18 3HE MET 18 -2.221 -15.343 -5.147 108 H GLU 19 H GLU 19 0.023 -12.264 -2.957 109 HA GLU 19 HA GLU 19 2.832 -12.592 -3.423 110 1HB GLU 19 2HB GLU 19 1.216 -11.425 -4.966 111 2HB GLU 19 1HB GLU 19 1.200 -10.072 -3.835 112 1HG GLU 19 2HG GLU 19 2.996 -9.284 -4.964 113 2HG GLU 19 1HG GLU 19 3.911 -10.580 -4.194 114 H TYR 20 H TYR 20 4.266 -12.350 -1.760 115 HA TYR 20 HA TYR 20 3.802 -10.265 0.281 116 1HB TYR 20 2HB TYR 20 4.766 -12.723 0.611 117 2HB TYR 20 1HB TYR 20 6.290 -11.925 0.217 118 HD1 TYR 20 1HD TYR 20 3.744 -12.434 2.739 119 HD2 TYR 20 2HD TYR 20 7.001 -9.892 1.561 120 HE1 TYR 20 1HE TYR 20 3.863 -11.520 5.043 121 HE2 TYR 20 2HE TYR 20 7.121 -8.977 3.863 122 HH TYR 20 HH TYR 20 4.705 -9.327 6.111 123 H ARG 21 H ARG 21 4.620 -8.276 0.007 124 HA ARG 21 HA ARG 21 7.269 -7.916 -1.231 125 1HB ARG 21 2HB ARG 21 4.979 -7.628 -2.803 126 2HB ARG 21 1HB ARG 21 5.398 -5.977 -2.340 127 1HG ARG 21 2HG ARG 21 7.113 -5.978 -3.793 128 2HG ARG 21 1HG ARG 21 7.809 -7.388 -2.993 129 1HD ARG 21 2HD ARG 21 5.688 -7.434 -5.160 130 2HD ARG 21 1HD ARG 21 7.378 -7.901 -5.348 131 HE ARG 21 HE ARG 21 5.492 -9.372 -3.548 132 1HH1 ARG 21 1HH2 ARG 21 5.871 -10.395 -6.349 133 2HH1 ARG 21 2HH2 ARG 21 7.131 -11.563 -6.136 134 1HH2 ARG 21 1HH1 ARG 21 8.083 -10.366 -3.028 135 2HH2 ARG 21 2HH1 ARG 21 8.381 -11.546 -4.259 136 HA PRO 22 HA PRO 22 6.728 -5.065 2.224 137 1HB PRO 22 2HB PRO 22 9.414 -4.920 2.786 138 2HB PRO 22 1HB PRO 22 8.359 -6.221 3.369 139 1HG PRO 22 2HG PRO 22 10.402 -6.296 1.196 140 2HG PRO 22 1HG PRO 22 9.804 -7.613 2.219 141 1HD PRO 22 2HD PRO 22 9.034 -7.105 -0.457 142 2HD PRO 22 1HD PRO 22 8.216 -8.203 0.676 143 H LEU 23 H LEU 23 6.120 -3.265 0.901 144 HA LEU 23 HA LEU 23 8.271 -1.806 -0.545 145 1HB LEU 23 2HB LEU 23 5.420 -0.885 -0.415 146 2HB LEU 23 1HB LEU 23 6.572 -0.735 -1.741 147 HG LEU 23 HG LEU 23 5.433 -3.387 -0.809 148 1HD1 LEU 23 1HD1 LEU 23 3.729 -3.218 -2.381 149 2HD1 LEU 23 2HD1 LEU 23 4.593 -2.015 -3.339 150 3HD1 LEU 23 3HD1 LEU 23 3.827 -1.549 -1.820 151 1HD2 LEU 23 1HD2 LEU 23 7.309 -3.940 -2.040 152 2HD2 LEU 23 2HD2 LEU 23 7.262 -2.444 -2.969 153 3HD2 LEU 23 3HD2 LEU 23 6.153 -3.758 -3.360 154 H CYS 24 H CYS 24 8.853 0.333 0.043 155 HA CYS 24 HA CYS 24 8.111 1.101 2.805 156 1HB CYS 24 2HB CYS 24 10.481 1.309 2.045 157 2HB CYS 24 1HB CYS 24 9.962 2.465 0.817 158 H GLY 25 H GLY 25 5.963 1.792 2.630 159 1HA GLY 25 2HA GLY 25 5.136 3.539 0.446 160 2HA GLY 25 1HA GLY 25 4.130 3.005 1.786 161 H SER 26 H SER 26 4.551 5.701 0.579 162 HA SER 26 HA SER 26 6.059 7.407 2.266 163 1HB SER 26 2HB SER 26 3.943 7.698 0.290 164 2HB SER 26 1HB SER 26 3.771 8.865 1.597 165 HG SER 26 HG SER 26 5.517 8.857 -0.418 166 H ASP 27 H ASP 27 3.462 5.446 3.167 167 HA ASP 27 HA ASP 27 2.265 7.238 5.107 168 1HB ASP 27 2HB ASP 27 0.954 5.351 5.758 169 2HB ASP 27 1HB ASP 27 1.170 5.196 4.015 170 H ASN 28 H ASN 28 5.300 6.111 5.018 171 HA ASN 28 HA ASN 28 6.930 6.150 6.717 172 1HB ASN 28 2HB ASN 28 4.863 7.420 7.938 173 2HB ASN 28 1HB ASN 28 4.989 5.979 8.948 174 1HD2 ASN 28 1HD2 ASN 28 7.988 5.815 8.302 175 2HD2 ASN 28 2HD2 ASN 28 8.689 7.007 9.288 176 H LYS 29 H LYS 29 5.324 3.665 5.697 177 HA LYS 29 HA LYS 29 6.657 1.860 7.617 178 1HB LYS 29 2HB LYS 29 3.715 2.206 7.537 179 2HB LYS 29 1HB LYS 29 4.295 0.539 7.540 180 1HG LYS 29 2HG LYS 29 5.702 2.299 9.439 181 2HG LYS 29 1HG LYS 29 3.989 2.073 9.800 182 1HD LYS 29 2HD LYS 29 4.239 -0.160 10.251 183 2HD LYS 29 1HD LYS 29 5.510 -0.368 9.046 184 1HE LYS 29 2HE LYS 29 6.458 1.401 11.107 185 2HE LYS 29 1HE LYS 29 5.818 -0.061 11.856 186 1HZ LYS 29 1HZ LYS 29 7.226 -1.401 10.488 187 2HZ LYS 29 2HZ LYS 29 8.192 -0.214 11.228 188 3HZ LYS 29 3HZ LYS 29 7.745 -0.055 9.596 189 H THR 30 H THR 30 6.203 -0.518 6.867 190 HA THR 30 HA THR 30 6.691 -0.486 3.969 191 HB THR 30 HB THR 30 6.800 -2.806 5.914 192 HG1 THR 30 1HG THR 30 8.331 -0.813 5.908 193 1HG2 THR 30 1HG2 THR 30 8.373 -3.571 3.921 194 2HG2 THR 30 2HG2 THR 30 7.362 -2.464 2.992 195 3HG2 THR 30 3HG2 THR 30 6.631 -3.830 3.836 196 H TYR 31 H TYR 31 5.529 -2.162 2.600 197 HA TYR 31 HA TYR 31 2.689 -2.407 3.500 198 1HB TYR 31 2HB TYR 31 3.957 -1.616 0.919 199 2HB TYR 31 1HB TYR 31 2.476 -2.568 0.830 200 HD1 TYR 31 1HD TYR 31 3.628 0.685 0.794 201 HD2 TYR 31 2HD TYR 31 0.691 -1.741 2.789 202 HE1 TYR 31 1HE TYR 31 2.301 2.714 1.312 203 HE2 TYR 31 2HE TYR 31 -0.633 0.291 3.305 204 HH TYR 31 HH TYR 31 0.500 3.525 2.311 205 H GLY 32 H GLY 32 1.562 -4.349 2.776 206 1HA GLY 32 2HA GLY 32 3.337 -6.690 2.728 207 2HA GLY 32 1HA GLY 32 1.575 -6.728 2.814 208 H ASN 33 H ASN 33 1.673 -4.717 0.437 209 HA ASN 33 HA ASN 33 2.851 -5.852 -1.829 210 1HB ASN 33 2HB ASN 33 0.787 -7.085 -2.759 211 2HB ASN 33 1HB ASN 33 1.746 -7.928 -1.542 212 1HD2 ASN 33 1HD2 ASN 33 0.520 -8.808 0.122 213 2HD2 ASN 33 2HD2 ASN 33 -0.995 -8.234 0.627 214 H LYS 34 H LYS 34 1.674 -5.166 -3.886 215 HA LYS 34 HA LYS 34 0.894 -2.436 -3.706 216 1HB LYS 34 2HB LYS 34 0.290 -2.641 -6.074 217 2HB LYS 34 1HB LYS 34 1.806 -3.485 -5.768 218 1HG LYS 34 2HG LYS 34 0.787 -5.213 -6.846 219 2HG LYS 34 1HG LYS 34 0.002 -5.478 -5.288 220 1HD LYS 34 2HD LYS 34 -1.941 -5.242 -6.431 221 2HD LYS 34 1HD LYS 34 -1.576 -3.517 -6.409 222 1HE LYS 34 2HE LYS 34 -0.084 -4.259 -8.535 223 2HE LYS 34 1HE LYS 34 -1.362 -5.470 -8.639 224 1HZ LYS 34 1HZ LYS 34 -1.492 -2.597 -9.025 225 2HZ LYS 34 2HZ LYS 34 -2.791 -3.280 -8.170 226 3HZ LYS 34 3HZ LYS 34 -2.416 -3.831 -9.732 227 H CYS 35 H CYS 35 -0.901 -5.340 -3.236 228 HA CYS 35 HA CYS 35 -3.508 -4.240 -3.887 229 1HB CYS 35 2HB CYS 35 -3.088 -6.680 -3.805 230 2HB CYS 35 1HB CYS 35 -2.764 -6.561 -2.076 231 H ASN 36 H ASN 36 -1.445 -4.352 -1.050 232 HA ASN 36 HA ASN 36 -3.486 -3.212 0.717 233 1HB ASN 36 2HB ASN 36 -1.081 -4.623 1.067 234 2HB ASN 36 1HB ASN 36 -0.739 -2.996 1.643 235 1HD2 ASN 36 1HD2 ASN 36 -3.689 -5.072 1.797 236 2HD2 ASN 36 2HD2 ASN 36 -3.890 -4.915 3.475 237 H PHE 37 H PHE 37 -1.108 -2.146 -1.516 238 HA PHE 37 HA PHE 37 -0.695 0.492 -0.361 239 1HB PHE 37 2HB PHE 37 0.978 -0.624 -1.831 240 2HB PHE 37 1HB PHE 37 -0.160 -0.523 -3.175 241 HD1 PHE 37 1HD PHE 37 -1.034 1.826 -3.828 242 HD2 PHE 37 2HD PHE 37 2.403 1.176 -1.331 243 HE1 PHE 37 1HE PHE 37 -0.249 4.128 -4.309 244 HE2 PHE 37 2HE PHE 37 3.186 3.479 -1.814 245 HZ PHE 37 HZ PHE 37 1.861 4.953 -3.303 246 H CYS 38 H CYS 38 -2.691 -0.872 -2.967 247 HA CYS 38 HA CYS 38 -3.860 1.720 -3.623 248 1HB CYS 38 2HB CYS 38 -4.505 -1.128 -4.417 249 2HB CYS 38 1HB CYS 38 -5.488 0.239 -4.940 250 H CYS 39 H CYS 39 -4.421 -0.766 -1.298 251 HA CYS 39 HA CYS 39 -7.239 -0.073 -0.873 252 1HB CYS 39 2HB CYS 39 -6.205 -2.364 -0.421 253 2HB CYS 39 1HB CYS 39 -5.454 -1.636 1.000 254 H ALA 40 H ALA 40 -4.154 0.483 0.802 255 HA ALA 40 HA ALA 40 -5.284 2.008 2.960 256 1HB ALA 40 1HB ALA 40 -3.057 1.177 3.259 257 2HB ALA 40 2HB ALA 40 -2.902 2.929 3.133 258 3HB ALA 40 3HB ALA 40 -2.509 1.908 1.750 259 H VAL 41 H VAL 41 -4.397 2.731 -0.333 260 HA VAL 41 HA VAL 41 -4.400 5.617 -0.039 261 HB VAL 41 HB VAL 41 -4.614 3.745 -2.405 262 1HG1 VAL 41 1HG1 VAL 41 -5.916 5.662 -3.054 263 2HG1 VAL 41 2HG1 VAL 41 -4.323 5.862 -3.785 264 3HG1 VAL 41 3HG1 VAL 41 -4.751 6.772 -2.336 265 1HG2 VAL 41 1HG2 VAL 41 -2.369 4.076 -2.607 266 2HG2 VAL 41 2HG2 VAL 41 -2.465 4.571 -0.917 267 3HG2 VAL 41 3HG2 VAL 41 -2.489 5.786 -2.195 268 H VAL 42 H VAL 42 -6.821 3.161 -0.757 269 HA VAL 42 HA VAL 42 -8.903 4.971 -1.571 270 HB VAL 42 HB VAL 42 -8.809 2.131 -0.588 271 1HG1 VAL 42 1HG1 VAL 42 -11.223 3.920 -0.714 272 2HG1 VAL 42 2HG1 VAL 42 -10.816 2.684 0.476 273 3HG1 VAL 42 3HG1 VAL 42 -11.379 2.213 -1.128 274 1HG2 VAL 42 1HG2 VAL 42 -8.747 3.428 -3.076 275 2HG2 VAL 42 2HG2 VAL 42 -10.365 2.737 -2.963 276 3HG2 VAL 42 3HG2 VAL 42 -8.950 1.699 -2.795 277 H GLU 43 H GLU 43 -7.676 3.956 1.560 278 HA GLU 43 HA GLU 43 -9.947 5.320 2.915 279 1HB GLU 43 2HB GLU 43 -9.202 4.267 4.937 280 2HB GLU 43 1HB GLU 43 -9.126 3.036 3.677 281 1HG GLU 43 2HG GLU 43 -6.931 2.761 4.069 282 2HG GLU 43 1HG GLU 43 -6.646 4.456 3.672 283 H SER 44 H SER 44 -6.819 5.979 1.811 284 HA SER 44 HA SER 44 -6.229 7.951 3.936 285 1HB SER 44 2HB SER 44 -4.734 6.742 1.663 286 2HB SER 44 1HB SER 44 -4.285 8.381 2.128 287 HG SER 44 HG SER 44 -4.099 5.978 3.545 288 H ASN 45 H ASN 45 -7.977 7.834 1.055 289 HA ASN 45 HA ASN 45 -9.109 9.574 -0.064 290 1HB ASN 45 2HB ASN 45 -8.781 10.698 2.309 291 2HB ASN 45 1HB ASN 45 -7.567 11.651 1.454 292 1HD2 ASN 45 1HD2 ASN 45 -9.244 11.323 -1.116 293 2HD2 ASN 45 2HD2 ASN 45 -10.492 12.459 -0.935 294 H GLY 46 H GLY 46 -6.381 8.473 -0.705 295 1HA GLY 46 2HA GLY 46 -4.947 8.815 -2.554 296 2HA GLY 46 1HA GLY 46 -5.783 10.338 -2.869 297 H THR 47 H THR 47 -4.718 9.925 0.366 298 HA THR 47 HA THR 47 -2.556 11.910 -0.143 299 HB THR 47 HB THR 47 -2.774 12.540 2.176 300 HG1 THR 47 1HG THR 47 -3.071 10.607 3.175 301 1HG2 THR 47 1HG2 THR 47 -5.037 12.461 0.367 302 2HG2 THR 47 2HG2 THR 47 -4.539 13.744 1.468 303 3HG2 THR 47 3HG2 THR 47 -5.578 12.440 2.045 304 H LEU 48 H LEU 48 -2.565 8.811 -0.322 305 HA LEU 48 HA LEU 48 -0.146 8.435 1.391 306 1HB LEU 48 2HB LEU 48 -2.385 7.087 1.870 307 2HB LEU 48 1HB LEU 48 -1.819 6.103 0.520 308 HG LEU 48 HG LEU 48 0.265 5.631 1.649 309 1HD1 LEU 48 1HD1 LEU 48 -0.045 6.669 4.237 310 2HD1 LEU 48 2HD1 LEU 48 -0.472 8.001 3.164 311 3HD1 LEU 48 3HD1 LEU 48 1.102 7.219 3.015 312 1HD2 LEU 48 1HD2 LEU 48 -1.617 4.215 2.299 313 2HD2 LEU 48 2HD2 LEU 48 -2.107 5.386 3.523 314 3HD2 LEU 48 3HD2 LEU 48 -0.591 4.504 3.705 315 H THR 49 H THR 49 1.577 7.191 0.391 316 HA THR 49 HA THR 49 1.191 6.458 -2.442 317 HB THR 49 HB THR 49 2.636 8.004 -3.371 318 HG1 THR 49 1HG THR 49 4.436 8.534 -2.428 319 1HG2 THR 49 1HG2 THR 49 2.120 10.210 -2.464 320 2HG2 THR 49 2HG2 THR 49 1.641 9.491 -0.926 321 3HG2 THR 49 3HG2 THR 49 0.686 9.187 -2.376 322 H LEU 50 H LEU 50 3.969 6.417 -3.000 323 HA LEU 50 HA LEU 50 4.877 4.064 -1.398 324 1HB LEU 50 2HB LEU 50 4.355 3.800 -3.884 325 2HB LEU 50 1HB LEU 50 5.704 4.886 -4.202 326 HG LEU 50 HG LEU 50 7.244 3.339 -3.088 327 1HD1 LEU 50 1HD1 LEU 50 4.746 2.249 -2.091 328 2HD1 LEU 50 2HD1 LEU 50 6.390 1.949 -1.525 329 3HD1 LEU 50 3HD1 LEU 50 5.721 0.987 -2.843 330 1HD2 LEU 50 1HD2 LEU 50 6.440 1.239 -4.644 331 2HD2 LEU 50 2HD2 LEU 50 7.322 2.640 -5.248 332 3HD2 LEU 50 3HD2 LEU 50 5.564 2.576 -5.389 333 H SER 51 H SER 51 7.392 3.937 -1.417 334 HA SER 51 HA SER 51 8.629 6.643 -1.392 335 1HB SER 51 2HB SER 51 9.401 4.791 0.809 336 2HB SER 51 1HB SER 51 9.294 6.547 0.806 337 HG SER 51 HG SER 51 7.103 6.407 1.021 338 H HIS 52 H HIS 52 9.256 3.134 -1.032 339 HA HIS 52 HA HIS 52 11.068 2.984 -3.183 340 1HB HIS 52 2HB HIS 52 13.229 3.117 -2.222 341 2HB HIS 52 1HB HIS 52 12.378 4.513 -1.569 342 HD1 HIS 52 1HD HIS 52 13.671 1.114 -0.609 343 HD2 HIS 52 2HD HIS 52 11.896 4.412 1.221 344 HE1 HIS 52 1HE HIS 52 13.866 0.738 1.886 345 H PHE 53 H PHE 53 10.461 0.944 -3.626 346 HA PHE 53 HA PHE 53 9.488 -1.076 -2.066 347 1HB PHE 53 2HB PHE 53 11.093 -0.994 -4.541 348 2HB PHE 53 1HB PHE 53 11.158 -2.529 -3.679 349 HD1 PHE 53 1HD PHE 53 9.667 -4.069 -4.581 350 HD2 PHE 53 2HD PHE 53 8.475 0.040 -4.223 351 HE1 PHE 53 1HE PHE 53 7.417 -4.648 -5.448 352 HE2 PHE 53 2HE PHE 53 6.226 -0.539 -5.089 353 HZ PHE 53 HZ PHE 53 5.697 -2.879 -5.704 354 H GLY 54 H GLY 54 10.199 -1.969 -0.207 355 1HA GLY 54 2HA GLY 54 12.113 -3.481 0.622 356 2HA GLY 54 1HA GLY 54 13.143 -2.087 0.289 357 H LYS 55 H LYS 55 12.485 -3.457 2.890 358 HA LYS 55 HA LYS 55 10.733 -2.137 4.568 359 1HB LYS 55 2HB LYS 55 12.388 -3.932 5.244 360 2HB LYS 55 1HB LYS 55 13.617 -2.669 5.332 361 1HG LYS 55 2HG LYS 55 12.934 -2.402 7.479 362 2HG LYS 55 1HG LYS 55 11.540 -1.573 6.784 363 1HD LYS 55 2HD LYS 55 10.165 -3.203 7.502 364 2HD LYS 55 1HD LYS 55 11.118 -4.419 6.652 365 1HE LYS 55 2HE LYS 55 12.770 -4.056 8.711 366 2HE LYS 55 1HE LYS 55 11.284 -3.532 9.505 367 1HZ LYS 55 1HZ LYS 55 10.253 -5.599 9.008 368 2HZ LYS 55 2HZ LYS 55 11.759 -5.946 9.714 369 3HZ LYS 55 3HZ LYS 55 11.549 -6.095 8.034 370 H CYS 56 H CYS 56 10.442 -0.043 5.176 371 HA CYS 56 HA CYS 56 11.843 2.108 4.040 372 1HB CYS 56 2HB CYS 56 10.383 1.946 6.692 373 2HB CYS 56 1HB CYS 56 10.974 3.459 5.999 Start of MODEL 2 1 1H ALA 3 1HT ALA 3 -0.430 8.072 -6.141 2 2H ALA 3 2HT ALA 3 -0.639 9.602 -5.431 3 3H ALA 3 3HT ALA 3 0.831 9.205 -6.184 4 HA ALA 3 HA ALA 3 -1.101 8.797 -8.107 5 1HB ALA 3 1HB ALA 3 -2.517 10.207 -6.500 6 2HB ALA 3 2HB ALA 3 -2.386 10.806 -8.154 7 3HB ALA 3 3HB ALA 3 -1.422 11.539 -6.871 8 H VAL 4 H VAL 4 1.631 8.756 -8.044 9 HA VAL 4 HA VAL 4 2.326 11.198 -9.607 10 HB VAL 4 HB VAL 4 4.736 10.649 -8.694 11 1HG1 VAL 4 1HG1 VAL 4 3.329 11.812 -6.446 12 2HG1 VAL 4 2HG1 VAL 4 2.683 12.435 -7.965 13 3HG1 VAL 4 3HG1 VAL 4 4.402 12.592 -7.606 14 1HG2 VAL 4 1HG2 VAL 4 3.412 8.613 -7.473 15 2HG2 VAL 4 2HG2 VAL 4 3.321 9.843 -6.213 16 3HG2 VAL 4 3HG2 VAL 4 4.891 9.329 -6.831 17 H SER 5 H SER 5 1.677 8.105 -9.931 18 HA SER 5 HA SER 5 2.553 7.600 -12.456 19 1HB SER 5 2HB SER 5 4.743 6.203 -11.838 20 2HB SER 5 1HB SER 5 4.832 7.918 -12.228 21 HG SER 5 HG SER 5 5.618 8.144 -10.300 22 H VAL 6 H VAL 6 0.621 6.672 -10.541 23 HA VAL 6 HA VAL 6 1.041 3.748 -10.878 24 HB VAL 6 HB VAL 6 1.730 4.233 -8.571 25 1HG1 VAL 6 1HG1 VAL 6 -0.320 6.173 -8.742 26 2HG1 VAL 6 2HG1 VAL 6 0.718 5.838 -7.356 27 3HG1 VAL 6 3HG1 VAL 6 -0.839 5.024 -7.509 28 1HG2 VAL 6 1HG2 VAL 6 0.368 2.613 -7.504 29 2HG2 VAL 6 2HG2 VAL 6 0.248 2.208 -9.217 30 3HG2 VAL 6 3HG2 VAL 6 -1.061 3.086 -8.424 31 H ASP 7 H ASP 7 -0.787 2.801 -11.672 32 HA ASP 7 HA ASP 7 -3.268 4.447 -11.714 33 1HB ASP 7 2HB ASP 7 -2.033 2.484 -13.531 34 2HB ASP 7 1HB ASP 7 -3.772 2.282 -13.324 35 H CYS 8 H CYS 8 -3.505 3.769 -9.351 36 HA CYS 8 HA CYS 8 -4.850 1.100 -9.232 37 1HB CYS 8 2HB CYS 8 -2.591 1.783 -7.828 38 2HB CYS 8 1HB CYS 8 -3.865 2.200 -6.681 39 H SER 9 H SER 9 -5.937 3.824 -9.811 40 HA SER 9 HA SER 9 -7.428 4.587 -7.413 41 1HB SER 9 2HB SER 9 -8.257 5.528 -10.120 42 2HB SER 9 1HB SER 9 -8.118 6.431 -8.613 43 HG SER 9 HG SER 9 -6.260 5.947 -10.578 44 H GLU 10 H GLU 10 -7.713 1.876 -8.881 45 HA GLU 10 HA GLU 10 -10.646 1.773 -8.606 46 1HB GLU 10 2HB GLU 10 -9.538 1.997 -11.129 47 2HB GLU 10 1HB GLU 10 -9.686 0.250 -10.931 48 1HG GLU 10 2HG GLU 10 -12.074 1.396 -9.908 49 2HG GLU 10 1HG GLU 10 -11.758 2.169 -11.462 50 H TYR 11 H TYR 11 -8.212 0.777 -7.152 51 HA TYR 11 HA TYR 11 -8.796 -2.152 -7.388 52 1HB TYR 11 2HB TYR 11 -6.307 -0.739 -7.488 53 2HB TYR 11 1HB TYR 11 -6.328 -1.739 -6.036 54 HD1 TYR 11 1HD TYR 11 -7.628 -2.092 -9.549 55 HD2 TYR 11 2HD TYR 11 -5.352 -3.823 -6.342 56 HE1 TYR 11 1HE TYR 11 -7.216 -4.110 -10.930 57 HE2 TYR 11 2HE TYR 11 -4.941 -5.840 -7.723 58 HH TYR 11 HH TYR 11 -5.576 -5.939 -11.066 59 HA PRO 12 HA PRO 12 -9.573 -0.554 -2.997 60 1HB PRO 12 2HB PRO 12 -12.319 -0.481 -3.047 61 2HB PRO 12 1HB PRO 12 -11.302 0.928 -3.399 62 1HG PRO 12 2HG PRO 12 -12.812 -0.826 -5.299 63 2HG PRO 12 1HG PRO 12 -12.415 0.896 -5.434 64 1HD PRO 12 2HD PRO 12 -11.061 -1.160 -6.773 65 2HD PRO 12 1HD PRO 12 -10.429 0.476 -6.481 66 H LYS 13 H LYS 13 -8.845 -2.787 -2.625 67 HA LYS 13 HA LYS 13 -11.030 -4.565 -1.860 68 1HB LYS 13 2HB LYS 13 -10.082 -6.468 -3.282 69 2HB LYS 13 1HB LYS 13 -10.983 -5.227 -4.154 70 1HG LYS 13 2HG LYS 13 -8.883 -4.114 -4.780 71 2HG LYS 13 1HG LYS 13 -7.963 -5.317 -3.875 72 1HD LYS 13 2HD LYS 13 -9.810 -6.592 -5.719 73 2HD LYS 13 1HD LYS 13 -8.732 -5.482 -6.567 74 1HE LYS 13 2HE LYS 13 -7.450 -7.430 -6.535 75 2HE LYS 13 1HE LYS 13 -6.873 -6.607 -5.085 76 1HZ LYS 13 1HZ LYS 13 -9.060 -8.611 -5.099 77 2HZ LYS 13 2HZ LYS 13 -8.318 -7.914 -3.738 78 3HZ LYS 13 3HZ LYS 13 -7.444 -8.974 -4.737 79 H CYS 14 H CYS 14 -10.073 -4.486 0.204 80 HA CYS 14 HA CYS 14 -7.250 -5.297 0.496 81 1HB CYS 14 2HB CYS 14 -9.131 -4.895 2.806 82 2HB CYS 14 1HB CYS 14 -7.403 -4.560 2.710 83 H ALA 15 H ALA 15 -9.311 -7.201 -0.527 84 HA ALA 15 HA ALA 15 -9.408 -9.173 1.702 85 1HB ALA 15 1HB ALA 15 -10.640 -9.965 -0.837 86 2HB ALA 15 2HB ALA 15 -11.301 -8.460 -0.197 87 3HB ALA 15 3HB ALA 15 -11.338 -9.926 0.782 88 H CYS 16 H CYS 16 -6.857 -8.795 0.739 89 HA CYS 16 HA CYS 16 -6.355 -10.860 -1.319 90 1HB CYS 16 2HB CYS 16 -4.610 -8.840 0.092 91 2HB CYS 16 1HB CYS 16 -3.928 -10.115 -0.917 92 H THR 17 H THR 17 -4.348 -12.302 -0.770 93 HA THR 17 HA THR 17 -4.978 -13.630 1.807 94 HB THR 17 HB THR 17 -3.163 -15.263 0.603 95 HG1 THR 17 1HG THR 17 -4.697 -14.228 -1.521 96 1HG2 THR 17 1HG2 THR 17 -5.030 -16.624 0.016 97 2HG2 THR 17 2HG2 THR 17 -6.074 -15.221 -0.203 98 3HG2 THR 17 3HG2 THR 17 -5.550 -15.685 1.416 99 H MET 18 H MET 18 -1.828 -13.900 0.272 100 HA MET 18 HA MET 18 -0.601 -12.128 2.294 101 1HB MET 18 2HB MET 18 -0.484 -15.103 2.347 102 2HB MET 18 1HB MET 18 1.014 -14.239 2.689 103 1HG MET 18 2HG MET 18 -1.598 -13.572 4.059 104 2HG MET 18 1HG MET 18 -0.452 -14.741 4.713 105 1HE MET 18 1HE MET 18 -1.799 -12.301 5.681 106 2HE MET 18 2HE MET 18 -0.866 -10.824 5.916 107 3HE MET 18 3HE MET 18 -0.578 -12.216 6.958 108 H GLU 19 H GLU 19 -0.541 -11.596 -0.388 109 HA GLU 19 HA GLU 19 1.615 -12.795 -1.842 110 1HB GLU 19 2HB GLU 19 -0.084 -11.340 -2.908 111 2HB GLU 19 1HB GLU 19 0.546 -9.956 -2.012 112 1HG GLU 19 2HG GLU 19 1.643 -9.768 -4.079 113 2HG GLU 19 1HG GLU 19 2.833 -10.610 -3.086 114 H TYR 20 H TYR 20 3.835 -12.488 -1.637 115 HA TYR 20 HA TYR 20 4.700 -10.726 0.570 116 1HB TYR 20 2HB TYR 20 5.554 -13.188 -0.085 117 2HB TYR 20 1HB TYR 20 6.711 -12.223 -1.007 118 HD1 TYR 20 1HD TYR 20 8.333 -10.805 0.078 119 HD2 TYR 20 2HD TYR 20 5.403 -12.941 2.377 120 HE1 TYR 20 1HE TYR 20 9.570 -10.260 2.156 121 HE2 TYR 20 2HE TYR 20 6.640 -12.399 4.457 122 HH TYR 20 HH TYR 20 8.548 -10.153 4.928 123 H ARG 21 H ARG 21 4.970 -8.680 0.029 124 HA ARG 21 HA ARG 21 6.967 -7.877 -1.914 125 1HB ARG 21 2HB ARG 21 4.435 -8.173 -2.978 126 2HB ARG 21 1HB ARG 21 4.446 -6.473 -2.509 127 1HG ARG 21 2HG ARG 21 5.677 -5.995 -4.322 128 2HG ARG 21 1HG ARG 21 6.966 -7.025 -3.699 129 1HD ARG 21 2HD ARG 21 4.675 -7.820 -5.506 130 2HD ARG 21 1HD ARG 21 6.403 -7.903 -5.852 131 HE ARG 21 HE ARG 21 4.986 -9.684 -3.913 132 1HH1 ARG 21 1HH2 ARG 21 7.893 -9.452 -3.373 133 2HH1 ARG 21 2HH2 ARG 21 8.566 -10.714 -4.350 134 1HH2 ARG 21 1HH1 ARG 21 5.729 -11.072 -6.311 135 2HH2 ARG 21 2HH1 ARG 21 7.341 -11.631 -6.013 136 HA PRO 22 HA PRO 22 6.389 -5.193 1.740 137 1HB PRO 22 2HB PRO 22 9.088 -4.942 2.221 138 2HB PRO 22 1HB PRO 22 8.087 -6.252 2.870 139 1HG PRO 22 2HG PRO 22 10.050 -6.324 0.619 140 2HG PRO 22 1HG PRO 22 9.554 -7.623 1.717 141 1HD PRO 22 2HD PRO 22 8.653 -7.303 -0.931 142 2HD PRO 22 1HD PRO 22 7.876 -8.314 0.306 143 H LEU 23 H LEU 23 5.797 -3.208 0.868 144 HA LEU 23 HA LEU 23 7.884 -1.769 -0.737 145 1HB LEU 23 2HB LEU 23 4.883 -1.800 -0.875 146 2HB LEU 23 1HB LEU 23 5.769 -0.390 -1.456 147 HG LEU 23 HG LEU 23 5.989 -3.251 -2.426 148 1HD1 LEU 23 1HD1 LEU 23 4.158 -1.665 -3.260 149 2HD1 LEU 23 2HD1 LEU 23 5.189 -2.386 -4.497 150 3HD1 LEU 23 3HD1 LEU 23 5.454 -0.718 -3.990 151 1HD2 LEU 23 1HD2 LEU 23 7.879 -0.955 -2.617 152 2HD2 LEU 23 2HD2 LEU 23 7.618 -1.898 -4.085 153 3HD2 LEU 23 3HD2 LEU 23 8.210 -2.687 -2.626 154 H CYS 24 H CYS 24 8.452 0.314 -0.073 155 HA CYS 24 HA CYS 24 7.539 1.052 2.643 156 1HB CYS 24 2HB CYS 24 10.004 0.983 1.825 157 2HB CYS 24 1HB CYS 24 9.630 2.522 1.050 158 H GLY 25 H GLY 25 5.527 2.068 2.394 159 1HA GLY 25 2HA GLY 25 4.941 3.952 0.295 160 2HA GLY 25 1HA GLY 25 4.029 3.792 1.796 161 H SER 26 H SER 26 4.791 6.258 0.426 162 HA SER 26 HA SER 26 7.032 7.564 1.554 163 1HB SER 26 2HB SER 26 5.355 8.388 -0.247 164 2HB SER 26 1HB SER 26 4.433 9.009 1.119 165 HG SER 26 HG SER 26 5.763 10.635 0.929 166 H ASP 27 H ASP 27 4.236 6.462 3.180 167 HA ASP 27 HA ASP 27 4.306 8.482 5.292 168 1HB ASP 27 2HB ASP 27 2.578 7.193 6.335 169 2HB ASP 27 1HB ASP 27 2.261 7.119 4.600 170 H ASN 28 H ASN 28 6.639 6.454 4.537 171 HA ASN 28 HA ASN 28 8.409 5.524 5.755 172 1HB ASN 28 2HB ASN 28 7.265 7.509 7.458 173 2HB ASN 28 1HB ASN 28 7.606 6.090 8.446 174 1HD2 ASN 28 1HD2 ASN 28 9.888 5.223 8.333 175 2HD2 ASN 28 2HD2 ASN 28 11.155 6.294 7.976 176 H LYS 29 H LYS 29 6.119 3.960 5.098 177 HA LYS 29 HA LYS 29 6.182 2.043 7.387 178 1HB LYS 29 2HB LYS 29 3.951 3.531 6.709 179 2HB LYS 29 1HB LYS 29 3.681 2.009 5.860 180 1HG LYS 29 2HG LYS 29 4.141 0.787 7.989 181 2HG LYS 29 1HG LYS 29 4.268 2.340 8.816 182 1HD LYS 29 2HD LYS 29 1.877 2.561 7.430 183 2HD LYS 29 1HD LYS 29 1.878 0.879 7.964 184 1HE LYS 29 2HE LYS 29 2.758 2.853 9.989 185 2HE LYS 29 1HE LYS 29 1.058 2.947 9.528 186 1HZ LYS 29 1HZ LYS 29 0.702 1.222 10.846 187 2HZ LYS 29 2HZ LYS 29 2.363 1.022 11.139 188 3HZ LYS 29 3HZ LYS 29 1.634 0.262 9.806 189 H THR 30 H THR 30 5.555 -0.193 6.680 190 HA THR 30 HA THR 30 6.302 -0.657 3.822 191 HB THR 30 HB THR 30 6.909 -2.512 6.137 192 HG1 THR 30 1HG THR 30 8.854 -1.604 6.253 193 1HG2 THR 30 1HG2 THR 30 6.715 -3.361 3.723 194 2HG2 THR 30 2HG2 THR 30 8.216 -3.727 4.574 195 3HG2 THR 30 3HG2 THR 30 8.167 -2.416 3.396 196 H TYR 31 H TYR 31 4.656 -1.656 2.715 197 HA TYR 31 HA TYR 31 2.500 -2.909 4.307 198 1HB TYR 31 2HB TYR 31 1.947 -3.134 1.530 199 2HB TYR 31 1HB TYR 31 1.165 -2.100 2.709 200 HD1 TYR 31 1HD TYR 31 2.785 0.031 3.384 201 HD2 TYR 31 2HD TYR 31 2.705 -2.088 -0.348 202 HE1 TYR 31 1HE TYR 31 3.697 2.025 2.225 203 HE2 TYR 31 2HE TYR 31 3.625 -0.102 -1.501 204 HH TYR 31 HH TYR 31 5.070 1.943 -0.748 205 H GLY 32 H GLY 32 1.627 -5.021 3.539 206 1HA GLY 32 2HA GLY 32 3.789 -6.943 3.242 207 2HA GLY 32 1HA GLY 32 2.068 -7.326 3.319 208 H ASN 33 H ASN 33 1.835 -5.149 1.053 209 HA ASN 33 HA ASN 33 3.177 -6.110 -1.244 210 1HB ASN 33 2HB ASN 33 1.208 -7.382 -2.271 211 2HB ASN 33 1HB ASN 33 2.117 -8.227 -1.018 212 1HD2 ASN 33 1HD2 ASN 33 0.418 -9.485 -0.102 213 2HD2 ASN 33 2HD2 ASN 33 -0.960 -8.803 0.617 214 H LYS 34 H LYS 34 2.016 -5.394 -3.290 215 HA LYS 34 HA LYS 34 1.153 -2.704 -3.044 216 1HB LYS 34 2HB LYS 34 1.550 -4.634 -5.182 217 2HB LYS 34 1HB LYS 34 0.120 -3.646 -5.476 218 1HG LYS 34 2HG LYS 34 1.624 -1.636 -4.846 219 2HG LYS 34 1HG LYS 34 2.972 -2.747 -5.091 220 1HD LYS 34 2HD LYS 34 2.784 -2.598 -7.332 221 2HD LYS 34 1HD LYS 34 1.055 -2.942 -7.263 222 1HE LYS 34 2HE LYS 34 1.357 -0.732 -8.221 223 2HE LYS 34 1HE LYS 34 0.664 -0.553 -6.609 224 1HZ LYS 34 1HZ LYS 34 3.082 0.475 -7.592 225 2HZ LYS 34 2HZ LYS 34 3.437 -0.618 -6.341 226 3HZ LYS 34 3HZ LYS 34 2.390 0.690 -6.060 227 H CYS 35 H CYS 35 -0.545 -5.616 -2.499 228 HA CYS 35 HA CYS 35 -3.187 -4.661 -3.244 229 1HB CYS 35 2HB CYS 35 -2.752 -7.067 -3.038 230 2HB CYS 35 1HB CYS 35 -2.331 -6.862 -1.337 231 H ASN 36 H ASN 36 -1.183 -4.611 -0.359 232 HA ASN 36 HA ASN 36 -3.285 -3.438 1.309 233 1HB ASN 36 2HB ASN 36 -0.903 -4.801 1.812 234 2HB ASN 36 1HB ASN 36 -0.531 -3.136 2.246 235 1HD2 ASN 36 1HD2 ASN 36 -3.239 -5.486 2.703 236 2HD2 ASN 36 2HD2 ASN 36 -3.562 -5.021 4.302 237 H PHE 37 H PHE 37 -0.846 -2.405 -0.887 238 HA PHE 37 HA PHE 37 -0.548 0.291 0.159 239 1HB PHE 37 2HB PHE 37 1.169 -0.851 -1.274 240 2HB PHE 37 1HB PHE 37 0.048 -0.754 -2.630 241 HD1 PHE 37 1HD PHE 37 0.279 1.064 -4.063 242 HD2 PHE 37 2HD PHE 37 1.425 1.492 0.057 243 HE1 PHE 37 1HE PHE 37 1.007 3.393 -4.506 244 HE2 PHE 37 2HE PHE 37 2.159 3.825 -0.384 245 HZ PHE 37 HZ PHE 37 1.944 4.769 -2.671 246 H CYS 38 H CYS 38 -2.395 -1.221 -2.477 247 HA CYS 38 HA CYS 38 -3.671 1.281 -3.244 248 1HB CYS 38 2HB CYS 38 -4.314 -1.610 -3.904 249 2HB CYS 38 1HB CYS 38 -5.141 -0.224 -4.616 250 H CYS 39 H CYS 39 -4.170 -1.113 -0.823 251 HA CYS 39 HA CYS 39 -7.022 -0.623 -0.460 252 1HB CYS 39 2HB CYS 39 -6.176 -2.745 0.307 253 2HB CYS 39 1HB CYS 39 -4.916 -1.961 1.259 254 H ALA 40 H ALA 40 -4.022 0.422 1.120 255 HA ALA 40 HA ALA 40 -5.445 2.190 2.961 256 1HB ALA 40 1HB ALA 40 -2.641 1.385 2.467 257 2HB ALA 40 2HB ALA 40 -3.472 1.695 3.992 258 3HB ALA 40 3HB ALA 40 -2.849 3.041 3.037 259 H VAL 41 H VAL 41 -4.262 2.350 -0.262 260 HA VAL 41 HA VAL 41 -3.950 5.251 -0.347 261 HB VAL 41 HB VAL 41 -4.125 3.116 -2.487 262 1HG1 VAL 41 1HG1 VAL 41 -3.577 6.075 -2.862 263 2HG1 VAL 41 2HG1 VAL 41 -5.106 5.290 -3.262 264 3HG1 VAL 41 3HG1 VAL 41 -3.633 4.845 -4.125 265 1HG2 VAL 41 1HG2 VAL 41 -1.790 4.928 -2.105 266 2HG2 VAL 41 2HG2 VAL 41 -1.827 3.217 -2.536 267 3HG2 VAL 41 3HG2 VAL 41 -2.062 3.709 -0.860 268 H VAL 42 H VAL 42 -6.479 2.909 -1.098 269 HA VAL 42 HA VAL 42 -8.261 4.999 -2.141 270 HB VAL 42 HB VAL 42 -8.850 2.098 -1.475 271 1HG1 VAL 42 1HG1 VAL 42 -10.528 4.283 -2.185 272 2HG1 VAL 42 2HG1 VAL 42 -10.970 2.582 -2.053 273 3HG1 VAL 42 3HG1 VAL 42 -10.419 3.232 -3.597 274 1HG2 VAL 42 1HG2 VAL 42 -7.042 2.859 -3.300 275 2HG2 VAL 42 2HG2 VAL 42 -8.498 3.108 -4.265 276 3HG2 VAL 42 3HG2 VAL 42 -8.145 1.514 -3.596 277 H GLU 43 H GLU 43 -7.431 3.710 0.917 278 HA GLU 43 HA GLU 43 -10.036 4.500 2.106 279 1HB GLU 43 2HB GLU 43 -9.375 3.327 4.054 280 2HB GLU 43 1HB GLU 43 -8.763 2.338 2.729 281 1HG GLU 43 2HG GLU 43 -6.890 2.462 4.113 282 2HG GLU 43 1HG GLU 43 -6.598 3.808 3.010 283 H SER 44 H SER 44 -6.830 5.685 1.640 284 HA SER 44 HA SER 44 -7.211 7.743 3.764 285 1HB SER 44 2HB SER 44 -4.990 6.292 3.165 286 2HB SER 44 1HB SER 44 -4.712 7.715 2.166 287 HG SER 44 HG SER 44 -3.993 7.719 4.481 288 H ASN 45 H ASN 45 -8.239 7.417 0.769 289 HA ASN 45 HA ASN 45 -8.961 8.975 -0.830 290 1HB ASN 45 2HB ASN 45 -9.261 10.446 1.227 291 2HB ASN 45 1HB ASN 45 -7.659 11.102 0.884 292 1HD2 ASN 45 1HD2 ASN 45 -7.878 13.063 -0.201 293 2HD2 ASN 45 2HD2 ASN 45 -9.019 13.383 -1.416 294 H GLY 46 H GLY 46 -6.052 7.887 -0.430 295 1HA GLY 46 2HA GLY 46 -4.410 7.832 -2.203 296 2HA GLY 46 1HA GLY 46 -4.957 9.430 -2.720 297 H THR 47 H THR 47 -4.451 8.828 0.667 298 HA THR 47 HA THR 47 -2.417 10.916 0.748 299 HB THR 47 HB THR 47 -3.588 9.115 2.881 300 HG1 THR 47 1HG THR 47 -4.727 10.967 1.706 301 1HG2 THR 47 1HG2 THR 47 -1.897 9.767 4.201 302 2HG2 THR 47 2HG2 THR 47 -2.417 11.438 3.984 303 3HG2 THR 47 3HG2 THR 47 -1.216 10.739 2.897 304 H LEU 48 H LEU 48 -2.505 7.397 0.980 305 HA LEU 48 HA LEU 48 0.264 7.150 1.829 306 1HB LEU 48 2HB LEU 48 -1.740 5.415 1.939 307 2HB LEU 48 1HB LEU 48 -1.146 4.960 0.341 308 HG LEU 48 HG LEU 48 1.193 4.893 1.478 309 1HD1 LEU 48 1HD1 LEU 48 0.870 5.817 3.600 310 2HD1 LEU 48 2HD1 LEU 48 0.769 4.091 3.947 311 3HD1 LEU 48 3HD1 LEU 48 -0.705 5.049 3.803 312 1HD2 LEU 48 1HD2 LEU 48 0.944 2.620 1.538 313 2HD2 LEU 48 2HD2 LEU 48 -0.649 2.980 0.871 314 3HD2 LEU 48 3HD2 LEU 48 -0.460 2.704 2.603 315 H THR 49 H THR 49 2.083 6.711 0.499 316 HA THR 49 HA THR 49 1.658 6.633 -2.430 317 HB THR 49 HB THR 49 3.349 8.485 -2.725 318 HG1 THR 49 1HG THR 49 3.514 9.857 -0.852 319 1HG2 THR 49 1HG2 THR 49 1.708 10.146 -2.653 320 2HG2 THR 49 2HG2 THR 49 0.985 9.501 -1.179 321 3HG2 THR 49 3HG2 THR 49 0.747 8.669 -2.716 322 H LEU 50 H LEU 50 4.398 7.062 -3.089 323 HA LEU 50 HA LEU 50 5.601 4.606 -1.890 324 1HB LEU 50 2HB LEU 50 5.211 4.271 -4.230 325 2HB LEU 50 1HB LEU 50 5.844 5.866 -4.633 326 HG LEU 50 HG LEU 50 8.072 5.043 -3.627 327 1HD1 LEU 50 1HD1 LEU 50 8.277 2.890 -2.952 328 2HD1 LEU 50 2HD1 LEU 50 7.381 2.285 -4.345 329 3HD1 LEU 50 3HD1 LEU 50 6.515 2.862 -2.922 330 1HD2 LEU 50 1HD2 LEU 50 7.821 5.358 -6.010 331 2HD2 LEU 50 2HD2 LEU 50 6.903 3.859 -6.161 332 3HD2 LEU 50 3HD2 LEU 50 8.619 3.805 -5.757 333 H SER 51 H SER 51 7.906 4.660 -1.443 334 HA SER 51 HA SER 51 9.251 7.281 -1.642 335 1HB SER 51 2HB SER 51 8.576 7.806 0.465 336 2HB SER 51 1HB SER 51 8.199 6.133 0.867 337 HG SER 51 HG SER 51 10.179 7.370 1.790 338 H HIS 52 H HIS 52 9.419 3.843 -0.777 339 HA HIS 52 HA HIS 52 12.090 3.679 -1.919 340 1HB HIS 52 2HB HIS 52 12.958 4.425 0.119 341 2HB HIS 52 1HB HIS 52 11.663 3.689 1.056 342 HD1 HIS 52 1HD HIS 52 11.848 1.141 1.568 343 HD2 HIS 52 2HD HIS 52 15.132 2.686 -0.483 344 HE1 HIS 52 1HE HIS 52 13.654 -0.627 1.676 345 H PHE 53 H PHE 53 11.319 2.000 -3.193 346 HA PHE 53 HA PHE 53 9.632 -0.126 -2.466 347 1HB PHE 53 2HB PHE 53 11.550 0.428 -4.595 348 2HB PHE 53 1HB PHE 53 11.515 -1.283 -4.176 349 HD1 PHE 53 1HD PHE 53 8.608 0.930 -3.688 350 HD2 PHE 53 2HD PHE 53 10.447 -1.990 -6.245 351 HE1 PHE 53 1HE PHE 53 6.474 0.673 -4.928 352 HE2 PHE 53 2HE PHE 53 8.314 -2.249 -7.484 353 HZ PHE 53 HZ PHE 53 6.328 -0.919 -6.825 354 H GLY 54 H GLY 54 9.896 -1.782 -1.017 355 1HA GLY 54 2HA GLY 54 11.384 -3.680 -0.325 356 2HA GLY 54 1HA GLY 54 12.700 -2.508 -0.260 357 H LYS 55 H LYS 55 12.577 -3.728 2.013 358 HA LYS 55 HA LYS 55 10.581 -2.796 3.888 359 1HB LYS 55 2HB LYS 55 12.313 -4.826 3.981 360 2HB LYS 55 1HB LYS 55 13.302 -3.626 4.815 361 1HG LYS 55 2HG LYS 55 11.662 -3.312 6.520 362 2HG LYS 55 1HG LYS 55 10.431 -4.173 5.594 363 1HD LYS 55 2HD LYS 55 11.251 -5.667 7.317 364 2HD LYS 55 1HD LYS 55 11.853 -6.243 5.760 365 1HE LYS 55 2HE LYS 55 13.858 -4.549 6.440 366 2HE LYS 55 1HE LYS 55 13.336 -5.065 8.045 367 1HZ LYS 55 1HZ LYS 55 15.080 -6.453 6.778 368 2HZ LYS 55 2HZ LYS 55 13.747 -7.056 5.914 369 3HZ LYS 55 3HZ LYS 55 13.831 -7.254 7.599 370 H CYS 56 H CYS 56 10.672 -1.032 5.284 371 HA CYS 56 HA CYS 56 12.547 1.100 4.556 372 1HB CYS 56 2HB CYS 56 10.644 1.218 6.890 373 2HB CYS 56 1HB CYS 56 11.185 2.526 5.838 Start of MODEL 3 1 1H ALA 3 1HT ALA 3 2.235 9.428 -10.814 2 2H ALA 3 2HT ALA 3 1.051 10.184 -9.858 3 3H ALA 3 3HT ALA 3 1.403 8.536 -9.636 4 HA ALA 3 HA ALA 3 3.227 10.811 -9.078 5 1HB ALA 3 1HB ALA 3 1.204 9.469 -7.524 6 2HB ALA 3 2HB ALA 3 2.249 10.809 -7.050 7 3HB ALA 3 3HB ALA 3 2.791 9.145 -6.827 8 H VAL 4 H VAL 4 2.764 7.287 -8.565 9 HA VAL 4 HA VAL 4 5.629 6.922 -9.295 10 HB VAL 4 HB VAL 4 5.867 5.307 -7.404 11 1HG1 VAL 4 1HG1 VAL 4 5.896 7.067 -5.597 12 2HG1 VAL 4 2HG1 VAL 4 5.101 8.160 -6.729 13 3HG1 VAL 4 3HG1 VAL 4 6.716 7.548 -7.081 14 1HG2 VAL 4 1HG2 VAL 4 3.225 5.156 -7.303 15 2HG2 VAL 4 2HG2 VAL 4 3.403 6.503 -6.178 16 3HG2 VAL 4 3HG2 VAL 4 4.182 4.958 -5.834 17 H SER 5 H SER 5 3.186 6.411 -10.794 18 HA SER 5 HA SER 5 2.433 4.701 -12.226 19 1HB SER 5 2HB SER 5 5.008 3.957 -11.662 20 2HB SER 5 1HB SER 5 4.110 2.577 -11.036 21 HG SER 5 HG SER 5 4.527 3.400 -13.613 22 H VAL 6 H VAL 6 0.477 4.889 -10.842 23 HA VAL 6 HA VAL 6 -0.110 2.289 -9.567 24 HB VAL 6 HB VAL 6 0.646 3.513 -7.645 25 1HG1 VAL 6 1HG1 VAL 6 0.359 5.762 -7.322 26 2HG1 VAL 6 2HG1 VAL 6 -1.271 5.756 -7.996 27 3HG1 VAL 6 3HG1 VAL 6 0.127 5.755 -9.070 28 1HG2 VAL 6 1HG2 VAL 6 -2.028 2.663 -7.959 29 2HG2 VAL 6 2HG2 VAL 6 -2.113 4.195 -7.090 30 3HG2 VAL 6 3HG2 VAL 6 -1.150 2.867 -6.443 31 H ASP 7 H ASP 7 -1.785 1.794 -10.949 32 HA ASP 7 HA ASP 7 -3.886 3.875 -11.374 33 1HB ASP 7 2HB ASP 7 -3.272 1.323 -12.897 34 2HB ASP 7 1HB ASP 7 -4.625 2.397 -13.251 35 H CYS 8 H CYS 8 -4.780 3.442 -9.223 36 HA CYS 8 HA CYS 8 -6.572 1.066 -9.264 37 1HB CYS 8 2HB CYS 8 -5.006 1.847 -6.793 38 2HB CYS 8 1HB CYS 8 -5.991 0.405 -7.038 39 H SER 9 H SER 9 -7.403 3.632 -9.857 40 HA SER 9 HA SER 9 -8.362 4.978 -7.443 41 1HB SER 9 2HB SER 9 -9.608 5.616 -10.056 42 2HB SER 9 1HB SER 9 -8.945 6.697 -8.832 43 HG SER 9 HG SER 9 -7.764 5.579 -11.034 44 H GLU 10 H GLU 10 -9.200 2.138 -8.263 45 HA GLU 10 HA GLU 10 -11.947 2.365 -7.353 46 1HB GLU 10 2HB GLU 10 -12.876 1.137 -9.341 47 2HB GLU 10 1HB GLU 10 -12.336 2.772 -9.727 48 1HG GLU 10 2HG GLU 10 -10.086 1.056 -10.019 49 2HG GLU 10 1HG GLU 10 -11.437 0.289 -10.853 50 H TYR 11 H TYR 11 -9.402 1.162 -6.550 51 HA TYR 11 HA TYR 11 -10.168 -1.733 -6.664 52 1HB TYR 11 2HB TYR 11 -7.861 -0.635 -7.632 53 2HB TYR 11 1HB TYR 11 -7.375 -1.048 -5.989 54 HD1 TYR 11 1HD TYR 11 -7.609 -2.267 -9.259 55 HD2 TYR 11 2HD TYR 11 -8.270 -3.459 -5.186 56 HE1 TYR 11 1HE TYR 11 -7.395 -4.643 -9.922 57 HE2 TYR 11 2HE TYR 11 -8.058 -5.837 -5.849 58 HH TYR 11 HH TYR 11 -7.761 -6.783 -9.241 59 HA PRO 12 HA PRO 12 -10.135 -0.315 -2.230 60 1HB PRO 12 2HB PRO 12 -12.746 -0.982 -1.695 61 2HB PRO 12 1HB PRO 12 -12.251 0.616 -2.286 62 1HG PRO 12 2HG PRO 12 -13.601 -1.600 -3.765 63 2HG PRO 12 1HG PRO 12 -13.669 0.146 -4.053 64 1HD PRO 12 2HD PRO 12 -12.121 -1.703 -5.526 65 2HD PRO 12 1HD PRO 12 -11.936 0.062 -5.545 66 H LYS 13 H LYS 13 -8.863 -2.106 -1.560 67 HA LYS 13 HA LYS 13 -10.289 -4.427 -0.568 68 1HB LYS 13 2HB LYS 13 -9.151 -4.519 -3.245 69 2HB LYS 13 1HB LYS 13 -8.423 -5.733 -2.192 70 1HG LYS 13 2HG LYS 13 -10.403 -6.870 -1.897 71 2HG LYS 13 1HG LYS 13 -11.383 -5.411 -2.057 72 1HD LYS 13 2HD LYS 13 -11.816 -6.030 -4.178 73 2HD LYS 13 1HD LYS 13 -10.117 -5.723 -4.546 74 1HE LYS 13 2HE LYS 13 -10.304 -8.256 -3.226 75 2HE LYS 13 1HE LYS 13 -11.482 -8.228 -4.539 76 1HZ LYS 13 1HZ LYS 13 -9.691 -7.438 -6.012 77 2HZ LYS 13 2HZ LYS 13 -9.385 -8.983 -5.375 78 3HZ LYS 13 3HZ LYS 13 -8.583 -7.626 -4.742 79 H CYS 14 H CYS 14 -9.230 -3.997 1.389 80 HA CYS 14 HA CYS 14 -6.259 -3.992 1.368 81 1HB CYS 14 2HB CYS 14 -8.346 -3.193 3.389 82 2HB CYS 14 1HB CYS 14 -6.686 -3.507 3.895 83 H ALA 15 H ALA 15 -8.122 -6.371 0.992 84 HA ALA 15 HA ALA 15 -7.067 -8.020 3.255 85 1HB ALA 15 1HB ALA 15 -9.052 -9.562 2.245 86 2HB ALA 15 2HB ALA 15 -9.699 -7.964 1.874 87 3HB ALA 15 3HB ALA 15 -9.311 -8.393 3.540 88 H CYS 16 H CYS 16 -5.176 -7.836 1.519 89 HA CYS 16 HA CYS 16 -5.529 -10.036 -0.472 90 1HB CYS 16 2HB CYS 16 -3.266 -8.056 -0.539 91 2HB CYS 16 1HB CYS 16 -3.975 -8.978 -1.866 92 H THR 17 H THR 17 -3.782 -11.556 -0.681 93 HA THR 17 HA THR 17 -1.573 -11.515 1.229 94 HB THR 17 HB THR 17 -3.537 -12.348 2.586 95 HG1 THR 17 1HG THR 17 -1.163 -13.095 2.625 96 1HG2 THR 17 1HG2 THR 17 -4.915 -13.866 1.672 97 2HG2 THR 17 2HG2 THR 17 -3.583 -15.020 1.599 98 3HG2 THR 17 3HG2 THR 17 -3.895 -13.943 0.236 99 H MET 18 H MET 18 -2.100 -11.759 -1.698 100 HA MET 18 HA MET 18 -1.284 -14.527 -2.309 101 1HB MET 18 2HB MET 18 -2.612 -12.428 -3.717 102 2HB MET 18 1HB MET 18 -1.141 -12.826 -4.602 103 1HG MET 18 2HG MET 18 -1.768 -15.112 -4.825 104 2HG MET 18 1HG MET 18 -3.035 -14.962 -3.608 105 1HE MET 18 1HE MET 18 -4.221 -16.264 -6.385 106 2HE MET 18 2HE MET 18 -2.511 -15.896 -6.599 107 3HE MET 18 3HE MET 18 -3.690 -15.274 -7.752 108 H GLU 19 H GLU 19 -0.014 -11.557 -3.765 109 HA GLU 19 HA GLU 19 2.690 -12.690 -3.719 110 1HB GLU 19 2HB GLU 19 2.119 -11.444 -5.682 111 2HB GLU 19 1HB GLU 19 1.542 -10.076 -4.728 112 1HG GLU 19 2HG GLU 19 3.802 -9.620 -3.935 113 2HG GLU 19 1HG GLU 19 4.413 -11.054 -4.765 114 H TYR 20 H TYR 20 4.174 -12.320 -2.130 115 HA TYR 20 HA TYR 20 3.524 -10.230 -0.107 116 1HB TYR 20 2HB TYR 20 4.088 -12.765 0.422 117 2HB TYR 20 1HB TYR 20 5.748 -12.192 0.258 118 HD1 TYR 20 1HD TYR 20 2.724 -12.116 2.300 119 HD2 TYR 20 2HD TYR 20 6.601 -10.359 1.716 120 HE1 TYR 20 1HE TYR 20 2.622 -11.132 4.574 121 HE2 TYR 20 2HE TYR 20 6.497 -9.374 3.990 122 HH TYR 20 HH TYR 20 4.727 -10.329 6.325 123 H ARG 21 H ARG 21 4.524 -8.356 -0.477 124 HA ARG 21 HA ARG 21 7.412 -8.346 -1.108 125 1HB ARG 21 2HB ARG 21 5.822 -8.121 -3.210 126 2HB ARG 21 1HB ARG 21 5.642 -6.465 -2.630 127 1HG ARG 21 2HG ARG 21 7.496 -6.662 -4.264 128 2HG ARG 21 1HG ARG 21 8.075 -6.160 -2.677 129 1HD ARG 21 2HD ARG 21 9.394 -8.026 -3.873 130 2HD ARG 21 1HD ARG 21 8.951 -8.307 -2.191 131 HE ARG 21 HE ARG 21 6.952 -9.605 -3.195 132 1HH1 ARG 21 1HH1 ARG 21 10.099 -10.377 -3.560 133 2HH1 ARG 21 2HH1 ARG 21 9.936 -11.285 -5.027 134 1HH2 ARG 21 1HH2 ARG 21 6.679 -10.253 -5.620 135 2HH2 ARG 21 2HH2 ARG 21 8.002 -11.213 -6.194 136 HA PRO 22 HA PRO 22 6.744 -5.237 2.047 137 1HB PRO 22 2HB PRO 22 9.406 -4.929 2.649 138 2HB PRO 22 1HB PRO 22 8.409 -6.258 3.268 139 1HG PRO 22 2HG PRO 22 10.489 -6.309 1.130 140 2HG PRO 22 1HG PRO 22 9.948 -7.613 2.200 141 1HD PRO 22 2HD PRO 22 9.193 -7.275 -0.505 142 2HD PRO 22 1HD PRO 22 8.412 -8.356 0.670 143 H LEU 23 H LEU 23 6.534 -3.066 1.679 144 HA LEU 23 HA LEU 23 8.508 -1.730 -0.122 145 1HB LEU 23 2HB LEU 23 5.600 -0.972 -0.176 146 2HB LEU 23 1HB LEU 23 6.830 -0.700 -1.406 147 HG LEU 23 HG LEU 23 5.592 -3.365 -0.637 148 1HD1 LEU 23 1HD1 LEU 23 5.468 -2.653 -3.428 149 2HD1 LEU 23 2HD1 LEU 23 4.800 -1.342 -2.454 150 3HD1 LEU 23 3HD1 LEU 23 4.141 -2.971 -2.309 151 1HD2 LEU 23 1HD2 LEU 23 7.417 -4.350 -1.518 152 2HD2 LEU 23 2HD2 LEU 23 8.152 -2.768 -1.779 153 3HD2 LEU 23 3HD2 LEU 23 7.141 -3.488 -3.032 154 H CYS 24 H CYS 24 8.959 0.441 0.435 155 HA CYS 24 HA CYS 24 8.114 1.206 3.166 156 1HB CYS 24 2HB CYS 24 10.514 1.449 2.063 157 2HB CYS 24 1HB CYS 24 9.832 2.939 1.411 158 H GLY 25 H GLY 25 5.977 1.883 2.982 159 1HA GLY 25 2HA GLY 25 5.160 3.565 0.731 160 2HA GLY 25 1HA GLY 25 4.124 3.012 2.041 161 H SER 26 H SER 26 4.423 5.687 0.855 162 HA SER 26 HA SER 26 5.844 7.514 2.480 163 1HB SER 26 2HB SER 26 3.526 7.631 0.652 164 2HB SER 26 1HB SER 26 3.587 8.916 1.856 165 HG SER 26 HG SER 26 4.963 9.757 0.499 166 H ASP 27 H ASP 27 3.346 5.435 3.447 167 HA ASP 27 HA ASP 27 2.084 7.195 5.379 168 1HB ASP 27 2HB ASP 27 0.823 5.295 6.017 169 2HB ASP 27 1HB ASP 27 1.134 5.026 4.303 170 H ASN 28 H ASN 28 5.165 6.120 5.255 171 HA ASN 28 HA ASN 28 6.832 6.165 6.916 172 1HB ASN 28 2HB ASN 28 4.763 7.530 8.109 173 2HB ASN 28 1HB ASN 28 4.992 6.175 9.216 174 1HD2 ASN 28 1HD2 ASN 28 5.967 9.286 8.853 175 2HD2 ASN 28 2HD2 ASN 28 7.533 9.190 9.502 176 H LYS 29 H LYS 29 5.329 3.732 5.939 177 HA LYS 29 HA LYS 29 6.332 1.941 8.075 178 1HB LYS 29 2HB LYS 29 3.474 1.750 7.092 179 2HB LYS 29 1HB LYS 29 4.257 0.649 8.220 180 1HG LYS 29 2HG LYS 29 3.956 3.618 8.744 181 2HG LYS 29 1HG LYS 29 2.803 2.410 9.310 182 1HD LYS 29 2HD LYS 29 4.369 1.400 10.743 183 2HD LYS 29 1HD LYS 29 5.744 2.116 9.900 184 1HE LYS 29 2HE LYS 29 5.384 3.271 12.031 185 2HE LYS 29 1HE LYS 29 5.027 4.363 10.693 186 1HZ LYS 29 1HZ LYS 29 3.189 3.051 12.566 187 2HZ LYS 29 2HZ LYS 29 2.643 3.396 10.993 188 3HZ LYS 29 3HZ LYS 29 3.192 4.650 11.999 189 H THR 30 H THR 30 5.863 -0.439 7.332 190 HA THR 30 HA THR 30 6.882 -0.618 4.564 191 HB THR 30 HB THR 30 6.601 -2.631 6.813 192 HG1 THR 30 1HG THR 30 8.662 -2.253 7.051 193 1HG2 THR 30 1HG2 THR 30 6.198 -3.972 4.918 194 2HG2 THR 30 2HG2 THR 30 7.943 -4.093 5.142 195 3HG2 THR 30 3HG2 THR 30 7.284 -3.022 3.905 196 H TYR 31 H TYR 31 5.822 -2.171 3.063 197 HA TYR 31 HA TYR 31 2.871 -2.258 3.520 198 1HB TYR 31 2HB TYR 31 4.546 -1.507 1.226 199 2HB TYR 31 1HB TYR 31 3.238 -2.611 0.813 200 HD1 TYR 31 1HD TYR 31 4.084 0.763 1.159 201 HD2 TYR 31 2HD TYR 31 0.900 -1.985 2.032 202 HE1 TYR 31 1HE TYR 31 2.479 2.651 1.237 203 HE2 TYR 31 2HE TYR 31 -0.706 -0.094 2.112 204 HH TYR 31 HH TYR 31 0.209 3.145 1.143 205 H GLY 32 H GLY 32 1.744 -4.153 2.800 206 1HA GLY 32 2HA GLY 32 3.348 -6.609 3.019 207 2HA GLY 32 1HA GLY 32 1.586 -6.523 2.939 208 H ASN 33 H ASN 33 1.770 -4.718 0.530 209 HA ASN 33 HA ASN 33 3.168 -5.889 -1.604 210 1HB ASN 33 2HB ASN 33 1.207 -7.212 -2.630 211 2HB ASN 33 1HB ASN 33 2.104 -7.983 -1.323 212 1HD2 ASN 33 1HD2 ASN 33 0.683 -8.997 0.088 213 2HD2 ASN 33 2HD2 ASN 33 -0.829 -8.387 0.558 214 H LYS 34 H LYS 34 2.127 -5.344 -3.754 215 HA LYS 34 HA LYS 34 1.292 -2.631 -3.785 216 1HB LYS 34 2HB LYS 34 2.158 -4.442 -5.668 217 2HB LYS 34 1HB LYS 34 0.465 -4.226 -6.115 218 1HG LYS 34 2HG LYS 34 0.852 -1.727 -5.989 219 2HG LYS 34 1HG LYS 34 2.574 -2.075 -5.819 220 1HD LYS 34 2HD LYS 34 1.869 -3.641 -7.975 221 2HD LYS 34 1HD LYS 34 0.868 -2.207 -8.207 222 1HE LYS 34 2HE LYS 34 3.769 -1.883 -7.500 223 2HE LYS 34 1HE LYS 34 3.317 -2.251 -9.166 224 1HZ LYS 34 1HZ LYS 34 1.580 -0.313 -8.559 225 2HZ LYS 34 2HZ LYS 34 3.080 -0.041 -9.310 226 3HZ LYS 34 3HZ LYS 34 2.916 0.172 -7.632 227 H CYS 35 H CYS 35 -0.526 -5.508 -3.211 228 HA CYS 35 HA CYS 35 -3.068 -4.437 -4.165 229 1HB CYS 35 2HB CYS 35 -2.528 -6.898 -3.902 230 2HB CYS 35 1HB CYS 35 -2.607 -6.657 -2.158 231 H ASN 36 H ASN 36 -1.216 -4.449 -1.201 232 HA ASN 36 HA ASN 36 -3.378 -3.278 0.401 233 1HB ASN 36 2HB ASN 36 -1.022 -4.674 0.967 234 2HB ASN 36 1HB ASN 36 -0.661 -3.020 1.453 235 1HD2 ASN 36 1HD2 ASN 36 -3.601 -5.119 1.646 236 2HD2 ASN 36 2HD2 ASN 36 -3.892 -4.801 3.288 237 H PHE 37 H PHE 37 -0.902 -2.270 -1.742 238 HA PHE 37 HA PHE 37 -0.611 0.427 -0.664 239 1HB PHE 37 2HB PHE 37 1.211 -0.747 -1.910 240 2HB PHE 37 1HB PHE 37 0.211 -0.698 -3.359 241 HD1 PHE 37 1HD PHE 37 -0.471 1.536 -4.322 242 HD2 PHE 37 2HD PHE 37 2.434 1.163 -1.182 243 HE1 PHE 37 1HE PHE 37 0.342 3.830 -4.804 244 HE2 PHE 37 2HE PHE 37 3.247 3.455 -1.660 245 HZ PHE 37 HZ PHE 37 2.203 4.789 -3.472 246 H CYS 38 H CYS 38 -2.270 -1.089 -3.424 247 HA CYS 38 HA CYS 38 -3.381 1.411 -4.381 248 1HB CYS 38 2HB CYS 38 -3.947 -1.502 -4.933 249 2HB CYS 38 1HB CYS 38 -4.975 -0.235 -5.603 250 H CYS 39 H CYS 39 -4.249 -0.904 -1.933 251 HA CYS 39 HA CYS 39 -7.031 0.040 -1.776 252 1HB CYS 39 2HB CYS 39 -6.567 -2.297 -1.215 253 2HB CYS 39 1HB CYS 39 -5.435 -1.792 0.041 254 H ALA 40 H ALA 40 -3.984 0.487 -0.052 255 HA ALA 40 HA ALA 40 -5.150 2.112 2.056 256 1HB ALA 40 1HB ALA 40 -2.814 0.829 1.898 257 2HB ALA 40 2HB ALA 40 -2.995 2.276 2.889 258 3HB ALA 40 3HB ALA 40 -2.273 2.391 1.285 259 H VAL 41 H VAL 41 -4.190 2.644 -1.206 260 HA VAL 41 HA VAL 41 -3.784 5.527 -0.916 261 HB VAL 41 HB VAL 41 -3.961 3.634 -3.263 262 1HG1 VAL 41 1HG1 VAL 41 -4.999 5.553 -4.176 263 2HG1 VAL 41 2HG1 VAL 41 -3.298 5.760 -4.593 264 3HG1 VAL 41 3HG1 VAL 41 -3.987 6.653 -3.238 265 1HG2 VAL 41 1HG2 VAL 41 -1.716 5.533 -2.810 266 2HG2 VAL 41 2HG2 VAL 41 -1.678 3.855 -3.348 267 3HG2 VAL 41 3HG2 VAL 41 -1.888 4.227 -1.637 268 H VAL 42 H VAL 42 -6.370 3.351 -1.963 269 HA VAL 42 HA VAL 42 -8.141 5.596 -2.647 270 HB VAL 42 HB VAL 42 -8.699 2.622 -2.428 271 1HG1 VAL 42 1HG1 VAL 42 -10.330 4.989 -3.329 272 2HG1 VAL 42 2HG1 VAL 42 -10.800 3.670 -2.257 273 3HG1 VAL 42 3HG1 VAL 42 -10.638 3.384 -3.990 274 1HG2 VAL 42 1HG2 VAL 42 -8.304 4.329 -4.902 275 2HG2 VAL 42 2HG2 VAL 42 -8.446 2.572 -4.826 276 3HG2 VAL 42 3HG2 VAL 42 -7.015 3.371 -4.173 277 H GLU 43 H GLU 43 -7.212 4.006 0.190 278 HA GLU 43 HA GLU 43 -9.813 4.467 1.539 279 1HB GLU 43 2HB GLU 43 -7.304 2.973 2.195 280 2HB GLU 43 1HB GLU 43 -8.294 3.562 3.531 281 1HG GLU 43 2HG GLU 43 -9.529 2.043 1.235 282 2HG GLU 43 1HG GLU 43 -8.808 1.196 2.603 283 H SER 44 H SER 44 -6.643 5.871 1.208 284 HA SER 44 HA SER 44 -7.110 7.672 3.519 285 1HB SER 44 2HB SER 44 -4.788 8.527 2.841 286 2HB SER 44 1HB SER 44 -4.868 6.872 3.439 287 HG SER 44 HG SER 44 -4.070 7.782 1.042 288 H ASN 45 H ASN 45 -8.183 7.602 0.458 289 HA ASN 45 HA ASN 45 -9.120 9.294 -0.889 290 1HB ASN 45 2HB ASN 45 -9.272 10.387 1.554 291 2HB ASN 45 1HB ASN 45 -8.062 11.467 0.864 292 1HD2 ASN 45 1HD2 ASN 45 -8.826 13.120 -0.491 293 2HD2 ASN 45 2HD2 ASN 45 -10.407 13.206 -1.102 294 H GLY 46 H GLY 46 -6.047 8.566 -0.547 295 1HA GLY 46 2HA GLY 46 -4.473 8.979 -2.375 296 2HA GLY 46 1HA GLY 46 -5.169 10.589 -2.552 297 H THR 47 H THR 47 -4.867 9.847 0.709 298 HA THR 47 HA THR 47 -2.607 11.704 0.965 299 HB THR 47 HB THR 47 -3.787 10.308 3.327 300 HG1 THR 47 1HG THR 47 -5.177 12.472 2.271 301 1HG2 THR 47 1HG2 THR 47 -2.143 12.002 3.733 302 2HG2 THR 47 2HG2 THR 47 -3.709 12.700 4.152 303 3HG2 THR 47 3HG2 THR 47 -2.937 13.120 2.623 304 H LEU 48 H LEU 48 -2.481 8.709 0.031 305 HA LEU 48 HA LEU 48 -0.155 8.057 1.783 306 1HB LEU 48 2HB LEU 48 -2.466 6.654 1.962 307 2HB LEU 48 1HB LEU 48 -1.673 5.767 0.659 308 HG LEU 48 HG LEU 48 0.313 5.438 2.036 309 1HD1 LEU 48 1HD1 LEU 48 -0.557 6.249 4.603 310 2HD1 LEU 48 2HD1 LEU 48 -0.867 7.611 3.527 311 3HD1 LEU 48 3HD1 LEU 48 0.758 6.940 3.654 312 1HD2 LEU 48 1HD2 LEU 48 -1.984 4.094 2.330 313 2HD2 LEU 48 2HD2 LEU 48 -1.877 4.765 3.957 314 3HD2 LEU 48 3HD2 LEU 48 -0.578 3.746 3.337 315 H THR 49 H THR 49 1.572 6.961 0.700 316 HA THR 49 HA THR 49 1.286 6.479 -2.204 317 HB THR 49 HB THR 49 2.669 8.148 -2.945 318 HG1 THR 49 1HG THR 49 4.504 8.653 -1.958 319 1HG2 THR 49 1HG2 THR 49 2.293 10.228 -1.753 320 2HG2 THR 49 2HG2 THR 49 1.922 9.355 -0.267 321 3HG2 THR 49 3HG2 THR 49 0.829 9.253 -1.648 322 H LEU 50 H LEU 50 4.106 6.449 -2.647 323 HA LEU 50 HA LEU 50 4.912 4.041 -1.056 324 1HB LEU 50 2HB LEU 50 4.423 3.777 -3.562 325 2HB LEU 50 1HB LEU 50 5.839 4.785 -3.848 326 HG LEU 50 HG LEU 50 7.308 3.188 -2.892 327 1HD1 LEU 50 1HD1 LEU 50 6.016 1.006 -1.964 328 2HD1 LEU 50 2HD1 LEU 50 4.810 2.235 -1.574 329 3HD1 LEU 50 3HD1 LEU 50 6.445 2.364 -0.924 330 1HD2 LEU 50 1HD2 LEU 50 7.007 1.318 -4.307 331 2HD2 LEU 50 2HD2 LEU 50 6.136 2.610 -5.133 332 3HD2 LEU 50 3HD2 LEU 50 5.249 1.408 -4.197 333 H SER 51 H SER 51 7.510 3.863 -1.221 334 HA SER 51 HA SER 51 8.738 6.554 -1.160 335 1HB SER 51 2HB SER 51 7.883 5.905 1.173 336 2HB SER 51 1HB SER 51 9.137 4.669 1.164 337 HG SER 51 HG SER 51 10.550 6.169 1.537 338 H HIS 52 H HIS 52 9.197 3.027 -1.024 339 HA HIS 52 HA HIS 52 11.227 2.892 -2.903 340 1HB HIS 52 2HB HIS 52 13.021 3.903 -1.971 341 2HB HIS 52 1HB HIS 52 12.155 4.139 -0.458 342 HD1 HIS 52 1HD HIS 52 12.336 2.178 1.324 343 HD2 HIS 52 2HD HIS 52 14.885 1.798 -1.953 344 HE1 HIS 52 1HE HIS 52 14.040 0.410 1.943 345 H PHE 53 H PHE 53 10.777 0.796 -3.365 346 HA PHE 53 HA PHE 53 9.746 -1.191 -1.740 347 1HB PHE 53 2HB PHE 53 11.898 -1.695 -3.814 348 2HB PHE 53 1HB PHE 53 10.628 -2.799 -3.303 349 HD1 PHE 53 1HD PHE 53 11.529 -0.176 -5.584 350 HD2 PHE 53 2HD PHE 53 8.187 -2.107 -3.702 351 HE1 PHE 53 1HE PHE 53 10.017 0.742 -7.324 352 HE2 PHE 53 2HE PHE 53 6.675 -1.190 -5.440 353 HZ PHE 53 HZ PHE 53 7.592 0.233 -7.252 354 H GLY 54 H GLY 54 10.561 -2.550 -0.151 355 1HA GLY 54 2HA GLY 54 12.606 -3.752 0.719 356 2HA GLY 54 1HA GLY 54 13.458 -2.220 0.520 357 H LYS 55 H LYS 55 12.318 -4.084 2.895 358 HA LYS 55 HA LYS 55 10.586 -2.665 4.527 359 1HB LYS 55 2HB LYS 55 11.605 -3.727 6.421 360 2HB LYS 55 1HB LYS 55 11.775 -4.853 5.075 361 1HG LYS 55 2HG LYS 55 13.978 -4.888 5.583 362 2HG LYS 55 1HG LYS 55 14.046 -3.280 4.858 363 1HD LYS 55 2HD LYS 55 14.734 -2.539 6.879 364 2HD LYS 55 1HD LYS 55 13.077 -2.803 7.425 365 1HE LYS 55 2HE LYS 55 13.773 -5.232 7.870 366 2HE LYS 55 1HE LYS 55 15.436 -4.678 7.666 367 1HZ LYS 55 1HZ LYS 55 14.052 -4.603 9.978 368 2HZ LYS 55 2HZ LYS 55 13.853 -3.016 9.404 369 3HZ LYS 55 3HZ LYS 55 15.413 -3.651 9.631 370 H CYS 56 H CYS 56 10.679 -0.775 5.735 371 HA CYS 56 HA CYS 56 12.818 1.097 5.086 372 1HB CYS 56 2HB CYS 56 10.813 1.533 7.293 373 2HB CYS 56 1HB CYS 56 11.541 2.720 6.212 Start of MODEL 4 1 1H ALA 3 1HT ALA 3 11.242 5.342 -8.741 2 2H ALA 3 2HT ALA 3 10.378 6.702 -8.201 3 3H ALA 3 3HT ALA 3 11.399 6.821 -9.555 4 HA ALA 3 HA ALA 3 9.322 6.691 -10.524 5 1HB ALA 3 1HB ALA 3 10.780 4.090 -10.363 6 2HB ALA 3 2HB ALA 3 10.433 5.097 -11.767 7 3HB ALA 3 3HB ALA 3 9.170 4.076 -11.082 8 H VAL 4 H VAL 4 7.395 7.040 -9.509 9 HA VAL 4 HA VAL 4 6.371 4.862 -7.729 10 HB VAL 4 HB VAL 4 5.462 7.734 -7.579 11 1HG1 VAL 4 1HG1 VAL 4 5.605 5.525 -5.506 12 2HG1 VAL 4 2HG1 VAL 4 4.169 5.896 -6.462 13 3HG1 VAL 4 3HG1 VAL 4 4.808 7.089 -5.330 14 1HG2 VAL 4 1HG2 VAL 4 7.834 6.449 -6.188 15 2HG2 VAL 4 2HG2 VAL 4 7.120 7.990 -5.710 16 3HG2 VAL 4 3HG2 VAL 4 7.877 7.822 -7.294 17 H SER 5 H SER 5 4.586 3.863 -8.512 18 HA SER 5 HA SER 5 2.682 5.413 -10.181 19 1HB SER 5 2HB SER 5 3.957 4.424 -11.914 20 2HB SER 5 1HB SER 5 4.160 2.919 -11.022 21 HG SER 5 HG SER 5 2.463 2.298 -12.091 22 H VAL 6 H VAL 6 0.775 5.132 -9.142 23 HA VAL 6 HA VAL 6 0.037 2.379 -8.284 24 HB VAL 6 HB VAL 6 0.871 3.478 -6.268 25 1HG1 VAL 6 1HG1 VAL 6 0.727 5.728 -6.192 26 2HG1 VAL 6 2HG1 VAL 6 -0.976 5.527 -5.780 27 3HG1 VAL 6 3HG1 VAL 6 -0.496 5.752 -7.462 28 1HG2 VAL 6 1HG2 VAL 6 -1.579 3.736 -5.149 29 2HG2 VAL 6 2HG2 VAL 6 -0.861 2.169 -5.521 30 3HG2 VAL 6 3HG2 VAL 6 -2.023 2.894 -6.633 31 H ASP 7 H ASP 7 -1.343 2.477 -10.194 32 HA ASP 7 HA ASP 7 -3.540 4.471 -10.105 33 1HB ASP 7 2HB ASP 7 -4.184 3.367 -12.303 34 2HB ASP 7 1HB ASP 7 -2.605 4.154 -12.302 35 H CYS 8 H CYS 8 -4.654 3.618 -8.243 36 HA CYS 8 HA CYS 8 -6.141 1.099 -8.849 37 1HB CYS 8 2HB CYS 8 -4.862 1.892 -6.218 38 2HB CYS 8 1HB CYS 8 -6.026 0.578 -6.386 39 H SER 9 H SER 9 -7.361 3.411 -9.487 40 HA SER 9 HA SER 9 -8.825 4.520 -7.208 41 1HB SER 9 2HB SER 9 -10.021 5.837 -8.916 42 2HB SER 9 1HB SER 9 -8.280 5.925 -9.160 43 HG SER 9 HG SER 9 -9.200 5.470 -11.125 44 H GLU 10 H GLU 10 -9.056 1.583 -7.991 45 HA GLU 10 HA GLU 10 -11.906 1.359 -7.513 46 1HB GLU 10 2HB GLU 10 -10.828 1.101 -10.239 47 2HB GLU 10 1HB GLU 10 -11.746 -0.311 -9.712 48 1HG GLU 10 2HG GLU 10 -12.716 2.559 -9.613 49 2HG GLU 10 1HG GLU 10 -13.227 1.343 -10.784 50 H TYR 11 H TYR 11 -9.216 0.547 -6.435 51 HA TYR 11 HA TYR 11 -9.707 -2.411 -6.410 52 1HB TYR 11 2HB TYR 11 -7.332 -0.941 -7.090 53 2HB TYR 11 1HB TYR 11 -7.028 -1.890 -5.634 54 HD1 TYR 11 1HD TYR 11 -6.747 -4.236 -5.743 55 HD2 TYR 11 2HD TYR 11 -8.352 -2.116 -9.117 56 HE1 TYR 11 1HE TYR 11 -6.581 -6.295 -7.115 57 HE2 TYR 11 2HE TYR 11 -8.186 -4.176 -10.490 58 HH TYR 11 HH TYR 11 -7.146 -7.256 -9.059 59 HA PRO 12 HA PRO 12 -9.931 -0.697 -2.082 60 1HB PRO 12 2HB PRO 12 -12.515 -1.494 -1.599 61 2HB PRO 12 1HB PRO 12 -12.095 0.093 -2.271 62 1HG PRO 12 2HG PRO 12 -13.236 -2.295 -3.658 63 2HG PRO 12 1HG PRO 12 -13.419 -0.578 -4.049 64 1HD PRO 12 2HD PRO 12 -11.698 -2.376 -5.371 65 2HD PRO 12 1HD PRO 12 -11.615 -0.603 -5.460 66 H LYS 13 H LYS 13 -8.642 -2.316 -1.146 67 HA LYS 13 HA LYS 13 -9.964 -4.700 -0.149 68 1HB LYS 13 2HB LYS 13 -8.797 -4.892 -2.714 69 2HB LYS 13 1HB LYS 13 -7.674 -5.689 -1.612 70 1HG LYS 13 2HG LYS 13 -10.025 -6.668 -0.676 71 2HG LYS 13 1HG LYS 13 -10.435 -6.455 -2.379 72 1HD LYS 13 2HD LYS 13 -8.843 -7.984 -3.099 73 2HD LYS 13 1HD LYS 13 -7.823 -7.746 -1.679 74 1HE LYS 13 2HE LYS 13 -8.726 -9.671 -0.905 75 2HE LYS 13 1HE LYS 13 -10.176 -8.717 -0.591 76 1HZ LYS 13 1HZ LYS 13 -10.343 -10.827 -2.037 77 2HZ LYS 13 2HZ LYS 13 -9.702 -9.847 -3.269 78 3HZ LYS 13 3HZ LYS 13 -11.171 -9.430 -2.524 79 H CYS 14 H CYS 14 -9.190 -4.037 1.870 80 HA CYS 14 HA CYS 14 -6.298 -3.543 2.201 81 1HB CYS 14 2HB CYS 14 -8.650 -3.397 4.103 82 2HB CYS 14 1HB CYS 14 -6.981 -3.097 4.595 83 H ALA 15 H ALA 15 -7.192 -6.238 1.465 84 HA ALA 15 HA ALA 15 -5.901 -7.680 3.704 85 1HB ALA 15 1HB ALA 15 -7.758 -9.493 3.371 86 2HB ALA 15 2HB ALA 15 -8.710 -8.153 2.732 87 3HB ALA 15 3HB ALA 15 -8.107 -8.095 4.388 88 H CYS 16 H CYS 16 -4.298 -7.542 1.805 89 HA CYS 16 HA CYS 16 -4.851 -9.768 -0.120 90 1HB CYS 16 2HB CYS 16 -2.886 -7.517 -0.563 91 2HB CYS 16 1HB CYS 16 -3.512 -8.660 -1.749 92 H THR 17 H THR 17 -3.121 -11.210 -0.557 93 HA THR 17 HA THR 17 -0.560 -10.942 0.823 94 HB THR 17 HB THR 17 -2.134 -13.374 1.614 95 HG1 THR 17 1HG THR 17 -2.870 -12.243 3.421 96 1HG2 THR 17 1HG2 THR 17 -0.458 -12.153 3.620 97 2HG2 THR 17 2HG2 THR 17 0.441 -12.325 2.113 98 3HG2 THR 17 3HG2 THR 17 -0.301 -13.738 2.864 99 H MET 18 H MET 18 -1.714 -11.414 -1.897 100 HA MET 18 HA MET 18 -1.002 -14.178 -2.553 101 1HB MET 18 2HB MET 18 -1.370 -12.030 -4.616 102 2HB MET 18 1HB MET 18 -1.830 -13.731 -4.685 103 1HG MET 18 2HG MET 18 -3.371 -12.998 -2.622 104 2HG MET 18 1HG MET 18 -3.254 -11.432 -3.425 105 1HE MET 18 1HE MET 18 -4.866 -14.420 -2.882 106 2HE MET 18 2HE MET 18 -4.248 -15.364 -4.235 107 3HE MET 18 3HE MET 18 -5.921 -14.813 -4.246 108 H GLU 19 H GLU 19 0.173 -11.153 -4.035 109 HA GLU 19 HA GLU 19 2.743 -12.446 -4.599 110 1HB GLU 19 2HB GLU 19 3.274 -10.479 -5.854 111 2HB GLU 19 1HB GLU 19 1.571 -10.810 -6.159 112 1HG GLU 19 2HG GLU 19 1.864 -9.140 -3.805 113 2HG GLU 19 1HG GLU 19 2.678 -8.409 -5.188 114 H TYR 20 H TYR 20 4.786 -11.677 -3.799 115 HA TYR 20 HA TYR 20 4.570 -10.457 -1.093 116 1HB TYR 20 2HB TYR 20 5.910 -12.668 -1.785 117 2HB TYR 20 1HB TYR 20 7.154 -11.478 -2.166 118 HD1 TYR 20 1HD TYR 20 8.579 -10.755 -0.472 119 HD2 TYR 20 2HD TYR 20 4.705 -12.303 0.554 120 HE1 TYR 20 1HE TYR 20 9.132 -10.543 1.936 121 HE2 TYR 20 2HE TYR 20 5.257 -12.092 2.962 122 HH TYR 20 HH TYR 20 6.717 -11.105 4.431 123 H ARG 21 H ARG 21 4.794 -8.289 -1.140 124 HA ARG 21 HA ARG 21 7.116 -7.105 -2.509 125 1HB ARG 21 2HB ARG 21 5.099 -7.132 -4.108 126 2HB ARG 21 1HB ARG 21 4.372 -5.953 -3.018 127 1HG ARG 21 2HG ARG 21 5.565 -4.833 -4.867 128 2HG ARG 21 1HG ARG 21 6.310 -4.467 -3.310 129 1HD ARG 21 2HD ARG 21 7.876 -5.136 -5.263 130 2HD ARG 21 1HD ARG 21 8.128 -5.921 -3.704 131 HE ARG 21 HE ARG 21 6.718 -7.830 -4.676 132 1HH1 ARG 21 1HH1 ARG 21 6.887 -5.706 -7.156 133 2HH1 ARG 21 2HH1 ARG 21 7.756 -6.723 -8.257 134 1HH2 ARG 21 1HH2 ARG 21 8.535 -9.104 -5.861 135 2HH2 ARG 21 2HH2 ARG 21 8.686 -8.646 -7.524 136 HA PRO 22 HA PRO 22 6.352 -5.110 1.503 137 1HB PRO 22 2HB PRO 22 9.030 -4.745 2.029 138 2HB PRO 22 1HB PRO 22 8.149 -6.233 2.416 139 1HG PRO 22 2HG PRO 22 10.090 -5.721 0.206 140 2HG PRO 22 1HG PRO 22 9.699 -7.242 1.027 141 1HD PRO 22 2HD PRO 22 8.757 -6.460 -1.516 142 2HD PRO 22 1HD PRO 22 8.094 -7.777 -0.523 143 H LEU 23 H LEU 23 5.574 -3.092 0.854 144 HA LEU 23 HA LEU 23 7.469 -1.267 -0.549 145 1HB LEU 23 2HB LEU 23 4.456 -1.270 -0.266 146 2HB LEU 23 1HB LEU 23 5.350 0.096 -0.934 147 HG LEU 23 HG LEU 23 5.670 -2.715 -1.998 148 1HD1 LEU 23 1HD1 LEU 23 4.205 -1.402 -3.891 149 2HD1 LEU 23 2HD1 LEU 23 3.505 -0.742 -2.413 150 3HD1 LEU 23 3HD1 LEU 23 3.508 -2.484 -2.686 151 1HD2 LEU 23 1HD2 LEU 23 6.007 -0.373 -3.745 152 2HD2 LEU 23 2HD2 LEU 23 7.071 -1.762 -3.511 153 3HD2 LEU 23 3HD2 LEU 23 7.132 -0.404 -2.387 154 H CYS 24 H CYS 24 8.178 0.575 0.447 155 HA CYS 24 HA CYS 24 7.304 1.018 3.254 156 1HB CYS 24 2HB CYS 24 9.718 0.859 2.918 157 2HB CYS 24 1HB CYS 24 9.656 2.103 1.669 158 H GLY 25 H GLY 25 5.227 1.924 2.466 159 1HA GLY 25 2HA GLY 25 4.796 4.031 0.734 160 2HA GLY 25 1HA GLY 25 3.894 3.855 2.238 161 H SER 26 H SER 26 4.868 6.319 0.878 162 HA SER 26 HA SER 26 7.095 7.519 2.068 163 1HB SER 26 2HB SER 26 5.225 8.415 0.375 164 2HB SER 26 1HB SER 26 4.620 9.167 1.849 165 HG SER 26 HG SER 26 6.073 10.603 1.174 166 H ASP 27 H ASP 27 4.146 6.553 3.571 167 HA ASP 27 HA ASP 27 4.519 8.315 5.901 168 1HB ASP 27 2HB ASP 27 2.480 7.297 6.747 169 2HB ASP 27 1HB ASP 27 2.244 7.711 5.052 170 H ASN 28 H ASN 28 6.530 6.236 5.113 171 HA ASN 28 HA ASN 28 7.883 4.630 6.149 172 1HB ASN 28 2HB ASN 28 7.656 6.625 7.879 173 2HB ASN 28 1HB ASN 28 6.753 5.425 8.806 174 1HD2 ASN 28 1HD2 ASN 28 8.465 5.215 10.418 175 2HD2 ASN 28 2HD2 ASN 28 9.931 4.440 10.054 176 H LYS 29 H LYS 29 5.298 3.703 5.282 177 HA LYS 29 HA LYS 29 4.638 1.769 7.469 178 1HB LYS 29 2HB LYS 29 3.009 3.187 5.471 179 2HB LYS 29 1HB LYS 29 2.630 1.473 5.627 180 1HG LYS 29 2HG LYS 29 3.022 2.958 8.169 181 2HG LYS 29 1HG LYS 29 1.571 3.361 7.250 182 1HD LYS 29 2HD LYS 29 1.037 0.916 7.122 183 2HD LYS 29 1HD LYS 29 2.413 0.602 8.180 184 1HE LYS 29 2HE LYS 29 0.990 0.905 9.910 185 2HE LYS 29 1HE LYS 29 1.016 2.620 9.497 186 1HZ LYS 29 1HZ LYS 29 -1.232 1.459 9.606 187 2HZ LYS 29 2HZ LYS 29 -0.803 0.737 8.129 188 3HZ LYS 29 3HZ LYS 29 -0.919 2.429 8.251 189 H THR 30 H THR 30 4.696 -0.431 7.049 190 HA THR 30 HA THR 30 5.981 -1.212 4.471 191 HB THR 30 HB THR 30 5.766 -2.795 7.052 192 HG1 THR 30 1HG THR 30 7.438 -0.788 6.257 193 1HG2 THR 30 1HG2 THR 30 7.522 -4.181 6.019 194 2HG2 THR 30 2HG2 THR 30 7.468 -3.174 4.571 195 3HG2 THR 30 3HG2 THR 30 6.070 -4.152 5.017 196 H TYR 31 H TYR 31 4.441 -1.855 3.020 197 HA TYR 31 HA TYR 31 2.000 -3.196 4.017 198 1HB TYR 31 2HB TYR 31 2.801 -2.037 1.341 199 2HB TYR 31 1HB TYR 31 1.310 -2.940 1.587 200 HD1 TYR 31 1HD TYR 31 2.324 0.242 1.202 201 HD2 TYR 31 2HD TYR 31 0.316 -2.150 4.149 202 HE1 TYR 31 1HE TYR 31 1.248 2.279 2.120 203 HE2 TYR 31 2HE TYR 31 -0.764 -0.115 5.066 204 HH TYR 31 HH TYR 31 0.237 3.040 4.201 205 H GLY 32 H GLY 32 1.361 -5.259 3.212 206 1HA GLY 32 2HA GLY 32 3.514 -7.125 2.804 207 2HA GLY 32 1HA GLY 32 1.796 -7.498 2.655 208 H ASN 33 H ASN 33 1.477 -5.275 0.634 209 HA ASN 33 HA ASN 33 3.172 -5.868 -1.609 210 1HB ASN 33 2HB ASN 33 1.394 -7.041 -2.975 211 2HB ASN 33 1HB ASN 33 2.075 -8.010 -1.668 212 1HD2 ASN 33 1HD2 ASN 33 0.095 -9.297 -1.473 213 2HD2 ASN 33 2HD2 ASN 33 -1.316 -8.641 -0.796 214 H LYS 34 H LYS 34 2.194 -4.906 -3.654 215 HA LYS 34 HA LYS 34 1.298 -2.262 -3.167 216 1HB LYS 34 2HB LYS 34 2.430 -3.164 -5.271 217 2HB LYS 34 1HB LYS 34 0.847 -3.783 -5.743 218 1HG LYS 34 2HG LYS 34 0.434 -1.747 -6.624 219 2HG LYS 34 1HG LYS 34 0.351 -1.145 -4.969 220 1HD LYS 34 2HD LYS 34 3.071 -1.266 -5.410 221 2HD LYS 34 1HD LYS 34 2.453 -0.773 -6.988 222 1HE LYS 34 2HE LYS 34 1.048 0.960 -5.714 223 2HE LYS 34 1HE LYS 34 2.077 0.605 -4.327 224 1HZ LYS 34 1HZ LYS 34 2.871 1.711 -6.954 225 2HZ LYS 34 2HZ LYS 34 4.001 1.047 -5.873 226 3HZ LYS 34 3HZ LYS 34 3.080 2.400 -5.418 227 H CYS 35 H CYS 35 -0.466 -5.204 -3.147 228 HA CYS 35 HA CYS 35 -3.011 -4.137 -4.010 229 1HB CYS 35 2HB CYS 35 -2.474 -6.585 -3.901 230 2HB CYS 35 1HB CYS 35 -2.480 -6.465 -2.142 231 H ASN 36 H ASN 36 -1.308 -4.391 -0.934 232 HA ASN 36 HA ASN 36 -3.539 -3.310 0.611 233 1HB ASN 36 2HB ASN 36 -1.220 -4.695 1.240 234 2HB ASN 36 1HB ASN 36 -0.853 -3.054 1.770 235 1HD2 ASN 36 1HD2 ASN 36 -3.475 -5.514 2.008 236 2HD2 ASN 36 2HD2 ASN 36 -3.968 -5.056 3.566 237 H PHE 37 H PHE 37 -0.776 -2.145 -1.151 238 HA PHE 37 HA PHE 37 -0.722 0.518 -0.018 239 1HB PHE 37 2HB PHE 37 1.165 -0.580 -1.312 240 2HB PHE 37 1HB PHE 37 0.208 -0.346 -2.775 241 HD1 PHE 37 1HD PHE 37 -0.540 2.028 -3.367 242 HD2 PHE 37 2HD PHE 37 2.455 1.191 -0.404 243 HE1 PHE 37 1HE PHE 37 0.267 4.369 -3.520 244 HE2 PHE 37 2HE PHE 37 3.261 3.532 -0.556 245 HZ PHE 37 HZ PHE 37 2.168 5.120 -2.114 246 H CYS 38 H CYS 38 -2.494 -1.088 -2.574 247 HA CYS 38 HA CYS 38 -3.605 1.399 -3.648 248 1HB CYS 38 2HB CYS 38 -4.199 -1.535 -4.111 249 2HB CYS 38 1HB CYS 38 -5.138 -0.249 -4.872 250 H CYS 39 H CYS 39 -4.308 -0.823 -1.097 251 HA CYS 39 HA CYS 39 -7.134 -0.168 -0.883 252 1HB CYS 39 2HB CYS 39 -7.091 -1.985 0.455 253 2HB CYS 39 1HB CYS 39 -5.346 -2.062 0.276 254 H ALA 40 H ALA 40 -4.200 0.756 0.895 255 HA ALA 40 HA ALA 40 -5.494 2.660 2.605 256 1HB ALA 40 1HB ALA 40 -3.189 1.751 2.984 257 2HB ALA 40 2HB ALA 40 -3.248 3.513 3.044 258 3HB ALA 40 3HB ALA 40 -2.628 2.698 1.607 259 H VAL 41 H VAL 41 -4.392 2.739 -0.688 260 HA VAL 41 HA VAL 41 -4.442 5.643 -0.941 261 HB VAL 41 HB VAL 41 -4.407 3.391 -2.966 262 1HG1 VAL 41 1HG1 VAL 41 -3.591 5.873 -4.101 263 2HG1 VAL 41 2HG1 VAL 41 -5.150 6.141 -3.322 264 3HG1 VAL 41 3HG1 VAL 41 -4.984 4.885 -4.548 265 1HG2 VAL 41 1HG2 VAL 41 -2.106 3.822 -3.143 266 2HG2 VAL 41 2HG2 VAL 41 -2.393 4.045 -1.416 267 3HG2 VAL 41 3HG2 VAL 41 -2.263 5.448 -2.477 268 H VAL 42 H VAL 42 -6.726 3.007 -1.395 269 HA VAL 42 HA VAL 42 -8.713 4.638 -2.757 270 HB VAL 42 HB VAL 42 -8.916 1.965 -1.337 271 1HG1 VAL 42 1HG1 VAL 42 -10.943 3.658 -2.781 272 2HG1 VAL 42 2HG1 VAL 42 -11.126 2.745 -1.282 273 3HG1 VAL 42 3HG1 VAL 42 -11.069 1.900 -2.828 274 1HG2 VAL 42 1HG2 VAL 42 -9.355 2.112 -4.227 275 2HG2 VAL 42 2HG2 VAL 42 -8.291 1.046 -3.309 276 3HG2 VAL 42 3HG2 VAL 42 -7.746 2.662 -3.761 277 H GLU 43 H GLU 43 -7.706 4.297 0.501 278 HA GLU 43 HA GLU 43 -10.303 5.350 1.514 279 1HB GLU 43 2HB GLU 43 -8.400 5.054 3.627 280 2HB GLU 43 1HB GLU 43 -9.866 4.119 3.345 281 1HG GLU 43 2HG GLU 43 -8.594 2.651 1.784 282 2HG GLU 43 1HG GLU 43 -7.127 3.551 2.172 283 H SER 44 H SER 44 -7.063 6.301 0.773 284 HA SER 44 HA SER 44 -7.335 8.810 2.342 285 1HB SER 44 2HB SER 44 -4.967 8.208 0.605 286 2HB SER 44 1HB SER 44 -5.032 9.063 2.143 287 HG SER 44 HG SER 44 -4.785 7.228 3.138 288 H ASN 45 H ASN 45 -8.113 7.656 -0.706 289 HA ASN 45 HA ASN 45 -8.896 8.797 -2.608 290 1HB ASN 45 2HB ASN 45 -9.655 10.467 -0.776 291 2HB ASN 45 1HB ASN 45 -8.228 11.399 -1.230 292 1HD2 ASN 45 1HD2 ASN 45 -11.502 10.905 -1.999 293 2HD2 ASN 45 2HD2 ASN 45 -11.503 11.626 -3.535 294 H GLY 46 H GLY 46 -5.923 8.331 -1.811 295 1HA GLY 46 2HA GLY 46 -4.087 8.412 -3.382 296 2HA GLY 46 1HA GLY 46 -4.841 9.813 -4.147 297 H THR 47 H THR 47 -4.728 9.772 -0.692 298 HA THR 47 HA THR 47 -2.899 12.079 -0.746 299 HB THR 47 HB THR 47 -4.587 10.772 1.396 300 HG1 THR 47 1HG THR 47 -5.804 12.147 0.299 301 1HG2 THR 47 1HG2 THR 47 -2.662 11.425 2.609 302 2HG2 THR 47 2HG2 THR 47 -3.784 12.772 2.795 303 3HG2 THR 47 3HG2 THR 47 -2.452 12.887 1.645 304 H LEU 48 H LEU 48 -2.425 8.842 -0.794 305 HA LEU 48 HA LEU 48 -0.150 8.927 1.134 306 1HB LEU 48 2HB LEU 48 -2.095 7.034 0.912 307 2HB LEU 48 1HB LEU 48 -0.864 6.356 -0.154 308 HG LEU 48 HG LEU 48 0.813 6.737 1.711 309 1HD1 LEU 48 1HD1 LEU 48 -0.257 6.899 4.008 310 2HD1 LEU 48 2HD1 LEU 48 -1.761 7.332 3.193 311 3HD1 LEU 48 3HD1 LEU 48 -0.343 8.371 3.042 312 1HD2 LEU 48 1HD2 LEU 48 -0.291 4.833 3.157 313 2HD2 LEU 48 2HD2 LEU 48 0.181 4.497 1.491 314 3HD2 LEU 48 3HD2 LEU 48 -1.507 4.832 1.879 315 H THR 49 H THR 49 1.839 7.711 0.366 316 HA THR 49 HA THR 49 2.211 7.640 -2.564 317 HB THR 49 HB THR 49 4.335 9.062 -2.235 318 HG1 THR 49 1HG THR 49 3.681 10.639 -0.429 319 1HG2 THR 49 1HG2 THR 49 2.515 9.949 -3.505 320 2HG2 THR 49 2HG2 THR 49 2.973 11.197 -2.348 321 3HG2 THR 49 3HG2 THR 49 1.547 10.204 -2.055 322 H LEU 50 H LEU 50 5.031 7.437 -2.491 323 HA LEU 50 HA LEU 50 5.471 5.050 -0.749 324 1HB LEU 50 2HB LEU 50 5.109 4.545 -3.220 325 2HB LEU 50 1HB LEU 50 6.600 5.429 -3.535 326 HG LEU 50 HG LEU 50 7.794 3.891 -1.972 327 1HD1 LEU 50 1HD1 LEU 50 5.937 1.731 -1.960 328 2HD1 LEU 50 2HD1 LEU 50 5.092 3.152 -1.346 329 3HD1 LEU 50 3HD1 LEU 50 6.582 2.610 -0.572 330 1HD2 LEU 50 1HD2 LEU 50 6.802 3.362 -4.589 331 2HD2 LEU 50 2HD2 LEU 50 6.740 1.846 -3.690 332 3HD2 LEU 50 3HD2 LEU 50 8.264 2.721 -3.838 333 H SER 51 H SER 51 7.862 4.696 -0.301 334 HA SER 51 HA SER 51 9.491 7.157 -0.675 335 1HB SER 51 2HB SER 51 8.367 6.198 1.854 336 2HB SER 51 1HB SER 51 10.112 6.430 1.915 337 HG SER 51 HG SER 51 8.355 8.348 0.798 338 H HIS 52 H HIS 52 9.363 3.707 0.100 339 HA HIS 52 HA HIS 52 12.107 3.458 -0.937 340 1HB HIS 52 2HB HIS 52 12.783 3.762 1.282 341 2HB HIS 52 1HB HIS 52 11.343 2.981 1.931 342 HD1 HIS 52 1HD HIS 52 11.743 0.689 2.782 343 HD2 HIS 52 2HD HIS 52 14.442 1.670 -0.239 344 HE1 HIS 52 1HE HIS 52 13.273 -1.306 2.517 345 H PHE 53 H PHE 53 11.115 2.206 -2.590 346 HA PHE 53 HA PHE 53 9.290 0.120 -2.392 347 1HB PHE 53 2HB PHE 53 11.269 0.963 -4.279 348 2HB PHE 53 1HB PHE 53 11.404 -0.785 -4.098 349 HD1 PHE 53 1HD PHE 53 9.288 1.985 -5.228 350 HD2 PHE 53 2HD PHE 53 9.474 -2.255 -4.565 351 HE1 PHE 53 1HE PHE 53 7.248 1.679 -6.606 352 HE2 PHE 53 2HE PHE 53 7.434 -2.560 -5.943 353 HZ PHE 53 HZ PHE 53 6.322 -0.593 -6.963 354 H GLY 54 H GLY 54 9.480 -1.099 -0.469 355 1HA GLY 54 2HA GLY 54 10.685 -3.489 -0.283 356 2HA GLY 54 1HA GLY 54 12.053 -2.444 0.104 357 H LYS 55 H LYS 55 11.253 -4.192 2.046 358 HA LYS 55 HA LYS 55 9.233 -3.228 3.826 359 1HB LYS 55 2HB LYS 55 10.348 -4.635 5.524 360 2HB LYS 55 1HB LYS 55 10.189 -5.498 3.993 361 1HG LYS 55 2HG LYS 55 12.492 -5.067 3.424 362 2HG LYS 55 1HG LYS 55 12.681 -3.976 4.798 363 1HD LYS 55 2HD LYS 55 12.334 -5.825 6.358 364 2HD LYS 55 1HD LYS 55 12.041 -6.932 5.017 365 1HE LYS 55 2HE LYS 55 14.613 -5.365 5.233 366 2HE LYS 55 1HE LYS 55 14.411 -6.923 6.035 367 1HZ LYS 55 1HZ LYS 55 13.490 -7.111 3.384 368 2HZ LYS 55 2HZ LYS 55 14.772 -7.945 4.123 369 3HZ LYS 55 3HZ LYS 55 15.051 -6.446 3.370 370 H CYS 56 H CYS 56 9.294 -1.648 5.389 371 HA CYS 56 HA CYS 56 11.798 -0.041 5.552 372 1HB CYS 56 2HB CYS 56 9.030 0.638 5.370 373 2HB CYS 56 1HB CYS 56 9.617 1.189 6.939 Start of MODEL 5 1 1H ALA 3 1HT ALA 3 4.840 10.123 -6.353 2 2H ALA 3 2HT ALA 3 6.090 8.974 -6.410 3 3H ALA 3 3HT ALA 3 4.582 8.630 -7.115 4 HA ALA 3 HA ALA 3 5.094 10.755 -8.515 5 1HB ALA 3 1HB ALA 3 7.379 11.218 -8.823 6 2HB ALA 3 2HB ALA 3 7.881 9.684 -8.113 7 3HB ALA 3 3HB ALA 3 7.264 10.973 -7.080 8 H VAL 4 H VAL 4 6.514 7.523 -8.042 9 HA VAL 4 HA VAL 4 6.861 6.861 -10.781 10 HB VAL 4 HB VAL 4 7.779 5.452 -9.019 11 1HG1 VAL 4 1HG1 VAL 4 6.172 4.002 -7.702 12 2HG1 VAL 4 2HG1 VAL 4 4.866 5.016 -8.313 13 3HG1 VAL 4 3HG1 VAL 4 6.122 5.716 -7.292 14 1HG2 VAL 4 1HG2 VAL 4 7.269 3.331 -9.964 15 2HG2 VAL 4 2HG2 VAL 4 6.985 4.481 -11.272 16 3HG2 VAL 4 3HG2 VAL 4 5.623 3.819 -10.368 17 H SER 5 H SER 5 5.468 5.371 -12.077 18 HA SER 5 HA SER 5 2.691 6.295 -11.995 19 1HB SER 5 2HB SER 5 4.023 4.274 -13.823 20 2HB SER 5 1HB SER 5 2.431 4.986 -14.062 21 HG SER 5 HG SER 5 4.698 5.930 -14.902 22 H VAL 6 H VAL 6 0.991 5.184 -11.145 23 HA VAL 6 HA VAL 6 1.352 2.288 -10.541 24 HB VAL 6 HB VAL 6 1.794 3.684 -8.490 25 1HG1 VAL 6 1HG1 VAL 6 0.422 5.399 -8.007 26 2HG1 VAL 6 2HG1 VAL 6 -0.938 4.286 -7.873 27 3HG1 VAL 6 3HG1 VAL 6 -0.546 5.014 -9.430 28 1HG2 VAL 6 1HG2 VAL 6 -0.779 2.122 -8.219 29 2HG2 VAL 6 2HG2 VAL 6 0.539 2.260 -7.057 30 3HG2 VAL 6 3HG2 VAL 6 0.761 1.323 -8.535 31 H ASP 7 H ASP 7 -0.691 1.132 -10.401 32 HA ASP 7 HA ASP 7 -2.895 2.577 -11.808 33 1HB ASP 7 2HB ASP 7 -3.667 0.230 -12.389 34 2HB ASP 7 1HB ASP 7 -2.130 0.707 -13.112 35 H CYS 8 H CYS 8 -4.005 3.403 -10.008 36 HA CYS 8 HA CYS 8 -5.317 1.333 -8.311 37 1HB CYS 8 2HB CYS 8 -3.352 2.725 -7.216 38 2HB CYS 8 1HB CYS 8 -4.586 3.981 -7.108 39 H SER 9 H SER 9 -6.084 3.031 -10.686 40 HA SER 9 HA SER 9 -7.871 5.104 -9.897 41 1HB SER 9 2HB SER 9 -7.229 4.918 -12.218 42 2HB SER 9 1HB SER 9 -7.853 3.274 -12.315 43 HG SER 9 HG SER 9 -9.387 4.651 -13.161 44 H GLU 10 H GLU 10 -8.997 4.253 -8.062 45 HA GLU 10 HA GLU 10 -10.840 3.247 -7.015 46 1HB GLU 10 2HB GLU 10 -11.886 2.536 -9.753 47 2HB GLU 10 1HB GLU 10 -12.795 2.963 -8.303 48 1HG GLU 10 2HG GLU 10 -10.936 4.907 -9.689 49 2HG GLU 10 1HG GLU 10 -12.651 4.780 -10.089 50 H TYR 11 H TYR 11 -8.587 1.661 -7.208 51 HA TYR 11 HA TYR 11 -9.800 -1.024 -7.701 52 1HB TYR 11 2HB TYR 11 -8.180 -0.420 -9.503 53 2HB TYR 11 1HB TYR 11 -6.927 -0.240 -8.276 54 HD1 TYR 11 1HD TYR 11 -5.468 -2.014 -8.975 55 HD2 TYR 11 2HD TYR 11 -9.623 -2.797 -8.207 56 HE1 TYR 11 1HE TYR 11 -5.027 -4.453 -9.061 57 HE2 TYR 11 2HE TYR 11 -9.179 -5.233 -8.292 58 HH TYR 11 HH TYR 11 -6.331 -6.597 -7.948 59 HA PRO 12 HA PRO 12 -7.806 -0.584 -3.480 60 1HB PRO 12 2HB PRO 12 -10.115 -0.599 -1.993 61 2HB PRO 12 1HB PRO 12 -9.336 0.886 -2.569 62 1HG PRO 12 2HG PRO 12 -11.804 -0.454 -3.577 63 2HG PRO 12 1HG PRO 12 -11.351 1.257 -3.642 64 1HD PRO 12 2HD PRO 12 -11.178 -0.577 -5.788 65 2HD PRO 12 1HD PRO 12 -10.412 1.024 -5.712 66 H LYS 13 H LYS 13 -7.801 -2.334 -1.862 67 HA LYS 13 HA LYS 13 -9.601 -4.597 -2.141 68 1HB LYS 13 2HB LYS 13 -6.915 -4.629 -3.455 69 2HB LYS 13 1HB LYS 13 -7.478 -6.106 -2.671 70 1HG LYS 13 2HG LYS 13 -9.704 -5.173 -4.081 71 2HG LYS 13 1HG LYS 13 -8.347 -4.911 -5.176 72 1HD LYS 13 2HD LYS 13 -8.299 -7.509 -3.776 73 2HD LYS 13 1HD LYS 13 -9.656 -7.303 -4.883 74 1HE LYS 13 2HE LYS 13 -8.240 -6.951 -6.743 75 2HE LYS 13 1HE LYS 13 -6.841 -6.616 -5.723 76 1HZ LYS 13 1HZ LYS 13 -6.548 -8.788 -6.511 77 2HZ LYS 13 2HZ LYS 13 -8.166 -9.217 -6.214 78 3HZ LYS 13 3HZ LYS 13 -7.095 -8.977 -4.917 79 H CYS 14 H CYS 14 -9.807 -4.405 0.119 80 HA CYS 14 HA CYS 14 -7.349 -4.651 1.756 81 1HB CYS 14 2HB CYS 14 -10.183 -4.456 2.789 82 2HB CYS 14 1HB CYS 14 -8.687 -4.010 3.611 83 H ALA 15 H ALA 15 -8.537 -6.844 0.056 84 HA ALA 15 HA ALA 15 -8.574 -8.901 2.200 85 1HB ALA 15 1HB ALA 15 -10.895 -8.733 1.841 86 2HB ALA 15 2HB ALA 15 -10.422 -10.051 0.770 87 3HB ALA 15 3HB ALA 15 -10.698 -8.439 0.113 88 H CYS 16 H CYS 16 -6.306 -8.738 0.997 89 HA CYS 16 HA CYS 16 -6.380 -10.451 -1.447 90 1HB CYS 16 2HB CYS 16 -4.588 -8.297 -0.481 91 2HB CYS 16 1HB CYS 16 -3.795 -9.661 -1.271 92 H THR 17 H THR 17 -4.172 -11.780 -1.525 93 HA THR 17 HA THR 17 -4.339 -13.630 0.726 94 HB THR 17 HB THR 17 -4.054 -14.359 -1.654 95 HG1 THR 17 1HG THR 17 -2.019 -15.653 -1.018 96 1HG2 THR 17 1HG2 THR 17 -1.925 -12.463 -1.538 97 2HG2 THR 17 2HG2 THR 17 -2.477 -13.402 -2.925 98 3HG2 THR 17 3HG2 THR 17 -1.225 -14.048 -1.864 99 H MET 18 H MET 18 -1.207 -14.002 0.126 100 HA MET 18 HA MET 18 -0.322 -11.800 1.930 101 1HB MET 18 2HB MET 18 0.718 -14.611 2.240 102 2HB MET 18 1HB MET 18 0.768 -13.281 3.399 103 1HG MET 18 2HG MET 18 -1.607 -13.426 3.780 104 2HG MET 18 1HG MET 18 -1.804 -14.574 2.455 105 1HE MET 18 1HE MET 18 -2.574 -17.026 5.208 106 2HE MET 18 2HE MET 18 -2.863 -16.549 3.538 107 3HE MET 18 3HE MET 18 -3.170 -15.402 4.839 108 H GLU 19 H GLU 19 0.022 -12.064 -0.951 109 HA GLU 19 HA GLU 19 2.423 -13.150 -1.851 110 1HB GLU 19 2HB GLU 19 0.754 -11.803 -3.209 111 2HB GLU 19 1HB GLU 19 1.507 -10.350 -2.552 112 1HG GLU 19 2HG GLU 19 3.713 -11.175 -3.431 113 2HG GLU 19 1HG GLU 19 2.847 -12.493 -4.223 114 H TYR 20 H TYR 20 4.619 -12.281 -1.977 115 HA TYR 20 HA TYR 20 5.229 -10.573 0.382 116 1HB TYR 20 2HB TYR 20 6.328 -12.947 -0.281 117 2HB TYR 20 1HB TYR 20 7.435 -11.848 -1.109 118 HD1 TYR 20 1HD TYR 20 6.993 -13.527 1.876 119 HD2 TYR 20 2HD TYR 20 7.886 -9.596 0.399 120 HE1 TYR 20 1HE TYR 20 8.068 -12.956 4.035 121 HE2 TYR 20 2HE TYR 20 8.962 -9.023 2.556 122 HH TYR 20 HH TYR 20 10.085 -10.359 4.457 123 H ARG 21 H ARG 21 5.203 -8.505 -0.233 124 HA ARG 21 HA ARG 21 7.236 -7.546 -2.100 125 1HB ARG 21 2HB ARG 21 4.551 -6.355 -2.602 126 2HB ARG 21 1HB ARG 21 5.891 -6.591 -3.715 127 1HG ARG 21 2HG ARG 21 4.364 -8.967 -2.666 128 2HG ARG 21 1HG ARG 21 3.732 -8.028 -4.010 129 1HD ARG 21 2HD ARG 21 5.641 -10.085 -4.157 130 2HD ARG 21 1HD ARG 21 5.167 -8.987 -5.450 131 HE ARG 21 HE ARG 21 7.480 -8.506 -3.615 132 1HH1 ARG 21 1HH1 ARG 21 6.459 -8.975 -6.790 133 2HH1 ARG 21 2HH1 ARG 21 7.405 -7.690 -7.464 134 1HH2 ARG 21 1HH2 ARG 21 8.412 -6.457 -4.386 135 2HH2 ARG 21 2HH2 ARG 21 8.512 -6.268 -6.104 136 HA PRO 22 HA PRO 22 6.670 -4.930 1.554 137 1HB PRO 22 2HB PRO 22 9.337 -4.283 1.745 138 2HB PRO 22 1HB PRO 22 8.617 -5.738 2.457 139 1HG PRO 22 2HG PRO 22 10.318 -5.485 0.019 140 2HG PRO 22 1HG PRO 22 10.122 -6.864 1.112 141 1HD PRO 22 2HD PRO 22 8.912 -6.597 -1.423 142 2HD PRO 22 1HD PRO 22 8.442 -7.764 -0.168 143 H LEU 23 H LEU 23 6.008 -2.847 1.254 144 HA LEU 23 HA LEU 23 7.464 -1.164 -0.749 145 1HB LEU 23 2HB LEU 23 4.495 -1.361 -0.182 146 2HB LEU 23 1HB LEU 23 5.206 0.005 -1.046 147 HG LEU 23 HG LEU 23 5.964 -2.720 -1.982 148 1HD1 LEU 23 1HD1 LEU 23 3.886 -2.818 -3.378 149 2HD1 LEU 23 2HD1 LEU 23 3.235 -1.477 -2.436 150 3HD1 LEU 23 3HD1 LEU 23 3.572 -3.022 -1.655 151 1HD2 LEU 23 1HD2 LEU 23 6.904 -0.865 -3.154 152 2HD2 LEU 23 2HD2 LEU 23 5.356 -0.023 -3.210 153 3HD2 LEU 23 3HD2 LEU 23 5.611 -1.467 -4.191 154 H CYS 24 H CYS 24 8.258 0.711 0.121 155 HA CYS 24 HA CYS 24 7.563 1.333 2.926 156 1HB CYS 24 2HB CYS 24 9.951 1.353 2.019 157 2HB CYS 24 1HB CYS 24 9.510 2.821 1.146 158 H GLY 25 H GLY 25 5.321 1.937 2.250 159 1HA GLY 25 2HA GLY 25 4.580 3.966 0.497 160 2HA GLY 25 1HA GLY 25 3.748 3.673 2.024 161 H SER 26 H SER 26 4.297 6.261 0.726 162 HA SER 26 HA SER 26 6.428 7.723 1.788 163 1HB SER 26 2HB SER 26 4.739 8.626 0.199 164 2HB SER 26 1HB SER 26 3.568 8.694 1.514 165 HG SER 26 HG SER 26 5.499 9.916 2.544 166 H ASP 27 H ASP 27 3.792 6.302 3.509 167 HA ASP 27 HA ASP 27 4.093 8.062 5.849 168 1HB ASP 27 2HB ASP 27 2.336 6.746 6.837 169 2HB ASP 27 1HB ASP 27 1.891 7.017 5.152 170 H ASN 28 H ASN 28 6.337 6.309 4.799 171 HA ASN 28 HA ASN 28 8.002 4.905 5.664 172 1HB ASN 28 2HB ASN 28 7.591 6.890 7.460 173 2HB ASN 28 1HB ASN 28 7.193 5.493 8.461 174 1HD2 ASN 28 1HD2 ASN 28 9.029 4.915 9.633 175 2HD2 ASN 28 2HD2 ASN 28 10.606 4.857 9.006 176 H LYS 29 H LYS 29 5.574 3.604 5.057 177 HA LYS 29 HA LYS 29 5.422 1.619 7.289 178 1HB LYS 29 2HB LYS 29 3.326 3.003 6.749 179 2HB LYS 29 1HB LYS 29 3.243 2.071 5.253 180 1HG LYS 29 2HG LYS 29 2.317 0.347 6.354 181 2HG LYS 29 1HG LYS 29 3.713 0.268 7.428 182 1HD LYS 29 2HD LYS 29 2.227 2.528 8.242 183 2HD LYS 29 1HD LYS 29 1.058 1.228 8.001 184 1HE LYS 29 2HE LYS 29 3.074 -0.106 9.280 185 2HE LYS 29 1HE LYS 29 3.194 1.488 10.026 186 1HZ LYS 29 1HZ LYS 29 0.813 1.380 10.500 187 2HZ LYS 29 2HZ LYS 29 1.656 0.104 11.238 188 3HZ LYS 29 3HZ LYS 29 0.742 -0.178 9.833 189 H THR 30 H THR 30 5.126 -0.619 6.643 190 HA THR 30 HA THR 30 6.271 -1.169 3.936 191 HB THR 30 HB THR 30 6.361 -2.848 6.463 192 HG1 THR 30 1HG THR 30 8.456 -2.227 6.553 193 1HG2 THR 30 1HG2 THR 30 8.136 -3.503 4.215 194 2HG2 THR 30 2HG2 THR 30 6.424 -3.741 3.860 195 3HG2 THR 30 3HG2 THR 30 7.165 -4.569 5.229 196 H TYR 31 H TYR 31 4.656 -1.784 2.570 197 HA TYR 31 HA TYR 31 2.267 -3.149 3.636 198 1HB TYR 31 2HB TYR 31 2.991 -2.062 0.905 199 2HB TYR 31 1HB TYR 31 1.465 -2.859 1.272 200 HD1 TYR 31 1HD TYR 31 3.400 0.195 1.561 201 HD2 TYR 31 2HD TYR 31 -0.064 -1.881 3.024 202 HE1 TYR 31 1HE TYR 31 2.514 2.321 2.478 203 HE2 TYR 31 2HE TYR 31 -0.951 0.246 3.941 204 HH TYR 31 HH TYR 31 0.971 3.205 3.897 205 H GLY 32 H GLY 32 1.531 -5.171 2.705 206 1HA GLY 32 2HA GLY 32 3.724 -7.033 2.209 207 2HA GLY 32 1HA GLY 32 2.012 -7.448 2.287 208 H ASN 33 H ASN 33 1.465 -5.216 0.274 209 HA ASN 33 HA ASN 33 2.844 -5.838 -2.155 210 1HB ASN 33 2HB ASN 33 0.810 -7.019 -3.232 211 2HB ASN 33 1HB ASN 33 1.853 -7.983 -2.185 212 1HD2 ASN 33 1HD2 ASN 33 0.778 -9.120 -0.568 213 2HD2 ASN 33 2HD2 ASN 33 -0.762 -8.737 0.033 214 H LYS 34 H LYS 34 1.684 -4.865 -4.058 215 HA LYS 34 HA LYS 34 0.723 -2.267 -3.435 216 1HB LYS 34 2HB LYS 34 0.277 -2.024 -5.795 217 2HB LYS 34 1HB LYS 34 1.744 -2.988 -5.629 218 1HG LYS 34 2HG LYS 34 -0.143 -4.950 -5.590 219 2HG LYS 34 1HG LYS 34 -0.922 -3.772 -6.648 220 1HD LYS 34 2HD LYS 34 1.496 -3.669 -7.745 221 2HD LYS 34 1HD LYS 34 1.629 -5.284 -7.051 222 1HE LYS 34 2HE LYS 34 -0.120 -6.132 -8.351 223 2HE LYS 34 1HE LYS 34 -0.821 -4.537 -8.623 224 1HZ LYS 34 1HZ LYS 34 1.139 -5.921 -10.148 225 2HZ LYS 34 2HZ LYS 34 1.717 -4.400 -9.660 226 3HZ LYS 34 3HZ LYS 34 0.268 -4.519 -10.539 227 H CYS 35 H CYS 35 -0.918 -5.268 -3.360 228 HA CYS 35 HA CYS 35 -3.568 -4.203 -3.958 229 1HB CYS 35 2HB CYS 35 -3.238 -6.574 -4.257 230 2HB CYS 35 1HB CYS 35 -2.616 -6.751 -2.618 231 H ASN 36 H ASN 36 -1.562 -4.728 -1.127 232 HA ASN 36 HA ASN 36 -3.648 -3.892 0.754 233 1HB ASN 36 2HB ASN 36 -1.262 -5.321 0.951 234 2HB ASN 36 1HB ASN 36 -0.883 -3.774 1.702 235 1HD2 ASN 36 1HD2 ASN 36 -3.452 -6.304 1.749 236 2HD2 ASN 36 2HD2 ASN 36 -3.807 -6.123 3.399 237 H PHE 37 H PHE 37 -1.279 -2.457 -1.267 238 HA PHE 37 HA PHE 37 -1.026 0.017 0.275 239 1HB PHE 37 2HB PHE 37 0.825 -0.804 -1.177 240 2HB PHE 37 1HB PHE 37 -0.221 -0.611 -2.584 241 HD1 PHE 37 1HD PHE 37 -0.669 1.537 -3.536 242 HD2 PHE 37 2HD PHE 37 1.512 1.206 0.148 243 HE1 PHE 37 1HE PHE 37 -0.057 3.934 -3.686 244 HE2 PHE 37 2HE PHE 37 2.126 3.605 -0.001 245 HZ PHE 37 HZ PHE 37 1.338 4.966 -1.920 246 H CYS 38 H CYS 38 -2.881 -1.193 -2.464 247 HA CYS 38 HA CYS 38 -3.985 1.388 -3.183 248 1HB CYS 38 2HB CYS 38 -4.351 -1.424 -3.998 249 2HB CYS 38 1HB CYS 38 -5.813 -0.442 -4.101 250 H CYS 39 H CYS 39 -4.752 -1.110 -0.859 251 HA CYS 39 HA CYS 39 -7.453 -0.126 -0.341 252 1HB CYS 39 2HB CYS 39 -7.103 -2.413 0.214 253 2HB CYS 39 1HB CYS 39 -5.608 -2.056 1.076 254 H ALA 40 H ALA 40 -4.248 0.297 1.105 255 HA ALA 40 HA ALA 40 -5.195 1.958 3.290 256 1HB ALA 40 1HB ALA 40 -2.835 2.435 3.677 257 2HB ALA 40 2HB ALA 40 -2.415 1.818 2.079 258 3HB ALA 40 3HB ALA 40 -3.015 0.717 3.320 259 H VAL 41 H VAL 41 -4.451 2.477 -0.051 260 HA VAL 41 HA VAL 41 -4.010 5.351 0.178 261 HB VAL 41 HB VAL 41 -4.527 3.491 -2.152 262 1HG1 VAL 41 1HG1 VAL 41 -4.578 6.463 -1.999 263 2HG1 VAL 41 2HG1 VAL 41 -5.381 5.380 -3.136 264 3HG1 VAL 41 3HG1 VAL 41 -3.672 5.761 -3.341 265 1HG2 VAL 41 1HG2 VAL 41 -2.107 5.211 -1.590 266 2HG2 VAL 41 2HG2 VAL 41 -2.221 3.785 -2.621 267 3HG2 VAL 41 3HG2 VAL 41 -2.283 3.612 -0.868 268 H VAL 42 H VAL 42 -6.747 3.225 -0.442 269 HA VAL 42 HA VAL 42 -8.521 5.454 -1.126 270 HB VAL 42 HB VAL 42 -8.916 2.488 -0.715 271 1HG1 VAL 42 1HG1 VAL 42 -11.310 2.975 -1.474 272 2HG1 VAL 42 2HG1 VAL 42 -10.999 4.659 -1.053 273 3HG1 VAL 42 3HG1 VAL 42 -10.929 3.411 0.192 274 1HG2 VAL 42 1HG2 VAL 42 -9.290 4.381 -3.059 275 2HG2 VAL 42 2HG2 VAL 42 -9.618 2.649 -3.099 276 3HG2 VAL 42 3HG2 VAL 42 -7.970 3.230 -2.855 277 H GLU 43 H GLU 43 -7.396 3.986 1.763 278 HA GLU 43 HA GLU 43 -9.785 4.768 3.309 279 1HB GLU 43 2HB GLU 43 -8.744 3.714 5.181 280 2HB GLU 43 1HB GLU 43 -8.389 2.682 3.796 281 1HG GLU 43 2HG GLU 43 -6.160 3.523 3.621 282 2HG GLU 43 1HG GLU 43 -6.493 4.844 4.739 283 H SER 44 H SER 44 -6.606 5.998 2.540 284 HA SER 44 HA SER 44 -6.720 8.037 4.666 285 1HB SER 44 2HB SER 44 -4.637 6.848 3.306 286 2HB SER 44 1HB SER 44 -4.755 8.415 2.510 287 HG SER 44 HG SER 44 -4.835 9.271 4.740 288 H ASN 45 H ASN 45 -8.562 7.749 2.125 289 HA ASN 45 HA ASN 45 -9.848 9.332 0.945 290 1HB ASN 45 2HB ASN 45 -9.207 10.766 3.064 291 2HB ASN 45 1HB ASN 45 -8.103 11.563 1.943 292 1HD2 ASN 45 1HD2 ASN 45 -10.761 12.483 3.229 293 2HD2 ASN 45 2HD2 ASN 45 -11.683 13.020 1.909 294 H GLY 46 H GLY 46 -7.239 8.111 0.082 295 1HA GLY 46 2HA GLY 46 -5.957 8.190 -1.887 296 2HA GLY 46 1HA GLY 46 -6.998 9.507 -2.431 297 H THR 47 H THR 47 -5.347 9.723 0.642 298 HA THR 47 HA THR 47 -3.660 11.896 -0.532 299 HB THR 47 HB THR 47 -3.544 12.793 1.768 300 HG1 THR 47 1HG THR 47 -3.746 11.054 3.050 301 1HG2 THR 47 1HG2 THR 47 -5.484 13.255 0.132 302 2HG2 THR 47 2HG2 THR 47 -5.749 13.650 1.831 303 3HG2 THR 47 3HG2 THR 47 -6.431 12.172 1.152 304 H LEU 48 H LEU 48 -3.382 8.734 0.276 305 HA LEU 48 HA LEU 48 -0.751 8.961 1.626 306 1HB LEU 48 2HB LEU 48 -2.531 7.222 2.250 307 2HB LEU 48 1HB LEU 48 -2.131 6.422 0.729 308 HG LEU 48 HG LEU 48 0.329 7.021 2.009 309 1HD1 LEU 48 1HD1 LEU 48 -0.494 7.177 4.176 310 2HD1 LEU 48 2HD1 LEU 48 -0.228 5.437 4.059 311 3HD1 LEU 48 3HD1 LEU 48 -1.850 6.099 3.849 312 1HD2 LEU 48 1HD2 LEU 48 0.244 4.415 2.247 313 2HD2 LEU 48 2HD2 LEU 48 0.214 5.122 0.631 314 3HD2 LEU 48 3HD2 LEU 48 -1.282 4.558 1.375 315 H THR 49 H THR 49 1.171 8.012 0.647 316 HA THR 49 HA THR 49 0.963 7.443 -2.268 317 HB THR 49 HB THR 49 2.824 8.961 -2.763 318 HG1 THR 49 1HG THR 49 3.502 10.371 -1.066 319 1HG2 THR 49 1HG2 THR 49 1.341 10.987 -1.401 320 2HG2 THR 49 2HG2 THR 49 0.213 9.743 -1.936 321 3HG2 THR 49 3HG2 THR 49 1.268 10.537 -3.103 322 H LEU 50 H LEU 50 3.794 7.419 -2.644 323 HA LEU 50 HA LEU 50 4.549 5.012 -1.041 324 1HB LEU 50 2HB LEU 50 4.365 4.265 -3.257 325 2HB LEU 50 1HB LEU 50 4.933 5.791 -3.925 326 HG LEU 50 HG LEU 50 7.208 5.241 -2.886 327 1HD1 LEU 50 1HD1 LEU 50 6.023 3.390 -1.446 328 2HD1 LEU 50 2HD1 LEU 50 7.640 3.088 -2.080 329 3HD1 LEU 50 3HD1 LEU 50 6.232 2.398 -2.888 330 1HD2 LEU 50 1HD2 LEU 50 6.017 3.476 -5.045 331 2HD2 LEU 50 2HD2 LEU 50 7.745 3.610 -4.722 332 3HD2 LEU 50 3HD2 LEU 50 6.841 5.019 -5.276 333 H SER 51 H SER 51 6.965 4.834 -0.675 334 HA SER 51 HA SER 51 8.268 7.523 -0.635 335 1HB SER 51 2HB SER 51 8.380 7.479 1.609 336 2HB SER 51 1HB SER 51 7.428 6.001 1.607 337 HG SER 51 HG SER 51 9.899 6.266 2.364 338 H HIS 52 H HIS 52 8.684 4.010 -0.825 339 HA HIS 52 HA HIS 52 10.899 4.164 -2.571 340 1HB HIS 52 2HB HIS 52 12.583 4.778 -1.194 341 2HB HIS 52 1HB HIS 52 11.550 4.642 0.223 342 HD1 HIS 52 1HD HIS 52 11.782 2.550 1.659 343 HD2 HIS 52 2HD HIS 52 14.011 2.336 -1.857 344 HE1 HIS 52 1HE HIS 52 13.288 0.527 1.888 345 H PHE 53 H PHE 53 10.186 2.342 -3.589 346 HA PHE 53 HA PHE 53 8.900 0.108 -2.607 347 1HB PHE 53 2HB PHE 53 10.909 0.465 -4.815 348 2HB PHE 53 1HB PHE 53 10.312 -1.143 -4.430 349 HD1 PHE 53 1HD PHE 53 9.345 2.242 -5.570 350 HD2 PHE 53 2HD PHE 53 8.042 -1.799 -4.914 351 HE1 PHE 53 1HE PHE 53 7.270 2.702 -6.850 352 HE2 PHE 53 2HE PHE 53 5.969 -1.338 -6.191 353 HZ PHE 53 HZ PHE 53 5.582 0.912 -7.158 354 H GLY 54 H GLY 54 9.457 -1.116 -0.859 355 1HA GLY 54 2HA GLY 54 11.269 -2.953 -0.408 356 2HA GLY 54 1HA GLY 54 12.352 -1.565 -0.307 357 H LYS 55 H LYS 55 12.325 -2.977 1.931 358 HA LYS 55 HA LYS 55 10.203 -2.290 3.778 359 1HB LYS 55 2HB LYS 55 12.889 -3.588 3.965 360 2HB LYS 55 1HB LYS 55 12.172 -2.956 5.449 361 1HG LYS 55 2HG LYS 55 10.615 -4.596 5.521 362 2HG LYS 55 1HG LYS 55 10.261 -4.446 3.800 363 1HD LYS 55 2HD LYS 55 11.186 -6.613 4.010 364 2HD LYS 55 1HD LYS 55 12.526 -5.626 3.424 365 1HE LYS 55 2HE LYS 55 13.673 -5.766 5.400 366 2HE LYS 55 1HE LYS 55 12.200 -5.765 6.373 367 1HZ LYS 55 1HZ LYS 55 13.216 -8.046 4.765 368 2HZ LYS 55 2HZ LYS 55 11.790 -8.046 5.687 369 3HZ LYS 55 3HZ LYS 55 13.300 -7.911 6.454 370 H CYS 56 H CYS 56 10.063 -0.539 5.145 371 HA CYS 56 HA CYS 56 11.643 1.799 4.591 372 1HB CYS 56 2HB CYS 56 9.848 1.182 6.960 373 2HB CYS 56 1HB CYS 56 10.467 2.780 6.541 Start of MODEL 6 1 1H ALA 3 1HT ALA 3 8.678 11.035 -8.023 2 2H ALA 3 2HT ALA 3 8.543 9.637 -7.067 3 3H ALA 3 3HT ALA 3 7.713 11.053 -6.629 4 HA ALA 3 HA ALA 3 6.005 9.922 -7.591 5 1HB ALA 3 1HB ALA 3 7.291 11.002 -10.105 6 2HB ALA 3 2HB ALA 3 6.612 12.069 -8.875 7 3HB ALA 3 3HB ALA 3 5.575 10.913 -9.710 8 H VAL 4 H VAL 4 5.469 7.897 -8.290 9 HA VAL 4 HA VAL 4 7.465 6.463 -9.994 10 HB VAL 4 HB VAL 4 6.429 4.381 -8.761 11 1HG1 VAL 4 1HG1 VAL 4 8.355 6.270 -7.375 12 2HG1 VAL 4 2HG1 VAL 4 8.790 5.116 -8.635 13 3HG1 VAL 4 3HG1 VAL 4 8.210 4.539 -7.073 14 1HG2 VAL 4 1HG2 VAL 4 4.842 6.156 -7.579 15 2HG2 VAL 4 2HG2 VAL 4 6.214 6.313 -6.482 16 3HG2 VAL 4 3HG2 VAL 4 5.432 4.747 -6.697 17 H SER 5 H SER 5 6.165 4.289 -10.772 18 HA SER 5 HA SER 5 3.815 5.383 -12.222 19 1HB SER 5 2HB SER 5 5.976 3.706 -12.968 20 2HB SER 5 1HB SER 5 4.524 2.712 -13.029 21 HG SER 5 HG SER 5 3.572 4.328 -14.329 22 H VAL 6 H VAL 6 2.897 5.056 -9.817 23 HA VAL 6 HA VAL 6 1.689 2.320 -9.722 24 HB VAL 6 HB VAL 6 3.183 2.982 -7.780 25 1HG1 VAL 6 1HG1 VAL 6 1.881 5.390 -7.978 26 2HG1 VAL 6 2HG1 VAL 6 2.772 4.855 -6.553 27 3HG1 VAL 6 3HG1 VAL 6 1.024 4.635 -6.635 28 1HG2 VAL 6 1HG2 VAL 6 0.670 2.725 -6.382 29 2HG2 VAL 6 2HG2 VAL 6 1.922 1.508 -6.632 30 3HG2 VAL 6 3HG2 VAL 6 0.648 1.723 -7.833 31 H ASP 7 H ASP 7 -0.584 2.231 -9.150 32 HA ASP 7 HA ASP 7 -2.128 4.657 -8.791 33 1HB ASP 7 2HB ASP 7 -1.541 3.811 -11.488 34 2HB ASP 7 1HB ASP 7 -3.273 3.675 -11.181 35 H CYS 8 H CYS 8 -4.222 4.164 -8.104 36 HA CYS 8 HA CYS 8 -4.946 1.261 -8.110 37 1HB CYS 8 2HB CYS 8 -5.572 3.282 -5.935 38 2HB CYS 8 1HB CYS 8 -5.941 1.558 -5.904 39 H SER 9 H SER 9 -5.776 2.887 -10.176 40 HA SER 9 HA SER 9 -8.118 4.371 -9.955 41 1HB SER 9 2HB SER 9 -6.836 3.946 -12.075 42 2HB SER 9 1HB SER 9 -7.559 2.341 -12.137 43 HG SER 9 HG SER 9 -9.199 4.596 -11.814 44 H GLU 10 H GLU 10 -9.411 3.493 -8.290 45 HA GLU 10 HA GLU 10 -11.209 2.229 -7.466 46 1HB GLU 10 2HB GLU 10 -11.291 1.559 -10.406 47 2HB GLU 10 1HB GLU 10 -12.381 0.765 -9.270 48 1HG GLU 10 2HG GLU 10 -13.715 2.567 -9.672 49 2HG GLU 10 1HG GLU 10 -12.662 3.366 -8.504 50 H TYR 11 H TYR 11 -9.049 1.178 -6.532 51 HA TYR 11 HA TYR 11 -9.241 -1.740 -7.140 52 1HB TYR 11 2HB TYR 11 -7.063 -0.226 -7.780 53 2HB TYR 11 1HB TYR 11 -6.637 -0.749 -6.150 54 HD1 TYR 11 1HD TYR 11 -8.673 -2.542 -8.722 55 HD2 TYR 11 2HD TYR 11 -5.001 -2.415 -6.494 56 HE1 TYR 11 1HE TYR 11 -8.064 -4.780 -9.598 57 HE2 TYR 11 2HE TYR 11 -4.392 -4.654 -7.371 58 HH TYR 11 HH TYR 11 -6.513 -6.733 -8.728 59 HA PRO 12 HA PRO 12 -9.537 -0.674 -2.544 60 1HB PRO 12 2HB PRO 12 -12.243 -1.008 -2.223 61 2HB PRO 12 1HB PRO 12 -11.492 0.558 -2.579 62 1HG PRO 12 2HG PRO 12 -13.021 -1.250 -4.402 63 2HG PRO 12 1HG PRO 12 -12.860 0.515 -4.446 64 1HD PRO 12 2HD PRO 12 -11.471 -1.281 -6.109 65 2HD PRO 12 1HD PRO 12 -11.039 0.417 -5.822 66 H LYS 13 H LYS 13 -8.822 -2.588 -1.627 67 HA LYS 13 HA LYS 13 -10.609 -4.833 -1.328 68 1HB LYS 13 2HB LYS 13 -8.705 -6.326 -2.554 69 2HB LYS 13 1HB LYS 13 -10.162 -5.760 -3.369 70 1HG LYS 13 2HG LYS 13 -8.996 -3.862 -4.297 71 2HG LYS 13 1HG LYS 13 -7.566 -4.198 -3.320 72 1HD LYS 13 2HD LYS 13 -8.274 -6.553 -4.821 73 2HD LYS 13 1HD LYS 13 -8.143 -5.175 -5.915 74 1HE LYS 13 2HE LYS 13 -5.903 -4.800 -5.396 75 2HE LYS 13 1HE LYS 13 -6.032 -5.585 -3.821 76 1HZ LYS 13 1HZ LYS 13 -5.133 -7.335 -4.840 77 2HZ LYS 13 2HZ LYS 13 -5.445 -6.723 -6.394 78 3HZ LYS 13 3HZ LYS 13 -6.655 -7.569 -5.553 79 H CYS 14 H CYS 14 -10.045 -4.725 0.861 80 HA CYS 14 HA CYS 14 -7.182 -4.920 1.589 81 1HB CYS 14 2HB CYS 14 -9.627 -4.008 2.896 82 2HB CYS 14 1HB CYS 14 -8.698 -5.096 3.928 83 H ALA 15 H ALA 15 -8.785 -7.121 0.277 84 HA ALA 15 HA ALA 15 -8.137 -9.225 2.293 85 1HB ALA 15 1HB ALA 15 -10.438 -9.644 0.424 86 2HB ALA 15 2HB ALA 15 -10.693 -8.636 1.849 87 3HB ALA 15 3HB ALA 15 -10.169 -10.309 2.035 88 H CYS 16 H CYS 16 -6.132 -9.304 0.984 89 HA CYS 16 HA CYS 16 -6.517 -10.569 -1.694 90 1HB CYS 16 2HB CYS 16 -4.298 -8.965 -0.453 91 2HB CYS 16 1HB CYS 16 -3.953 -10.061 -1.793 92 H THR 17 H THR 17 -4.410 -12.046 -2.099 93 HA THR 17 HA THR 17 -4.719 -14.250 -0.211 94 HB THR 17 HB THR 17 -2.893 -13.957 -2.614 95 HG1 THR 17 1HG THR 17 -5.256 -13.882 -2.880 96 1HG2 THR 17 1HG2 THR 17 -3.782 -16.442 -1.125 97 2HG2 THR 17 2HG2 THR 17 -2.194 -15.694 -0.955 98 3HG2 THR 17 3HG2 THR 17 -2.685 -16.379 -2.505 99 H MET 18 H MET 18 -1.486 -13.927 -1.401 100 HA MET 18 HA MET 18 -0.466 -12.562 0.972 101 1HB MET 18 2HB MET 18 -0.344 -15.555 0.688 102 2HB MET 18 1HB MET 18 0.943 -14.691 1.533 103 1HG MET 18 2HG MET 18 -1.096 -13.523 2.760 104 2HG MET 18 1HG MET 18 -1.943 -14.992 2.276 105 1HE MET 18 1HE MET 18 -2.204 -15.403 5.153 106 2HE MET 18 2HE MET 18 -1.464 -17.002 5.171 107 3HE MET 18 3HE MET 18 -2.365 -16.472 3.752 108 H GLU 19 H GLU 19 -0.039 -11.770 -1.567 109 HA GLU 19 HA GLU 19 2.311 -12.991 -2.767 110 1HB GLU 19 2HB GLU 19 0.508 -10.745 -3.346 111 2HB GLU 19 1HB GLU 19 2.187 -10.418 -3.774 112 1HG GLU 19 2HG GLU 19 1.678 -11.537 -5.690 113 2HG GLU 19 1HG GLU 19 1.896 -12.977 -4.694 114 H TYR 20 H TYR 20 4.472 -12.132 -2.729 115 HA TYR 20 HA TYR 20 5.015 -10.521 -0.290 116 1HB TYR 20 2HB TYR 20 6.217 -12.779 -1.048 117 2HB TYR 20 1HB TYR 20 7.205 -11.633 -1.954 118 HD1 TYR 20 1HD TYR 20 6.707 -13.163 1.221 119 HD2 TYR 20 2HD TYR 20 8.068 -9.543 -0.649 120 HE1 TYR 20 1HE TYR 20 7.940 -12.558 3.286 121 HE2 TYR 20 2HE TYR 20 9.300 -8.938 1.415 122 HH TYR 20 HH TYR 20 10.299 -10.202 3.398 123 H ARG 21 H ARG 21 4.740 -8.421 -0.890 124 HA ARG 21 HA ARG 21 6.677 -7.337 -2.857 125 1HB ARG 21 2HB ARG 21 3.897 -6.190 -2.809 126 2HB ARG 21 1HB ARG 21 5.109 -6.108 -4.083 127 1HG ARG 21 2HG ARG 21 4.047 -8.808 -3.351 128 2HG ARG 21 1HG ARG 21 3.003 -7.731 -4.274 129 1HD ARG 21 2HD ARG 21 4.122 -8.338 -6.127 130 2HD ARG 21 1HD ARG 21 5.539 -7.518 -5.472 131 HE ARG 21 HE ARG 21 5.184 -10.230 -4.445 132 1HH1 ARG 21 1HH2 ARG 21 7.778 -8.682 -4.968 133 2HH1 ARG 21 2HH2 ARG 21 8.432 -9.583 -6.295 134 1HH2 ARG 21 1HH1 ARG 21 5.452 -11.201 -7.010 135 2HH2 ARG 21 2HH1 ARG 21 7.115 -11.007 -7.451 136 HA PRO 22 HA PRO 22 6.771 -4.986 1.022 137 1HB PRO 22 2HB PRO 22 9.460 -4.439 0.849 138 2HB PRO 22 1HB PRO 22 8.800 -5.927 1.549 139 1HG PRO 22 2HG PRO 22 10.122 -5.523 -1.096 140 2HG PRO 22 1HG PRO 22 10.041 -6.981 -0.093 141 1HD PRO 22 2HD PRO 22 8.469 -6.473 -2.384 142 2HD PRO 22 1HD PRO 22 8.156 -7.729 -1.167 143 H LEU 23 H LEU 23 5.818 -3.019 0.623 144 HA LEU 23 HA LEU 23 7.205 -1.146 -1.260 145 1HB LEU 23 2HB LEU 23 4.280 -1.381 -0.493 146 2HB LEU 23 1HB LEU 23 4.938 0.004 -1.375 147 HG LEU 23 HG LEU 23 5.872 -2.375 -2.660 148 1HD1 LEU 23 1HD1 LEU 23 4.095 -3.685 -1.782 149 2HD1 LEU 23 2HD1 LEU 23 3.530 -3.183 -3.375 150 3HD1 LEU 23 3HD1 LEU 23 2.938 -2.361 -1.930 151 1HD2 LEU 23 1HD2 LEU 23 5.308 -1.133 -4.474 152 2HD2 LEU 23 2HD2 LEU 23 4.897 0.132 -3.316 153 3HD2 LEU 23 3HD2 LEU 23 3.643 -0.946 -3.926 154 H CYS 24 H CYS 24 8.038 0.684 -0.305 155 HA CYS 24 HA CYS 24 7.428 1.120 2.559 156 1HB CYS 24 2HB CYS 24 9.777 1.310 1.817 157 2HB CYS 24 1HB CYS 24 9.318 2.577 0.681 158 H GLY 25 H GLY 25 5.689 2.389 3.035 159 1HA GLY 25 2HA GLY 25 4.467 4.073 1.001 160 2HA GLY 25 1HA GLY 25 3.943 3.937 2.682 161 H SER 26 H SER 26 4.468 6.357 0.936 162 HA SER 26 HA SER 26 6.814 7.733 1.633 163 1HB SER 26 2HB SER 26 4.100 8.466 0.784 164 2HB SER 26 1HB SER 26 4.913 9.718 1.717 165 HG SER 26 HG SER 26 5.421 9.903 -0.483 166 H ASP 27 H ASP 27 4.233 6.772 3.710 167 HA ASP 27 HA ASP 27 4.779 8.817 5.744 168 1HB ASP 27 2HB ASP 27 3.068 7.691 7.041 169 2HB ASP 27 1HB ASP 27 2.507 7.811 5.374 170 H ASN 28 H ASN 28 6.840 6.719 4.809 171 HA ASN 28 HA ASN 28 8.577 5.520 5.816 172 1HB ASN 28 2HB ASN 28 8.162 7.676 7.418 173 2HB ASN 28 1HB ASN 28 7.845 6.368 8.559 174 1HD2 ASN 28 1HD2 ASN 28 10.299 8.307 7.900 175 2HD2 ASN 28 2HD2 ASN 28 11.617 7.238 7.974 176 H LYS 29 H LYS 29 6.046 4.198 5.456 177 HA LYS 29 HA LYS 29 6.075 2.381 7.844 178 1HB LYS 29 2HB LYS 29 3.899 3.762 6.649 179 2HB LYS 29 1HB LYS 29 3.689 2.049 6.284 180 1HG LYS 29 2HG LYS 29 4.552 2.594 9.048 181 2HG LYS 29 1HG LYS 29 2.957 3.234 8.651 182 1HD LYS 29 2HD LYS 29 2.258 1.020 7.834 183 2HD LYS 29 1HD LYS 29 3.857 0.373 8.202 184 1HE LYS 29 2HE LYS 29 3.382 1.310 10.607 185 2HE LYS 29 1HE LYS 29 1.696 1.259 10.094 186 1HZ LYS 29 1HZ LYS 29 3.038 -0.822 11.133 187 2HZ LYS 29 2HZ LYS 29 3.213 -1.117 9.468 188 3HZ LYS 29 3HZ LYS 29 1.664 -0.963 10.149 189 H THR 30 H THR 30 5.451 0.077 7.270 190 HA THR 30 HA THR 30 6.641 -0.629 4.620 191 HB THR 30 HB THR 30 6.570 -2.117 7.255 192 HG1 THR 30 1HG THR 30 8.793 -2.008 6.992 193 1HG2 THR 30 1HG2 THR 30 6.503 -4.043 6.094 194 2HG2 THR 30 2HG2 THR 30 8.055 -3.597 5.387 195 3HG2 THR 30 3HG2 THR 30 6.556 -3.178 4.558 196 H TYR 31 H TYR 31 5.353 -1.692 3.179 197 HA TYR 31 HA TYR 31 2.661 -2.557 4.123 198 1HB TYR 31 2HB TYR 31 3.722 -1.480 1.529 199 2HB TYR 31 1HB TYR 31 2.286 -2.498 1.522 200 HD1 TYR 31 1HD TYR 31 3.681 0.328 3.565 201 HD2 TYR 31 2HD TYR 31 0.245 -1.394 1.646 202 HE1 TYR 31 1HE TYR 31 2.308 2.261 4.290 203 HE2 TYR 31 2HE TYR 31 -1.128 0.540 2.370 204 HH TYR 31 HH TYR 31 -0.893 2.291 4.435 205 H GLY 32 H GLY 32 1.919 -4.645 3.564 206 1HA GLY 32 2HA GLY 32 4.009 -6.633 3.166 207 2HA GLY 32 1HA GLY 32 2.280 -6.964 3.304 208 H ASN 33 H ASN 33 1.573 -5.066 1.149 209 HA ASN 33 HA ASN 33 2.964 -5.889 -1.251 210 1HB ASN 33 2HB ASN 33 0.908 -7.110 -2.184 211 2HB ASN 33 1HB ASN 33 1.886 -7.991 -1.008 212 1HD2 ASN 33 1HD2 ASN 33 0.546 -9.074 0.432 213 2HD2 ASN 33 2HD2 ASN 33 -0.901 -8.461 1.070 214 H LYS 34 H LYS 34 1.849 -5.023 -3.204 215 HA LYS 34 HA LYS 34 0.941 -2.362 -2.812 216 1HB LYS 34 2HB LYS 34 1.938 -3.462 -4.933 217 2HB LYS 34 1HB LYS 34 0.288 -3.985 -5.268 218 1HG LYS 34 2HG LYS 34 -0.083 -1.340 -4.630 219 2HG LYS 34 1HG LYS 34 1.476 -1.298 -5.453 220 1HD LYS 34 2HD LYS 34 -0.044 -3.023 -7.019 221 2HD LYS 34 1HD LYS 34 -1.187 -1.760 -6.558 222 1HE LYS 34 2HE LYS 34 -0.012 -0.100 -7.652 223 2HE LYS 34 1HE LYS 34 1.539 -0.914 -7.441 224 1HZ LYS 34 1HZ LYS 34 0.757 -0.962 -9.748 225 2HZ LYS 34 2HZ LYS 34 -0.623 -1.826 -9.261 226 3HZ LYS 34 3HZ LYS 34 0.920 -2.520 -9.099 227 H CYS 35 H CYS 35 -0.725 -5.324 -2.482 228 HA CYS 35 HA CYS 35 -3.364 -4.390 -3.236 229 1HB CYS 35 2HB CYS 35 -2.939 -6.782 -3.124 230 2HB CYS 35 1HB CYS 35 -2.453 -6.657 -1.435 231 H ASN 36 H ASN 36 -1.433 -4.416 -0.298 232 HA ASN 36 HA ASN 36 -3.570 -3.319 1.367 233 1HB ASN 36 2HB ASN 36 -1.151 -4.628 1.851 234 2HB ASN 36 1HB ASN 36 -0.831 -2.965 2.333 235 1HD2 ASN 36 1HD2 ASN 36 -3.647 -5.218 2.635 236 2HD2 ASN 36 2HD2 ASN 36 -3.912 -4.893 4.280 237 H PHE 37 H PHE 37 -1.158 -2.172 -0.799 238 HA PHE 37 HA PHE 37 -0.942 0.511 0.309 239 1HB PHE 37 2HB PHE 37 0.844 -0.571 -1.082 240 2HB PHE 37 1HB PHE 37 -0.238 -0.484 -2.470 241 HD1 PHE 37 1HD PHE 37 -0.695 1.611 -3.586 242 HD2 PHE 37 2HD PHE 37 1.714 1.506 -0.030 243 HE1 PHE 37 1HE PHE 37 0.014 3.951 -3.998 244 HE2 PHE 37 2HE PHE 37 2.421 3.850 -0.442 245 HZ PHE 37 HZ PHE 37 1.572 5.070 -2.426 246 H CYS 38 H CYS 38 -2.805 -1.045 -2.277 247 HA CYS 38 HA CYS 38 -4.024 1.458 -3.144 248 1HB CYS 38 2HB CYS 38 -4.524 -1.458 -3.731 249 2HB CYS 38 1HB CYS 38 -5.650 -0.221 -4.286 250 H CYS 39 H CYS 39 -4.608 -0.900 -0.676 251 HA CYS 39 HA CYS 39 -7.424 -0.184 -0.301 252 1HB CYS 39 2HB CYS 39 -6.467 -2.433 0.315 253 2HB CYS 39 1HB CYS 39 -5.572 -1.637 1.610 254 H ALA 40 H ALA 40 -4.303 0.691 1.077 255 HA ALA 40 HA ALA 40 -5.464 2.340 3.189 256 1HB ALA 40 1HB ALA 40 -3.256 2.797 3.821 257 2HB ALA 40 2HB ALA 40 -2.654 2.670 2.168 258 3HB ALA 40 3HB ALA 40 -3.089 1.213 3.063 259 H VAL 41 H VAL 41 -4.600 2.728 -0.150 260 HA VAL 41 HA VAL 41 -4.510 5.656 -0.038 261 HB VAL 41 HB VAL 41 -4.447 3.623 -2.273 262 1HG1 VAL 41 1HG1 VAL 41 -4.083 5.617 -3.789 263 2HG1 VAL 41 2HG1 VAL 41 -4.639 6.641 -2.466 264 3HG1 VAL 41 3HG1 VAL 41 -5.730 5.455 -3.181 265 1HG2 VAL 41 1HG2 VAL 41 -2.506 5.727 -1.263 266 2HG2 VAL 41 2HG2 VAL 41 -2.216 4.668 -2.645 267 3HG2 VAL 41 3HG2 VAL 41 -2.368 3.984 -1.026 268 H VAL 42 H VAL 42 -6.824 3.146 -0.977 269 HA VAL 42 HA VAL 42 -8.800 5.028 -1.967 270 HB VAL 42 HB VAL 42 -8.937 2.116 -1.151 271 1HG1 VAL 42 1HG1 VAL 42 -11.159 2.479 -0.851 272 2HG1 VAL 42 2HG1 VAL 42 -11.217 2.612 -2.608 273 3HG1 VAL 42 3HG1 VAL 42 -11.095 4.065 -1.617 274 1HG2 VAL 42 1HG2 VAL 42 -7.937 2.109 -3.224 275 2HG2 VAL 42 2HG2 VAL 42 -8.615 3.674 -3.673 276 3HG2 VAL 42 3HG2 VAL 42 -9.613 2.222 -3.756 277 H GLU 43 H GLU 43 -7.863 3.883 1.160 278 HA GLU 43 HA GLU 43 -10.421 4.640 2.415 279 1HB GLU 43 2HB GLU 43 -9.441 3.859 4.470 280 2HB GLU 43 1HB GLU 43 -8.987 2.705 3.215 281 1HG GLU 43 2HG GLU 43 -6.789 3.675 3.014 282 2HG GLU 43 1HG GLU 43 -7.231 5.020 4.066 283 H SER 44 H SER 44 -7.199 5.972 1.933 284 HA SER 44 HA SER 44 -7.745 8.212 3.777 285 1HB SER 44 2HB SER 44 -5.396 7.077 2.464 286 2HB SER 44 1HB SER 44 -5.447 8.832 2.325 287 HG SER 44 HG SER 44 -4.464 7.874 4.293 288 H ASN 45 H ASN 45 -8.684 7.462 0.702 289 HA ASN 45 HA ASN 45 -9.790 8.813 -0.886 290 1HB ASN 45 2HB ASN 45 -10.133 10.343 1.192 291 2HB ASN 45 1HB ASN 45 -8.787 11.272 0.535 292 1HD2 ASN 45 1HD2 ASN 45 -11.484 12.318 0.691 293 2HD2 ASN 45 2HD2 ASN 45 -12.037 12.554 -0.896 294 H GLY 46 H GLY 46 -6.650 8.372 -0.421 295 1HA GLY 46 2HA GLY 46 -5.118 8.442 -2.320 296 2HA GLY 46 1HA GLY 46 -5.940 9.898 -2.879 297 H THR 47 H THR 47 -5.477 9.908 0.487 298 HA THR 47 HA THR 47 -3.527 12.071 0.247 299 HB THR 47 HB THR 47 -4.685 10.718 2.703 300 HG1 THR 47 1HG THR 47 -5.874 12.186 0.935 301 1HG2 THR 47 1HG2 THR 47 -2.541 12.531 2.405 302 2HG2 THR 47 2HG2 THR 47 -3.336 12.041 3.901 303 3HG2 THR 47 3HG2 THR 47 -3.904 13.463 3.025 304 H LEU 48 H LEU 48 -3.421 8.662 0.713 305 HA LEU 48 HA LEU 48 -0.781 8.710 2.028 306 1HB LEU 48 2HB LEU 48 -2.592 6.969 2.486 307 2HB LEU 48 1HB LEU 48 -2.228 6.307 0.893 308 HG LEU 48 HG LEU 48 0.249 6.719 2.248 309 1HD1 LEU 48 1HD1 LEU 48 -0.326 4.915 4.073 310 2HD1 LEU 48 2HD1 LEU 48 -1.963 5.546 3.904 311 3HD1 LEU 48 3HD1 LEU 48 -0.652 6.618 4.397 312 1HD2 LEU 48 1HD2 LEU 48 -1.119 4.769 0.704 313 2HD2 LEU 48 2HD2 LEU 48 -0.581 3.962 2.177 314 3HD2 LEU 48 3HD2 LEU 48 0.588 4.784 1.146 315 H THR 49 H THR 49 1.124 7.756 0.998 316 HA THR 49 HA THR 49 0.972 7.408 -1.941 317 HB THR 49 HB THR 49 3.029 8.927 -2.127 318 HG1 THR 49 1HG THR 49 3.474 10.203 -0.464 319 1HG2 THR 49 1HG2 THR 49 0.445 10.260 -1.291 320 2HG2 THR 49 2HG2 THR 49 0.690 9.499 -2.863 321 3HG2 THR 49 3HG2 THR 49 1.662 10.894 -2.399 322 H LEU 50 H LEU 50 3.684 7.240 -2.464 323 HA LEU 50 HA LEU 50 4.671 5.097 -0.622 324 1HB LEU 50 2HB LEU 50 3.819 3.964 -2.561 325 2HB LEU 50 1HB LEU 50 4.580 5.123 -3.650 326 HG LEU 50 HG LEU 50 6.643 4.114 -1.990 327 1HD1 LEU 50 1HD1 LEU 50 4.605 2.074 -2.809 328 2HD1 LEU 50 2HD1 LEU 50 5.596 2.145 -1.351 329 3HD1 LEU 50 3HD1 LEU 50 6.314 1.639 -2.879 330 1HD2 LEU 50 1HD2 LEU 50 7.257 2.990 -4.256 331 2HD2 LEU 50 2HD2 LEU 50 7.145 4.749 -4.207 332 3HD2 LEU 50 3HD2 LEU 50 5.818 3.799 -4.875 333 H SER 51 H SER 51 6.827 5.351 -0.079 334 HA SER 51 HA SER 51 8.221 7.718 -1.131 335 1HB SER 51 2HB SER 51 8.172 6.335 1.343 336 2HB SER 51 1HB SER 51 9.808 6.182 0.712 337 HG SER 51 HG SER 51 9.490 8.113 1.925 338 H HIS 52 H HIS 52 8.512 4.185 -1.268 339 HA HIS 52 HA HIS 52 10.031 4.186 -3.643 340 1HB HIS 52 2HB HIS 52 12.281 3.735 -2.902 341 2HB HIS 52 1HB HIS 52 11.768 5.224 -2.115 342 HD1 HIS 52 1HD HIS 52 12.624 1.652 -1.425 343 HD2 HIS 52 2HD HIS 52 11.278 4.977 0.699 344 HE1 HIS 52 1HE HIS 52 12.861 1.078 1.030 345 H PHE 53 H PHE 53 9.225 2.295 -4.344 346 HA PHE 53 HA PHE 53 8.169 0.163 -2.946 347 1HB PHE 53 2HB PHE 53 9.938 -0.220 -5.374 348 2HB PHE 53 1HB PHE 53 8.555 -1.191 -4.886 349 HD1 PHE 53 1HD PHE 53 9.504 1.080 -7.254 350 HD2 PHE 53 2HD PHE 53 6.403 0.504 -4.346 351 HE1 PHE 53 1HE PHE 53 7.994 2.537 -8.576 352 HE2 PHE 53 2HE PHE 53 4.891 1.961 -5.664 353 HZ PHE 53 HZ PHE 53 5.687 2.978 -7.781 354 H GLY 54 H GLY 54 9.107 -0.897 -1.236 355 1HA GLY 54 2HA GLY 54 11.135 -2.692 -1.258 356 2HA GLY 54 1HA GLY 54 12.037 -1.182 -1.121 357 H LYS 55 H LYS 55 11.623 -3.445 0.838 358 HA LYS 55 HA LYS 55 9.912 -2.829 2.953 359 1HB LYS 55 2HB LYS 55 11.307 -4.814 3.036 360 2HB LYS 55 1HB LYS 55 12.772 -3.831 3.068 361 1HG LYS 55 2HG LYS 55 12.034 -2.843 5.228 362 2HG LYS 55 1HG LYS 55 10.623 -3.902 5.208 363 1HD LYS 55 2HD LYS 55 12.281 -4.977 6.578 364 2HD LYS 55 1HD LYS 55 12.224 -5.862 5.053 365 1HE LYS 55 2HE LYS 55 14.086 -3.737 4.721 366 2HE LYS 55 1HE LYS 55 14.462 -4.525 6.253 367 1HZ LYS 55 1HZ LYS 55 14.266 -5.769 3.571 368 2HZ LYS 55 2HZ LYS 55 14.304 -6.678 5.006 369 3HZ LYS 55 3HZ LYS 55 15.624 -5.692 4.585 370 H CYS 56 H CYS 56 10.151 -1.517 4.855 371 HA CYS 56 HA CYS 56 12.210 0.633 4.624 372 1HB CYS 56 2HB CYS 56 9.367 0.890 4.449 373 2HB CYS 56 1HB CYS 56 9.896 1.653 5.948 Start of MODEL 7 1 1H ALA 3 1HT ALA 3 5.752 12.968 -10.509 2 2H ALA 3 2HT ALA 3 5.323 12.254 -11.990 3 3H ALA 3 3HT ALA 3 6.448 11.491 -10.969 4 HA ALA 3 HA ALA 3 4.377 11.685 -9.309 5 1HB ALA 3 1HB ALA 3 3.275 12.459 -11.709 6 2HB ALA 3 2HB ALA 3 2.369 11.758 -10.367 7 3HB ALA 3 3HB ALA 3 2.926 10.730 -11.687 8 H VAL 4 H VAL 4 4.061 9.623 -8.481 9 HA VAL 4 HA VAL 4 5.758 7.508 -9.487 10 HB VAL 4 HB VAL 4 4.727 6.151 -7.687 11 1HG1 VAL 4 1HG1 VAL 4 6.286 7.226 -6.464 12 2HG1 VAL 4 2HG1 VAL 4 5.027 8.365 -5.983 13 3HG1 VAL 4 3HG1 VAL 4 6.048 8.716 -7.378 14 1HG2 VAL 4 1HG2 VAL 4 2.803 6.769 -6.577 15 2HG2 VAL 4 2HG2 VAL 4 2.470 7.543 -8.127 16 3HG2 VAL 4 3HG2 VAL 4 3.112 8.493 -6.786 17 H SER 5 H SER 5 4.917 5.329 -10.093 18 HA SER 5 HA SER 5 2.608 5.628 -11.926 19 1HB SER 5 2HB SER 5 3.843 3.018 -11.993 20 2HB SER 5 1HB SER 5 3.765 4.235 -13.264 21 HG SER 5 HG SER 5 5.871 3.500 -11.915 22 H VAL 6 H VAL 6 1.035 5.617 -10.131 23 HA VAL 6 HA VAL 6 0.278 2.843 -9.427 24 HB VAL 6 HB VAL 6 1.732 3.792 -7.569 25 1HG1 VAL 6 1HG1 VAL 6 -0.614 5.419 -6.705 26 2HG1 VAL 6 2HG1 VAL 6 0.417 6.098 -7.964 27 3HG1 VAL 6 3HG1 VAL 6 1.104 5.672 -6.396 28 1HG2 VAL 6 1HG2 VAL 6 -0.138 2.024 -7.352 29 2HG2 VAL 6 2HG2 VAL 6 -1.113 3.323 -6.667 30 3HG2 VAL 6 3HG2 VAL 6 0.382 2.829 -5.872 31 H ASP 7 H ASP 7 -1.872 2.649 -9.813 32 HA ASP 7 HA ASP 7 -3.675 4.920 -9.211 33 1HB ASP 7 2HB ASP 7 -2.939 5.129 -11.619 34 2HB ASP 7 1HB ASP 7 -3.690 3.562 -11.922 35 H CYS 8 H CYS 8 -5.253 4.013 -7.985 36 HA CYS 8 HA CYS 8 -6.340 1.367 -8.824 37 1HB CYS 8 2HB CYS 8 -6.149 1.867 -5.894 38 2HB CYS 8 1HB CYS 8 -6.011 0.355 -6.787 39 H SER 9 H SER 9 -7.740 3.447 -9.582 40 HA SER 9 HA SER 9 -9.524 4.515 -7.535 41 1HB SER 9 2HB SER 9 -8.875 5.127 -10.226 42 2HB SER 9 1HB SER 9 -10.600 4.779 -10.188 43 HG SER 9 HG SER 9 -10.647 6.229 -8.321 44 H GLU 10 H GLU 10 -9.503 1.579 -7.732 45 HA GLU 10 HA GLU 10 -12.289 1.074 -7.551 46 1HB GLU 10 2HB GLU 10 -12.652 -0.277 -9.545 47 2HB GLU 10 1HB GLU 10 -12.125 1.330 -10.045 48 1HG GLU 10 2HG GLU 10 -10.358 0.438 -11.110 49 2HG GLU 10 1HG GLU 10 -9.805 -0.300 -9.606 50 H TYR 11 H TYR 11 -9.735 0.562 -6.188 51 HA TYR 11 HA TYR 11 -9.816 -2.437 -6.225 52 1HB TYR 11 2HB TYR 11 -7.617 -0.691 -6.645 53 2HB TYR 11 1HB TYR 11 -7.376 -1.458 -5.076 54 HD1 TYR 11 1HD TYR 11 -6.550 -3.651 -4.957 55 HD2 TYR 11 2HD TYR 11 -8.309 -2.245 -8.615 56 HE1 TYR 11 1HE TYR 11 -5.875 -5.753 -6.091 57 HE2 TYR 11 2HE TYR 11 -7.635 -4.344 -9.748 58 HH TYR 11 HH TYR 11 -7.013 -6.571 -9.269 59 HA PRO 12 HA PRO 12 -10.798 -0.799 -1.938 60 1HB PRO 12 2HB PRO 12 -13.399 -1.681 -1.839 61 2HB PRO 12 1HB PRO 12 -12.939 -0.061 -2.391 62 1HG PRO 12 2HG PRO 12 -13.797 -2.426 -4.005 63 2HG PRO 12 1HG PRO 12 -13.995 -0.699 -4.351 64 1HD PRO 12 2HD PRO 12 -12.050 -2.365 -5.512 65 2HD PRO 12 1HD PRO 12 -12.008 -0.589 -5.484 66 H LYS 13 H LYS 13 -9.265 -2.666 -1.597 67 HA LYS 13 HA LYS 13 -10.632 -4.895 -0.288 68 1HB LYS 13 2HB LYS 13 -9.132 -6.530 -1.701 69 2HB LYS 13 1HB LYS 13 -10.676 -5.987 -2.359 70 1HG LYS 13 2HG LYS 13 -8.572 -4.084 -2.968 71 2HG LYS 13 1HG LYS 13 -8.147 -5.695 -3.549 72 1HD LYS 13 2HD LYS 13 -10.810 -4.348 -4.081 73 2HD LYS 13 1HD LYS 13 -9.459 -4.348 -5.214 74 1HE LYS 13 2HE LYS 13 -10.304 -6.986 -4.113 75 2HE LYS 13 1HE LYS 13 -11.374 -6.227 -5.290 76 1HZ LYS 13 1HZ LYS 13 -9.902 -6.507 -6.939 77 2HZ LYS 13 2HZ LYS 13 -9.253 -7.715 -5.936 78 3HZ LYS 13 3HZ LYS 13 -8.560 -6.163 -5.961 79 H CYS 14 H CYS 14 -9.473 -4.202 1.563 80 HA CYS 14 HA CYS 14 -6.523 -4.068 1.368 81 1HB CYS 14 2HB CYS 14 -8.174 -3.696 3.870 82 2HB CYS 14 1HB CYS 14 -6.558 -3.079 3.529 83 H ALA 15 H ALA 15 -7.946 -6.641 1.062 84 HA ALA 15 HA ALA 15 -6.658 -8.069 3.351 85 1HB ALA 15 1HB ALA 15 -9.222 -8.905 1.962 86 2HB ALA 15 2HB ALA 15 -9.162 -8.083 3.522 87 3HB ALA 15 3HB ALA 15 -8.467 -9.694 3.348 88 H CYS 16 H CYS 16 -5.010 -7.806 1.372 89 HA CYS 16 HA CYS 16 -5.411 -10.086 -0.510 90 1HB CYS 16 2HB CYS 16 -3.206 -8.055 -0.747 91 2HB CYS 16 1HB CYS 16 -3.971 -9.018 -2.012 92 H THR 17 H THR 17 -3.721 -11.605 -0.794 93 HA THR 17 HA THR 17 -1.319 -11.504 0.860 94 HB THR 17 HB THR 17 -2.824 -12.251 2.592 95 HG1 THR 17 1HG THR 17 -1.464 -13.747 3.094 96 1HG2 THR 17 1HG2 THR 17 -4.519 -13.035 0.747 97 2HG2 THR 17 2HG2 THR 17 -4.505 -13.842 2.315 98 3HG2 THR 17 3HG2 THR 17 -3.707 -14.590 0.930 99 H MET 18 H MET 18 -0.895 -11.655 -1.629 100 HA MET 18 HA MET 18 -0.894 -14.536 -2.436 101 1HB MET 18 2HB MET 18 -0.855 -12.024 -4.134 102 2HB MET 18 1HB MET 18 -0.679 -13.659 -4.773 103 1HG MET 18 2HG MET 18 -2.895 -14.175 -3.559 104 2HG MET 18 1HG MET 18 -3.079 -12.427 -3.417 105 1HE MET 18 1HE MET 18 -4.321 -11.018 -5.798 106 2HE MET 18 2HE MET 18 -2.854 -11.040 -6.775 107 3HE MET 18 3HE MET 18 -2.734 -10.903 -5.023 108 H GLU 19 H GLU 19 0.993 -12.003 -3.967 109 HA GLU 19 HA GLU 19 3.439 -13.558 -3.463 110 1HB GLU 19 2HB GLU 19 2.999 -12.547 -5.692 111 2HB GLU 19 1HB GLU 19 3.059 -10.945 -4.957 112 1HG GLU 19 2HG GLU 19 5.233 -11.487 -5.956 113 2HG GLU 19 1HG GLU 19 5.380 -11.399 -4.201 114 H TYR 20 H TYR 20 5.377 -12.525 -2.547 115 HA TYR 20 HA TYR 20 4.665 -10.775 -0.274 116 1HB TYR 20 2HB TYR 20 6.295 -12.892 -0.342 117 2HB TYR 20 1HB TYR 20 7.475 -11.657 -0.782 118 HD1 TYR 20 1HD TYR 20 7.981 -9.788 0.752 119 HD2 TYR 20 2HD TYR 20 5.291 -12.947 1.861 120 HE1 TYR 20 1HE TYR 20 8.138 -9.088 3.126 121 HE2 TYR 20 2HE TYR 20 5.448 -12.249 4.235 122 HH TYR 20 HH TYR 20 6.359 -9.440 5.265 123 H ARG 21 H ARG 21 4.905 -8.603 -0.434 124 HA ARG 21 HA ARG 21 7.161 -7.493 -1.987 125 1HB ARG 21 2HB ARG 21 4.313 -7.337 -2.807 126 2HB ARG 21 1HB ARG 21 5.214 -5.823 -2.873 127 1HG ARG 21 2HG ARG 21 6.674 -6.600 -4.494 128 2HG ARG 21 1HG ARG 21 6.493 -8.283 -3.998 129 1HD ARG 21 2HD ARG 21 4.521 -6.601 -5.562 130 2HD ARG 21 1HD ARG 21 5.350 -8.063 -6.098 131 HE ARG 21 HE ARG 21 3.947 -8.935 -3.898 132 1HH1 ARG 21 1HH2 ARG 21 3.287 -7.484 -6.943 133 2HH1 ARG 21 2HH2 ARG 21 1.600 -7.881 -6.920 134 1HH2 ARG 21 1HH1 ARG 21 1.704 -9.295 -3.756 135 2HH2 ARG 21 2HH1 ARG 21 0.705 -8.905 -5.116 136 HA PRO 22 HA PRO 22 6.396 -5.169 1.843 137 1HB PRO 22 2HB PRO 22 9.071 -4.781 2.356 138 2HB PRO 22 1HB PRO 22 8.175 -6.224 2.862 139 1HG PRO 22 2HG PRO 22 10.144 -5.919 0.642 140 2HG PRO 22 1HG PRO 22 9.719 -7.364 1.574 141 1HD PRO 22 2HD PRO 22 8.817 -6.757 -1.037 142 2HD PRO 22 1HD PRO 22 8.145 -8.004 0.035 143 H LEU 23 H LEU 23 5.684 -3.158 1.165 144 HA LEU 23 HA LEU 23 7.609 -1.444 -0.358 145 1HB LEU 23 2HB LEU 23 4.667 -0.854 -0.090 146 2HB LEU 23 1HB LEU 23 5.782 -0.348 -1.360 147 HG LEU 23 HG LEU 23 4.736 -3.155 -0.880 148 1HD1 LEU 23 1HD1 LEU 23 3.484 -2.869 -2.850 149 2HD1 LEU 23 2HD1 LEU 23 4.470 -1.509 -3.388 150 3HD1 LEU 23 3HD1 LEU 23 3.330 -1.299 -2.060 151 1HD2 LEU 23 1HD2 LEU 23 6.575 -3.893 -1.954 152 2HD2 LEU 23 2HD2 LEU 23 7.171 -2.241 -2.120 153 3HD2 LEU 23 3HD2 LEU 23 6.111 -2.924 -3.354 154 H CYS 24 H CYS 24 8.410 0.312 0.718 155 HA CYS 24 HA CYS 24 7.349 0.886 3.414 156 1HB CYS 24 2HB CYS 24 9.866 0.786 2.693 157 2HB CYS 24 1HB CYS 24 9.576 2.416 2.087 158 H GLY 25 H GLY 25 5.293 1.784 2.708 159 1HA GLY 25 2HA GLY 25 4.806 3.780 0.850 160 2HA GLY 25 1HA GLY 25 3.949 3.697 2.389 161 H SER 26 H SER 26 4.864 6.097 0.891 162 HA SER 26 HA SER 26 7.162 7.325 1.912 163 1HB SER 26 2HB SER 26 4.462 8.401 1.151 164 2HB SER 26 1HB SER 26 5.699 9.480 1.792 165 HG SER 26 HG SER 26 7.088 8.450 0.123 166 H ASP 27 H ASP 27 4.318 6.421 3.654 167 HA ASP 27 HA ASP 27 4.828 8.289 5.873 168 1HB ASP 27 2HB ASP 27 2.878 7.265 6.906 169 2HB ASP 27 1HB ASP 27 2.511 7.601 5.215 170 H ASN 28 H ASN 28 6.809 6.174 5.035 171 HA ASN 28 HA ASN 28 8.224 4.608 6.051 172 1HB ASN 28 2HB ASN 28 8.163 6.710 7.671 173 2HB ASN 28 1HB ASN 28 7.331 5.578 8.742 174 1HD2 ASN 28 1HD2 ASN 28 8.653 4.173 9.925 175 2HD2 ASN 28 2HD2 ASN 28 10.294 3.885 9.599 176 H LYS 29 H LYS 29 5.621 3.659 5.417 177 HA LYS 29 HA LYS 29 5.081 1.845 7.737 178 1HB LYS 29 2HB LYS 29 3.194 3.350 7.057 179 2HB LYS 29 1HB LYS 29 3.193 2.561 5.480 180 1HG LYS 29 2HG LYS 29 1.756 1.074 6.399 181 2HG LYS 29 1HG LYS 29 3.163 0.424 7.240 182 1HD LYS 29 2HD LYS 29 2.751 1.892 9.147 183 2HD LYS 29 1HD LYS 29 1.402 2.653 8.300 184 1HE LYS 29 2HE LYS 29 -0.009 0.988 8.872 185 2HE LYS 29 1HE LYS 29 1.141 -0.251 8.365 186 1HZ LYS 29 1HZ LYS 29 0.736 0.948 10.994 187 2HZ LYS 29 2HZ LYS 29 2.334 0.566 10.561 188 3HZ LYS 29 3HZ LYS 29 1.144 -0.645 10.581 189 H THR 30 H THR 30 4.847 -0.394 7.301 190 HA THR 30 HA THR 30 6.061 -1.237 4.712 191 HB THR 30 HB THR 30 5.730 -2.713 7.341 192 HG1 THR 30 1HG THR 30 7.477 -1.598 7.684 193 1HG2 THR 30 1HG2 THR 30 5.570 -4.270 5.463 194 2HG2 THR 30 2HG2 THR 30 7.136 -4.455 6.253 195 3HG2 THR 30 3HG2 THR 30 7.016 -3.571 4.732 196 H TYR 31 H TYR 31 4.529 -1.743 3.213 197 HA TYR 31 HA TYR 31 1.920 -2.824 4.070 198 1HB TYR 31 2HB TYR 31 3.040 -1.848 1.437 199 2HB TYR 31 1HB TYR 31 1.470 -2.633 1.557 200 HD1 TYR 31 1HD TYR 31 3.468 0.137 3.084 201 HD2 TYR 31 2HD TYR 31 -0.431 -1.351 2.076 202 HE1 TYR 31 1HE TYR 31 2.458 2.281 3.810 203 HE2 TYR 31 2HE TYR 31 -1.441 0.790 2.808 204 HH TYR 31 HH TYR 31 -1.037 2.871 3.493 205 H GLY 32 H GLY 32 1.177 -4.892 3.397 206 1HA GLY 32 2HA GLY 32 3.190 -6.934 3.203 207 2HA GLY 32 1HA GLY 32 1.458 -7.187 2.983 208 H ASN 33 H ASN 33 1.392 -5.118 0.793 209 HA ASN 33 HA ASN 33 3.167 -5.894 -1.303 210 1HB ASN 33 2HB ASN 33 1.738 -7.328 -2.643 211 2HB ASN 33 1HB ASN 33 1.939 -8.056 -1.050 212 1HD2 ASN 33 1HD2 ASN 33 -0.297 -8.826 -2.517 213 2HD2 ASN 33 2HD2 ASN 33 -1.697 -8.146 -1.843 214 H LYS 34 H LYS 34 2.222 -5.197 -3.488 215 HA LYS 34 HA LYS 34 1.370 -2.503 -3.318 216 1HB LYS 34 2HB LYS 34 2.480 -3.860 -5.278 217 2HB LYS 34 1HB LYS 34 0.809 -4.157 -5.760 218 1HG LYS 34 2HG LYS 34 0.760 -1.467 -5.225 219 2HG LYS 34 1HG LYS 34 2.384 -1.671 -5.885 220 1HD LYS 34 2HD LYS 34 1.114 -1.333 -7.822 221 2HD LYS 34 1HD LYS 34 1.170 -3.093 -7.723 222 1HE LYS 34 2HE LYS 34 -1.037 -1.857 -6.206 223 2HE LYS 34 1HE LYS 34 -1.139 -1.638 -7.953 224 1HZ LYS 34 1HZ LYS 34 -1.772 -3.910 -6.499 225 2HZ LYS 34 2HZ LYS 34 -0.352 -4.283 -7.356 226 3HZ LYS 34 3HZ LYS 34 -1.733 -3.744 -8.186 227 H CYS 35 H CYS 35 -0.473 -5.384 -3.020 228 HA CYS 35 HA CYS 35 -2.971 -4.291 -4.038 229 1HB CYS 35 2HB CYS 35 -2.432 -6.760 -3.789 230 2HB CYS 35 1HB CYS 35 -2.602 -6.540 -2.049 231 H ASN 36 H ASN 36 -1.303 -4.449 -0.952 232 HA ASN 36 HA ASN 36 -3.534 -3.282 0.537 233 1HB ASN 36 2HB ASN 36 -1.290 -4.734 1.240 234 2HB ASN 36 1HB ASN 36 -0.844 -3.100 1.719 235 1HD2 ASN 36 1HD2 ASN 36 -3.823 -5.142 1.860 236 2HD2 ASN 36 2HD2 ASN 36 -4.205 -4.729 3.461 237 H PHE 37 H PHE 37 -0.830 -2.242 -1.334 238 HA PHE 37 HA PHE 37 -0.684 0.465 -0.257 239 1HB PHE 37 2HB PHE 37 1.205 -0.719 -1.462 240 2HB PHE 37 1HB PHE 37 0.274 -0.563 -2.951 241 HD1 PHE 37 1HD PHE 37 -0.203 1.677 -3.909 242 HD2 PHE 37 2HD PHE 37 2.293 1.186 -0.446 243 HE1 PHE 37 1HE PHE 37 0.658 3.983 -4.202 244 HE2 PHE 37 2HE PHE 37 3.153 3.495 -0.739 245 HZ PHE 37 HZ PHE 37 2.335 4.892 -2.618 246 H CYS 38 H CYS 38 -2.369 -1.200 -2.862 247 HA CYS 38 HA CYS 38 -3.433 1.201 -4.093 248 1HB CYS 38 2HB CYS 38 -3.843 -1.736 -4.340 249 2HB CYS 38 1HB CYS 38 -5.207 -0.722 -4.811 250 H CYS 39 H CYS 39 -4.279 -0.832 -1.394 251 HA CYS 39 HA CYS 39 -7.024 0.081 -1.150 252 1HB CYS 39 2HB CYS 39 -5.431 -1.890 0.064 253 2HB CYS 39 1HB CYS 39 -5.827 -0.758 1.358 254 H ALA 40 H ALA 40 -3.938 0.946 0.369 255 HA ALA 40 HA ALA 40 -5.023 2.955 2.114 256 1HB ALA 40 1HB ALA 40 -2.513 1.839 1.688 257 2HB ALA 40 2HB ALA 40 -2.866 3.177 2.781 258 3HB ALA 40 3HB ALA 40 -2.315 3.502 1.138 259 H VAL 41 H VAL 41 -4.190 2.858 -1.253 260 HA VAL 41 HA VAL 41 -4.107 5.739 -1.639 261 HB VAL 41 HB VAL 41 -4.321 3.372 -3.506 262 1HG1 VAL 41 1HG1 VAL 41 -4.459 6.330 -4.121 263 2HG1 VAL 41 2HG1 VAL 41 -5.552 5.055 -4.660 264 3HG1 VAL 41 3HG1 VAL 41 -3.916 5.151 -5.315 265 1HG2 VAL 41 1HG2 VAL 41 -2.158 5.374 -3.731 266 2HG2 VAL 41 2HG2 VAL 41 -2.068 3.612 -3.742 267 3HG2 VAL 41 3HG2 VAL 41 -2.177 4.480 -2.211 268 H VAL 42 H VAL 42 -6.588 3.233 -1.861 269 HA VAL 42 HA VAL 42 -8.560 5.135 -2.934 270 HB VAL 42 HB VAL 42 -8.696 2.226 -2.117 271 1HG1 VAL 42 1HG1 VAL 42 -10.911 4.133 -2.893 272 2HG1 VAL 42 2HG1 VAL 42 -10.844 3.054 -1.501 273 3HG1 VAL 42 3HG1 VAL 42 -11.055 2.390 -3.120 274 1HG2 VAL 42 1HG2 VAL 42 -8.282 1.871 -4.303 275 2HG2 VAL 42 2HG2 VAL 42 -8.016 3.605 -4.490 276 3HG2 VAL 42 3HG2 VAL 42 -9.620 2.925 -4.763 277 H GLU 43 H GLU 43 -7.371 4.306 0.140 278 HA GLU 43 HA GLU 43 -9.902 5.223 1.435 279 1HB GLU 43 2HB GLU 43 -9.200 4.122 3.422 280 2HB GLU 43 1HB GLU 43 -8.817 2.997 2.120 281 1HG GLU 43 2HG GLU 43 -6.702 2.972 2.896 282 2HG GLU 43 1HG GLU 43 -6.553 4.634 2.322 283 H SER 44 H SER 44 -6.805 6.245 0.541 284 HA SER 44 HA SER 44 -6.754 8.325 2.681 285 1HB SER 44 2HB SER 44 -4.440 8.489 2.366 286 2HB SER 44 1HB SER 44 -4.723 6.773 2.083 287 HG SER 44 HG SER 44 -3.873 7.145 0.201 288 H ASN 45 H ASN 45 -7.732 7.862 -0.491 289 HA ASN 45 HA ASN 45 -8.602 9.445 -2.008 290 1HB ASN 45 2HB ASN 45 -8.819 10.849 0.189 291 2HB ASN 45 1HB ASN 45 -7.380 11.678 -0.407 292 1HD2 ASN 45 1HD2 ASN 45 -10.759 10.875 -1.279 293 2HD2 ASN 45 2HD2 ASN 45 -10.939 12.142 -2.394 294 H GLY 46 H GLY 46 -5.702 8.406 -1.765 295 1HA GLY 46 2HA GLY 46 -3.948 8.514 -3.364 296 2HA GLY 46 1HA GLY 46 -4.708 9.949 -4.055 297 H THR 47 H THR 47 -4.474 10.211 -0.698 298 HA THR 47 HA THR 47 -2.427 12.287 -0.945 299 HB THR 47 HB THR 47 -4.421 12.431 0.606 300 HG1 THR 47 1HG THR 47 -3.216 13.753 1.678 301 1HG2 THR 47 1HG2 THR 47 -4.292 10.056 1.360 302 2HG2 THR 47 2HG2 THR 47 -4.336 11.197 2.704 303 3HG2 THR 47 3HG2 THR 47 -2.811 10.446 2.233 304 H LEU 48 H LEU 48 -2.612 8.968 0.179 305 HA LEU 48 HA LEU 48 0.003 9.002 1.470 306 1HB LEU 48 2HB LEU 48 -1.669 7.375 2.187 307 2HB LEU 48 1HB LEU 48 -1.769 6.715 0.554 308 HG LEU 48 HG LEU 48 0.950 6.817 1.728 309 1HD1 LEU 48 1HD1 LEU 48 -0.905 6.024 3.496 310 2HD1 LEU 48 2HD1 LEU 48 0.670 5.240 3.383 311 3HD1 LEU 48 3HD1 LEU 48 -0.734 4.515 2.599 312 1HD2 LEU 48 1HD2 LEU 48 1.231 4.837 0.465 313 2HD2 LEU 48 2HD2 LEU 48 0.127 5.803 -0.516 314 3HD2 LEU 48 3HD2 LEU 48 -0.497 4.484 0.474 315 H THR 49 H THR 49 1.921 7.928 0.602 316 HA THR 49 HA THR 49 1.830 7.416 -2.328 317 HB THR 49 HB THR 49 3.877 8.757 -2.650 318 HG1 THR 49 1HG THR 49 4.513 10.100 -0.900 319 1HG2 THR 49 1HG2 THR 49 2.717 10.714 -2.884 320 2HG2 THR 49 2HG2 THR 49 2.086 10.658 -1.238 321 3HG2 THR 49 3HG2 THR 49 1.349 9.670 -2.499 322 H LEU 50 H LEU 50 4.632 7.106 -2.584 323 HA LEU 50 HA LEU 50 5.102 4.636 -0.971 324 1HB LEU 50 2HB LEU 50 4.723 4.124 -3.321 325 2HB LEU 50 1HB LEU 50 5.882 5.354 -3.815 326 HG LEU 50 HG LEU 50 7.529 3.941 -2.290 327 1HD1 LEU 50 1HD1 LEU 50 6.970 1.495 -2.575 328 2HD1 LEU 50 2HD1 LEU 50 5.355 1.986 -3.087 329 3HD1 LEU 50 3HD1 LEU 50 5.910 2.347 -1.453 330 1HD2 LEU 50 1HD2 LEU 50 8.175 4.130 -4.509 331 2HD2 LEU 50 2HD2 LEU 50 6.620 3.565 -5.117 332 3HD2 LEU 50 3HD2 LEU 50 7.780 2.412 -4.457 333 H SER 51 H SER 51 7.314 4.286 -0.291 334 HA SER 51 HA SER 51 8.977 6.773 -0.360 335 1HB SER 51 2HB SER 51 7.992 5.654 1.880 336 2HB SER 51 1HB SER 51 9.465 4.703 1.725 337 HG SER 51 HG SER 51 10.624 6.426 2.137 338 H HIS 52 H HIS 52 9.133 3.198 -0.339 339 HA HIS 52 HA HIS 52 11.095 3.047 -2.373 340 1HB HIS 52 2HB HIS 52 13.129 2.568 -1.122 341 2HB HIS 52 1HB HIS 52 12.534 4.161 -0.656 342 HD1 HIS 52 1HD HIS 52 13.180 0.750 0.666 343 HD2 HIS 52 2HD HIS 52 11.290 4.231 1.966 344 HE1 HIS 52 1HE HIS 52 12.811 0.479 3.157 345 H PHE 53 H PHE 53 10.221 1.147 -3.088 346 HA PHE 53 HA PHE 53 8.976 -0.894 -1.717 347 1HB PHE 53 2HB PHE 53 10.937 -1.226 -4.009 348 2HB PHE 53 1HB PHE 53 9.728 -2.404 -3.519 349 HD1 PHE 53 1HD PHE 53 10.186 -0.625 -6.178 350 HD2 PHE 53 2HD PHE 53 7.456 -0.545 -2.862 351 HE1 PHE 53 1HE PHE 53 8.498 0.510 -7.596 352 HE2 PHE 53 2HE PHE 53 5.769 0.592 -4.280 353 HZ PHE 53 HZ PHE 53 6.289 1.120 -6.647 354 H GLY 54 H GLY 54 9.766 -1.665 0.232 355 1HA GLY 54 2HA GLY 54 11.694 -3.603 0.486 356 2HA GLY 54 1HA GLY 54 12.630 -2.114 0.632 357 H LYS 55 H LYS 55 11.994 -4.212 2.684 358 HA LYS 55 HA LYS 55 10.071 -3.487 4.562 359 1HB LYS 55 2HB LYS 55 12.343 -5.132 4.551 360 2HB LYS 55 1HB LYS 55 12.603 -4.017 5.893 361 1HG LYS 55 2HG LYS 55 10.585 -4.655 6.962 362 2HG LYS 55 1HG LYS 55 9.965 -5.436 5.506 363 1HD LYS 55 2HD LYS 55 11.944 -7.041 5.690 364 2HD LYS 55 1HD LYS 55 12.210 -6.377 7.302 365 1HE LYS 55 2HE LYS 55 10.800 -8.106 7.870 366 2HE LYS 55 1HE LYS 55 9.586 -6.879 7.512 367 1HZ LYS 55 1HZ LYS 55 9.625 -9.280 6.377 368 2HZ LYS 55 2HZ LYS 55 10.547 -8.413 5.245 369 3HZ LYS 55 3HZ LYS 55 8.971 -7.906 5.627 370 H CYS 56 H CYS 56 9.776 -1.756 5.924 371 HA CYS 56 HA CYS 56 11.367 0.623 5.555 372 1HB CYS 56 2HB CYS 56 9.305 -0.081 7.665 373 2HB CYS 56 1HB CYS 56 9.989 1.529 7.434 Start of MODEL 8 1 1H ALA 3 1HT ALA 3 9.043 7.464 -9.331 2 2H ALA 3 2HT ALA 3 10.038 6.931 -10.602 3 3H ALA 3 3HT ALA 3 10.692 7.178 -9.053 4 HA ALA 3 HA ALA 3 9.436 4.866 -10.131 5 1HB ALA 3 1HB ALA 3 11.450 4.467 -9.049 6 2HB ALA 3 2HB ALA 3 10.317 4.088 -7.753 7 3HB ALA 3 3HB ALA 3 11.126 5.654 -7.787 8 H VAL 4 H VAL 4 7.280 6.491 -9.755 9 HA VAL 4 HA VAL 4 5.977 5.274 -7.357 10 HB VAL 4 HB VAL 4 4.668 7.377 -7.107 11 1HG1 VAL 4 1HG1 VAL 4 7.498 7.008 -6.599 12 2HG1 VAL 4 2HG1 VAL 4 6.285 7.805 -5.596 13 3HG1 VAL 4 3HG1 VAL 4 7.134 8.717 -6.845 14 1HG2 VAL 4 1HG2 VAL 4 5.411 7.894 -9.668 15 2HG2 VAL 4 2HG2 VAL 4 6.592 8.876 -8.801 16 3HG2 VAL 4 3HG2 VAL 4 4.867 9.145 -8.550 17 H SER 5 H SER 5 5.486 3.732 -9.279 18 HA SER 5 HA SER 5 3.264 4.768 -10.968 19 1HB SER 5 2HB SER 5 3.564 2.569 -12.175 20 2HB SER 5 1HB SER 5 4.976 3.621 -12.222 21 HG SER 5 HG SER 5 5.569 1.510 -11.648 22 H VAL 6 H VAL 6 1.464 4.686 -9.620 23 HA VAL 6 HA VAL 6 0.573 1.962 -8.847 24 HB VAL 6 HB VAL 6 1.591 2.832 -6.809 25 1HG1 VAL 6 1HG1 VAL 6 0.356 5.306 -7.769 26 2HG1 VAL 6 2HG1 VAL 6 1.707 5.087 -6.658 27 3HG1 VAL 6 3HG1 VAL 6 0.050 5.015 -6.058 28 1HG2 VAL 6 1HG2 VAL 6 -0.143 2.129 -5.526 29 2HG2 VAL 6 2HG2 VAL 6 -1.026 1.959 -7.043 30 3HG2 VAL 6 3HG2 VAL 6 -1.191 3.432 -6.087 31 H ASP 7 H ASP 7 -1.658 1.722 -9.051 32 HA ASP 7 HA ASP 7 -3.301 4.161 -9.452 33 1HB ASP 7 2HB ASP 7 -4.339 2.878 -11.473 34 2HB ASP 7 1HB ASP 7 -2.817 3.736 -11.713 35 H CYS 8 H CYS 8 -5.143 3.923 -8.289 36 HA CYS 8 HA CYS 8 -6.212 1.161 -7.904 37 1HB CYS 8 2HB CYS 8 -6.514 3.197 -5.723 38 2HB CYS 8 1HB CYS 8 -6.478 1.438 -5.609 39 H SER 9 H SER 9 -7.011 3.133 -9.843 40 HA SER 9 HA SER 9 -9.147 4.798 -9.212 41 1HB SER 9 2HB SER 9 -8.103 4.345 -11.515 42 2HB SER 9 1HB SER 9 -9.193 2.965 -11.617 43 HG SER 9 HG SER 9 -9.866 5.705 -11.284 44 H GLU 10 H GLU 10 -10.335 3.885 -7.489 45 HA GLU 10 HA GLU 10 -12.171 2.726 -6.584 46 1HB GLU 10 2HB GLU 10 -12.592 2.615 -9.517 47 2HB GLU 10 1HB GLU 10 -13.439 1.382 -8.585 48 1HG GLU 10 2HG GLU 10 -13.752 3.792 -7.147 49 2HG GLU 10 1HG GLU 10 -14.049 4.193 -8.839 50 H TYR 11 H TYR 11 -10.077 1.426 -5.903 51 HA TYR 11 HA TYR 11 -10.651 -1.416 -6.545 52 1HB TYR 11 2HB TYR 11 -8.798 -0.605 -8.048 53 2HB TYR 11 1HB TYR 11 -7.843 -0.281 -6.601 54 HD1 TYR 11 1HD TYR 11 -9.674 -2.982 -8.416 55 HD2 TYR 11 2HD TYR 11 -6.664 -2.015 -5.510 56 HE1 TYR 11 1HE TYR 11 -8.994 -5.365 -8.328 57 HE2 TYR 11 2HE TYR 11 -5.981 -4.398 -5.424 58 HH TYR 11 HH TYR 11 -6.122 -6.393 -6.643 59 HA PRO 12 HA PRO 12 -9.754 -0.538 -2.066 60 1HB PRO 12 2HB PRO 12 -12.235 -1.303 -1.147 61 2HB PRO 12 1HB PRO 12 -11.825 0.363 -1.594 62 1HG PRO 12 2HG PRO 12 -13.464 -1.634 -3.090 63 2HG PRO 12 1HG PRO 12 -13.551 0.136 -3.115 64 1HD PRO 12 2HD PRO 12 -12.339 -1.471 -5.091 65 2HD PRO 12 1HD PRO 12 -12.107 0.280 -4.894 66 H LYS 13 H LYS 13 -8.712 -2.243 -1.108 67 HA LYS 13 HA LYS 13 -9.940 -4.835 -0.781 68 1HB LYS 13 2HB LYS 13 -8.451 -4.360 -3.212 69 2HB LYS 13 1HB LYS 13 -7.636 -5.580 -2.231 70 1HG LYS 13 2HG LYS 13 -9.382 -7.066 -2.381 71 2HG LYS 13 1HG LYS 13 -10.595 -5.790 -2.483 72 1HD LYS 13 2HD LYS 13 -9.972 -5.318 -4.790 73 2HD LYS 13 1HD LYS 13 -8.653 -6.487 -4.705 74 1HE LYS 13 2HE LYS 13 -11.540 -7.250 -4.219 75 2HE LYS 13 1HE LYS 13 -10.794 -7.322 -5.814 76 1HZ LYS 13 1HZ LYS 13 -10.530 -9.445 -4.897 77 2HZ LYS 13 2HZ LYS 13 -10.058 -8.838 -3.381 78 3HZ LYS 13 3HZ LYS 13 -9.013 -8.707 -4.715 79 H CYS 14 H CYS 14 -9.282 -4.698 1.362 80 HA CYS 14 HA CYS 14 -6.343 -4.469 1.849 81 1HB CYS 14 2HB CYS 14 -8.481 -4.203 3.960 82 2HB CYS 14 1HB CYS 14 -6.830 -3.582 3.983 83 H ALA 15 H ALA 15 -7.297 -6.924 0.942 84 HA ALA 15 HA ALA 15 -6.783 -8.604 3.330 85 1HB ALA 15 1HB ALA 15 -9.188 -8.626 3.265 86 2HB ALA 15 2HB ALA 15 -8.649 -10.159 2.579 87 3HB ALA 15 3HB ALA 15 -9.198 -8.862 1.517 88 H CYS 16 H CYS 16 -4.849 -8.204 1.538 89 HA CYS 16 HA CYS 16 -4.938 -10.606 -0.246 90 1HB CYS 16 2HB CYS 16 -3.419 -8.008 -0.632 91 2HB CYS 16 1HB CYS 16 -3.312 -9.413 -1.692 92 H THR 17 H THR 17 -2.999 -11.863 -0.349 93 HA THR 17 HA THR 17 -0.692 -11.144 1.299 94 HB THR 17 HB THR 17 -2.328 -12.019 2.981 95 HG1 THR 17 1HG THR 17 -0.172 -12.339 3.404 96 1HG2 THR 17 1HG2 THR 17 -2.062 -14.801 2.163 97 2HG2 THR 17 2HG2 THR 17 -2.921 -13.843 0.957 98 3HG2 THR 17 3HG2 THR 17 -3.510 -13.903 2.618 99 H MET 18 H MET 18 -1.439 -12.022 -1.492 100 HA MET 18 HA MET 18 0.130 -14.552 -1.635 101 1HB MET 18 2HB MET 18 -1.341 -13.337 -3.960 102 2HB MET 18 1HB MET 18 -0.952 -15.031 -3.660 103 1HG MET 18 2HG MET 18 -2.615 -15.214 -1.956 104 2HG MET 18 1HG MET 18 -2.830 -13.466 -1.881 105 1HE MET 18 1HE MET 18 -5.533 -13.655 -2.201 106 2HE MET 18 2HE MET 18 -5.803 -12.929 -3.784 107 3HE MET 18 3HE MET 18 -4.504 -12.330 -2.758 108 H GLU 19 H GLU 19 -0.253 -11.553 -3.534 109 HA GLU 19 HA GLU 19 2.249 -11.796 -4.889 110 1HB GLU 19 2HB GLU 19 0.187 -10.187 -5.286 111 2HB GLU 19 1HB GLU 19 1.105 -9.100 -4.242 112 1HG GLU 19 2HG GLU 19 2.110 -8.494 -6.201 113 2HG GLU 19 1HG GLU 19 3.074 -9.944 -5.917 114 H TYR 20 H TYR 20 4.305 -10.963 -4.376 115 HA TYR 20 HA TYR 20 4.622 -10.115 -1.527 116 1HB TYR 20 2HB TYR 20 5.835 -12.203 -2.639 117 2HB TYR 20 1HB TYR 20 6.944 -10.954 -3.205 118 HD1 TYR 20 1HD TYR 20 6.069 -13.061 -0.464 119 HD2 TYR 20 2HD TYR 20 7.797 -9.249 -1.428 120 HE1 TYR 20 1HE TYR 20 7.136 -12.979 1.772 121 HE2 TYR 20 2HE TYR 20 8.863 -9.168 0.810 122 HH TYR 20 HH TYR 20 9.097 -10.173 2.772 123 H ARG 21 H ARG 21 4.882 -7.970 -1.326 124 HA ARG 21 HA ARG 21 6.914 -6.550 -2.841 125 1HB ARG 21 2HB ARG 21 4.196 -6.540 -3.820 126 2HB ARG 21 1HB ARG 21 4.653 -4.917 -3.303 127 1HG ARG 21 2HG ARG 21 6.022 -4.658 -5.074 128 2HG ARG 21 1HG ARG 21 6.822 -6.196 -4.749 129 1HD ARG 21 2HD ARG 21 4.097 -6.057 -6.044 130 2HD ARG 21 1HD ARG 21 5.584 -6.000 -6.990 131 HE ARG 21 HE ARG 21 4.705 -8.321 -5.336 132 1HH1 ARG 21 1HH2 ARG 21 7.647 -7.313 -6.281 133 2HH1 ARG 21 2HH2 ARG 21 7.963 -8.571 -7.429 134 1HH2 ARG 21 1HH1 ARG 21 4.704 -9.755 -7.428 135 2HH2 ARG 21 2HH1 ARG 21 6.297 -9.954 -8.077 136 HA PRO 22 HA PRO 22 6.061 -4.853 1.312 137 1HB PRO 22 2HB PRO 22 8.719 -4.678 1.993 138 2HB PRO 22 1HB PRO 22 7.741 -6.135 2.235 139 1HG PRO 22 2HG PRO 22 9.825 -5.594 0.168 140 2HG PRO 22 1HG PRO 22 9.305 -7.141 0.861 141 1HD PRO 22 2HD PRO 22 8.548 -6.131 -1.668 142 2HD PRO 22 1HD PRO 22 7.772 -7.479 -0.811 143 H LEU 23 H LEU 23 5.374 -2.814 0.396 144 HA LEU 23 HA LEU 23 7.516 -0.999 -0.582 145 1HB LEU 23 2HB LEU 23 4.576 -0.334 -0.450 146 2HB LEU 23 1HB LEU 23 5.802 0.348 -1.522 147 HG LEU 23 HG LEU 23 4.583 -2.429 -1.610 148 1HD1 LEU 23 1HD1 LEU 23 4.042 0.039 -2.916 149 2HD1 LEU 23 2HD1 LEU 23 3.314 -1.534 -3.237 150 3HD1 LEU 23 3HD1 LEU 23 4.760 -1.036 -4.116 151 1HD2 LEU 23 1HD2 LEU 23 6.388 -1.973 -3.778 152 2HD2 LEU 23 2HD2 LEU 23 6.481 -3.218 -2.532 153 3HD2 LEU 23 3HD2 LEU 23 7.261 -1.657 -2.280 154 H CYS 24 H CYS 24 8.253 0.689 0.633 155 HA CYS 24 HA CYS 24 7.116 1.012 3.346 156 1HB CYS 24 2HB CYS 24 9.640 1.842 1.963 157 2HB CYS 24 1HB CYS 24 9.079 2.825 3.316 158 H GLY 25 H GLY 25 5.086 1.951 2.613 159 1HA GLY 25 2HA GLY 25 4.682 4.066 0.872 160 2HA GLY 25 1HA GLY 25 3.714 3.837 2.325 161 H SER 26 H SER 26 4.560 6.345 1.105 162 HA SER 26 HA SER 26 6.717 7.654 2.331 163 1HB SER 26 2HB SER 26 5.086 8.563 0.584 164 2HB SER 26 1HB SER 26 4.017 8.945 1.930 165 HG SER 26 HG SER 26 5.804 10.498 1.068 166 H ASP 27 H ASP 27 3.844 6.454 3.827 167 HA ASP 27 HA ASP 27 4.063 8.242 6.155 168 1HB ASP 27 2HB ASP 27 2.178 6.902 7.043 169 2HB ASP 27 1HB ASP 27 1.844 7.490 5.415 170 H ASN 28 H ASN 28 6.236 6.267 5.333 171 HA ASN 28 HA ASN 28 7.742 4.835 6.416 172 1HB ASN 28 2HB ASN 28 7.609 6.732 8.092 173 2HB ASN 28 1HB ASN 28 6.392 5.789 8.954 174 1HD2 ASN 28 1HD2 ASN 28 9.762 5.485 7.701 175 2HD2 ASN 28 2HD2 ASN 28 10.282 4.440 8.933 176 H LYS 29 H LYS 29 5.185 3.766 5.550 177 HA LYS 29 HA LYS 29 4.783 1.659 7.640 178 1HB LYS 29 2HB LYS 29 2.858 3.302 6.644 179 2HB LYS 29 1HB LYS 29 2.745 1.953 5.513 180 1HG LYS 29 2HG LYS 29 2.869 0.526 7.758 181 2HG LYS 29 1HG LYS 29 2.215 2.010 8.455 182 1HD LYS 29 2HD LYS 29 0.258 1.906 7.170 183 2HD LYS 29 1HD LYS 29 0.991 0.843 5.967 184 1HE LYS 29 2HE LYS 29 0.138 -0.925 7.066 185 2HE LYS 29 1HE LYS 29 1.151 -0.516 8.450 186 1HZ LYS 29 1HZ LYS 29 -1.524 -0.529 8.492 187 2HZ LYS 29 2HZ LYS 29 -1.221 1.108 8.150 188 3HZ LYS 29 3HZ LYS 29 -0.561 0.392 9.542 189 H THR 30 H THR 30 4.610 -0.539 6.879 190 HA THR 30 HA THR 30 5.784 -0.915 4.151 191 HB THR 30 HB THR 30 6.043 -2.627 6.642 192 HG1 THR 30 1HG THR 30 7.938 -1.731 6.793 193 1HG2 THR 30 1HG2 THR 30 7.374 -4.143 5.300 194 2HG2 THR 30 2HG2 THR 30 7.220 -3.095 3.889 195 3HG2 THR 30 3HG2 THR 30 5.807 -3.945 4.516 196 H TYR 31 H TYR 31 4.179 -1.548 2.785 197 HA TYR 31 HA TYR 31 1.876 -3.057 3.824 198 1HB TYR 31 2HB TYR 31 2.540 -1.980 1.070 199 2HB TYR 31 1HB TYR 31 1.027 -2.767 1.499 200 HD1 TYR 31 1HD TYR 31 2.859 0.318 1.488 201 HD2 TYR 31 2HD TYR 31 -0.344 -1.774 3.440 202 HE1 TYR 31 1HE TYR 31 1.996 2.466 2.375 203 HE2 TYR 31 2HE TYR 31 -1.208 0.374 4.327 204 HH TYR 31 HH TYR 31 -0.202 2.679 4.859 205 H GLY 32 H GLY 32 1.464 -5.200 3.332 206 1HA GLY 32 2HA GLY 32 3.654 -6.925 2.756 207 2HA GLY 32 1HA GLY 32 1.961 -7.411 2.738 208 H ASN 33 H ASN 33 1.344 -5.345 0.631 209 HA ASN 33 HA ASN 33 2.949 -6.006 -1.683 210 1HB ASN 33 2HB ASN 33 1.015 -7.224 -2.847 211 2HB ASN 33 1HB ASN 33 1.903 -8.144 -1.631 212 1HD2 ASN 33 1HD2 ASN 33 0.315 -9.427 -0.639 213 2HD2 ASN 33 2HD2 ASN 33 -1.137 -8.828 0.005 214 H LYS 34 H LYS 34 1.737 -5.248 -3.721 215 HA LYS 34 HA LYS 34 0.915 -2.557 -3.378 216 1HB LYS 34 2HB LYS 34 1.792 -3.873 -5.497 217 2HB LYS 34 1HB LYS 34 0.069 -4.112 -5.796 218 1HG LYS 34 2HG LYS 34 0.524 -1.375 -5.037 219 2HG LYS 34 1HG LYS 34 1.617 -1.799 -6.355 220 1HD LYS 34 2HD LYS 34 -1.400 -2.063 -6.314 221 2HD LYS 34 1HD LYS 34 -0.429 -1.027 -7.361 222 1HE LYS 34 2HE LYS 34 0.514 -3.717 -7.633 223 2HE LYS 34 1HE LYS 34 -1.238 -3.720 -7.827 224 1HZ LYS 34 1HZ LYS 34 -1.116 -2.177 -9.563 225 2HZ LYS 34 2HZ LYS 34 0.136 -3.279 -9.885 226 3HZ LYS 34 3HZ LYS 34 0.490 -1.759 -9.213 227 H CYS 35 H CYS 35 -0.847 -5.431 -2.859 228 HA CYS 35 HA CYS 35 -3.458 -4.349 -3.591 229 1HB CYS 35 2HB CYS 35 -3.082 -6.794 -3.494 230 2HB CYS 35 1HB CYS 35 -2.744 -6.668 -1.768 231 H ASN 36 H ASN 36 -1.431 -4.508 -0.729 232 HA ASN 36 HA ASN 36 -3.485 -3.342 1.009 233 1HB ASN 36 2HB ASN 36 -1.172 -4.839 1.424 234 2HB ASN 36 1HB ASN 36 -0.722 -3.222 1.960 235 1HD2 ASN 36 1HD2 ASN 36 -3.282 -5.707 2.383 236 2HD2 ASN 36 2HD2 ASN 36 -3.696 -5.234 3.959 237 H PHE 37 H PHE 37 -0.899 -2.307 -1.058 238 HA PHE 37 HA PHE 37 -0.599 0.342 0.107 239 1HB PHE 37 2HB PHE 37 1.172 -0.811 -1.284 240 2HB PHE 37 1HB PHE 37 0.132 -0.586 -2.690 241 HD1 PHE 37 1HD PHE 37 -0.113 1.553 -3.748 242 HD2 PHE 37 2HD PHE 37 2.063 1.201 -0.061 243 HE1 PHE 37 1HE PHE 37 0.719 3.873 -4.019 244 HE2 PHE 37 2HE PHE 37 2.898 3.528 -0.330 245 HZ PHE 37 HZ PHE 37 2.223 4.859 -2.312 246 H CYS 38 H CYS 38 -2.367 -1.053 -2.638 247 HA CYS 38 HA CYS 38 -3.480 1.483 -3.495 248 1HB CYS 38 2HB CYS 38 -3.666 -1.327 -4.296 249 2HB CYS 38 1HB CYS 38 -5.222 -0.505 -4.381 250 H CYS 39 H CYS 39 -4.253 -0.874 -1.069 251 HA CYS 39 HA CYS 39 -7.032 -0.064 -0.754 252 1HB CYS 39 2HB CYS 39 -6.852 -2.153 0.181 253 2HB CYS 39 1HB CYS 39 -5.150 -1.937 0.571 254 H ALA 40 H ALA 40 -3.974 0.636 0.915 255 HA ALA 40 HA ALA 40 -5.140 2.461 2.818 256 1HB ALA 40 1HB ALA 40 -2.569 3.319 2.626 257 2HB ALA 40 2HB ALA 40 -2.409 1.700 1.944 258 3HB ALA 40 3HB ALA 40 -3.051 1.912 3.573 259 H VAL 41 H VAL 41 -3.989 2.745 -0.475 260 HA VAL 41 HA VAL 41 -3.938 5.652 -0.493 261 HB VAL 41 HB VAL 41 -4.010 3.599 -2.723 262 1HG1 VAL 41 1HG1 VAL 41 -4.750 6.287 -2.903 263 2HG1 VAL 41 2HG1 VAL 41 -4.248 5.253 -4.241 264 3HG1 VAL 41 3HG1 VAL 41 -3.065 6.268 -3.419 265 1HG2 VAL 41 1HG2 VAL 41 -1.807 3.454 -2.267 266 2HG2 VAL 41 2HG2 VAL 41 -1.948 4.694 -1.022 267 3HG2 VAL 41 3HG2 VAL 41 -1.645 5.155 -2.698 268 H VAL 42 H VAL 42 -6.294 3.151 -1.328 269 HA VAL 42 HA VAL 42 -8.237 4.904 -2.500 270 HB VAL 42 HB VAL 42 -8.322 2.160 -1.260 271 1HG1 VAL 42 1HG1 VAL 42 -10.777 2.100 -1.837 272 2HG1 VAL 42 2HG1 VAL 42 -10.718 3.853 -2.013 273 3HG1 VAL 42 3HG1 VAL 42 -10.386 3.112 -0.448 274 1HG2 VAL 42 1HG2 VAL 42 -7.962 3.206 -3.832 275 2HG2 VAL 42 2HG2 VAL 42 -9.617 2.597 -3.827 276 3HG2 VAL 42 3HG2 VAL 42 -8.280 1.521 -3.420 277 H GLU 43 H GLU 43 -7.396 4.081 0.809 278 HA GLU 43 HA GLU 43 -9.738 5.198 2.059 279 1HB GLU 43 2HB GLU 43 -6.928 4.608 2.990 280 2HB GLU 43 1HB GLU 43 -8.060 5.460 4.040 281 1HG GLU 43 2HG GLU 43 -9.119 3.024 2.724 282 2HG GLU 43 1HG GLU 43 -7.873 2.755 3.942 283 H SER 44 H SER 44 -6.598 6.523 1.083 284 HA SER 44 HA SER 44 -7.408 9.217 2.005 285 1HB SER 44 2HB SER 44 -4.912 7.871 1.566 286 2HB SER 44 1HB SER 44 -4.968 9.301 0.540 287 HG SER 44 HG SER 44 -5.692 10.424 2.499 288 H ASN 45 H ASN 45 -7.958 7.339 -0.662 289 HA ASN 45 HA ASN 45 -8.853 7.868 -2.760 290 1HB ASN 45 2HB ASN 45 -9.341 10.147 -1.162 291 2HB ASN 45 1HB ASN 45 -8.702 10.743 -2.694 292 1HD2 ASN 45 1HD2 ASN 45 -11.086 8.297 -1.514 293 2HD2 ASN 45 2HD2 ASN 45 -12.201 8.570 -2.764 294 H GLY 46 H GLY 46 -5.813 8.173 -1.904 295 1HA GLY 46 2HA GLY 46 -4.142 7.997 -3.745 296 2HA GLY 46 1HA GLY 46 -4.995 9.317 -4.545 297 H THR 47 H THR 47 -4.918 9.854 -1.231 298 HA THR 47 HA THR 47 -3.023 12.040 -1.549 299 HB THR 47 HB THR 47 -4.211 11.034 1.039 300 HG1 THR 47 1HG THR 47 -5.426 13.020 -0.505 301 1HG2 THR 47 1HG2 THR 47 -4.182 13.597 1.390 302 2HG2 THR 47 2HG2 THR 47 -3.088 13.624 0.006 303 3HG2 THR 47 3HG2 THR 47 -2.647 12.733 1.463 304 H LEU 48 H LEU 48 -3.087 8.903 0.103 305 HA LEU 48 HA LEU 48 -0.616 9.129 1.482 306 1HB LEU 48 2HB LEU 48 -2.444 7.218 1.465 307 2HB LEU 48 1HB LEU 48 -1.414 6.527 0.213 308 HG LEU 48 HG LEU 48 0.500 6.530 1.709 309 1HD1 LEU 48 1HD1 LEU 48 -0.044 7.178 4.179 310 2HD1 LEU 48 2HD1 LEU 48 -1.374 8.095 3.471 311 3HD1 LEU 48 3HD1 LEU 48 0.290 8.466 3.022 312 1HD2 LEU 48 1HD2 LEU 48 -1.334 4.718 1.857 313 2HD2 LEU 48 2HD2 LEU 48 -1.819 5.512 3.355 314 3HD2 LEU 48 3HD2 LEU 48 -0.202 4.826 3.206 315 H THR 49 H THR 49 1.523 8.457 0.845 316 HA THR 49 HA THR 49 1.900 8.294 -2.117 317 HB THR 49 HB THR 49 4.154 9.474 -1.500 318 HG1 THR 49 1HG THR 49 2.579 10.691 0.447 319 1HG2 THR 49 1HG2 THR 49 2.169 10.343 -2.857 320 2HG2 THR 49 2HG2 THR 49 3.183 11.562 -2.086 321 3HG2 THR 49 3HG2 THR 49 1.634 11.123 -1.368 322 H LEU 50 H LEU 50 4.627 7.852 -2.135 323 HA LEU 50 HA LEU 50 4.989 5.327 -0.569 324 1HB LEU 50 2HB LEU 50 4.441 4.729 -2.867 325 2HB LEU 50 1HB LEU 50 5.642 5.863 -3.486 326 HG LEU 50 HG LEU 50 7.234 4.419 -1.872 327 1HD1 LEU 50 1HD1 LEU 50 4.770 2.851 -2.223 328 2HD1 LEU 50 2HD1 LEU 50 6.073 2.651 -1.050 329 3HD1 LEU 50 3HD1 LEU 50 6.235 1.979 -2.672 330 1HD2 LEU 50 1HD2 LEU 50 6.330 3.879 -4.701 331 2HD2 LEU 50 2HD2 LEU 50 7.639 2.958 -3.960 332 3HD2 LEU 50 3HD2 LEU 50 7.792 4.703 -4.160 333 H SER 51 H SER 51 7.144 4.986 0.135 334 HA SER 51 HA SER 51 8.908 7.380 -0.097 335 1HB SER 51 2HB SER 51 9.680 5.259 1.796 336 2HB SER 51 1HB SER 51 9.567 6.998 2.043 337 HG SER 51 HG SER 51 7.871 6.353 3.158 338 H HIS 52 H HIS 52 8.974 3.817 -0.283 339 HA HIS 52 HA HIS 52 10.746 3.742 -2.492 340 1HB HIS 52 2HB HIS 52 12.842 3.027 -1.367 341 2HB HIS 52 1HB HIS 52 12.412 4.687 -0.959 342 HD1 HIS 52 1HD HIS 52 12.672 1.247 0.499 343 HD2 HIS 52 2HD HIS 52 11.540 5.062 1.743 344 HE1 HIS 52 1HE HIS 52 12.510 1.160 3.026 345 H PHE 53 H PHE 53 9.716 1.931 -3.238 346 HA PHE 53 HA PHE 53 8.528 -0.146 -1.872 347 1HB PHE 53 2HB PHE 53 10.275 -0.615 -4.297 348 2HB PHE 53 1HB PHE 53 8.841 -1.511 -3.818 349 HD1 PHE 53 1HD PHE 53 10.046 0.991 -5.956 350 HD2 PHE 53 2HD PHE 53 6.655 0.022 -3.503 351 HE1 PHE 53 1HE PHE 53 8.635 2.524 -7.301 352 HE2 PHE 53 2HE PHE 53 5.245 1.556 -4.846 353 HZ PHE 53 HZ PHE 53 6.235 2.807 -6.746 354 H GLY 54 H GLY 54 9.509 -0.974 -0.024 355 1HA GLY 54 2HA GLY 54 11.465 -2.981 -0.199 356 2HA GLY 54 1HA GLY 54 12.335 -1.494 0.173 357 H LYS 55 H LYS 55 12.262 -3.644 1.985 358 HA LYS 55 HA LYS 55 10.191 -3.273 3.973 359 1HB LYS 55 2HB LYS 55 11.763 -4.613 5.432 360 2HB LYS 55 1HB LYS 55 11.341 -5.391 3.907 361 1HG LYS 55 2HG LYS 55 13.440 -4.954 2.954 362 2HG LYS 55 1HG LYS 55 13.793 -3.656 4.094 363 1HD LYS 55 2HD LYS 55 14.269 -5.155 5.848 364 2HD LYS 55 1HD LYS 55 13.424 -6.486 5.059 365 1HE LYS 55 2HE LYS 55 15.434 -7.154 4.279 366 2HE LYS 55 1HE LYS 55 15.387 -5.745 3.219 367 1HZ LYS 55 1HZ LYS 55 16.258 -4.544 5.341 368 2HZ LYS 55 2HZ LYS 55 17.332 -5.396 4.336 369 3HZ LYS 55 3HZ LYS 55 16.775 -6.098 5.779 370 H CYS 56 H CYS 56 10.083 -1.709 5.504 371 HA CYS 56 HA CYS 56 11.990 0.434 5.597 372 1HB CYS 56 2HB CYS 56 9.643 -0.390 7.288 373 2HB CYS 56 1HB CYS 56 10.697 0.920 7.824 Start of MODEL 9 1 1H ALA 3 1HT ALA 3 3.986 9.301 -5.399 2 2H ALA 3 2HT ALA 3 3.199 10.742 -5.835 3 3H ALA 3 3HT ALA 3 4.532 10.194 -6.734 4 HA ALA 3 HA ALA 3 2.348 8.305 -6.535 5 1HB ALA 3 1HB ALA 3 2.031 11.055 -7.682 6 2HB ALA 3 2HB ALA 3 0.839 10.036 -6.874 7 3HB ALA 3 3HB ALA 3 1.303 9.698 -8.542 8 H VAL 4 H VAL 4 4.746 7.506 -7.116 9 HA VAL 4 HA VAL 4 4.951 7.568 -10.102 10 HB VAL 4 HB VAL 4 7.344 7.391 -9.914 11 1HG1 VAL 4 1HG1 VAL 4 6.711 9.663 -9.731 12 2HG1 VAL 4 2HG1 VAL 4 7.820 9.421 -8.382 13 3HG1 VAL 4 3HG1 VAL 4 6.080 9.443 -8.100 14 1HG2 VAL 4 1HG2 VAL 4 6.677 6.751 -7.066 15 2HG2 VAL 4 2HG2 VAL 4 8.218 7.538 -7.406 16 3HG2 VAL 4 3HG2 VAL 4 7.843 5.980 -8.141 17 H SER 5 H SER 5 4.982 5.578 -11.101 18 HA SER 5 HA SER 5 4.929 3.242 -11.335 19 1HB SER 5 2HB SER 5 7.063 3.639 -9.780 20 2HB SER 5 1HB SER 5 6.038 2.846 -8.587 21 HG SER 5 HG SER 5 7.435 1.509 -10.056 22 H VAL 6 H VAL 6 2.755 4.787 -10.013 23 HA VAL 6 HA VAL 6 1.537 2.506 -8.513 24 HB VAL 6 HB VAL 6 2.150 4.425 -7.013 25 1HG1 VAL 6 1HG1 VAL 6 1.301 5.984 -9.105 26 2HG1 VAL 6 2HG1 VAL 6 1.508 6.560 -7.451 27 3HG1 VAL 6 3HG1 VAL 6 -0.086 6.063 -8.018 28 1HG2 VAL 6 1HG2 VAL 6 -0.669 3.499 -7.458 29 2HG2 VAL 6 2HG2 VAL 6 -0.365 4.741 -6.244 30 3HG2 VAL 6 3HG2 VAL 6 0.416 3.166 -6.108 31 H ASP 7 H ASP 7 -0.651 2.101 -8.988 32 HA ASP 7 HA ASP 7 -2.262 3.909 -10.573 33 1HB ASP 7 2HB ASP 7 -2.374 2.048 -12.473 34 2HB ASP 7 1HB ASP 7 -1.160 3.326 -12.525 35 H CYS 8 H CYS 8 -3.638 3.342 -8.745 36 HA CYS 8 HA CYS 8 -4.952 0.682 -9.118 37 1HB CYS 8 2HB CYS 8 -3.919 1.989 -6.648 38 2HB CYS 8 1HB CYS 8 -5.470 1.156 -6.518 39 H SER 9 H SER 9 -5.956 2.729 -10.523 40 HA SER 9 HA SER 9 -7.722 4.552 -9.334 41 1HB SER 9 2HB SER 9 -9.054 4.270 -11.506 42 2HB SER 9 1HB SER 9 -7.362 4.727 -11.681 43 HG SER 9 HG SER 9 -7.696 3.032 -13.051 44 H GLU 10 H GLU 10 -8.679 3.509 -7.525 45 HA GLU 10 HA GLU 10 -10.599 2.565 -6.522 46 1HB GLU 10 2HB GLU 10 -11.531 3.088 -8.981 47 2HB GLU 10 1HB GLU 10 -11.520 1.327 -9.075 48 1HG GLU 10 2HG GLU 10 -12.668 1.510 -6.698 49 2HG GLU 10 1HG GLU 10 -13.110 3.119 -7.274 50 H TYR 11 H TYR 11 -8.398 1.216 -6.081 51 HA TYR 11 HA TYR 11 -9.127 -1.624 -6.656 52 1HB TYR 11 2HB TYR 11 -7.069 -0.548 -7.926 53 2HB TYR 11 1HB TYR 11 -6.251 -0.836 -6.391 54 HD1 TYR 11 1HD TYR 11 -6.193 -3.163 -5.429 55 HD2 TYR 11 2HD TYR 11 -7.613 -2.343 -9.399 56 HE1 TYR 11 1HE TYR 11 -5.936 -5.560 -6.017 57 HE2 TYR 11 2HE TYR 11 -7.357 -4.738 -9.987 58 HH TYR 11 HH TYR 11 -5.561 -6.794 -8.574 59 HA PRO 12 HA PRO 12 -8.237 -0.745 -2.132 60 1HB PRO 12 2HB PRO 12 -10.816 -0.924 -1.206 61 2HB PRO 12 1HB PRO 12 -10.063 0.601 -1.706 62 1HG PRO 12 2HG PRO 12 -12.099 -1.048 -3.136 63 2HG PRO 12 1HG PRO 12 -11.803 0.696 -3.225 64 1HD PRO 12 2HD PRO 12 -10.970 -1.215 -5.133 65 2HD PRO 12 1HD PRO 12 -10.395 0.460 -5.009 66 H LYS 13 H LYS 13 -7.697 -2.600 -1.003 67 HA LYS 13 HA LYS 13 -9.507 -4.867 -0.822 68 1HB LYS 13 2HB LYS 13 -7.164 -4.929 -2.700 69 2HB LYS 13 1HB LYS 13 -7.639 -6.402 -1.856 70 1HG LYS 13 2HG LYS 13 -10.066 -5.450 -2.724 71 2HG LYS 13 1HG LYS 13 -8.999 -4.977 -4.046 72 1HD LYS 13 2HD LYS 13 -8.083 -7.430 -3.809 73 2HD LYS 13 1HD LYS 13 -9.631 -7.726 -3.016 74 1HE LYS 13 2HE LYS 13 -10.630 -7.845 -5.027 75 2HE LYS 13 1HE LYS 13 -10.146 -6.182 -5.357 76 1HZ LYS 13 1HZ LYS 13 -8.851 -7.024 -6.932 77 2HZ LYS 13 2HZ LYS 13 -9.074 -8.617 -6.386 78 3HZ LYS 13 3HZ LYS 13 -7.864 -7.642 -5.699 79 H CYS 14 H CYS 14 -9.157 -4.642 1.423 80 HA CYS 14 HA CYS 14 -6.378 -4.882 2.424 81 1HB CYS 14 2HB CYS 14 -9.031 -4.209 3.682 82 2HB CYS 14 1HB CYS 14 -7.670 -4.703 4.689 83 H ALA 15 H ALA 15 -7.911 -7.089 1.072 84 HA ALA 15 HA ALA 15 -7.331 -9.157 3.100 85 1HB ALA 15 1HB ALA 15 -9.916 -8.308 2.913 86 2HB ALA 15 2HB ALA 15 -9.457 -9.949 3.363 87 3HB ALA 15 3HB ALA 15 -9.904 -9.585 1.697 88 H CYS 16 H CYS 16 -5.596 -9.407 1.447 89 HA CYS 16 HA CYS 16 -6.560 -10.746 -1.044 90 1HB CYS 16 2HB CYS 16 -4.176 -9.081 -0.380 91 2HB CYS 16 1HB CYS 16 -3.970 -10.366 -1.571 92 H THR 17 H THR 17 -4.585 -12.293 -1.787 93 HA THR 17 HA THR 17 -4.609 -14.432 0.198 94 HB THR 17 HB THR 17 -3.272 -14.232 -2.517 95 HG1 THR 17 1HG THR 17 -5.664 -15.419 -1.574 96 1HG2 THR 17 1HG2 THR 17 -3.850 -16.830 -1.169 97 2HG2 THR 17 2HG2 THR 17 -2.447 -15.918 -0.614 98 3HG2 THR 17 3HG2 THR 17 -2.564 -16.415 -2.302 99 H MET 18 H MET 18 -1.667 -13.837 -1.645 100 HA MET 18 HA MET 18 -0.248 -12.796 0.709 101 1HB MET 18 2HB MET 18 -0.397 -15.608 0.231 102 2HB MET 18 1HB MET 18 1.254 -15.085 -0.100 103 1HG MET 18 2HG MET 18 1.563 -14.257 2.075 104 2HG MET 18 1HG MET 18 -0.170 -14.141 2.378 105 1HE MET 18 1HE MET 18 -0.394 -15.265 4.498 106 2HE MET 18 2HE MET 18 1.360 -15.301 4.647 107 3HE MET 18 3HE MET 18 0.422 -16.750 5.004 108 H GLU 19 H GLU 19 -0.686 -11.973 -2.113 109 HA GLU 19 HA GLU 19 1.466 -12.426 -3.838 110 1HB GLU 19 2HB GLU 19 -0.575 -10.863 -4.141 111 2HB GLU 19 1HB GLU 19 0.414 -9.638 -3.345 112 1HG GLU 19 2HG GLU 19 1.689 -9.328 -5.185 113 2HG GLU 19 1HG GLU 19 1.867 -11.063 -5.447 114 H TYR 20 H TYR 20 3.526 -11.237 -4.121 115 HA TYR 20 HA TYR 20 4.510 -10.122 -1.526 116 1HB TYR 20 2HB TYR 20 5.441 -12.393 -2.638 117 2HB TYR 20 1HB TYR 20 6.471 -11.213 -3.451 118 HD1 TYR 20 1HD TYR 20 5.817 -12.963 -0.359 119 HD2 TYR 20 2HD TYR 20 7.728 -9.507 -2.049 120 HE1 TYR 20 1HE TYR 20 7.176 -12.706 1.700 121 HE2 TYR 20 2HE TYR 20 9.089 -9.251 0.007 122 HH TYR 20 HH TYR 20 8.389 -10.558 2.845 123 H ARG 21 H ARG 21 4.561 -7.989 -1.795 124 HA ARG 21 HA ARG 21 6.312 -6.819 -3.828 125 1HB ARG 21 2HB ARG 21 3.622 -5.520 -3.626 126 2HB ARG 21 1HB ARG 21 4.758 -5.527 -4.971 127 1HG ARG 21 2HG ARG 21 3.341 -8.055 -4.139 128 2HG ARG 21 1HG ARG 21 2.566 -6.894 -5.208 129 1HD ARG 21 2HD ARG 21 4.363 -8.915 -5.963 130 2HD ARG 21 1HD ARG 21 3.775 -7.595 -6.971 131 HE ARG 21 HE ARG 21 6.351 -7.572 -5.465 132 1HH1 ARG 21 1HH2 ARG 21 5.407 -7.463 -8.548 133 2HH1 ARG 21 2HH2 ARG 21 6.008 -5.884 -8.928 134 1HH2 ARG 21 1HH1 ARG 21 6.605 -5.026 -5.623 135 2HH2 ARG 21 2HH1 ARG 21 6.690 -4.505 -7.272 136 HA PRO 22 HA PRO 22 6.530 -4.781 0.214 137 1HB PRO 22 2HB PRO 22 9.234 -4.296 0.044 138 2HB PRO 22 1HB PRO 22 8.539 -5.806 0.658 139 1HG PRO 22 2HG PRO 22 9.836 -5.270 -1.976 140 2HG PRO 22 1HG PRO 22 9.733 -6.784 -1.063 141 1HD PRO 22 2HD PRO 22 8.143 -6.113 -3.296 142 2HD PRO 22 1HD PRO 22 7.801 -7.418 -2.139 143 H LEU 23 H LEU 23 5.826 -2.717 0.185 144 HA LEU 23 HA LEU 23 7.302 -0.682 -1.396 145 1HB LEU 23 2HB LEU 23 4.286 -1.054 -1.488 146 2HB LEU 23 1HB LEU 23 5.169 0.293 -2.210 147 HG LEU 23 HG LEU 23 5.995 -2.491 -2.932 148 1HD1 LEU 23 1HD1 LEU 23 4.295 -2.217 -4.879 149 2HD1 LEU 23 2HD1 LEU 23 3.467 -1.099 -3.794 150 3HD1 LEU 23 3HD1 LEU 23 3.693 -2.783 -3.321 151 1HD2 LEU 23 1HD2 LEU 23 5.660 -0.172 -4.800 152 2HD2 LEU 23 2HD2 LEU 23 6.875 -1.450 -4.815 153 3HD2 LEU 23 3HD2 LEU 23 6.990 -0.137 -3.642 154 H CYS 24 H CYS 24 7.851 0.829 0.126 155 HA CYS 24 HA CYS 24 6.246 1.000 2.582 156 1HB CYS 24 2HB CYS 24 8.897 1.165 2.273 157 2HB CYS 24 1HB CYS 24 8.515 2.875 2.089 158 H GLY 25 H GLY 25 4.446 2.198 2.441 159 1HA GLY 25 2HA GLY 25 3.838 4.168 0.539 160 2HA GLY 25 1HA GLY 25 3.079 4.066 2.124 161 H SER 26 H SER 26 3.911 6.446 0.621 162 HA SER 26 HA SER 26 6.279 7.648 1.574 163 1HB SER 26 2HB SER 26 5.097 8.870 -0.071 164 2HB SER 26 1HB SER 26 3.587 8.791 0.830 165 HG SER 26 HG SER 26 5.570 10.613 0.946 166 H ASP 27 H ASP 27 3.492 6.748 3.362 167 HA ASP 27 HA ASP 27 3.814 8.733 5.472 168 1HB ASP 27 2HB ASP 27 2.015 7.609 6.551 169 2HB ASP 27 1HB ASP 27 1.661 7.523 4.823 170 H ASN 28 H ASN 28 5.967 6.533 4.664 171 HA ASN 28 HA ASN 28 7.734 5.566 5.877 172 1HB ASN 28 2HB ASN 28 6.994 7.610 7.467 173 2HB ASN 28 1HB ASN 28 6.547 6.263 8.515 174 1HD2 ASN 28 1HD2 ASN 28 9.280 7.863 6.923 175 2HD2 ASN 28 2HD2 ASN 28 10.490 7.033 7.776 176 H LYS 29 H LYS 29 5.307 4.096 5.203 177 HA LYS 29 HA LYS 29 5.389 2.086 7.420 178 1HB LYS 29 2HB LYS 29 3.207 3.075 7.527 179 2HB LYS 29 1HB LYS 29 3.022 3.000 5.776 180 1HG LYS 29 2HG LYS 29 2.111 0.953 5.966 181 2HG LYS 29 1HG LYS 29 3.604 0.362 6.694 182 1HD LYS 29 2HD LYS 29 1.814 1.950 8.456 183 2HD LYS 29 1HD LYS 29 1.249 0.342 8.004 184 1HE LYS 29 2HE LYS 29 2.505 -0.147 9.904 185 2HE LYS 29 1HE LYS 29 3.708 -0.374 8.634 186 1HZ LYS 29 1HZ LYS 29 4.824 1.474 9.231 187 2HZ LYS 29 2HZ LYS 29 4.097 1.185 10.740 188 3HZ LYS 29 3HZ LYS 29 3.426 2.326 9.675 189 H THR 30 H THR 30 5.633 -0.062 6.761 190 HA THR 30 HA THR 30 6.321 -0.427 3.906 191 HB THR 30 HB THR 30 6.537 -2.341 6.254 192 HG1 THR 30 1HG THR 30 8.795 -1.860 5.926 193 1HG2 THR 30 1HG2 THR 30 6.666 -2.759 3.414 194 2HG2 THR 30 2HG2 THR 30 6.889 -3.935 4.710 195 3HG2 THR 30 3HG2 THR 30 8.268 -3.015 4.108 196 H TYR 31 H TYR 31 5.060 -1.616 2.497 197 HA TYR 31 HA TYR 31 2.467 -2.613 3.575 198 1HB TYR 31 2HB TYR 31 3.335 -1.473 0.932 199 2HB TYR 31 1HB TYR 31 1.904 -2.496 1.028 200 HD1 TYR 31 1HD TYR 31 3.355 0.745 1.870 201 HD2 TYR 31 2HD TYR 31 -0.029 -1.830 2.452 202 HE1 TYR 31 1HE TYR 31 2.044 2.662 2.739 203 HE2 TYR 31 2HE TYR 31 -1.340 0.087 3.319 204 HH TYR 31 HH TYR 31 -0.114 2.792 4.436 205 H GLY 32 H GLY 32 1.912 -4.753 3.273 206 1HA GLY 32 2HA GLY 32 3.961 -6.661 2.677 207 2HA GLY 32 1HA GLY 32 2.243 -7.032 2.818 208 H ASN 33 H ASN 33 1.393 -5.221 0.705 209 HA ASN 33 HA ASN 33 2.819 -5.881 -1.724 210 1HB ASN 33 2HB ASN 33 0.829 -7.231 -2.655 211 2HB ASN 33 1HB ASN 33 1.922 -8.066 -1.550 212 1HD2 ASN 33 1HD2 ASN 33 0.421 -9.496 -0.552 213 2HD2 ASN 33 2HD2 ASN 33 -0.918 -8.963 0.344 214 H LYS 34 H LYS 34 1.456 -5.198 -3.662 215 HA LYS 34 HA LYS 34 0.461 -2.573 -3.269 216 1HB LYS 34 2HB LYS 34 -0.269 -2.678 -5.605 217 2HB LYS 34 1HB LYS 34 1.326 -3.415 -5.444 218 1HG LYS 34 2HG LYS 34 0.557 -5.498 -5.957 219 2HG LYS 34 1HG LYS 34 -0.945 -5.270 -5.062 220 1HD LYS 34 2HD LYS 34 -2.046 -4.343 -6.867 221 2HD LYS 34 1HD LYS 34 -0.569 -3.671 -7.558 222 1HE LYS 34 2HE LYS 34 0.150 -6.037 -8.089 223 2HE LYS 34 1HE LYS 34 -1.462 -6.565 -7.607 224 1HZ LYS 34 1HZ LYS 34 -0.641 -4.977 -9.929 225 2HZ LYS 34 2HZ LYS 34 -2.176 -4.689 -9.258 226 3HZ LYS 34 3HZ LYS 34 -1.770 -6.238 -9.828 227 H CYS 35 H CYS 35 -1.043 -5.538 -2.593 228 HA CYS 35 HA CYS 35 -3.770 -4.658 -3.150 229 1HB CYS 35 2HB CYS 35 -3.144 -7.069 -3.068 230 2HB CYS 35 1HB CYS 35 -2.760 -6.892 -1.357 231 H ASN 36 H ASN 36 -1.550 -4.734 -0.422 232 HA ASN 36 HA ASN 36 -3.544 -3.600 1.417 233 1HB ASN 36 2HB ASN 36 -1.234 -5.126 1.736 234 2HB ASN 36 1HB ASN 36 -0.755 -3.523 2.282 235 1HD2 ASN 36 1HD2 ASN 36 -3.554 -5.775 2.648 236 2HD2 ASN 36 2HD2 ASN 36 -3.819 -5.410 4.285 237 H PHE 37 H PHE 37 -1.246 -2.521 -0.867 238 HA PHE 37 HA PHE 37 -0.764 0.082 0.390 239 1HB PHE 37 2HB PHE 37 0.988 -0.856 -1.025 240 2HB PHE 37 1HB PHE 37 -0.141 -1.013 -2.369 241 HD1 PHE 37 1HD PHE 37 -0.812 0.873 -3.693 242 HD2 PHE 37 2HD PHE 37 1.724 1.410 -0.266 243 HE1 PHE 37 1HE PHE 37 -0.333 3.196 -4.410 244 HE2 PHE 37 2HE PHE 37 2.205 3.741 -0.986 245 HZ PHE 37 HZ PHE 37 1.168 4.626 -3.064 246 H CYS 38 H CYS 38 -2.563 -1.121 -2.445 247 HA CYS 38 HA CYS 38 -3.728 1.450 -3.055 248 1HB CYS 38 2HB CYS 38 -4.713 -1.316 -3.819 249 2HB CYS 38 1HB CYS 38 -5.162 0.204 -4.593 250 H CYS 39 H CYS 39 -4.460 -1.081 -0.793 251 HA CYS 39 HA CYS 39 -7.267 -0.391 -0.459 252 1HB CYS 39 2HB CYS 39 -6.180 -2.599 0.211 253 2HB CYS 39 1HB CYS 39 -5.469 -1.733 1.573 254 H ALA 40 H ALA 40 -4.282 0.333 1.317 255 HA ALA 40 HA ALA 40 -5.585 2.086 3.220 256 1HB ALA 40 1HB ALA 40 -3.097 2.888 3.489 257 2HB ALA 40 2HB ALA 40 -2.736 1.504 2.459 258 3HB ALA 40 3HB ALA 40 -3.542 1.263 4.008 259 H VAL 41 H VAL 41 -4.339 2.458 -0.003 260 HA VAL 41 HA VAL 41 -4.050 5.348 0.102 261 HB VAL 41 HB VAL 41 -4.263 3.362 -2.176 262 1HG1 VAL 41 1HG1 VAL 41 -3.242 5.789 -3.150 263 2HG1 VAL 41 2HG1 VAL 41 -4.656 6.239 -2.196 264 3HG1 VAL 41 3HG1 VAL 41 -4.817 5.085 -3.519 265 1HG2 VAL 41 1HG2 VAL 41 -1.972 3.422 -2.216 266 2HG2 VAL 41 2HG2 VAL 41 -2.176 3.877 -0.524 267 3HG2 VAL 41 3HG2 VAL 41 -1.906 5.120 -1.746 268 H VAL 42 H VAL 42 -6.558 3.105 -1.016 269 HA VAL 42 HA VAL 42 -8.369 5.062 -2.023 270 HB VAL 42 HB VAL 42 -8.992 2.406 -0.691 271 1HG1 VAL 42 1HG1 VAL 42 -11.164 2.634 -1.394 272 2HG1 VAL 42 2HG1 VAL 42 -10.714 3.580 -2.812 273 3HG1 VAL 42 3HG1 VAL 42 -10.788 4.349 -1.228 274 1HG2 VAL 42 1HG2 VAL 42 -7.634 3.016 -3.112 275 2HG2 VAL 42 2HG2 VAL 42 -9.241 2.441 -3.556 276 3HG2 VAL 42 3HG2 VAL 42 -8.191 1.436 -2.558 277 H GLU 43 H GLU 43 -7.658 3.950 1.234 278 HA GLU 43 HA GLU 43 -9.945 5.349 2.413 279 1HB GLU 43 2HB GLU 43 -7.492 4.416 3.906 280 2HB GLU 43 1HB GLU 43 -9.149 4.554 4.496 281 1HG GLU 43 2HG GLU 43 -9.343 2.825 2.311 282 2HG GLU 43 1HG GLU 43 -7.862 2.327 3.129 283 H SER 44 H SER 44 -6.575 6.029 1.714 284 HA SER 44 HA SER 44 -6.468 8.420 3.385 285 1HB SER 44 2HB SER 44 -4.612 6.840 1.907 286 2HB SER 44 1HB SER 44 -4.516 8.485 1.284 287 HG SER 44 HG SER 44 -4.445 9.101 3.590 288 H ASN 45 H ASN 45 -7.941 7.696 0.442 289 HA ASN 45 HA ASN 45 -9.113 9.124 -1.025 290 1HB ASN 45 2HB ASN 45 -8.861 10.654 1.244 291 2HB ASN 45 1HB ASN 45 -8.021 11.642 0.049 292 1HD2 ASN 45 1HD2 ASN 45 -10.683 12.187 1.286 293 2HD2 ASN 45 2HD2 ASN 45 -11.785 12.265 -0.003 294 H GLY 46 H GLY 46 -6.019 8.483 -0.951 295 1HA GLY 46 2HA GLY 46 -4.567 8.619 -2.869 296 2HA GLY 46 1HA GLY 46 -5.458 10.045 -3.409 297 H THR 47 H THR 47 -4.704 10.029 -0.074 298 HA THR 47 HA THR 47 -2.668 12.144 -0.556 299 HB THR 47 HB THR 47 -4.687 12.502 0.977 300 HG1 THR 47 1HG THR 47 -2.309 12.773 2.429 301 1HG2 THR 47 1HG2 THR 47 -4.984 11.226 2.825 302 2HG2 THR 47 2HG2 THR 47 -3.264 11.235 3.211 303 3HG2 THR 47 3HG2 THR 47 -3.896 10.084 2.036 304 H LEU 48 H LEU 48 -2.456 8.994 -0.470 305 HA LEU 48 HA LEU 48 0.062 9.015 1.134 306 1HB LEU 48 2HB LEU 48 -1.636 7.896 2.499 307 2HB LEU 48 1HB LEU 48 -2.077 6.860 1.142 308 HG LEU 48 HG LEU 48 0.774 6.733 1.606 309 1HD1 LEU 48 1HD1 LEU 48 -0.721 5.550 3.903 310 2HD1 LEU 48 2HD1 LEU 48 -0.373 7.277 3.964 311 3HD1 LEU 48 3HD1 LEU 48 0.947 6.115 3.822 312 1HD2 LEU 48 1HD2 LEU 48 -1.176 5.121 0.614 313 2HD2 LEU 48 2HD2 LEU 48 -1.000 4.435 2.229 314 3HD2 LEU 48 3HD2 LEU 48 0.394 4.521 1.151 315 H THR 49 H THR 49 1.744 8.359 -0.173 316 HA THR 49 HA THR 49 1.205 6.252 -2.174 317 HB THR 49 HB THR 49 2.409 7.561 -3.937 318 HG1 THR 49 1HG THR 49 2.971 9.156 -2.090 319 1HG2 THR 49 1HG2 THR 49 0.020 9.198 -3.397 320 2HG2 THR 49 2HG2 THR 49 -0.256 7.460 -3.287 321 3HG2 THR 49 3HG2 THR 49 0.385 8.157 -4.773 322 H LEU 50 H LEU 50 2.870 4.962 -2.495 323 HA LEU 50 HA LEU 50 4.970 4.528 -0.824 324 1HB LEU 50 2HB LEU 50 4.451 2.993 -2.624 325 2HB LEU 50 1HB LEU 50 4.966 4.173 -3.828 326 HG LEU 50 HG LEU 50 7.245 4.125 -2.564 327 1HD1 LEU 50 1HD1 LEU 50 5.723 2.216 -1.069 328 2HD1 LEU 50 2HD1 LEU 50 7.396 2.713 -0.822 329 3HD1 LEU 50 3HD1 LEU 50 7.027 1.362 -1.893 330 1HD2 LEU 50 1HD2 LEU 50 7.452 3.253 -4.678 331 2HD2 LEU 50 2HD2 LEU 50 6.059 2.188 -4.486 332 3HD2 LEU 50 3HD2 LEU 50 7.614 1.740 -3.783 333 H SER 51 H SER 51 6.922 5.373 -0.368 334 HA SER 51 HA SER 51 8.027 7.465 -2.181 335 1HB SER 51 2HB SER 51 6.863 8.354 -0.040 336 2HB SER 51 1HB SER 51 8.241 7.673 0.817 337 HG SER 51 HG SER 51 8.167 9.715 -1.132 338 H HIS 52 H HIS 52 8.459 4.499 -0.886 339 HA HIS 52 HA HIS 52 11.205 4.315 -1.497 340 1HB HIS 52 2HB HIS 52 12.083 5.295 0.374 341 2HB HIS 52 1HB HIS 52 10.550 5.229 1.235 342 HD1 HIS 52 1HD HIS 52 12.427 2.215 -0.100 343 HD2 HIS 52 2HD HIS 52 11.440 3.941 3.560 344 HE1 HIS 52 1HE HIS 52 12.952 0.490 1.662 345 H PHE 53 H PHE 53 11.358 2.256 -2.012 346 HA PHE 53 HA PHE 53 9.574 0.259 -2.076 347 1HB PHE 53 2HB PHE 53 12.416 0.334 -2.101 348 2HB PHE 53 1HB PHE 53 11.926 -1.043 -1.111 349 HD1 PHE 53 1HD PHE 53 12.102 -2.969 -2.436 350 HD2 PHE 53 2HD PHE 53 10.303 0.568 -4.079 351 HE1 PHE 53 1HE PHE 53 11.493 -4.230 -4.483 352 HE2 PHE 53 2HE PHE 53 9.695 -0.692 -6.126 353 HZ PHE 53 HZ PHE 53 10.290 -3.091 -6.329 354 H GLY 54 H GLY 54 8.878 -1.466 -0.797 355 1HA GLY 54 2HA GLY 54 7.825 -1.069 1.658 356 2HA GLY 54 1HA GLY 54 8.379 -2.666 1.172 357 H LYS 55 H LYS 55 10.717 -3.135 1.609 358 HA LYS 55 HA LYS 55 11.486 -3.237 4.159 359 1HB LYS 55 2HB LYS 55 13.894 -3.003 3.451 360 2HB LYS 55 1HB LYS 55 12.947 -4.122 2.470 361 1HG LYS 55 2HG LYS 55 13.149 -2.841 0.613 362 2HG LYS 55 1HG LYS 55 12.836 -1.354 1.505 363 1HD LYS 55 2HD LYS 55 15.143 -1.445 0.536 364 2HD LYS 55 1HD LYS 55 15.136 -1.279 2.292 365 1HE LYS 55 2HE LYS 55 15.076 -4.076 1.447 366 2HE LYS 55 1HE LYS 55 16.500 -3.226 0.847 367 1HZ LYS 55 1HZ LYS 55 17.368 -3.217 2.867 368 2HZ LYS 55 2HZ LYS 55 16.084 -4.195 3.398 369 3HZ LYS 55 3HZ LYS 55 15.979 -2.505 3.531 370 H CYS 56 H CYS 56 10.647 -1.419 5.368 371 HA CYS 56 HA CYS 56 12.100 1.153 5.011 372 1HB CYS 56 2HB CYS 56 9.455 0.384 6.010 373 2HB CYS 56 1HB CYS 56 10.292 1.504 7.084 Start of MODEL 10 1 1H ALA 3 1HT ALA 3 8.897 10.631 -9.654 2 2H ALA 3 2HT ALA 3 8.478 12.271 -9.502 3 3H ALA 3 3HT ALA 3 8.658 11.577 -11.042 4 HA ALA 3 HA ALA 3 6.396 11.550 -9.259 5 1HB ALA 3 1HB ALA 3 5.206 11.256 -11.373 6 2HB ALA 3 2HB ALA 3 6.717 10.889 -12.204 7 3HB ALA 3 3HB ALA 3 6.433 12.508 -11.566 8 H VAL 4 H VAL 4 5.446 9.756 -8.406 9 HA VAL 4 HA VAL 4 6.666 7.126 -8.978 10 HB VAL 4 HB VAL 4 6.201 7.829 -6.629 11 1HG1 VAL 4 1HG1 VAL 4 4.120 9.106 -7.170 12 2HG1 VAL 4 2HG1 VAL 4 3.893 7.958 -5.850 13 3HG1 VAL 4 3HG1 VAL 4 3.296 7.575 -7.464 14 1HG2 VAL 4 1HG2 VAL 4 5.666 5.682 -5.984 15 2HG2 VAL 4 2HG2 VAL 4 5.956 5.371 -7.695 16 3HG2 VAL 4 3HG2 VAL 4 4.307 5.575 -7.104 17 H SER 5 H SER 5 5.377 5.304 -9.663 18 HA SER 5 HA SER 5 2.815 6.089 -10.997 19 1HB SER 5 2HB SER 5 4.868 4.061 -11.930 20 2HB SER 5 1HB SER 5 3.340 4.410 -12.732 21 HG SER 5 HG SER 5 4.744 5.713 -13.741 22 H VAL 6 H VAL 6 1.247 5.223 -9.694 23 HA VAL 6 HA VAL 6 1.661 2.425 -8.723 24 HB VAL 6 HB VAL 6 1.346 4.126 -6.937 25 1HG1 VAL 6 1HG1 VAL 6 -0.736 4.985 -8.757 26 2HG1 VAL 6 2HG1 VAL 6 -0.086 5.817 -7.344 27 3HG1 VAL 6 3HG1 VAL 6 -1.412 4.668 -7.158 28 1HG2 VAL 6 1HG2 VAL 6 -0.807 2.058 -7.415 29 2HG2 VAL 6 2HG2 VAL 6 -0.756 3.011 -5.931 30 3HG2 VAL 6 3HG2 VAL 6 0.592 1.952 -6.347 31 H ASP 7 H ASP 7 -0.037 0.921 -9.046 32 HA ASP 7 HA ASP 7 -2.035 1.775 -11.097 33 1HB ASP 7 2HB ASP 7 -0.415 -0.663 -10.704 34 2HB ASP 7 1HB ASP 7 -2.105 -0.967 -11.109 35 H CYS 8 H CYS 8 -3.458 2.587 -9.386 36 HA CYS 8 HA CYS 8 -4.727 0.399 -7.788 37 1HB CYS 8 2HB CYS 8 -4.640 3.385 -7.256 38 2HB CYS 8 1HB CYS 8 -5.495 2.205 -6.263 39 H SER 9 H SER 9 -5.336 1.100 -10.582 40 HA SER 9 HA SER 9 -7.556 2.715 -10.997 41 1HB SER 9 2HB SER 9 -6.538 0.218 -12.247 42 2HB SER 9 1HB SER 9 -8.216 0.630 -12.585 43 HG SER 9 HG SER 9 -7.577 2.515 -13.486 44 H GLU 10 H GLU 10 -8.916 2.708 -9.202 45 HA GLU 10 HA GLU 10 -10.569 1.960 -7.732 46 1HB GLU 10 2HB GLU 10 -12.448 0.838 -8.800 47 2HB GLU 10 1HB GLU 10 -11.815 2.074 -9.880 48 1HG GLU 10 2HG GLU 10 -10.760 -0.717 -10.153 49 2HG GLU 10 1HG GLU 10 -12.368 -0.365 -10.765 50 H TYR 11 H TYR 11 -8.551 0.767 -6.814 51 HA TYR 11 HA TYR 11 -9.213 -2.153 -6.711 52 1HB TYR 11 2HB TYR 11 -6.966 -1.352 -7.775 53 2HB TYR 11 1HB TYR 11 -6.472 -1.070 -6.106 54 HD1 TYR 11 1HD TYR 11 -8.552 -3.742 -7.728 55 HD2 TYR 11 2HD TYR 11 -5.068 -2.794 -5.400 56 HE1 TYR 11 1HE TYR 11 -8.072 -6.160 -7.464 57 HE2 TYR 11 2HE TYR 11 -4.588 -5.214 -5.135 58 HH TYR 11 HH TYR 11 -6.867 -7.662 -6.166 59 HA PRO 12 HA PRO 12 -9.197 -0.149 -2.409 60 1HB PRO 12 2HB PRO 12 -11.908 0.014 -2.000 61 2HB PRO 12 1HB PRO 12 -10.939 1.346 -2.656 62 1HG PRO 12 2HG PRO 12 -12.798 -0.512 -4.085 63 2HG PRO 12 1HG PRO 12 -12.377 1.165 -4.465 64 1HD PRO 12 2HD PRO 12 -11.339 -1.091 -5.778 65 2HD PRO 12 1HD PRO 12 -10.637 0.541 -5.802 66 H LYS 13 H LYS 13 -8.578 -2.121 -1.441 67 HA LYS 13 HA LYS 13 -10.640 -3.790 -0.351 68 1HB LYS 13 2HB LYS 13 -10.228 -5.861 -1.528 69 2HB LYS 13 1HB LYS 13 -10.615 -4.625 -2.724 70 1HG LYS 13 2HG LYS 13 -8.068 -4.267 -2.913 71 2HG LYS 13 1HG LYS 13 -7.917 -5.803 -2.055 72 1HD LYS 13 2HD LYS 13 -9.674 -5.553 -4.491 73 2HD LYS 13 1HD LYS 13 -7.948 -5.884 -4.639 74 1HE LYS 13 2HE LYS 13 -8.177 -7.873 -3.228 75 2HE LYS 13 1HE LYS 13 -9.891 -7.529 -2.991 76 1HZ LYS 13 1HZ LYS 13 -9.880 -7.543 -5.590 77 2HZ LYS 13 2HZ LYS 13 -9.986 -8.996 -4.716 78 3HZ LYS 13 3HZ LYS 13 -8.500 -8.505 -5.380 79 H CYS 14 H CYS 14 -9.635 -3.692 1.607 80 HA CYS 14 HA CYS 14 -6.739 -4.149 1.839 81 1HB CYS 14 2HB CYS 14 -8.910 -3.166 3.578 82 2HB CYS 14 1HB CYS 14 -7.692 -4.134 4.408 83 H ALA 15 H ALA 15 -8.476 -6.360 0.853 84 HA ALA 15 HA ALA 15 -7.736 -8.357 2.939 85 1HB ALA 15 1HB ALA 15 -10.219 -8.718 1.287 86 2HB ALA 15 2HB ALA 15 -10.277 -7.717 2.737 87 3HB ALA 15 3HB ALA 15 -9.817 -9.416 2.856 88 H CYS 16 H CYS 16 -5.880 -8.254 1.218 89 HA CYS 16 HA CYS 16 -6.540 -9.891 -1.184 90 1HB CYS 16 2HB CYS 16 -4.460 -7.907 -0.495 91 2HB CYS 16 1HB CYS 16 -3.886 -9.298 -1.413 92 H THR 17 H THR 17 -4.407 -11.298 -1.712 93 HA THR 17 HA THR 17 -4.348 -13.312 0.405 94 HB THR 17 HB THR 17 -2.635 -13.321 -2.082 95 HG1 THR 17 1HG THR 17 -4.610 -14.523 -2.863 96 1HG2 THR 17 1HG2 THR 17 -2.992 -15.754 -1.891 97 2HG2 THR 17 2HG2 THR 17 -4.007 -15.494 -0.473 98 3HG2 THR 17 3HG2 THR 17 -2.290 -15.102 -0.410 99 H MET 18 H MET 18 -1.308 -13.572 -0.818 100 HA MET 18 HA MET 18 -0.127 -11.624 1.094 101 1HB MET 18 2HB MET 18 -0.365 -14.377 1.621 102 2HB MET 18 1HB MET 18 1.317 -14.136 1.149 103 1HG MET 18 2HG MET 18 1.756 -13.230 3.160 104 2HG MET 18 1HG MET 18 0.562 -11.969 2.854 105 1HE MET 18 1HE MET 18 0.089 -12.811 6.287 106 2HE MET 18 2HE MET 18 1.534 -12.856 5.279 107 3HE MET 18 3HE MET 18 0.961 -14.332 6.051 108 H GLU 19 H GLU 19 -0.237 -11.672 -1.848 109 HA GLU 19 HA GLU 19 2.004 -12.654 -3.168 110 1HB GLU 19 2HB GLU 19 0.073 -10.708 -3.717 111 2HB GLU 19 1HB GLU 19 1.604 -9.837 -3.820 112 1HG GLU 19 2HG GLU 19 2.231 -10.929 -5.705 113 2HG GLU 19 1HG GLU 19 1.681 -12.487 -5.086 114 H TYR 20 H TYR 20 4.208 -12.001 -3.318 115 HA TYR 20 HA TYR 20 5.128 -10.468 -0.973 116 1HB TYR 20 2HB TYR 20 6.167 -12.676 -2.111 117 2HB TYR 20 1HB TYR 20 7.088 -11.434 -2.963 118 HD1 TYR 20 1HD TYR 20 8.050 -9.495 -1.470 119 HD2 TYR 20 2HD TYR 20 6.900 -13.359 0.015 120 HE1 TYR 20 1HE TYR 20 9.471 -9.149 0.531 121 HE2 TYR 20 2HE TYR 20 8.323 -13.010 2.017 122 HH TYR 20 HH TYR 20 10.699 -10.922 2.238 123 H ARG 21 H ARG 21 4.915 -8.347 -1.296 124 HA ARG 21 HA ARG 21 6.595 -7.050 -3.318 125 1HB ARG 21 2HB ARG 21 4.085 -5.641 -3.339 126 2HB ARG 21 1HB ARG 21 4.958 -6.325 -4.700 127 1HG ARG 21 2HG ARG 21 3.316 -8.108 -2.910 128 2HG ARG 21 1HG ARG 21 2.535 -7.171 -4.179 129 1HD ARG 21 2HD ARG 21 4.101 -9.613 -4.406 130 2HD ARG 21 1HD ARG 21 3.057 -8.847 -5.593 131 HE ARG 21 HE ARG 21 5.862 -7.896 -5.188 132 1HH1 ARG 21 1HH2 ARG 21 4.754 -10.243 -7.068 133 2HH1 ARG 21 2HH2 ARG 21 4.894 -9.434 -8.592 134 1HH2 ARG 21 1HH1 ARG 21 5.397 -6.305 -7.184 135 2HH2 ARG 21 2HH1 ARG 21 5.260 -7.205 -8.658 136 HA PRO 22 HA PRO 22 6.600 -5.025 0.745 137 1HB PRO 22 2HB PRO 22 9.265 -4.360 0.626 138 2HB PRO 22 1HB PRO 22 8.667 -5.929 1.193 139 1HG PRO 22 2HG PRO 22 9.956 -5.240 -1.411 140 2HG PRO 22 1HG PRO 22 9.956 -6.778 -0.532 141 1HD PRO 22 2HD PRO 22 8.348 -6.172 -2.768 142 2HD PRO 22 1HD PRO 22 8.091 -7.526 -1.646 143 H LEU 23 H LEU 23 5.817 -2.968 0.791 144 HA LEU 23 HA LEU 23 7.086 -0.946 -1.011 145 1HB LEU 23 2HB LEU 23 4.145 -1.145 -0.292 146 2HB LEU 23 1HB LEU 23 4.879 0.127 -1.270 147 HG LEU 23 HG LEU 23 5.552 -2.556 -2.226 148 1HD1 LEU 23 1HD1 LEU 23 3.199 -2.849 -1.270 149 2HD1 LEU 23 2HD1 LEU 23 3.383 -3.218 -2.985 150 3HD1 LEU 23 3HD1 LEU 23 2.666 -1.685 -2.484 151 1HD2 LEU 23 1HD2 LEU 23 3.985 -0.712 -3.907 152 2HD2 LEU 23 2HD2 LEU 23 5.564 -1.438 -4.208 153 3HD2 LEU 23 3HD2 LEU 23 5.435 0.013 -3.213 154 H CYS 24 H CYS 24 8.038 0.604 0.236 155 HA CYS 24 HA CYS 24 7.168 0.916 3.044 156 1HB CYS 24 2HB CYS 24 9.579 0.903 2.642 157 2HB CYS 24 1HB CYS 24 9.421 2.211 1.469 158 H GLY 25 H GLY 25 5.073 1.835 2.588 159 1HA GLY 25 2HA GLY 25 4.428 3.961 0.917 160 2HA GLY 25 1HA GLY 25 3.653 3.707 2.481 161 H SER 26 H SER 26 4.470 6.239 1.098 162 HA SER 26 HA SER 26 6.746 7.441 2.237 163 1HB SER 26 2HB SER 26 5.224 8.467 0.513 164 2HB SER 26 1HB SER 26 4.074 8.803 1.805 165 HG SER 26 HG SER 26 5.823 9.956 2.844 166 H ASP 27 H ASP 27 3.888 6.371 3.832 167 HA ASP 27 HA ASP 27 4.126 8.213 6.095 168 1HB ASP 27 2HB ASP 27 2.264 7.037 7.023 169 2HB ASP 27 1HB ASP 27 1.961 7.134 5.288 170 H ASN 28 H ASN 28 6.319 6.155 5.242 171 HA ASN 28 HA ASN 28 7.976 4.976 6.405 172 1HB ASN 28 2HB ASN 28 6.851 6.815 8.277 173 2HB ASN 28 1HB ASN 28 7.098 5.281 9.109 174 1HD2 ASN 28 1HD2 ASN 28 8.675 7.841 9.367 175 2HD2 ASN 28 2HD2 ASN 28 10.279 7.416 9.007 176 H LYS 29 H LYS 29 5.523 3.627 5.562 177 HA LYS 29 HA LYS 29 5.438 1.521 7.666 178 1HB LYS 29 2HB LYS 29 3.321 2.956 7.331 179 2HB LYS 29 1HB LYS 29 3.147 2.094 5.801 180 1HG LYS 29 2HG LYS 29 1.896 0.836 7.381 181 2HG LYS 29 1HG LYS 29 3.401 -0.053 7.150 182 1HD LYS 29 2HD LYS 29 3.193 -0.004 9.489 183 2HD LYS 29 1HD LYS 29 4.266 1.357 9.166 184 1HE LYS 29 2HE LYS 29 2.699 2.341 10.583 185 2HE LYS 29 1HE LYS 29 2.014 2.715 9.000 186 1HZ LYS 29 1HZ LYS 29 1.149 0.167 9.788 187 2HZ LYS 29 2HZ LYS 29 0.221 1.565 9.527 188 3HZ LYS 29 3HZ LYS 29 0.861 1.242 11.067 189 H THR 30 H THR 30 5.264 -0.653 6.899 190 HA THR 30 HA THR 30 6.128 -0.963 4.054 191 HB THR 30 HB THR 30 6.646 -2.664 6.507 192 HG1 THR 30 1HG THR 30 8.721 -2.076 6.141 193 1HG2 THR 30 1HG2 THR 30 6.143 -4.149 4.635 194 2HG2 THR 30 2HG2 THR 30 7.877 -4.170 4.953 195 3HG2 THR 30 3HG2 THR 30 7.242 -3.245 3.592 196 H TYR 31 H TYR 31 4.770 -2.096 2.714 197 HA TYR 31 HA TYR 31 2.434 -3.433 3.985 198 1HB TYR 31 2HB TYR 31 2.849 -2.116 1.301 199 2HB TYR 31 1HB TYR 31 1.477 -3.170 1.622 200 HD1 TYR 31 1HD TYR 31 2.246 0.131 1.410 201 HD2 TYR 31 2HD TYR 31 0.562 -2.624 4.243 202 HE1 TYR 31 1HE TYR 31 1.076 2.005 2.537 203 HE2 TYR 31 2HE TYR 31 -0.607 -0.751 5.371 204 HH TYR 31 HH TYR 31 -0.238 1.785 5.580 205 H GLY 32 H GLY 32 1.720 -5.466 3.015 206 1HA GLY 32 2HA GLY 32 3.978 -7.177 2.311 207 2HA GLY 32 1HA GLY 32 2.305 -7.698 2.503 208 H ASN 33 H ASN 33 1.725 -5.295 0.513 209 HA ASN 33 HA ASN 33 2.906 -6.081 -1.974 210 1HB ASN 33 2HB ASN 33 0.871 -7.169 -2.977 211 2HB ASN 33 1HB ASN 33 1.665 -8.140 -1.736 212 1HD2 ASN 33 1HD2 ASN 33 -0.300 -9.257 -1.112 213 2HD2 ASN 33 2HD2 ASN 33 -1.564 -8.460 -0.307 214 H LYS 34 H LYS 34 1.832 -5.014 -3.821 215 HA LYS 34 HA LYS 34 1.076 -2.340 -3.207 216 1HB LYS 34 2HB LYS 34 0.318 -2.334 -5.676 217 2HB LYS 34 1HB LYS 34 2.016 -2.676 -5.351 218 1HG LYS 34 2HG LYS 34 1.694 -5.031 -5.653 219 2HG LYS 34 1HG LYS 34 -0.062 -4.856 -5.653 220 1HD LYS 34 2HD LYS 34 0.090 -3.519 -7.737 221 2HD LYS 34 1HD LYS 34 1.838 -3.755 -7.747 222 1HE LYS 34 2HE LYS 34 0.936 -6.332 -7.465 223 2HE LYS 34 1HE LYS 34 -0.313 -5.629 -8.492 224 1HZ LYS 34 1HZ LYS 34 2.613 -5.609 -8.997 225 2HZ LYS 34 2HZ LYS 34 1.464 -4.796 -9.951 226 3HZ LYS 34 3HZ LYS 34 1.444 -6.493 -9.851 227 H CYS 35 H CYS 35 -0.784 -5.197 -3.067 228 HA CYS 35 HA CYS 35 -3.337 -4.052 -3.816 229 1HB CYS 35 2HB CYS 35 -2.986 -6.502 -3.716 230 2HB CYS 35 1HB CYS 35 -2.724 -6.388 -1.975 231 H ASN 36 H ASN 36 -1.488 -4.334 -0.827 232 HA ASN 36 HA ASN 36 -3.535 -3.149 0.829 233 1HB ASN 36 2HB ASN 36 -0.892 -4.365 1.088 234 2HB ASN 36 1HB ASN 36 -1.057 -2.933 2.086 235 1HD2 ASN 36 1HD2 ASN 36 -3.932 -3.213 2.567 236 2HD2 ASN 36 2HD2 ASN 36 -4.142 -4.568 3.562 237 H PHE 37 H PHE 37 -0.985 -2.111 -1.247 238 HA PHE 37 HA PHE 37 -0.618 0.525 -0.067 239 1HB PHE 37 2HB PHE 37 1.113 -0.641 -1.466 240 2HB PHE 37 1HB PHE 37 0.057 -0.441 -2.863 241 HD1 PHE 37 1HD PHE 37 0.589 1.332 -4.254 242 HD2 PHE 37 2HD PHE 37 1.298 1.710 -0.033 243 HE1 PHE 37 1HE PHE 37 1.483 3.617 -4.610 244 HE2 PHE 37 2HE PHE 37 2.193 3.997 -0.389 245 HZ PHE 37 HZ PHE 37 2.284 4.949 -2.678 246 H CYS 38 H CYS 38 -2.626 -0.902 -2.580 247 HA CYS 38 HA CYS 38 -3.640 1.679 -3.510 248 1HB CYS 38 2HB CYS 38 -4.426 -1.196 -4.027 249 2HB CYS 38 1HB CYS 38 -5.358 0.157 -4.669 250 H CYS 39 H CYS 39 -4.376 -0.604 -1.015 251 HA CYS 39 HA CYS 39 -7.127 0.314 -0.623 252 1HB CYS 39 2HB CYS 39 -6.560 -1.958 0.041 253 2HB CYS 39 1HB CYS 39 -5.287 -1.363 1.107 254 H ALA 40 H ALA 40 -4.017 0.744 1.045 255 HA ALA 40 HA ALA 40 -5.023 2.582 3.018 256 1HB ALA 40 1HB ALA 40 -2.582 3.229 3.235 257 2HB ALA 40 2HB ALA 40 -2.239 2.133 1.896 258 3HB ALA 40 3HB ALA 40 -2.892 1.500 3.407 259 H VAL 41 H VAL 41 -4.121 2.852 -0.317 260 HA VAL 41 HA VAL 41 -3.786 5.751 -0.296 261 HB VAL 41 HB VAL 41 -4.074 3.683 -2.486 262 1HG1 VAL 41 1HG1 VAL 41 -3.579 5.602 -4.056 263 2HG1 VAL 41 2HG1 VAL 41 -3.925 6.701 -2.721 264 3HG1 VAL 41 3HG1 VAL 41 -5.192 5.644 -3.344 265 1HG2 VAL 41 1HG2 VAL 41 -1.914 4.504 -0.990 266 2HG2 VAL 41 2HG2 VAL 41 -1.792 5.545 -2.408 267 3HG2 VAL 41 3HG2 VAL 41 -1.804 3.792 -2.601 268 H VAL 42 H VAL 42 -6.367 3.447 -0.988 269 HA VAL 42 HA VAL 42 -8.229 5.609 -1.730 270 HB VAL 42 HB VAL 42 -8.592 2.614 -1.410 271 1HG1 VAL 42 1HG1 VAL 42 -10.775 3.200 -1.112 272 2HG1 VAL 42 2HG1 VAL 42 -10.737 3.481 -2.852 273 3HG1 VAL 42 3HG1 VAL 42 -10.523 4.830 -1.736 274 1HG2 VAL 42 1HG2 VAL 42 -9.142 3.298 -4.013 275 2HG2 VAL 42 2HG2 VAL 42 -7.583 2.698 -3.448 276 3HG2 VAL 42 3HG2 VAL 42 -7.854 4.434 -3.611 277 H GLU 43 H GLU 43 -7.094 4.205 1.119 278 HA GLU 43 HA GLU 43 -9.618 4.509 2.615 279 1HB GLU 43 2HB GLU 43 -6.948 3.326 3.109 280 2HB GLU 43 1HB GLU 43 -7.721 4.058 4.515 281 1HG GLU 43 2HG GLU 43 -9.592 2.469 2.934 282 2HG GLU 43 1HG GLU 43 -8.231 1.511 3.520 283 H SER 44 H SER 44 -6.651 6.292 2.036 284 HA SER 44 HA SER 44 -7.363 8.208 4.197 285 1HB SER 44 2HB SER 44 -4.889 7.305 3.025 286 2HB SER 44 1HB SER 44 -5.015 9.055 2.874 287 HG SER 44 HG SER 44 -5.723 8.888 5.194 288 H ASN 45 H ASN 45 -8.746 7.934 1.495 289 HA ASN 45 HA ASN 45 -9.840 9.512 0.126 290 1HB ASN 45 2HB ASN 45 -9.102 11.029 2.271 291 2HB ASN 45 1HB ASN 45 -8.190 11.815 0.982 292 1HD2 ASN 45 1HD2 ASN 45 -10.520 12.981 2.353 293 2HD2 ASN 45 2HD2 ASN 45 -11.719 13.206 1.172 294 H GLY 46 H GLY 46 -7.194 8.164 -0.394 295 1HA GLY 46 2HA GLY 46 -5.743 8.078 -2.250 296 2HA GLY 46 1HA GLY 46 -6.668 9.406 -2.950 297 H THR 47 H THR 47 -5.409 9.870 0.243 298 HA THR 47 HA THR 47 -3.451 11.800 -0.916 299 HB THR 47 HB THR 47 -5.303 12.518 0.742 300 HG1 THR 47 1HG THR 47 -3.605 13.866 0.257 301 1HG2 THR 47 1HG2 THR 47 -4.035 10.512 2.295 302 2HG2 THR 47 2HG2 THR 47 -5.335 11.594 2.789 303 3HG2 THR 47 3HG2 THR 47 -3.654 12.057 3.053 304 H LEU 48 H LEU 48 -2.911 8.924 -0.699 305 HA LEU 48 HA LEU 48 -0.773 8.938 1.389 306 1HB LEU 48 2HB LEU 48 -2.464 7.099 1.517 307 2HB LEU 48 1HB LEU 48 -1.963 6.572 -0.090 308 HG LEU 48 HG LEU 48 0.428 6.488 0.904 309 1HD1 LEU 48 1HD1 LEU 48 -1.291 6.897 3.323 310 2HD1 LEU 48 2HD1 LEU 48 0.327 7.511 2.985 311 3HD1 LEU 48 3HD1 LEU 48 0.103 5.824 3.453 312 1HD2 LEU 48 1HD2 LEU 48 -0.073 4.305 0.667 313 2HD2 LEU 48 2HD2 LEU 48 -1.784 4.628 0.944 314 3HD2 LEU 48 3HD2 LEU 48 -0.712 4.320 2.310 315 H THR 49 H THR 49 1.344 8.113 0.742 316 HA THR 49 HA THR 49 1.798 8.103 -2.206 317 HB THR 49 HB THR 49 3.986 9.349 -1.608 318 HG1 THR 49 1HG THR 49 3.442 10.786 0.249 319 1HG2 THR 49 1HG2 THR 49 1.331 10.220 -2.233 320 2HG2 THR 49 2HG2 THR 49 2.865 10.947 -2.707 321 3HG2 THR 49 3HG2 THR 49 2.095 11.423 -1.192 322 H LEU 50 H LEU 50 4.507 7.705 -2.206 323 HA LEU 50 HA LEU 50 4.841 5.129 -0.730 324 1HB LEU 50 2HB LEU 50 4.596 4.832 -3.184 325 2HB LEU 50 1HB LEU 50 5.946 5.935 -3.445 326 HG LEU 50 HG LEU 50 7.430 4.406 -2.187 327 1HD1 LEU 50 1HD1 LEU 50 6.490 2.073 -1.750 328 2HD1 LEU 50 2HD1 LEU 50 4.888 2.774 -1.985 329 3HD1 LEU 50 3HD1 LEU 50 5.915 3.342 -0.668 330 1HD2 LEU 50 1HD2 LEU 50 7.474 2.591 -3.867 331 2HD2 LEU 50 2HD2 LEU 50 7.227 4.162 -4.629 332 3HD2 LEU 50 3HD2 LEU 50 5.863 3.064 -4.412 333 H SER 51 H SER 51 7.236 4.641 -0.360 334 HA SER 51 HA SER 51 8.834 7.145 -0.077 335 1HB SER 51 2HB SER 51 7.693 5.644 2.051 336 2HB SER 51 1HB SER 51 9.431 5.362 2.088 337 HG SER 51 HG SER 51 9.537 7.269 2.947 338 H HIS 52 H HIS 52 8.744 3.680 -0.598 339 HA HIS 52 HA HIS 52 11.194 3.658 -2.035 340 1HB HIS 52 2HB HIS 52 12.561 3.881 -0.190 341 2HB HIS 52 1HB HIS 52 11.358 3.226 0.912 342 HD1 HIS 52 1HD HIS 52 11.138 0.595 1.002 343 HD2 HIS 52 2HD HIS 52 14.379 1.990 -1.216 344 HE1 HIS 52 1HE HIS 52 12.683 -1.379 0.680 345 H PHE 53 H PHE 53 10.310 2.212 -3.459 346 HA PHE 53 HA PHE 53 8.480 0.159 -3.008 347 1HB PHE 53 2HB PHE 53 10.250 0.916 -5.117 348 2HB PHE 53 1HB PHE 53 10.403 -0.825 -4.887 349 HD1 PHE 53 1HD PHE 53 8.136 1.920 -5.811 350 HD2 PHE 53 2HD PHE 53 8.480 -2.317 -5.189 351 HE1 PHE 53 1HE PHE 53 5.973 1.572 -6.974 352 HE2 PHE 53 2HE PHE 53 6.316 -2.663 -6.352 353 HZ PHE 53 HZ PHE 53 5.063 -0.718 -7.244 354 H GLY 54 H GLY 54 8.936 -0.863 -0.998 355 1HA GLY 54 2HA GLY 54 9.988 -3.314 -0.804 356 2HA GLY 54 1HA GLY 54 11.471 -2.360 -0.741 357 H LYS 55 H LYS 55 11.310 -3.631 1.485 358 HA LYS 55 HA LYS 55 9.535 -2.414 3.457 359 1HB LYS 55 2HB LYS 55 10.232 -4.729 3.758 360 2HB LYS 55 1HB LYS 55 11.930 -4.248 3.758 361 1HG LYS 55 2HG LYS 55 10.548 -2.657 5.695 362 2HG LYS 55 1HG LYS 55 10.141 -4.351 5.973 363 1HD LYS 55 2HD LYS 55 12.995 -3.521 5.489 364 2HD LYS 55 1HD LYS 55 12.286 -3.405 7.100 365 1HE LYS 55 2HE LYS 55 11.785 -5.767 7.126 366 2HE LYS 55 1HE LYS 55 12.245 -5.934 5.432 367 1HZ LYS 55 1HZ LYS 55 14.502 -5.382 5.991 368 2HZ LYS 55 2HZ LYS 55 13.989 -6.669 6.974 369 3HZ LYS 55 3HZ LYS 55 14.083 -5.096 7.609 370 H CYS 56 H CYS 56 9.921 -0.441 4.332 371 HA CYS 56 HA CYS 56 12.703 0.297 4.993 372 1HB CYS 56 2HB CYS 56 12.926 1.839 3.370 373 2HB CYS 56 1HB CYS 56 11.407 1.288 2.684 Start of MODEL 11 1 1H ALA 3 1HT ALA 3 2.088 10.686 -9.546 2 2H ALA 3 2HT ALA 3 0.963 9.412 -9.545 3 3H ALA 3 3HT ALA 3 2.440 9.243 -10.367 4 HA ALA 3 HA ALA 3 3.085 9.899 -7.751 5 1HB ALA 3 1HB ALA 3 1.848 8.465 -6.388 6 2HB ALA 3 2HB ALA 3 1.340 7.455 -7.742 7 3HB ALA 3 3HB ALA 3 0.607 9.041 -7.501 8 H VAL 4 H VAL 4 4.494 9.241 -9.998 9 HA VAL 4 HA VAL 4 6.206 7.812 -10.724 10 HB VAL 4 HB VAL 4 5.698 6.511 -8.031 11 1HG1 VAL 4 1HG1 VAL 4 7.001 4.901 -9.009 12 2HG1 VAL 4 2HG1 VAL 4 8.298 6.028 -8.609 13 3HG1 VAL 4 3HG1 VAL 4 7.621 6.005 -10.238 14 1HG2 VAL 4 1HG2 VAL 4 8.131 8.081 -8.380 15 2HG2 VAL 4 2HG2 VAL 4 6.902 8.195 -7.120 16 3HG2 VAL 4 3HG2 VAL 4 6.684 9.054 -8.645 17 H SER 5 H SER 5 3.496 7.251 -11.514 18 HA SER 5 HA SER 5 2.285 5.544 -12.579 19 1HB SER 5 2HB SER 5 5.095 4.734 -12.675 20 2HB SER 5 1HB SER 5 3.993 3.360 -12.701 21 HG SER 5 HG SER 5 3.666 3.871 -14.706 22 H VAL 6 H VAL 6 0.718 4.407 -11.535 23 HA VAL 6 HA VAL 6 1.494 2.355 -9.556 24 HB VAL 6 HB VAL 6 1.277 4.305 -8.131 25 1HG1 VAL 6 1HG1 VAL 6 -0.247 5.963 -8.457 26 2HG1 VAL 6 2HG1 VAL 6 -1.556 4.823 -8.773 27 3HG1 VAL 6 3HG1 VAL 6 -0.429 5.250 -10.059 28 1HG2 VAL 6 1HG2 VAL 6 -1.381 3.353 -7.493 29 2HG2 VAL 6 2HG2 VAL 6 0.129 3.076 -6.625 30 3HG2 VAL 6 3HG2 VAL 6 -0.345 1.998 -7.938 31 H ASP 7 H ASP 7 0.496 0.693 -10.684 32 HA ASP 7 HA ASP 7 -2.044 0.992 -12.033 33 1HB ASP 7 2HB ASP 7 -0.145 -0.821 -12.321 34 2HB ASP 7 1HB ASP 7 -1.049 -1.671 -11.067 35 H CYS 8 H CYS 8 -3.601 1.764 -10.571 36 HA CYS 8 HA CYS 8 -4.648 -0.239 -8.680 37 1HB CYS 8 2HB CYS 8 -2.922 1.795 -7.758 38 2HB CYS 8 1HB CYS 8 -4.547 2.315 -7.314 39 H SER 9 H SER 9 -5.409 1.297 -11.155 40 HA SER 9 HA SER 9 -7.222 3.326 -10.937 41 1HB SER 9 2HB SER 9 -7.164 2.612 -13.107 42 2HB SER 9 1HB SER 9 -7.048 0.915 -12.652 43 HG SER 9 HG SER 9 -9.109 0.812 -12.996 44 H GLU 10 H GLU 10 -8.187 3.226 -8.816 45 HA GLU 10 HA GLU 10 -9.981 2.790 -7.369 46 1HB GLU 10 2HB GLU 10 -11.351 1.306 -9.598 47 2HB GLU 10 1HB GLU 10 -12.056 2.346 -8.360 48 1HG GLU 10 2HG GLU 10 -12.027 4.007 -9.885 49 2HG GLU 10 1HG GLU 10 -10.269 4.008 -9.725 50 H TYR 11 H TYR 11 -8.246 1.190 -6.521 51 HA TYR 11 HA TYR 11 -9.391 -1.575 -6.692 52 1HB TYR 11 2HB TYR 11 -6.761 -0.684 -7.346 53 2HB TYR 11 1HB TYR 11 -6.648 -1.679 -5.893 54 HD1 TYR 11 1HD TYR 11 -8.077 -1.608 -9.344 55 HD2 TYR 11 2HD TYR 11 -6.844 -4.032 -6.019 56 HE1 TYR 11 1HE TYR 11 -8.384 -3.650 -10.717 57 HE2 TYR 11 2HE TYR 11 -7.153 -6.072 -7.393 58 HH TYR 11 HH TYR 11 -7.679 -5.926 -10.804 59 HA PRO 12 HA PRO 12 -9.210 -0.134 -2.243 60 1HB PRO 12 2HB PRO 12 -11.919 -0.123 -1.804 61 2HB PRO 12 1HB PRO 12 -11.020 1.295 -2.369 62 1HG PRO 12 2HG PRO 12 -12.837 -0.508 -3.903 63 2HG PRO 12 1HG PRO 12 -12.444 1.194 -4.190 64 1HD PRO 12 2HD PRO 12 -11.373 -1.010 -5.604 65 2HD PRO 12 1HD PRO 12 -10.755 0.654 -5.633 66 H LYS 13 H LYS 13 -8.424 -2.263 -1.676 67 HA LYS 13 HA LYS 13 -10.371 -4.047 -0.536 68 1HB LYS 13 2HB LYS 13 -9.419 -5.959 -2.188 69 2HB LYS 13 1HB LYS 13 -10.907 -5.073 -2.517 70 1HG LYS 13 2HG LYS 13 -9.735 -3.516 -3.957 71 2HG LYS 13 1HG LYS 13 -8.177 -4.212 -3.512 72 1HD LYS 13 2HD LYS 13 -8.375 -5.772 -5.119 73 2HD LYS 13 1HD LYS 13 -9.915 -6.308 -4.445 74 1HE LYS 13 2HE LYS 13 -10.035 -3.751 -5.921 75 2HE LYS 13 1HE LYS 13 -9.643 -5.159 -6.909 76 1HZ LYS 13 1HZ LYS 13 -11.636 -6.146 -6.463 77 2HZ LYS 13 2HZ LYS 13 -12.110 -4.516 -6.419 78 3HZ LYS 13 3HZ LYS 13 -11.835 -5.364 -4.971 79 H CYS 14 H CYS 14 -9.085 -4.195 1.282 80 HA CYS 14 HA CYS 14 -6.230 -4.931 0.909 81 1HB CYS 14 2HB CYS 14 -6.568 -4.839 3.640 82 2HB CYS 14 1HB CYS 14 -5.985 -3.508 2.650 83 H ALA 15 H ALA 15 -8.355 -6.818 0.304 84 HA ALA 15 HA ALA 15 -8.128 -8.794 2.512 85 1HB ALA 15 1HB ALA 15 -9.653 -9.140 -0.074 86 2HB ALA 15 2HB ALA 15 -10.336 -8.279 1.306 87 3HB ALA 15 3HB ALA 15 -9.900 -9.980 1.457 88 H CYS 16 H CYS 16 -6.037 -7.917 0.346 89 HA CYS 16 HA CYS 16 -5.566 -10.475 -1.032 90 1HB CYS 16 2HB CYS 16 -3.911 -7.935 -0.960 91 2HB CYS 16 1HB CYS 16 -3.610 -9.325 -2.003 92 H THR 17 H THR 17 -3.728 -11.803 -0.643 93 HA THR 17 HA THR 17 -1.873 -11.168 1.519 94 HB THR 17 HB THR 17 -3.964 -11.958 2.709 95 HG1 THR 17 1HG THR 17 -2.011 -12.203 3.730 96 1HG2 THR 17 1HG2 THR 17 -4.348 -13.696 0.785 97 2HG2 THR 17 2HG2 THR 17 -4.774 -14.131 2.439 98 3HG2 THR 17 3HG2 THR 17 -3.265 -14.713 1.736 99 H MET 18 H MET 18 -1.968 -12.043 -1.364 100 HA MET 18 HA MET 18 -0.587 -14.672 -1.169 101 1HB MET 18 2HB MET 18 -2.419 -13.623 -3.024 102 2HB MET 18 1HB MET 18 -0.868 -13.649 -3.866 103 1HG MET 18 2HG MET 18 -0.658 -15.955 -3.702 104 2HG MET 18 1HG MET 18 -1.663 -16.047 -2.255 105 1HE MET 18 1HE MET 18 -4.153 -17.605 -2.951 106 2HE MET 18 2HE MET 18 -5.062 -16.099 -3.045 107 3HE MET 18 3HE MET 18 -3.676 -16.217 -1.964 108 H GLU 19 H GLU 19 -0.078 -11.966 -3.425 109 HA GLU 19 HA GLU 19 2.661 -12.336 -3.808 110 1HB GLU 19 2HB GLU 19 0.760 -10.230 -4.305 111 2HB GLU 19 1HB GLU 19 2.278 -9.530 -3.743 112 1HG GLU 19 2HG GLU 19 3.437 -10.213 -5.592 113 2HG GLU 19 1HG GLU 19 2.528 -11.718 -5.730 114 H TYR 20 H TYR 20 4.417 -10.724 -3.010 115 HA TYR 20 HA TYR 20 4.071 -10.001 -0.150 116 1HB TYR 20 2HB TYR 20 5.014 -12.285 -0.163 117 2HB TYR 20 1HB TYR 20 6.304 -11.719 -1.224 118 HD1 TYR 20 1HD TYR 20 4.907 -9.638 1.479 119 HD2 TYR 20 2HD TYR 20 8.117 -12.242 0.316 120 HE1 TYR 20 1HE TYR 20 6.217 -8.901 3.452 121 HE2 TYR 20 2HE TYR 20 9.428 -11.507 2.288 122 HH TYR 20 HH TYR 20 9.267 -10.439 4.306 123 H ARG 21 H ARG 21 4.119 -8.218 -2.104 124 HA ARG 21 HA ARG 21 6.846 -7.253 -2.614 125 1HB ARG 21 2HB ARG 21 4.156 -6.003 -3.248 126 2HB ARG 21 1HB ARG 21 5.717 -5.439 -3.848 127 1HG ARG 21 2HG ARG 21 4.573 -8.203 -4.344 128 2HG ARG 21 1HG ARG 21 4.534 -6.875 -5.504 129 1HD ARG 21 2HD ARG 21 6.574 -7.519 -6.204 130 2HD ARG 21 1HD ARG 21 7.203 -7.026 -4.633 131 HE ARG 21 HE ARG 21 6.188 -9.580 -4.201 132 1HH1 ARG 21 1HH2 ARG 21 6.992 -9.909 -7.124 133 2HH1 ARG 21 2HH2 ARG 21 8.606 -10.516 -6.959 134 1HH2 ARG 21 1HH1 ARG 21 8.902 -9.583 -3.635 135 2HH2 ARG 21 2HH1 ARG 21 9.688 -10.329 -4.986 136 HA PRO 22 HA PRO 22 6.532 -4.933 1.238 137 1HB PRO 22 2HB PRO 22 9.223 -4.390 1.376 138 2HB PRO 22 1HB PRO 22 8.508 -5.921 1.913 139 1HG PRO 22 2HG PRO 22 10.101 -5.352 -0.540 140 2HG PRO 22 1HG PRO 22 9.902 -6.875 0.340 141 1HD PRO 22 2HD PRO 22 8.588 -6.157 -2.067 142 2HD PRO 22 1HD PRO 22 8.177 -7.528 -1.018 143 H LEU 23 H LEU 23 5.710 -2.888 0.919 144 HA LEU 23 HA LEU 23 7.298 -1.022 -0.796 145 1HB LEU 23 2HB LEU 23 4.368 -0.654 -0.194 146 2HB LEU 23 1HB LEU 23 5.310 0.000 -1.533 147 HG LEU 23 HG LEU 23 5.299 -2.937 -1.454 148 1HD1 LEU 23 1HD1 LEU 23 2.763 -2.066 -2.564 149 2HD1 LEU 23 2HD1 LEU 23 2.859 -1.694 -0.843 150 3HD1 LEU 23 3HD1 LEU 23 3.085 -3.352 -1.400 151 1HD2 LEU 23 1HD2 LEU 23 6.126 -1.446 -3.310 152 2HD2 LEU 23 2HD2 LEU 23 4.453 -0.962 -3.592 153 3HD2 LEU 23 3HD2 LEU 23 4.939 -2.641 -3.831 154 H CYS 24 H CYS 24 8.026 0.808 0.215 155 HA CYS 24 HA CYS 24 7.357 1.145 3.070 156 1HB CYS 24 2HB CYS 24 9.726 1.319 2.237 157 2HB CYS 24 1HB CYS 24 9.260 2.770 1.350 158 H GLY 25 H GLY 25 5.175 1.873 2.864 159 1HA GLY 25 2HA GLY 25 4.273 3.949 1.165 160 2HA GLY 25 1HA GLY 25 3.520 3.529 2.705 161 H SER 26 H SER 26 4.020 6.208 1.502 162 HA SER 26 HA SER 26 6.158 7.621 2.634 163 1HB SER 26 2HB SER 26 4.824 8.922 1.234 164 2HB SER 26 1HB SER 26 3.327 8.359 1.972 165 HG SER 26 HG SER 26 5.239 9.879 3.395 166 H ASP 27 H ASP 27 3.548 6.090 4.297 167 HA ASP 27 HA ASP 27 3.673 7.775 6.678 168 1HB ASP 27 2HB ASP 27 2.137 6.190 7.652 169 2HB ASP 27 1HB ASP 27 1.644 6.440 5.976 170 H ASN 28 H ASN 28 6.095 6.099 5.546 171 HA ASN 28 HA ASN 28 7.964 5.088 6.530 172 1HB ASN 28 2HB ASN 28 6.834 6.767 8.508 173 2HB ASN 28 1HB ASN 28 7.210 5.239 9.305 174 1HD2 ASN 28 1HD2 ASN 28 9.458 4.600 9.454 175 2HD2 ASN 28 2HD2 ASN 28 10.721 5.657 9.045 176 H LYS 29 H LYS 29 5.634 3.472 5.835 177 HA LYS 29 HA LYS 29 6.045 1.294 7.828 178 1HB LYS 29 2HB LYS 29 3.749 2.579 7.854 179 2HB LYS 29 1HB LYS 29 3.415 1.595 6.427 180 1HG LYS 29 2HG LYS 29 2.924 -0.133 7.761 181 2HG LYS 29 1HG LYS 29 4.587 -0.122 8.344 182 1HD LYS 29 2HD LYS 29 3.246 2.029 9.626 183 2HD LYS 29 1HD LYS 29 2.200 0.613 9.761 184 1HE LYS 29 2HE LYS 29 3.528 0.102 11.540 185 2HE LYS 29 1HE LYS 29 4.633 -0.494 10.301 186 1HZ LYS 29 1HZ LYS 29 4.902 2.312 10.627 187 2HZ LYS 29 2HZ LYS 29 6.077 1.097 10.791 188 3HZ LYS 29 3HZ LYS 29 5.108 1.527 12.117 189 H THR 30 H THR 30 5.489 -0.879 6.904 190 HA THR 30 HA THR 30 6.164 -0.944 3.996 191 HB THR 30 HB THR 30 6.809 -2.894 6.221 192 HG1 THR 30 1HG THR 30 8.605 -1.819 4.365 193 1HG2 THR 30 1HG2 THR 30 6.418 -3.344 3.371 194 2HG2 THR 30 2HG2 THR 30 6.687 -4.516 4.660 195 3HG2 THR 30 3HG2 THR 30 8.059 -3.740 3.873 196 H TYR 31 H TYR 31 4.766 -2.052 2.654 197 HA TYR 31 HA TYR 31 2.403 -3.321 3.954 198 1HB TYR 31 2HB TYR 31 2.780 -1.909 1.311 199 2HB TYR 31 1HB TYR 31 1.352 -2.870 1.681 200 HD1 TYR 31 1HD TYR 31 2.219 0.370 1.468 201 HD2 TYR 31 2HD TYR 31 0.787 -2.372 4.450 202 HE1 TYR 31 1HE TYR 31 1.265 2.266 2.755 203 HE2 TYR 31 2HE TYR 31 -0.167 -0.478 5.735 204 HH TYR 31 HH TYR 31 0.664 2.708 5.198 205 H GLY 32 H GLY 32 1.554 -5.266 2.935 206 1HA GLY 32 2HA GLY 32 3.658 -7.096 2.129 207 2HA GLY 32 1HA GLY 32 1.939 -7.478 2.227 208 H ASN 33 H ASN 33 1.393 -5.065 0.420 209 HA ASN 33 HA ASN 33 2.683 -5.540 -2.095 210 1HB ASN 33 2HB ASN 33 0.583 -6.578 -3.186 211 2HB ASN 33 1HB ASN 33 1.627 -7.648 -2.251 212 1HD2 ASN 33 1HD2 ASN 33 0.366 -9.022 -0.999 213 2HD2 ASN 33 2HD2 ASN 33 -1.060 -8.579 -0.194 214 H LYS 34 H LYS 34 1.271 -4.581 -3.928 215 HA LYS 34 HA LYS 34 0.491 -1.934 -3.161 216 1HB LYS 34 2HB LYS 34 1.238 -2.127 -5.385 217 2HB LYS 34 1HB LYS 34 0.257 -3.559 -5.687 218 1HG LYS 34 2HG LYS 34 -1.201 -1.059 -4.981 219 2HG LYS 34 1HG LYS 34 -0.454 -1.124 -6.578 220 1HD LYS 34 2HD LYS 34 -2.082 -3.457 -5.609 221 2HD LYS 34 1HD LYS 34 -2.899 -2.036 -6.260 222 1HE LYS 34 2HE LYS 34 -2.564 -3.498 -8.119 223 2HE LYS 34 1HE LYS 34 -1.345 -2.233 -8.275 224 1HZ LYS 34 1HZ LYS 34 -0.634 -4.674 -8.514 225 2HZ LYS 34 2HZ LYS 34 -0.736 -4.722 -6.819 226 3HZ LYS 34 3HZ LYS 34 0.329 -3.638 -7.578 227 H CYS 35 H CYS 35 -1.192 -4.912 -3.064 228 HA CYS 35 HA CYS 35 -3.862 -3.848 -3.450 229 1HB CYS 35 2HB CYS 35 -3.191 -6.281 -3.650 230 2HB CYS 35 1HB CYS 35 -3.038 -6.310 -1.895 231 H ASN 36 H ASN 36 -1.706 -4.356 -0.711 232 HA ASN 36 HA ASN 36 -3.689 -3.479 1.257 233 1HB ASN 36 2HB ASN 36 -1.263 -4.864 1.352 234 2HB ASN 36 1HB ASN 36 -0.885 -3.296 2.056 235 1HD2 ASN 36 1HD2 ASN 36 -3.855 -5.350 2.205 236 2HD2 ASN 36 2HD2 ASN 36 -3.931 -5.366 3.900 237 H PHE 37 H PHE 37 -1.295 -2.135 -0.830 238 HA PHE 37 HA PHE 37 -0.955 0.399 0.527 239 1HB PHE 37 2HB PHE 37 0.697 -0.515 -1.086 240 2HB PHE 37 1HB PHE 37 -0.495 -0.368 -2.377 241 HD1 PHE 37 1HD PHE 37 -1.209 1.852 -3.190 242 HD2 PHE 37 2HD PHE 37 1.810 1.426 -0.162 243 HE1 PHE 37 1HE PHE 37 -0.516 4.205 -3.551 244 HE2 PHE 37 2HE PHE 37 2.503 3.778 -0.524 245 HZ PHE 37 HZ PHE 37 1.342 5.170 -2.216 246 H CYS 38 H CYS 38 -3.146 -0.865 -1.933 247 HA CYS 38 HA CYS 38 -4.312 1.755 -2.484 248 1HB CYS 38 2HB CYS 38 -4.423 -0.832 -3.668 249 2HB CYS 38 1HB CYS 38 -6.070 -0.368 -3.239 250 H CYS 39 H CYS 39 -4.780 -0.743 -0.125 251 HA CYS 39 HA CYS 39 -7.550 -0.102 0.455 252 1HB CYS 39 2HB CYS 39 -6.584 -2.237 1.192 253 2HB CYS 39 1HB CYS 39 -5.421 -1.378 2.201 254 H ALA 40 H ALA 40 -4.417 0.960 1.711 255 HA ALA 40 HA ALA 40 -5.686 2.786 3.628 256 1HB ALA 40 1HB ALA 40 -2.906 1.963 2.951 257 2HB ALA 40 2HB ALA 40 -3.682 2.121 4.528 258 3HB ALA 40 3HB ALA 40 -3.122 3.557 3.672 259 H VAL 41 H VAL 41 -4.433 2.961 0.357 260 HA VAL 41 HA VAL 41 -4.178 5.865 0.382 261 HB VAL 41 HB VAL 41 -4.394 3.975 -1.981 262 1HG1 VAL 41 1HG1 VAL 41 -4.527 5.903 -3.152 263 2HG1 VAL 41 2HG1 VAL 41 -2.866 6.215 -2.649 264 3HG1 VAL 41 3HG1 VAL 41 -4.208 6.875 -1.716 265 1HG2 VAL 41 1HG2 VAL 41 -2.403 4.022 -0.094 266 2HG2 VAL 41 2HG2 VAL 41 -1.799 5.188 -1.272 267 3HG2 VAL 41 3HG2 VAL 41 -2.172 3.539 -1.774 268 H VAL 42 H VAL 42 -6.582 3.562 -0.831 269 HA VAL 42 HA VAL 42 -8.337 5.651 -1.802 270 HB VAL 42 HB VAL 42 -9.038 2.788 -1.092 271 1HG1 VAL 42 1HG1 VAL 42 -10.922 4.430 -1.417 272 2HG1 VAL 42 2HG1 VAL 42 -10.910 3.122 -2.599 273 3HG1 VAL 42 3HG1 VAL 42 -10.319 4.721 -3.048 274 1HG2 VAL 42 1HG2 VAL 42 -7.389 3.920 -3.207 275 2HG2 VAL 42 2HG2 VAL 42 -8.795 3.088 -3.873 276 3HG2 VAL 42 3HG2 VAL 42 -7.681 2.226 -2.811 277 H GLU 43 H GLU 43 -7.770 4.145 1.288 278 HA GLU 43 HA GLU 43 -10.334 4.949 2.428 279 1HB GLU 43 2HB GLU 43 -9.622 3.918 4.368 280 2HB GLU 43 1HB GLU 43 -8.541 3.123 3.229 281 1HG GLU 43 2HG GLU 43 -6.938 3.822 4.706 282 2HG GLU 43 1HG GLU 43 -7.070 5.330 3.799 283 H SER 44 H SER 44 -7.194 6.366 1.963 284 HA SER 44 HA SER 44 -7.869 8.692 3.672 285 1HB SER 44 2HB SER 44 -5.421 7.488 2.633 286 2HB SER 44 1HB SER 44 -5.469 9.225 2.359 287 HG SER 44 HG SER 44 -5.012 7.904 4.625 288 H ASN 45 H ASN 45 -8.235 7.643 0.479 289 HA ASN 45 HA ASN 45 -8.987 8.724 -1.447 290 1HB ASN 45 2HB ASN 45 -10.051 10.136 0.782 291 2HB ASN 45 1HB ASN 45 -9.583 11.322 -0.436 292 1HD2 ASN 45 1HD2 ASN 45 -11.249 11.735 -1.886 293 2HD2 ASN 45 2HD2 ASN 45 -12.411 10.605 -2.389 294 H GLY 46 H GLY 46 -6.115 8.996 -0.696 295 1HA GLY 46 2HA GLY 46 -4.678 10.147 -2.424 296 2HA GLY 46 1HA GLY 46 -5.617 11.598 -2.089 297 H THR 47 H THR 47 -5.352 10.308 0.881 298 HA THR 47 HA THR 47 -3.215 12.147 1.614 299 HB THR 47 HB THR 47 -4.162 10.136 3.584 300 HG1 THR 47 1HG THR 47 -5.820 12.080 2.360 301 1HG2 THR 47 1HG2 THR 47 -3.925 11.894 5.069 302 2HG2 THR 47 2HG2 THR 47 -4.359 13.106 3.863 303 3HG2 THR 47 3HG2 THR 47 -2.756 12.372 3.837 304 H LEU 48 H LEU 48 -3.489 8.717 2.583 305 HA LEU 48 HA LEU 48 -0.752 8.315 3.055 306 1HB LEU 48 2HB LEU 48 -2.917 6.717 3.249 307 2HB LEU 48 1HB LEU 48 -2.198 6.049 1.783 308 HG LEU 48 HG LEU 48 0.021 6.268 3.304 309 1HD1 LEU 48 1HD1 LEU 48 -2.319 6.292 5.137 310 2HD1 LEU 48 2HD1 LEU 48 -0.686 6.908 5.387 311 3HD1 LEU 48 3HD1 LEU 48 -1.013 5.184 5.557 312 1HD2 LEU 48 1HD2 LEU 48 -1.294 3.829 4.076 313 2HD2 LEU 48 2HD2 LEU 48 -0.027 4.059 2.872 314 3HD2 LEU 48 3HD2 LEU 48 -1.720 4.210 2.407 315 H THR 49 H THR 49 0.960 7.413 1.736 316 HA THR 49 HA THR 49 0.480 7.250 -1.175 317 HB THR 49 HB THR 49 2.125 8.898 -1.768 318 HG1 THR 49 1HG THR 49 2.816 10.107 0.369 319 1HG2 THR 49 1HG2 THR 49 -0.221 9.636 -1.052 320 2HG2 THR 49 2HG2 THR 49 1.023 10.887 -1.070 321 3HG2 THR 49 3HG2 THR 49 0.526 10.160 0.459 322 H LEU 50 H LEU 50 3.230 7.362 -1.864 323 HA LEU 50 HA LEU 50 4.196 4.799 -0.672 324 1HB LEU 50 2HB LEU 50 3.680 5.030 -3.197 325 2HB LEU 50 1HB LEU 50 5.123 6.038 -3.273 326 HG LEU 50 HG LEU 50 6.418 4.149 -2.239 327 1HD1 LEU 50 1HD1 LEU 50 4.444 3.027 -1.198 328 2HD1 LEU 50 2HD1 LEU 50 5.389 1.925 -2.198 329 3HD1 LEU 50 3HD1 LEU 50 3.876 2.591 -2.810 330 1HD2 LEU 50 1HD2 LEU 50 5.044 4.012 -4.893 331 2HD2 LEU 50 2HD2 LEU 50 6.011 2.627 -4.383 332 3HD2 LEU 50 3HD2 LEU 50 6.759 4.218 -4.530 333 H SER 51 H SER 51 6.668 4.662 -0.526 334 HA SER 51 HA SER 51 7.959 7.318 -0.269 335 1HB SER 51 2HB SER 51 6.898 6.044 1.948 336 2HB SER 51 1HB SER 51 8.600 5.601 2.005 337 HG SER 51 HG SER 51 8.821 8.013 1.472 338 H HIS 52 H HIS 52 8.291 3.838 -0.677 339 HA HIS 52 HA HIS 52 10.776 4.072 -2.019 340 1HB HIS 52 2HB HIS 52 12.020 4.628 -0.157 341 2HB HIS 52 1HB HIS 52 10.918 3.821 0.954 342 HD1 HIS 52 1HD HIS 52 11.746 1.663 1.871 343 HD2 HIS 52 2HD HIS 52 13.578 2.568 -1.764 344 HE1 HIS 52 1HE HIS 52 13.433 -0.172 1.445 345 H PHE 53 H PHE 53 10.178 2.440 -3.363 346 HA PHE 53 HA PHE 53 8.740 0.099 -2.744 347 1HB PHE 53 2HB PHE 53 10.277 1.114 -4.965 348 2HB PHE 53 1HB PHE 53 10.644 -0.594 -4.730 349 HD1 PHE 53 1HD PHE 53 9.501 -1.440 -6.673 350 HD2 PHE 53 2HD PHE 53 7.429 0.992 -3.804 351 HE1 PHE 53 1HE PHE 53 7.337 -2.054 -7.718 352 HE2 PHE 53 2HE PHE 53 5.264 0.380 -4.849 353 HZ PHE 53 HZ PHE 53 5.218 -1.145 -6.805 354 H GLY 54 H GLY 54 9.360 -1.182 -1.015 355 1HA GLY 54 2HA GLY 54 11.037 -3.184 -0.840 356 2HA GLY 54 1HA GLY 54 12.247 -1.900 -0.773 357 H LYS 55 H LYS 55 11.983 -3.681 1.371 358 HA LYS 55 HA LYS 55 10.230 -2.686 3.433 359 1HB LYS 55 2HB LYS 55 11.103 -4.943 3.597 360 2HB LYS 55 1HB LYS 55 12.763 -4.348 3.576 361 1HG LYS 55 2HG LYS 55 11.823 -4.938 5.876 362 2HG LYS 55 1HG LYS 55 12.528 -3.330 5.723 363 1HD LYS 55 2HD LYS 55 10.527 -2.286 6.017 364 2HD LYS 55 1HD LYS 55 9.656 -3.475 5.048 365 1HE LYS 55 2HE LYS 55 9.011 -3.498 7.478 366 2HE LYS 55 1HE LYS 55 9.628 -5.047 6.899 367 1HZ LYS 55 1HZ LYS 55 10.581 -4.320 9.053 368 2HZ LYS 55 2HZ LYS 55 11.293 -2.999 8.256 369 3HZ LYS 55 3HZ LYS 55 11.748 -4.584 7.850 370 H CYS 56 H CYS 56 10.461 -0.798 4.545 371 HA CYS 56 HA CYS 56 12.833 0.838 4.231 372 1HB CYS 56 2HB CYS 56 10.186 1.105 5.463 373 2HB CYS 56 1HB CYS 56 11.460 1.897 6.391 Start of MODEL 12 1 1H ALA 3 1HT ALA 3 5.763 11.670 -8.579 2 2H ALA 3 2HT ALA 3 7.082 12.693 -8.900 3 3H ALA 3 3HT ALA 3 6.867 12.039 -7.347 4 HA ALA 3 HA ALA 3 7.938 10.800 -9.763 5 1HB ALA 3 1HB ALA 3 9.509 11.328 -8.045 6 2HB ALA 3 2HB ALA 3 9.239 9.590 -7.914 7 3HB ALA 3 3HB ALA 3 8.452 10.692 -6.783 8 H VAL 4 H VAL 4 7.892 8.451 -9.953 9 HA VAL 4 HA VAL 4 6.769 6.404 -10.015 10 HB VAL 4 HB VAL 4 7.184 6.998 -7.361 11 1HG1 VAL 4 1HG1 VAL 4 5.263 6.853 -6.086 12 2HG1 VAL 4 2HG1 VAL 4 4.383 5.956 -7.322 13 3HG1 VAL 4 3HG1 VAL 4 4.607 7.695 -7.487 14 1HG2 VAL 4 1HG2 VAL 4 6.973 4.667 -7.021 15 2HG2 VAL 4 2HG2 VAL 4 7.378 4.825 -8.731 16 3HG2 VAL 4 3HG2 VAL 4 5.712 4.519 -8.245 17 H SER 5 H SER 5 4.611 5.495 -10.335 18 HA SER 5 HA SER 5 2.306 7.295 -10.047 19 1HB SER 5 2HB SER 5 2.738 6.315 -12.831 20 2HB SER 5 1HB SER 5 1.917 7.768 -12.268 21 HG SER 5 HG SER 5 4.237 7.744 -13.271 22 H VAL 6 H VAL 6 1.138 5.731 -8.957 23 HA VAL 6 HA VAL 6 0.736 3.129 -10.383 24 HB VAL 6 HB VAL 6 1.802 2.778 -8.219 25 1HG1 VAL 6 1HG1 VAL 6 0.280 3.488 -6.184 26 2HG1 VAL 6 2HG1 VAL 6 -0.343 4.681 -7.325 27 3HG1 VAL 6 3HG1 VAL 6 1.372 4.664 -6.916 28 1HG2 VAL 6 1HG2 VAL 6 0.274 1.038 -8.666 29 2HG2 VAL 6 2HG2 VAL 6 -1.125 2.087 -8.447 30 3HG2 VAL 6 3HG2 VAL 6 -0.186 1.567 -7.048 31 H ASP 7 H ASP 7 -1.409 2.450 -10.690 32 HA ASP 7 HA ASP 7 -3.469 4.523 -10.066 33 1HB ASP 7 2HB ASP 7 -4.712 2.990 -11.893 34 2HB ASP 7 1HB ASP 7 -3.658 4.328 -12.347 35 H CYS 8 H CYS 8 -4.023 3.771 -7.977 36 HA CYS 8 HA CYS 8 -5.083 0.983 -7.816 37 1HB CYS 8 2HB CYS 8 -4.375 2.941 -5.607 38 2HB CYS 8 1HB CYS 8 -4.931 1.285 -5.370 39 H SER 9 H SER 9 -6.482 3.296 -9.053 40 HA SER 9 HA SER 9 -8.559 4.114 -7.174 41 1HB SER 9 2HB SER 9 -9.020 4.387 -10.091 42 2HB SER 9 1HB SER 9 -9.208 5.576 -8.805 43 HG SER 9 HG SER 9 -7.210 5.333 -10.488 44 H GLU 10 H GLU 10 -8.346 1.212 -7.492 45 HA GLU 10 HA GLU 10 -11.154 0.692 -8.113 46 1HB GLU 10 2HB GLU 10 -9.451 0.396 -10.214 47 2HB GLU 10 1HB GLU 10 -9.337 -1.207 -9.486 48 1HG GLU 10 2HG GLU 10 -11.793 -1.417 -9.539 49 2HG GLU 10 1HG GLU 10 -11.919 0.190 -10.254 50 H TYR 11 H TYR 11 -9.008 0.500 -5.914 51 HA TYR 11 HA TYR 11 -9.657 -2.318 -5.152 52 1HB TYR 11 2HB TYR 11 -7.045 -0.879 -5.208 53 2HB TYR 11 1HB TYR 11 -7.342 -1.973 -3.863 54 HD1 TYR 11 1HD TYR 11 -7.590 -1.813 -7.597 55 HD2 TYR 11 2HD TYR 11 -6.947 -4.270 -4.133 56 HE1 TYR 11 1HE TYR 11 -7.071 -3.744 -9.063 57 HE2 TYR 11 2HE TYR 11 -6.428 -6.203 -5.600 58 HH TYR 11 HH TYR 11 -5.627 -5.960 -8.736 59 HA PRO 12 HA PRO 12 -10.836 0.748 -1.846 60 1HB PRO 12 2HB PRO 12 -13.542 0.293 -1.947 61 2HB PRO 12 1HB PRO 12 -12.721 1.526 -2.923 62 1HG PRO 12 2HG PRO 12 -13.829 -1.108 -3.772 63 2HG PRO 12 1HG PRO 12 -13.569 0.358 -4.729 64 1HD PRO 12 2HD PRO 12 -11.906 -1.947 -4.709 65 2HD PRO 12 1HD PRO 12 -11.521 -0.377 -5.441 66 H LYS 13 H LYS 13 -10.123 -2.259 -1.861 67 HA LYS 13 HA LYS 13 -11.789 -3.076 0.449 68 1HB LYS 13 2HB LYS 13 -11.441 -5.362 -0.246 69 2HB LYS 13 1HB LYS 13 -12.036 -4.460 -1.638 70 1HG LYS 13 2HG LYS 13 -9.389 -4.068 -1.968 71 2HG LYS 13 1HG LYS 13 -9.349 -5.634 -1.159 72 1HD LYS 13 2HD LYS 13 -11.231 -6.267 -2.870 73 2HD LYS 13 1HD LYS 13 -10.603 -4.900 -3.789 74 1HE LYS 13 2HE LYS 13 -8.324 -5.904 -3.660 75 2HE LYS 13 1HE LYS 13 -9.019 -7.305 -2.846 76 1HZ LYS 13 1HZ LYS 13 -9.630 -6.344 -5.586 77 2HZ LYS 13 2HZ LYS 13 -10.493 -7.579 -4.799 78 3HZ LYS 13 3HZ LYS 13 -8.846 -7.786 -5.160 79 H CYS 14 H CYS 14 -9.883 -5.245 0.726 80 HA CYS 14 HA CYS 14 -7.230 -4.438 1.203 81 1HB CYS 14 2HB CYS 14 -8.962 -3.062 2.896 82 2HB CYS 14 1HB CYS 14 -8.346 -4.372 3.905 83 H ALA 15 H ALA 15 -7.584 -6.811 0.432 84 HA ALA 15 HA ALA 15 -7.276 -8.536 2.812 85 1HB ALA 15 1HB ALA 15 -9.505 -9.064 2.652 86 2HB ALA 15 2HB ALA 15 -8.889 -10.187 1.440 87 3HB ALA 15 3HB ALA 15 -9.590 -8.647 0.941 88 H CYS 16 H CYS 16 -5.078 -8.211 1.548 89 HA CYS 16 HA CYS 16 -4.881 -10.505 -0.359 90 1HB CYS 16 2HB CYS 16 -3.492 -7.825 -0.585 91 2HB CYS 16 1HB CYS 16 -3.081 -9.248 -1.546 92 H THR 17 H THR 17 -3.088 -11.793 -0.110 93 HA THR 17 HA THR 17 -0.826 -11.023 1.551 94 HB THR 17 HB THR 17 -2.379 -11.522 3.353 95 HG1 THR 17 1HG THR 17 -0.496 -12.327 3.954 96 1HG2 THR 17 1HG2 THR 17 -3.381 -13.420 1.487 97 2HG2 THR 17 2HG2 THR 17 -4.036 -13.012 3.072 98 3HG2 THR 17 3HG2 THR 17 -2.855 -14.312 2.913 99 H MET 18 H MET 18 -1.542 -12.211 -1.130 100 HA MET 18 HA MET 18 -0.342 -14.905 -0.920 101 1HB MET 18 2HB MET 18 -1.252 -13.531 -3.450 102 2HB MET 18 1HB MET 18 -1.066 -15.259 -3.156 103 1HG MET 18 2HG MET 18 -3.252 -15.304 -2.607 104 2HG MET 18 1HG MET 18 -2.828 -14.388 -1.161 105 1HE MET 18 1HE MET 18 -5.668 -14.008 -3.808 106 2HE MET 18 2HE MET 18 -4.188 -14.791 -4.357 107 3HE MET 18 3HE MET 18 -4.671 -13.247 -5.056 108 H GLU 19 H GLU 19 0.186 -12.406 -3.405 109 HA GLU 19 HA GLU 19 2.892 -13.187 -3.865 110 1HB GLU 19 2HB GLU 19 1.522 -11.876 -5.480 111 2HB GLU 19 1HB GLU 19 1.620 -10.485 -4.398 112 1HG GLU 19 2HG GLU 19 4.038 -10.417 -4.619 113 2HG GLU 19 1HG GLU 19 4.029 -11.906 -5.565 114 H TYR 20 H TYR 20 4.858 -12.254 -3.134 115 HA TYR 20 HA TYR 20 4.564 -10.673 -0.618 116 1HB TYR 20 2HB TYR 20 5.822 -12.990 -0.784 117 2HB TYR 20 1HB TYR 20 7.128 -11.978 -1.404 118 HD1 TYR 20 1HD TYR 20 4.518 -11.237 1.169 119 HD2 TYR 20 2HD TYR 20 8.697 -11.774 0.330 120 HE1 TYR 20 1HE TYR 20 5.074 -10.504 3.472 121 HE2 TYR 20 2HE TYR 20 9.252 -11.043 2.633 122 HH TYR 20 HH TYR 20 8.235 -10.863 4.798 123 H ARG 21 H ARG 21 4.821 -8.577 -1.034 124 HA ARG 21 HA ARG 21 7.287 -7.637 -2.332 125 1HB ARG 21 2HB ARG 21 4.797 -7.708 -3.751 126 2HB ARG 21 1HB ARG 21 5.188 -6.023 -3.408 127 1HG ARG 21 2HG ARG 21 6.787 -6.033 -4.990 128 2HG ARG 21 1HG ARG 21 7.577 -7.407 -4.220 129 1HD ARG 21 2HD ARG 21 5.105 -7.850 -5.867 130 2HD ARG 21 1HD ARG 21 6.665 -7.659 -6.668 131 HE ARG 21 HE ARG 21 6.082 -9.802 -4.666 132 1HH1 ARG 21 1HH1 ARG 21 8.696 -8.483 -6.194 133 2HH1 ARG 21 2HH1 ARG 21 9.181 -9.913 -7.042 134 1HH2 ARG 21 1HH2 ARG 21 6.287 -11.668 -6.273 135 2HH2 ARG 21 2HH2 ARG 21 7.815 -11.717 -7.089 136 HA PRO 22 HA PRO 22 6.054 -5.178 1.297 137 1HB PRO 22 2HB PRO 22 8.642 -4.860 2.178 138 2HB PRO 22 1HB PRO 22 7.621 -6.246 2.593 139 1HG PRO 22 2HG PRO 22 9.894 -6.097 0.664 140 2HG PRO 22 1HG PRO 22 9.290 -7.486 1.584 141 1HD PRO 22 2HD PRO 22 8.784 -6.990 -1.146 142 2HD PRO 22 1HD PRO 22 7.893 -8.133 -0.119 143 H LEU 23 H LEU 23 5.773 -3.001 1.111 144 HA LEU 23 HA LEU 23 7.818 -1.436 -0.417 145 1HB LEU 23 2HB LEU 23 4.799 -1.319 -0.599 146 2HB LEU 23 1HB LEU 23 5.834 -0.016 -1.181 147 HG LEU 23 HG LEU 23 6.810 -2.564 -2.133 148 1HD1 LEU 23 1HD1 LEU 23 4.357 -3.130 -1.853 149 2HD1 LEU 23 2HD1 LEU 23 4.959 -3.252 -3.506 150 3HD1 LEU 23 3HD1 LEU 23 4.004 -1.852 -3.017 151 1HD2 LEU 23 1HD2 LEU 23 7.464 -1.002 -3.627 152 2HD2 LEU 23 2HD2 LEU 23 6.264 0.148 -3.041 153 3HD2 LEU 23 3HD2 LEU 23 5.821 -1.044 -4.263 154 H CYS 24 H CYS 24 8.479 0.424 0.621 155 HA CYS 24 HA CYS 24 7.266 0.999 3.256 156 1HB CYS 24 2HB CYS 24 9.503 2.641 2.112 157 2HB CYS 24 1HB CYS 24 9.212 2.159 3.780 158 H GLY 25 H GLY 25 5.235 1.799 2.362 159 1HA GLY 25 2HA GLY 25 4.820 3.798 0.492 160 2HA GLY 25 1HA GLY 25 3.833 3.641 1.944 161 H SER 26 H SER 26 4.710 6.110 0.599 162 HA SER 26 HA SER 26 6.852 7.453 1.783 163 1HB SER 26 2HB SER 26 5.773 8.729 0.172 164 2HB SER 26 1HB SER 26 4.169 8.325 0.781 165 HG SER 26 HG SER 26 4.654 10.434 1.360 166 H ASP 27 H ASP 27 3.942 6.375 3.326 167 HA ASP 27 HA ASP 27 4.247 8.244 5.583 168 1HB ASP 27 2HB ASP 27 2.271 7.184 6.500 169 2HB ASP 27 1HB ASP 27 1.991 7.476 4.783 170 H ASN 28 H ASN 28 6.358 6.232 4.872 171 HA ASN 28 HA ASN 28 7.787 4.745 5.990 172 1HB ASN 28 2HB ASN 28 7.024 6.769 7.796 173 2HB ASN 28 1HB ASN 28 6.871 5.257 8.692 174 1HD2 ASN 28 1HD2 ASN 28 8.798 4.284 9.412 175 2HD2 ASN 28 2HD2 ASN 28 10.353 4.795 8.961 176 H LYS 29 H LYS 29 5.128 3.812 5.190 177 HA LYS 29 HA LYS 29 4.603 1.815 7.351 178 1HB LYS 29 2HB LYS 29 2.684 3.278 6.694 179 2HB LYS 29 1HB LYS 29 2.795 2.624 5.058 180 1HG LYS 29 2HG LYS 29 1.109 1.360 6.222 181 2HG LYS 29 1HG LYS 29 2.527 0.322 6.061 182 1HD LYS 29 2HD LYS 29 2.569 0.074 8.295 183 2HD LYS 29 1HD LYS 29 2.863 1.804 8.459 184 1HE LYS 29 2HE LYS 29 0.879 1.760 9.590 185 2HE LYS 29 1HE LYS 29 0.194 1.821 7.966 186 1HZ LYS 29 1HZ LYS 29 -0.828 0.029 9.097 187 2HZ LYS 29 2HZ LYS 29 0.661 -0.583 9.638 188 3HZ LYS 29 3HZ LYS 29 0.258 -0.657 7.989 189 H THR 30 H THR 30 4.287 -0.411 6.674 190 HA THR 30 HA THR 30 5.656 -0.998 4.082 191 HB THR 30 HB THR 30 5.458 -2.658 6.611 192 HG1 THR 30 1HG THR 30 7.472 -2.041 6.934 193 1HG2 THR 30 1HG2 THR 30 5.975 -4.458 5.371 194 2HG2 THR 30 2HG2 THR 30 7.370 -3.613 4.696 195 3HG2 THR 30 3HG2 THR 30 5.795 -3.479 3.914 196 H TYR 31 H TYR 31 4.461 -2.032 2.544 197 HA TYR 31 HA TYR 31 1.780 -3.042 3.344 198 1HB TYR 31 2HB TYR 31 2.923 -2.107 0.702 199 2HB TYR 31 1HB TYR 31 1.337 -2.851 0.864 200 HD1 TYR 31 1HD TYR 31 3.307 0.155 1.347 201 HD2 TYR 31 2HD TYR 31 -0.413 -1.762 2.319 202 HE1 TYR 31 1HE TYR 31 2.366 2.339 2.047 203 HE2 TYR 31 2HE TYR 31 -1.355 0.423 3.019 204 HH TYR 31 HH TYR 31 0.284 2.954 3.833 205 H GLY 32 H GLY 32 1.174 -5.151 2.827 206 1HA GLY 32 2HA GLY 32 3.223 -7.134 2.611 207 2HA GLY 32 1HA GLY 32 1.498 -7.432 2.388 208 H ASN 33 H ASN 33 1.371 -5.392 0.205 209 HA ASN 33 HA ASN 33 3.153 -6.124 -1.908 210 1HB ASN 33 2HB ASN 33 1.220 -7.328 -3.228 211 2HB ASN 33 1HB ASN 33 2.216 -8.256 -2.105 212 1HD2 ASN 33 1HD2 ASN 33 0.925 -9.603 -0.852 213 2HD2 ASN 33 2HD2 ASN 33 -0.609 -9.202 -0.250 214 H LYS 34 H LYS 34 1.976 -5.505 -4.108 215 HA LYS 34 HA LYS 34 1.216 -2.782 -3.892 216 1HB LYS 34 2HB LYS 34 0.658 -2.924 -6.266 217 2HB LYS 34 1HB LYS 34 2.138 -3.831 -5.960 218 1HG LYS 34 2HG LYS 34 1.157 -5.843 -6.410 219 2HG LYS 34 1HG LYS 34 -0.385 -5.366 -5.696 220 1HD LYS 34 2HD LYS 34 -0.456 -3.725 -7.783 221 2HD LYS 34 1HD LYS 34 0.633 -4.927 -8.477 222 1HE LYS 34 2HE LYS 34 -1.318 -5.959 -9.066 223 2HE LYS 34 1HE LYS 34 -1.255 -6.558 -7.407 224 1HZ LYS 34 1HZ LYS 34 -3.071 -5.418 -6.917 225 2HZ LYS 34 2HZ LYS 34 -3.214 -4.973 -8.551 226 3HZ LYS 34 3HZ LYS 34 -2.380 -3.968 -7.465 227 H CYS 35 H CYS 35 -0.612 -5.630 -3.363 228 HA CYS 35 HA CYS 35 -3.204 -4.444 -4.032 229 1HB CYS 35 2HB CYS 35 -2.924 -6.898 -4.037 230 2HB CYS 35 1HB CYS 35 -2.532 -6.860 -2.317 231 H ASN 36 H ASN 36 -1.145 -4.779 -1.210 232 HA ASN 36 HA ASN 36 -3.136 -3.635 0.611 233 1HB ASN 36 2HB ASN 36 -0.835 -5.162 0.929 234 2HB ASN 36 1HB ASN 36 -0.338 -3.563 1.478 235 1HD2 ASN 36 1HD2 ASN 36 -2.883 -6.044 1.958 236 2HD2 ASN 36 2HD2 ASN 36 -3.254 -5.583 3.549 237 H PHE 37 H PHE 37 -0.535 -2.581 -1.444 238 HA PHE 37 HA PHE 37 -0.245 0.058 -0.258 239 1HB PHE 37 2HB PHE 37 1.526 -1.088 -1.666 240 2HB PHE 37 1HB PHE 37 0.485 -0.838 -3.067 241 HD1 PHE 37 1HD PHE 37 0.089 1.384 -3.978 242 HD2 PHE 37 2HD PHE 37 2.590 0.823 -0.531 243 HE1 PHE 37 1HE PHE 37 0.942 3.699 -4.219 244 HE2 PHE 37 2HE PHE 37 3.443 3.140 -0.773 245 HZ PHE 37 HZ PHE 37 2.617 4.577 -2.617 246 H CYS 38 H CYS 38 -2.225 -1.440 -2.731 247 HA CYS 38 HA CYS 38 -3.274 1.094 -3.746 248 1HB CYS 38 2HB CYS 38 -4.012 -1.808 -4.153 249 2HB CYS 38 1HB CYS 38 -4.976 -0.501 -4.837 250 H CYS 39 H CYS 39 -3.982 -1.090 -1.153 251 HA CYS 39 HA CYS 39 -6.757 -0.282 -0.811 252 1HB CYS 39 2HB CYS 39 -6.160 -2.416 0.091 253 2HB CYS 39 1HB CYS 39 -4.774 -1.742 0.947 254 H ALA 40 H ALA 40 -3.687 0.509 0.795 255 HA ALA 40 HA ALA 40 -4.864 2.462 2.566 256 1HB ALA 40 1HB ALA 40 -2.392 3.264 2.675 257 2HB ALA 40 2HB ALA 40 -2.048 1.853 1.674 258 3HB ALA 40 3HB ALA 40 -2.764 1.647 3.272 259 H VAL 41 H VAL 41 -3.785 2.495 -0.739 260 HA VAL 41 HA VAL 41 -3.486 5.364 -0.975 261 HB VAL 41 HB VAL 41 -4.002 3.200 -3.035 262 1HG1 VAL 41 1HG1 VAL 41 -3.646 4.805 -4.742 263 2HG1 VAL 41 2HG1 VAL 41 -3.047 6.008 -3.601 264 3HG1 VAL 41 3HG1 VAL 41 -4.761 5.596 -3.629 265 1HG2 VAL 41 1HG2 VAL 41 -1.466 4.735 -2.920 266 2HG2 VAL 41 2HG2 VAL 41 -1.728 3.015 -3.209 267 3HG2 VAL 41 3HG2 VAL 41 -1.759 3.648 -1.562 268 H VAL 42 H VAL 42 -6.155 3.092 -1.333 269 HA VAL 42 HA VAL 42 -7.987 5.152 -2.333 270 HB VAL 42 HB VAL 42 -8.477 2.321 -1.344 271 1HG1 VAL 42 1HG1 VAL 42 -10.633 3.008 -1.202 272 2HG1 VAL 42 2HG1 VAL 42 -10.593 3.049 -2.964 273 3HG1 VAL 42 3HG1 VAL 42 -10.295 4.522 -2.041 274 1HG2 VAL 42 1HG2 VAL 42 -7.889 3.590 -3.987 275 2HG2 VAL 42 2HG2 VAL 42 -9.026 2.242 -3.956 276 3HG2 VAL 42 3HG2 VAL 42 -7.380 2.023 -3.360 277 H GLU 43 H GLU 43 -6.863 4.020 0.713 278 HA GLU 43 HA GLU 43 -9.187 4.898 2.254 279 1HB GLU 43 2HB GLU 43 -6.439 3.867 2.877 280 2HB GLU 43 1HB GLU 43 -7.316 4.737 4.136 281 1HG GLU 43 2HG GLU 43 -9.115 2.897 2.866 282 2HG GLU 43 1HG GLU 43 -7.655 2.029 3.339 283 H SER 44 H SER 44 -6.152 6.259 1.144 284 HA SER 44 HA SER 44 -6.490 8.690 2.782 285 1HB SER 44 2HB SER 44 -4.376 7.553 1.025 286 2HB SER 44 1HB SER 44 -4.472 9.310 1.090 287 HG SER 44 HG SER 44 -4.716 8.580 3.551 288 H ASN 45 H ASN 45 -7.820 7.518 -0.029 289 HA ASN 45 HA ASN 45 -9.159 8.582 -1.641 290 1HB ASN 45 2HB ASN 45 -9.536 10.197 0.369 291 2HB ASN 45 1HB ASN 45 -8.395 11.251 -0.471 292 1HD2 ASN 45 1HD2 ASN 45 -9.028 12.064 -2.621 293 2HD2 ASN 45 2HD2 ASN 45 -10.654 12.046 -3.110 294 H GLY 46 H GLY 46 -6.003 8.483 -1.514 295 1HA GLY 46 2HA GLY 46 -4.715 8.638 -3.598 296 2HA GLY 46 1HA GLY 46 -5.674 10.054 -4.030 297 H THR 47 H THR 47 -4.999 10.279 -0.781 298 HA THR 47 HA THR 47 -2.885 12.277 -1.320 299 HB THR 47 HB THR 47 -3.204 12.732 1.185 300 HG1 THR 47 1HG THR 47 -4.272 11.172 2.095 301 1HG2 THR 47 1HG2 THR 47 -4.733 14.298 0.586 302 2HG2 THR 47 2HG2 THR 47 -5.872 13.088 -0.008 303 3HG2 THR 47 3HG2 THR 47 -4.544 13.629 -1.035 304 H LEU 48 H LEU 48 -2.789 9.082 -0.982 305 HA LEU 48 HA LEU 48 -0.465 9.065 0.891 306 1HB LEU 48 2HB LEU 48 -2.148 7.445 1.502 307 2HB LEU 48 1HB LEU 48 -2.246 6.845 -0.153 308 HG LEU 48 HG LEU 48 0.232 6.252 0.069 309 1HD1 LEU 48 1HD1 LEU 48 0.725 5.797 2.614 310 2HD1 LEU 48 2HD1 LEU 48 -0.453 7.083 2.872 311 3HD1 LEU 48 3HD1 LEU 48 1.012 7.404 1.944 312 1HD2 LEU 48 1HD2 LEU 48 -0.275 4.129 1.079 313 2HD2 LEU 48 2HD2 LEU 48 -1.737 4.653 0.243 314 3HD2 LEU 48 3HD2 LEU 48 -1.614 4.820 1.994 315 H THR 49 H THR 49 1.513 7.997 0.169 316 HA THR 49 HA THR 49 1.661 7.459 -2.754 317 HB THR 49 HB THR 49 3.603 8.873 -3.034 318 HG1 THR 49 1HG THR 49 4.021 10.247 -1.038 319 1HG2 THR 49 1HG2 THR 49 1.550 10.436 -1.453 320 2HG2 THR 49 2HG2 THR 49 1.313 9.919 -3.121 321 3HG2 THR 49 3HG2 THR 49 2.607 11.049 -2.724 322 H LEU 50 H LEU 50 4.486 7.238 -2.785 323 HA LEU 50 HA LEU 50 4.909 4.864 -1.022 324 1HB LEU 50 2HB LEU 50 4.692 4.179 -3.356 325 2HB LEU 50 1HB LEU 50 5.878 5.386 -3.851 326 HG LEU 50 HG LEU 50 7.565 4.229 -2.383 327 1HD1 LEU 50 1HD1 LEU 50 6.226 3.038 -0.822 328 2HD1 LEU 50 2HD1 LEU 50 6.907 1.791 -1.865 329 3HD1 LEU 50 3HD1 LEU 50 5.240 2.320 -2.094 330 1HD2 LEU 50 1HD2 LEU 50 7.301 3.813 -4.865 331 2HD2 LEU 50 2HD2 LEU 50 6.316 2.408 -4.459 332 3HD2 LEU 50 3HD2 LEU 50 8.010 2.466 -3.973 333 H SER 51 H SER 51 7.209 4.544 -0.387 334 HA SER 51 HA SER 51 8.690 7.143 -0.367 335 1HB SER 51 2HB SER 51 7.707 5.735 1.809 336 2HB SER 51 1HB SER 51 9.397 5.246 1.747 337 HG SER 51 HG SER 51 8.503 7.428 2.762 338 H HIS 52 H HIS 52 8.963 3.612 -0.657 339 HA HIS 52 HA HIS 52 11.045 3.566 -2.463 340 1HB HIS 52 2HB HIS 52 12.873 4.337 -1.384 341 2HB HIS 52 1HB HIS 52 11.965 4.500 0.113 342 HD1 HIS 52 1HD HIS 52 11.814 2.267 1.615 343 HD2 HIS 52 2HD HIS 52 14.700 2.228 -1.390 344 HE1 HIS 52 1HE HIS 52 13.358 0.337 2.135 345 H PHE 53 H PHE 53 10.739 1.552 -3.166 346 HA PHE 53 HA PHE 53 9.395 -0.574 -2.069 347 1HB PHE 53 2HB PHE 53 11.310 -0.228 -4.173 348 2HB PHE 53 1HB PHE 53 11.709 -1.707 -3.303 349 HD1 PHE 53 1HD PHE 53 9.332 -2.957 -2.509 350 HD2 PHE 53 2HD PHE 53 9.995 -0.607 -6.042 351 HE1 PHE 53 1HE PHE 53 7.462 -4.131 -3.641 352 HE2 PHE 53 2HE PHE 53 8.125 -1.780 -7.174 353 HZ PHE 53 HZ PHE 53 6.860 -3.542 -5.973 354 H GLY 54 H GLY 54 9.756 -2.074 -0.430 355 1HA GLY 54 2HA GLY 54 11.767 -3.395 0.613 356 2HA GLY 54 1HA GLY 54 12.303 -1.784 1.093 357 H LYS 55 H LYS 55 12.010 -3.207 3.235 358 HA LYS 55 HA LYS 55 9.216 -3.114 4.200 359 1HB LYS 55 2HB LYS 55 11.039 -4.991 4.631 360 2HB LYS 55 1HB LYS 55 11.508 -3.914 5.948 361 1HG LYS 55 2HG LYS 55 9.895 -5.217 7.000 362 2HG LYS 55 1HG LYS 55 8.915 -3.867 6.426 363 1HD LYS 55 2HD LYS 55 7.633 -5.483 5.472 364 2HD LYS 55 1HD LYS 55 8.896 -5.518 4.240 365 1HE LYS 55 2HE LYS 55 9.053 -7.722 4.784 366 2HE LYS 55 1HE LYS 55 9.982 -7.135 6.163 367 1HZ LYS 55 1HZ LYS 55 7.503 -8.448 6.162 368 2HZ LYS 55 2HZ LYS 55 7.279 -6.886 6.792 369 3HZ LYS 55 3HZ LYS 55 8.423 -7.931 7.490 370 H CYS 56 H CYS 56 8.862 -0.847 4.444 371 HA CYS 56 HA CYS 56 9.887 0.268 6.923 372 1HB CYS 56 2HB CYS 56 10.465 2.359 5.070 373 2HB CYS 56 1HB CYS 56 11.566 1.554 6.175 Start of MODEL 13 1 1H ALA 3 1HT ALA 3 1.485 11.313 -4.957 2 2H ALA 3 2HT ALA 3 0.859 12.237 -6.238 3 3H ALA 3 3HT ALA 3 2.341 11.422 -6.417 4 HA ALA 3 HA ALA 3 0.093 9.739 -5.704 5 1HB ALA 3 1HB ALA 3 -0.706 9.716 -8.083 6 2HB ALA 3 2HB ALA 3 0.295 11.135 -8.387 7 3HB ALA 3 3HB ALA 3 -1.047 11.230 -7.246 8 H VAL 4 H VAL 4 2.494 10.476 -8.267 9 HA VAL 4 HA VAL 4 4.218 9.131 -9.128 10 HB VAL 4 HB VAL 4 3.667 7.244 -6.825 11 1HG1 VAL 4 1HG1 VAL 4 5.931 7.784 -8.723 12 2HG1 VAL 4 2HG1 VAL 4 5.250 6.240 -8.214 13 3HG1 VAL 4 3HG1 VAL 4 6.283 7.152 -7.114 14 1HG2 VAL 4 1HG2 VAL 4 4.115 9.901 -6.447 15 2HG2 VAL 4 2HG2 VAL 4 5.776 9.317 -6.567 16 3HG2 VAL 4 3HG2 VAL 4 4.694 8.653 -5.341 17 H SER 5 H SER 5 4.226 7.518 -10.690 18 HA SER 5 HA SER 5 1.788 6.427 -11.608 19 1HB SER 5 2HB SER 5 3.291 4.827 -12.898 20 2HB SER 5 1HB SER 5 3.643 6.537 -13.119 21 HG SER 5 HG SER 5 5.427 4.950 -12.572 22 H VAL 6 H VAL 6 0.557 5.190 -10.230 23 HA VAL 6 HA VAL 6 1.847 2.723 -9.141 24 HB VAL 6 HB VAL 6 1.432 4.472 -7.366 25 1HG1 VAL 6 1HG1 VAL 6 -0.837 4.998 -6.740 26 2HG1 VAL 6 2HG1 VAL 6 -1.483 3.845 -7.909 27 3HG1 VAL 6 3HG1 VAL 6 -0.684 5.316 -8.467 28 1HG2 VAL 6 1HG2 VAL 6 -0.251 1.958 -7.133 29 2HG2 VAL 6 2HG2 VAL 6 0.420 2.894 -5.797 30 3HG2 VAL 6 3HG2 VAL 6 1.495 2.020 -6.889 31 H ASP 7 H ASP 7 0.164 0.994 -8.684 32 HA ASP 7 HA ASP 7 -1.972 1.158 -10.764 33 1HB ASP 7 2HB ASP 7 -0.912 -1.359 -9.465 34 2HB ASP 7 1HB ASP 7 -1.854 -1.220 -10.950 35 H CYS 8 H CYS 8 -3.067 2.435 -8.892 36 HA CYS 8 HA CYS 8 -4.719 0.474 -7.381 37 1HB CYS 8 2HB CYS 8 -3.793 3.090 -6.175 38 2HB CYS 8 1HB CYS 8 -4.615 1.760 -5.361 39 H SER 9 H SER 9 -4.853 2.399 -9.792 40 HA SER 9 HA SER 9 -6.576 4.541 -9.439 41 1HB SER 9 2HB SER 9 -5.780 2.876 -11.622 42 2HB SER 9 1HB SER 9 -7.528 3.081 -11.705 43 HG SER 9 HG SER 9 -6.981 5.402 -11.291 44 H GLU 10 H GLU 10 -7.986 4.084 -7.702 45 HA GLU 10 HA GLU 10 -10.057 3.459 -6.794 46 1HB GLU 10 2HB GLU 10 -10.482 3.689 -9.574 47 2HB GLU 10 1HB GLU 10 -11.223 2.159 -9.103 48 1HG GLU 10 2HG GLU 10 -12.155 3.608 -7.088 49 2HG GLU 10 1HG GLU 10 -11.891 4.939 -8.214 50 H TYR 11 H TYR 11 -8.462 1.786 -5.829 51 HA TYR 11 HA TYR 11 -9.361 -0.948 -6.657 52 1HB TYR 11 2HB TYR 11 -6.741 0.071 -6.614 53 2HB TYR 11 1HB TYR 11 -6.864 -0.959 -5.187 54 HD1 TYR 11 1HD TYR 11 -7.890 -0.962 -8.800 55 HD2 TYR 11 2HD TYR 11 -6.462 -3.237 -5.447 56 HE1 TYR 11 1HE TYR 11 -7.727 -2.977 -10.237 57 HE2 TYR 11 2HE TYR 11 -6.300 -5.252 -6.884 58 HH TYR 11 HH TYR 11 -6.203 -5.915 -9.113 59 HA PRO 12 HA PRO 12 -10.350 -0.143 -2.155 60 1HB PRO 12 2HB PRO 12 -13.083 -0.293 -2.400 61 2HB PRO 12 1HB PRO 12 -12.175 1.225 -2.525 62 1HG PRO 12 2HG PRO 12 -13.423 -0.404 -4.697 63 2HG PRO 12 1HG PRO 12 -13.124 1.341 -4.634 64 1HD PRO 12 2HD PRO 12 -11.559 -0.528 -6.048 65 2HD PRO 12 1HD PRO 12 -11.078 1.129 -5.629 66 H LYS 13 H LYS 13 -9.488 -2.314 -1.852 67 HA LYS 13 HA LYS 13 -11.500 -4.340 -1.383 68 1HB LYS 13 2HB LYS 13 -10.220 -5.971 -3.021 69 2HB LYS 13 1HB LYS 13 -11.501 -4.925 -3.638 70 1HG LYS 13 2HG LYS 13 -9.800 -3.244 -4.288 71 2HG LYS 13 1HG LYS 13 -8.528 -4.321 -3.707 72 1HD LYS 13 2HD LYS 13 -10.535 -5.211 -5.783 73 2HD LYS 13 1HD LYS 13 -9.041 -4.387 -6.229 74 1HE LYS 13 2HE LYS 13 -7.773 -6.127 -4.925 75 2HE LYS 13 1HE LYS 13 -9.294 -6.993 -4.703 76 1HZ LYS 13 1HZ LYS 13 -8.074 -7.844 -6.599 77 2HZ LYS 13 2HZ LYS 13 -8.051 -6.303 -7.313 78 3HZ LYS 13 3HZ LYS 13 -9.523 -7.126 -7.107 79 H CYS 14 H CYS 14 -10.559 -4.524 0.667 80 HA CYS 14 HA CYS 14 -7.665 -5.053 0.882 81 1HB CYS 14 2HB CYS 14 -9.849 -4.288 2.714 82 2HB CYS 14 1HB CYS 14 -8.669 -5.403 3.404 83 H ALA 15 H ALA 15 -9.539 -6.998 -0.432 84 HA ALA 15 HA ALA 15 -9.117 -9.309 1.422 85 1HB ALA 15 1HB ALA 15 -11.019 -10.367 0.485 86 2HB ALA 15 2HB ALA 15 -11.022 -9.303 -0.921 87 3HB ALA 15 3HB ALA 15 -11.511 -8.682 0.655 88 H CYS 16 H CYS 16 -6.938 -9.621 0.664 89 HA CYS 16 HA CYS 16 -6.784 -10.622 -2.153 90 1HB CYS 16 2HB CYS 16 -4.970 -8.882 -0.561 91 2HB CYS 16 1HB CYS 16 -4.206 -10.074 -1.613 92 H THR 17 H THR 17 -4.652 -12.056 -2.283 93 HA THR 17 HA THR 17 -5.157 -14.316 -0.504 94 HB THR 17 HB THR 17 -2.990 -13.982 -2.596 95 HG1 THR 17 1HG THR 17 -5.048 -13.672 -3.478 96 1HG2 THR 17 1HG2 THR 17 -2.369 -15.954 -1.644 97 2HG2 THR 17 2HG2 THR 17 -3.729 -16.611 -2.554 98 3HG2 THR 17 3HG2 THR 17 -3.931 -16.178 -0.857 99 H MET 18 H MET 18 -1.827 -14.168 -1.206 100 HA MET 18 HA MET 18 -1.167 -12.851 1.366 101 1HB MET 18 2HB MET 18 -0.015 -15.563 0.704 102 2HB MET 18 1HB MET 18 -0.013 -14.718 2.253 103 1HG MET 18 2HG MET 18 -2.547 -14.888 2.224 104 2HG MET 18 1HG MET 18 -2.377 -15.977 0.845 105 1HE MET 18 1HE MET 18 -3.562 -17.996 2.030 106 2HE MET 18 2HE MET 18 -3.918 -16.778 3.251 107 3HE MET 18 3HE MET 18 -3.312 -18.357 3.744 108 H GLU 19 H GLU 19 -0.719 -11.885 -1.235 109 HA GLU 19 HA GLU 19 1.854 -12.563 -2.297 110 1HB GLU 19 2HB GLU 19 -0.205 -10.938 -3.093 111 2HB GLU 19 1HB GLU 19 0.998 -9.750 -2.587 112 1HG GLU 19 2HG GLU 19 2.315 -10.186 -4.370 113 2HG GLU 19 1HG GLU 19 2.179 -11.929 -4.135 114 H TYR 20 H TYR 20 3.894 -11.522 -1.962 115 HA TYR 20 HA TYR 20 4.003 -9.766 0.455 116 1HB TYR 20 2HB TYR 20 4.881 -12.273 0.574 117 2HB TYR 20 1HB TYR 20 6.302 -11.554 -0.184 118 HD1 TYR 20 1HD TYR 20 3.862 -10.426 2.443 119 HD2 TYR 20 2HD TYR 20 7.970 -11.054 1.354 120 HE1 TYR 20 1HE TYR 20 4.586 -9.509 4.632 121 HE2 TYR 20 2HE TYR 20 8.692 -10.138 3.541 122 HH TYR 20 HH TYR 20 7.596 -9.932 5.896 123 H ARG 21 H ARG 21 4.679 -7.823 -0.162 124 HA ARG 21 HA ARG 21 7.036 -7.563 -1.930 125 1HB ARG 21 2HB ARG 21 4.677 -5.753 -2.407 126 2HB ARG 21 1HB ARG 21 6.016 -6.135 -3.487 127 1HG ARG 21 2HG ARG 21 4.069 -8.276 -2.640 128 2HG ARG 21 1HG ARG 21 3.701 -7.202 -3.988 129 1HD ARG 21 2HD ARG 21 5.179 -8.234 -5.354 130 2HD ARG 21 1HD ARG 21 6.423 -8.279 -4.104 131 HE ARG 21 HE ARG 21 4.564 -10.208 -3.329 132 1HH1 ARG 21 1HH2 ARG 21 7.307 -9.847 -5.222 133 2HH1 ARG 21 2HH2 ARG 21 7.138 -11.348 -6.070 134 1HH2 ARG 21 1HH1 ARG 21 3.979 -12.014 -4.803 135 2HH2 ARG 21 2HH1 ARG 21 5.253 -12.574 -5.836 136 HA PRO 22 HA PRO 22 7.256 -4.883 1.734 137 1HB PRO 22 2HB PRO 22 9.986 -5.093 1.960 138 2HB PRO 22 1HB PRO 22 8.844 -6.253 2.661 139 1HG PRO 22 2HG PRO 22 10.564 -6.539 0.236 140 2HG PRO 22 1HG PRO 22 9.955 -7.788 1.335 141 1HD PRO 22 2HD PRO 22 8.895 -7.197 -1.208 142 2HD PRO 22 1HD PRO 22 8.076 -8.137 0.058 143 H LEU 23 H LEU 23 6.838 -2.886 0.867 144 HA LEU 23 HA LEU 23 9.039 -1.558 -0.699 145 1HB LEU 23 2HB LEU 23 6.132 -0.756 -0.732 146 2HB LEU 23 1HB LEU 23 7.387 -0.246 -1.850 147 HG LEU 23 HG LEU 23 6.159 -3.009 -1.583 148 1HD1 LEU 23 1HD1 LEU 23 5.718 -0.718 -3.292 149 2HD1 LEU 23 2HD1 LEU 23 4.829 -2.238 -3.222 150 3HD1 LEU 23 3HD1 LEU 23 6.252 -2.100 -4.248 151 1HD2 LEU 23 1HD2 LEU 23 8.265 -3.715 -2.109 152 2HD2 LEU 23 2HD2 LEU 23 8.767 -2.118 -2.664 153 3HD2 LEU 23 3HD2 LEU 23 7.831 -3.167 -3.729 154 H CYS 24 H CYS 24 8.814 0.964 -0.424 155 HA CYS 24 HA CYS 24 8.413 1.474 2.497 156 1HB CYS 24 2HB CYS 24 10.329 2.543 0.466 157 2HB CYS 24 1HB CYS 24 9.794 3.636 1.743 158 H GLY 25 H GLY 25 6.245 2.073 2.553 159 1HA GLY 25 2HA GLY 25 5.046 3.727 0.484 160 2HA GLY 25 1HA GLY 25 4.268 3.220 1.981 161 H SER 26 H SER 26 4.651 5.905 0.491 162 HA SER 26 HA SER 26 6.240 7.617 2.147 163 1HB SER 26 2HB SER 26 4.386 7.910 -0.033 164 2HB SER 26 1HB SER 26 4.003 9.093 1.215 165 HG SER 26 HG SER 26 5.697 10.138 0.575 166 H ASP 27 H ASP 27 3.417 5.914 2.887 167 HA ASP 27 HA ASP 27 2.314 7.876 4.753 168 1HB ASP 27 2HB ASP 27 0.726 6.097 5.338 169 2HB ASP 27 1HB ASP 27 0.847 6.262 3.587 170 H ASN 28 H ASN 28 5.130 6.430 4.954 171 HA ASN 28 HA ASN 28 6.520 6.057 6.822 172 1HB ASN 28 2HB ASN 28 4.713 7.666 7.897 173 2HB ASN 28 1HB ASN 28 4.168 6.183 8.679 174 1HD2 ASN 28 1HD2 ASN 28 5.199 5.752 10.634 175 2HD2 ASN 28 2HD2 ASN 28 6.745 6.305 11.065 176 H LYS 29 H LYS 29 4.951 3.959 5.355 177 HA LYS 29 HA LYS 29 5.398 1.820 7.348 178 1HB LYS 29 2HB LYS 29 2.724 2.667 6.399 179 2HB LYS 29 1HB LYS 29 3.027 0.931 6.361 180 1HG LYS 29 2HG LYS 29 3.572 2.658 8.789 181 2HG LYS 29 1HG LYS 29 2.054 1.794 8.539 182 1HD LYS 29 2HD LYS 29 3.122 -0.325 8.610 183 2HD LYS 29 1HD LYS 29 4.724 0.388 8.420 184 1HE LYS 29 2HE LYS 29 4.285 1.587 10.643 185 2HE LYS 29 1HE LYS 29 2.916 0.492 10.839 186 1HZ LYS 29 1HZ LYS 29 4.344 -1.373 10.774 187 2HZ LYS 29 2HZ LYS 29 5.043 -0.272 11.863 188 3HZ LYS 29 3HZ LYS 29 5.677 -0.439 10.296 189 H THR 30 H THR 30 5.933 -0.150 6.332 190 HA THR 30 HA THR 30 6.653 0.101 3.519 191 HB THR 30 HB THR 30 7.086 -1.934 5.675 192 HG1 THR 30 1HG THR 30 8.906 -0.935 5.530 193 1HG2 THR 30 1HG2 THR 30 8.025 -3.536 4.058 194 2HG2 THR 30 2HG2 THR 30 7.509 -2.511 2.725 195 3HG2 THR 30 3HG2 THR 30 6.308 -3.286 3.754 196 H TYR 31 H TYR 31 6.028 -1.690 1.955 197 HA TYR 31 HA TYR 31 3.105 -2.032 1.996 198 1HB TYR 31 2HB TYR 31 5.267 -2.703 -0.006 199 2HB TYR 31 1HB TYR 31 3.609 -3.211 -0.219 200 HD1 TYR 31 1HD TYR 31 4.512 0.039 1.306 201 HD2 TYR 31 2HD TYR 31 3.271 -2.017 -2.253 202 HE1 TYR 31 1HE TYR 31 4.056 2.204 0.192 203 HE2 TYR 31 2HE TYR 31 2.821 0.151 -3.359 204 HH TYR 31 HH TYR 31 3.361 2.425 -3.203 205 H GLY 32 H GLY 32 2.225 -3.903 2.840 206 1HA GLY 32 2HA GLY 32 3.885 -6.258 3.372 207 2HA GLY 32 1HA GLY 32 2.117 -6.178 3.530 208 H ASN 33 H ASN 33 1.921 -4.888 0.910 209 HA ASN 33 HA ASN 33 2.973 -6.280 -1.253 210 1HB ASN 33 2HB ASN 33 1.062 -7.755 -1.909 211 2HB ASN 33 1HB ASN 33 1.884 -8.317 -0.460 212 1HD2 ASN 33 1HD2 ASN 33 0.418 -9.009 1.091 213 2HD2 ASN 33 2HD2 ASN 33 -1.119 -8.336 1.353 214 H LYS 34 H LYS 34 2.032 -5.395 -3.208 215 HA LYS 34 HA LYS 34 1.070 -2.791 -3.024 216 1HB LYS 34 2HB LYS 34 2.056 -4.023 -5.058 217 2HB LYS 34 1HB LYS 34 0.406 -4.566 -5.367 218 1HG LYS 34 2HG LYS 34 -0.349 -2.440 -5.874 219 2HG LYS 34 1HG LYS 34 0.851 -1.655 -4.847 220 1HD LYS 34 2HD LYS 34 2.181 -3.126 -6.943 221 2HD LYS 34 1HD LYS 34 0.984 -2.038 -7.645 222 1HE LYS 34 2HE LYS 34 2.239 -0.228 -7.167 223 2HE LYS 34 1HE LYS 34 2.430 -0.737 -5.489 224 1HZ LYS 34 1HZ LYS 34 3.990 -1.842 -7.759 225 2HZ LYS 34 2HZ LYS 34 4.230 -2.156 -6.107 226 3HZ LYS 34 3HZ LYS 34 4.542 -0.608 -6.735 227 H CYS 35 H CYS 35 -0.732 -5.689 -2.561 228 HA CYS 35 HA CYS 35 -3.307 -4.542 -3.344 229 1HB CYS 35 2HB CYS 35 -2.899 -6.998 -3.329 230 2HB CYS 35 1HB CYS 35 -2.713 -6.933 -1.576 231 H ASN 36 H ASN 36 -1.362 -4.758 -0.469 232 HA ASN 36 HA ASN 36 -3.408 -3.773 1.353 233 1HB ASN 36 2HB ASN 36 -0.858 -5.021 1.550 234 2HB ASN 36 1HB ASN 36 -0.705 -3.433 2.289 235 1HD2 ASN 36 1HD2 ASN 36 -1.969 -6.619 2.746 236 2HD2 ASN 36 2HD2 ASN 36 -2.783 -6.322 4.205 237 H PHE 37 H PHE 37 -1.029 -2.523 -0.817 238 HA PHE 37 HA PHE 37 -0.858 0.104 0.455 239 1HB PHE 37 2HB PHE 37 1.053 -0.809 -0.870 240 2HB PHE 37 1HB PHE 37 0.030 -0.796 -2.308 241 HD1 PHE 37 1HD PHE 37 -0.060 1.104 -3.655 242 HD2 PHE 37 2HD PHE 37 1.174 1.516 0.446 243 HE1 PHE 37 1HE PHE 37 0.383 3.515 -4.028 244 HE2 PHE 37 2HE PHE 37 1.627 3.929 0.067 245 HZ PHE 37 HZ PHE 37 1.219 4.923 -2.172 246 H CYS 38 H CYS 38 -2.260 -1.168 -2.570 247 HA CYS 38 HA CYS 38 -3.534 1.257 -3.358 248 1HB CYS 38 2HB CYS 38 -4.370 -1.614 -3.889 249 2HB CYS 38 1HB CYS 38 -4.997 -0.203 -4.740 250 H CYS 39 H CYS 39 -4.347 -1.211 -1.038 251 HA CYS 39 HA CYS 39 -7.126 -0.416 -0.700 252 1HB CYS 39 2HB CYS 39 -5.818 -2.619 0.045 253 2HB CYS 39 1HB CYS 39 -5.582 -1.690 1.524 254 H ALA 40 H ALA 40 -4.087 0.260 0.996 255 HA ALA 40 HA ALA 40 -5.291 2.032 2.940 256 1HB ALA 40 1HB ALA 40 -2.747 2.847 2.973 257 2HB ALA 40 2HB ALA 40 -2.511 1.346 2.079 258 3HB ALA 40 3HB ALA 40 -3.224 1.308 3.691 259 H VAL 41 H VAL 41 -4.485 2.319 -0.371 260 HA VAL 41 HA VAL 41 -4.027 5.197 -0.380 261 HB VAL 41 HB VAL 41 -4.634 3.201 -2.574 262 1HG1 VAL 41 1HG1 VAL 41 -5.400 5.095 -3.635 263 2HG1 VAL 41 2HG1 VAL 41 -3.674 5.326 -3.912 264 3HG1 VAL 41 3HG1 VAL 41 -4.477 6.179 -2.594 265 1HG2 VAL 41 1HG2 VAL 41 -2.373 3.306 -1.287 266 2HG2 VAL 41 2HG2 VAL 41 -2.113 4.805 -2.176 267 3HG2 VAL 41 3HG2 VAL 41 -2.330 3.288 -3.049 268 H VAL 42 H VAL 42 -6.747 3.064 -1.199 269 HA VAL 42 HA VAL 42 -8.539 5.183 -1.936 270 HB VAL 42 HB VAL 42 -9.205 2.435 -0.834 271 1HG1 VAL 42 1HG1 VAL 42 -10.852 4.179 -2.677 272 2HG1 VAL 42 2HG1 VAL 42 -11.025 4.247 -0.923 273 3HG1 VAL 42 3HG1 VAL 42 -11.367 2.747 -1.784 274 1HG2 VAL 42 1HG2 VAL 42 -8.699 3.442 -3.651 275 2HG2 VAL 42 2HG2 VAL 42 -9.438 1.882 -3.289 276 3HG2 VAL 42 3HG2 VAL 42 -7.781 2.213 -2.782 277 H GLU 43 H GLU 43 -7.518 3.895 1.143 278 HA GLU 43 HA GLU 43 -9.759 5.159 2.584 279 1HB GLU 43 2HB GLU 43 -8.786 4.229 4.572 280 2HB GLU 43 1HB GLU 43 -8.646 2.996 3.319 281 1HG GLU 43 2HG GLU 43 -6.333 3.549 2.931 282 2HG GLU 43 1HG GLU 43 -6.439 4.963 3.978 283 H SER 44 H SER 44 -6.468 5.901 1.682 284 HA SER 44 HA SER 44 -6.253 8.121 3.593 285 1HB SER 44 2HB SER 44 -4.242 6.857 2.908 286 2HB SER 44 1HB SER 44 -4.496 7.354 1.238 287 HG SER 44 HG SER 44 -3.247 8.659 3.188 288 H ASN 45 H ASN 45 -8.080 7.735 0.923 289 HA ASN 45 HA ASN 45 -9.269 9.338 -0.331 290 1HB ASN 45 2HB ASN 45 -8.214 10.838 1.787 291 2HB ASN 45 1HB ASN 45 -7.702 11.697 0.334 292 1HD2 ASN 45 1HD2 ASN 45 -10.711 9.889 1.206 293 2HD2 ASN 45 2HD2 ASN 45 -11.763 11.144 0.758 294 H GLY 46 H GLY 46 -6.365 8.195 -0.808 295 1HA GLY 46 2HA GLY 46 -5.313 8.088 -2.980 296 2HA GLY 46 1HA GLY 46 -6.015 9.659 -3.367 297 H THR 47 H THR 47 -4.837 9.776 -0.249 298 HA THR 47 HA THR 47 -2.576 11.433 -1.079 299 HB THR 47 HB THR 47 -3.802 10.694 1.578 300 HG1 THR 47 1HG THR 47 -3.595 12.984 -0.044 301 1HG2 THR 47 1HG2 THR 47 -1.990 12.699 2.115 302 2HG2 THR 47 2HG2 THR 47 -1.094 11.663 1.004 303 3HG2 THR 47 3HG2 THR 47 -1.758 10.992 2.494 304 H LEU 48 H LEU 48 -3.097 8.253 0.375 305 HA LEU 48 HA LEU 48 -0.557 7.598 1.303 306 1HB LEU 48 2HB LEU 48 -2.792 6.150 0.908 307 2HB LEU 48 1HB LEU 48 -1.837 5.564 -0.455 308 HG LEU 48 HG LEU 48 0.047 5.492 1.484 309 1HD1 LEU 48 1HD1 LEU 48 -2.575 4.839 2.862 310 2HD1 LEU 48 2HD1 LEU 48 -1.569 6.246 3.207 311 3HD1 LEU 48 3HD1 LEU 48 -0.963 4.625 3.545 312 1HD2 LEU 48 1HD2 LEU 48 -0.996 3.682 -0.105 313 2HD2 LEU 48 2HD2 LEU 48 -1.914 3.220 1.327 314 3HD2 LEU 48 3HD2 LEU 48 -0.152 3.166 1.354 315 H THR 49 H THR 49 1.387 6.840 0.305 316 HA THR 49 HA THR 49 1.496 6.847 -2.648 317 HB THR 49 HB THR 49 3.615 8.392 -2.306 318 HG1 THR 49 1HG THR 49 3.255 9.875 -0.675 319 1HG2 THR 49 1HG2 THR 49 2.366 9.789 -3.549 320 2HG2 THR 49 2HG2 THR 49 1.273 10.099 -2.200 321 3HG2 THR 49 3HG2 THR 49 1.005 8.707 -3.249 322 H LEU 50 H LEU 50 4.167 6.803 -3.036 323 HA LEU 50 HA LEU 50 5.092 4.381 -1.544 324 1HB LEU 50 2HB LEU 50 4.650 4.101 -4.007 325 2HB LEU 50 1HB LEU 50 5.864 5.337 -4.329 326 HG LEU 50 HG LEU 50 7.614 3.972 -3.389 327 1HD1 LEU 50 1HD1 LEU 50 7.104 1.737 -2.417 328 2HD1 LEU 50 2HD1 LEU 50 5.385 2.075 -2.595 329 3HD1 LEU 50 3HD1 LEU 50 6.359 3.039 -1.489 330 1HD2 LEU 50 1HD2 LEU 50 6.383 1.710 -4.728 331 2HD2 LEU 50 2HD2 LEU 50 7.736 2.711 -5.254 332 3HD2 LEU 50 3HD2 LEU 50 6.082 3.205 -5.616 333 H SER 51 H SER 51 7.651 4.347 -1.631 334 HA SER 51 HA SER 51 8.753 7.095 -1.412 335 1HB SER 51 2HB SER 51 7.970 5.896 0.852 336 2HB SER 51 1HB SER 51 9.552 5.143 0.694 337 HG SER 51 HG SER 51 9.246 7.920 0.350 338 H HIS 52 H HIS 52 9.324 3.603 -1.607 339 HA HIS 52 HA HIS 52 11.303 3.723 -3.547 340 1HB HIS 52 2HB HIS 52 13.149 4.560 -2.565 341 2HB HIS 52 1HB HIS 52 12.265 4.774 -1.062 342 HD1 HIS 52 1HD HIS 52 12.384 2.784 0.679 343 HD2 HIS 52 2HD HIS 52 14.920 2.368 -2.603 344 HE1 HIS 52 1HE HIS 52 14.037 0.961 1.277 345 H PHE 53 H PHE 53 10.971 1.708 -4.252 346 HA PHE 53 HA PHE 53 9.956 -0.499 -2.896 347 1HB PHE 53 2HB PHE 53 11.548 -0.083 -5.333 348 2HB PHE 53 1HB PHE 53 11.808 -1.663 -4.599 349 HD1 PHE 53 1HD PHE 53 10.424 -3.364 -5.352 350 HD2 PHE 53 2HD PHE 53 8.912 0.655 -5.229 351 HE1 PHE 53 1HE PHE 53 8.263 -4.149 -6.284 352 HE2 PHE 53 2HE PHE 53 6.753 -0.130 -6.161 353 HZ PHE 53 HZ PHE 53 6.428 -2.531 -6.688 354 H GLY 54 H GLY 54 10.771 -1.825 -1.294 355 1HA GLY 54 2HA GLY 54 12.928 -3.087 -0.655 356 2HA GLY 54 1HA GLY 54 13.659 -1.481 -0.606 357 H LYS 55 H LYS 55 13.399 -3.368 1.617 358 HA LYS 55 HA LYS 55 11.254 -2.536 3.358 359 1HB LYS 55 2HB LYS 55 12.358 -4.655 3.758 360 2HB LYS 55 1HB LYS 55 13.922 -3.858 3.933 361 1HG LYS 55 2HG LYS 55 13.490 -3.204 6.068 362 2HG LYS 55 1HG LYS 55 11.808 -2.810 5.706 363 1HD LYS 55 2HD LYS 55 11.063 -4.935 6.178 364 2HD LYS 55 1HD LYS 55 12.573 -5.692 5.669 365 1HE LYS 55 2HE LYS 55 13.147 -5.839 7.842 366 2HE LYS 55 1HE LYS 55 13.256 -4.079 7.870 367 1HZ LYS 55 1HZ LYS 55 11.466 -5.646 9.252 368 2HZ LYS 55 2HZ LYS 55 10.553 -4.934 8.009 369 3HZ LYS 55 3HZ LYS 55 11.427 -3.958 9.090 370 H CYS 56 H CYS 56 11.083 -0.603 4.369 371 HA CYS 56 HA CYS 56 12.969 1.481 4.218 372 1HB CYS 56 2HB CYS 56 10.967 1.025 6.449 373 2HB CYS 56 1HB CYS 56 11.688 2.567 5.987 Start of MODEL 14 1 1H ALA 3 1HT ALA 3 10.553 7.838 -10.186 2 2H ALA 3 2HT ALA 3 9.874 8.737 -8.914 3 3H ALA 3 3HT ALA 3 10.820 9.510 -10.094 4 HA ALA 3 HA ALA 3 8.261 9.681 -10.225 5 1HB ALA 3 1HB ALA 3 8.433 9.726 -12.701 6 2HB ALA 3 2HB ALA 3 9.995 8.913 -12.594 7 3HB ALA 3 3HB ALA 3 9.799 10.538 -11.936 8 H VAL 4 H VAL 4 6.839 8.088 -9.558 9 HA VAL 4 HA VAL 4 6.185 5.987 -11.440 10 HB VAL 4 HB VAL 4 8.162 4.973 -10.311 11 1HG1 VAL 4 1HG1 VAL 4 8.316 4.726 -8.013 12 2HG1 VAL 4 2HG1 VAL 4 6.567 4.739 -7.790 13 3HG1 VAL 4 3HG1 VAL 4 7.428 6.247 -8.095 14 1HG2 VAL 4 1HG2 VAL 4 5.770 3.492 -9.272 15 2HG2 VAL 4 2HG2 VAL 4 7.178 2.873 -10.135 16 3HG2 VAL 4 3HG2 VAL 4 5.919 3.744 -11.012 17 H SER 5 H SER 5 4.066 6.760 -11.295 18 HA SER 5 HA SER 5 2.811 6.809 -8.597 19 1HB SER 5 2HB SER 5 1.097 8.160 -9.552 20 2HB SER 5 1HB SER 5 2.601 8.762 -10.246 21 HG SER 5 HG SER 5 2.175 7.482 -12.081 22 H VAL 6 H VAL 6 0.519 5.918 -8.531 23 HA VAL 6 HA VAL 6 0.007 3.727 -10.453 24 HB VAL 6 HB VAL 6 1.309 2.546 -8.821 25 1HG1 VAL 6 1HG1 VAL 6 1.531 3.368 -6.740 26 2HG1 VAL 6 2HG1 VAL 6 -0.153 2.969 -6.402 27 3HG1 VAL 6 3HG1 VAL 6 0.262 4.548 -7.067 28 1HG2 VAL 6 1HG2 VAL 6 -0.195 0.868 -8.572 29 2HG2 VAL 6 2HG2 VAL 6 -1.361 1.962 -9.318 30 3HG2 VAL 6 3HG2 VAL 6 -1.247 1.859 -7.561 31 H ASP 7 H ASP 7 -2.176 3.534 -10.802 32 HA ASP 7 HA ASP 7 -3.978 4.937 -8.867 33 1HB ASP 7 2HB ASP 7 -3.577 5.455 -11.604 34 2HB ASP 7 1HB ASP 7 -5.125 4.615 -11.508 35 H CYS 8 H CYS 8 -5.271 3.526 -7.817 36 HA CYS 8 HA CYS 8 -6.229 1.118 -9.309 37 1HB CYS 8 2HB CYS 8 -5.281 1.275 -6.432 38 2HB CYS 8 1HB CYS 8 -6.115 -0.116 -7.124 39 H SER 9 H SER 9 -7.426 3.803 -8.713 40 HA SER 9 HA SER 9 -9.368 3.635 -6.649 41 1HB SER 9 2HB SER 9 -9.080 5.227 -9.164 42 2HB SER 9 1HB SER 9 -10.651 5.213 -8.367 43 HG SER 9 HG SER 9 -8.755 6.764 -7.746 44 H GLU 10 H GLU 10 -10.208 1.501 -6.743 45 HA GLU 10 HA GLU 10 -12.597 1.212 -8.268 46 1HB GLU 10 2HB GLU 10 -10.159 0.245 -9.511 47 2HB GLU 10 1HB GLU 10 -11.336 -1.050 -9.286 48 1HG GLU 10 2HG GLU 10 -12.132 1.613 -10.462 49 2HG GLU 10 1HG GLU 10 -11.492 0.315 -11.471 50 H TYR 11 H TYR 11 -10.104 -0.270 -6.429 51 HA TYR 11 HA TYR 11 -12.149 -2.046 -5.176 52 1HB TYR 11 2HB TYR 11 -9.745 -3.238 -4.555 53 2HB TYR 11 1HB TYR 11 -10.820 -3.739 -5.853 54 HD1 TYR 11 1HD TYR 11 -10.538 -2.235 -8.087 55 HD2 TYR 11 2HD TYR 11 -7.508 -2.906 -5.120 56 HE1 TYR 11 1HE TYR 11 -8.788 -1.708 -9.761 57 HE2 TYR 11 2HE TYR 11 -5.759 -2.376 -6.792 58 HH TYR 11 HH TYR 11 -6.149 -2.438 -9.945 59 HA PRO 12 HA PRO 12 -10.714 0.626 -1.785 60 1HB PRO 12 2HB PRO 12 -13.214 0.840 -0.664 61 2HB PRO 12 1HB PRO 12 -12.628 1.908 -1.951 62 1HG PRO 12 2HG PRO 12 -14.605 -0.313 -2.117 63 2HG PRO 12 1HG PRO 12 -14.429 1.113 -3.154 64 1HD PRO 12 2HD PRO 12 -13.557 -1.520 -3.766 65 2HD PRO 12 1HD PRO 12 -13.147 -0.041 -4.659 66 H LYS 13 H LYS 13 -10.565 -2.283 -1.963 67 HA LYS 13 HA LYS 13 -10.493 -2.992 0.813 68 1HB LYS 13 2HB LYS 13 -12.750 -3.572 0.835 69 2HB LYS 13 1HB LYS 13 -12.787 -3.895 -0.899 70 1HG LYS 13 2HG LYS 13 -11.744 -6.001 -0.646 71 2HG LYS 13 1HG LYS 13 -11.214 -5.632 0.994 72 1HD LYS 13 2HD LYS 13 -14.076 -6.074 0.082 73 2HD LYS 13 1HD LYS 13 -13.124 -7.150 1.105 74 1HE LYS 13 2HE LYS 13 -12.903 -5.200 2.734 75 2HE LYS 13 1HE LYS 13 -14.134 -4.379 1.775 76 1HZ LYS 13 1HZ LYS 13 -15.737 -5.679 2.581 77 2HZ LYS 13 2HZ LYS 13 -14.634 -6.070 3.811 78 3HZ LYS 13 3HZ LYS 13 -14.804 -7.092 2.464 79 H CYS 14 H CYS 14 -8.444 -3.840 0.553 80 HA CYS 14 HA CYS 14 -8.106 -6.076 -1.347 81 1HB CYS 14 2HB CYS 14 -5.989 -3.954 -1.360 82 2HB CYS 14 1HB CYS 14 -6.426 -5.104 -2.618 83 H ALA 15 H ALA 15 -8.096 -6.942 0.986 84 HA ALA 15 HA ALA 15 -5.552 -6.506 2.424 85 1HB ALA 15 1HB ALA 15 -8.058 -7.079 3.320 86 2HB ALA 15 2HB ALA 15 -6.595 -7.451 4.234 87 3HB ALA 15 3HB ALA 15 -7.368 -8.702 3.260 88 H CYS 16 H CYS 16 -4.373 -7.345 0.441 89 HA CYS 16 HA CYS 16 -4.583 -10.208 -0.136 90 1HB CYS 16 2HB CYS 16 -2.639 -8.071 -1.053 91 2HB CYS 16 1HB CYS 16 -2.593 -9.742 -1.611 92 H THR 17 H THR 17 -2.837 -11.725 0.196 93 HA THR 17 HA THR 17 -0.580 -11.006 1.906 94 HB THR 17 HB THR 17 -2.061 -13.167 3.211 95 HG1 THR 17 1HG THR 17 -3.909 -12.149 2.963 96 1HG2 THR 17 1HG2 THR 17 -0.757 -10.568 4.027 97 2HG2 THR 17 2HG2 THR 17 -0.197 -12.212 4.334 98 3HG2 THR 17 3HG2 THR 17 -1.610 -11.589 5.184 99 H MET 18 H MET 18 -0.155 -11.989 -0.476 100 HA MET 18 HA MET 18 0.463 -14.869 -0.014 101 1HB MET 18 2HB MET 18 -1.578 -14.204 -1.632 102 2HB MET 18 1HB MET 18 -0.253 -14.052 -2.785 103 1HG MET 18 2HG MET 18 0.517 -16.356 -2.001 104 2HG MET 18 1HG MET 18 -1.037 -16.490 -1.178 105 1HE MET 18 1HE MET 18 -2.323 -17.933 -1.922 106 2HE MET 18 2HE MET 18 -2.950 -18.253 -3.537 107 3HE MET 18 3HE MET 18 -3.494 -16.828 -2.656 108 H GLU 19 H GLU 19 0.961 -12.647 -2.761 109 HA GLU 19 HA GLU 19 3.672 -13.517 -3.162 110 1HB GLU 19 2HB GLU 19 1.929 -12.153 -4.701 111 2HB GLU 19 1HB GLU 19 2.882 -10.800 -4.089 112 1HG GLU 19 2HG GLU 19 4.957 -11.967 -4.819 113 2HG GLU 19 1HG GLU 19 3.966 -13.256 -5.502 114 H TYR 20 H TYR 20 5.639 -12.410 -2.647 115 HA TYR 20 HA TYR 20 5.428 -10.745 -0.209 116 1HB TYR 20 2HB TYR 20 7.127 -12.753 -0.762 117 2HB TYR 20 1HB TYR 20 8.078 -11.407 -1.394 118 HD1 TYR 20 1HD TYR 20 5.762 -11.798 1.537 119 HD2 TYR 20 2HD TYR 20 9.677 -10.709 0.148 120 HE1 TYR 20 1HE TYR 20 6.399 -11.149 3.845 121 HE2 TYR 20 2HE TYR 20 10.316 -10.062 2.455 122 HH TYR 20 HH TYR 20 8.958 -11.002 5.071 123 H ARG 21 H ARG 21 5.344 -8.594 -0.453 124 HA ARG 21 HA ARG 21 7.198 -7.231 -2.284 125 1HB ARG 21 2HB ARG 21 4.259 -7.430 -2.762 126 2HB ARG 21 1HB ARG 21 5.003 -5.850 -3.011 127 1HG ARG 21 2HG ARG 21 6.464 -6.669 -4.682 128 2HG ARG 21 1HG ARG 21 6.200 -8.347 -4.209 129 1HD ARG 21 2HD ARG 21 4.067 -6.544 -5.386 130 2HD ARG 21 1HD ARG 21 4.985 -7.739 -6.304 131 HE ARG 21 HE ARG 21 3.787 -9.020 -4.044 132 1HH1 ARG 21 1HH2 ARG 21 3.655 -8.789 -7.352 133 2HH1 ARG 21 2HH2 ARG 21 1.979 -9.195 -7.510 134 1HH2 ARG 21 1HH1 ARG 21 1.341 -9.010 -4.106 135 2HH2 ARG 21 2HH1 ARG 21 0.670 -9.323 -5.671 136 HA PRO 22 HA PRO 22 6.350 -5.092 1.690 137 1HB PRO 22 2HB PRO 22 9.005 -4.711 2.295 138 2HB PRO 22 1HB PRO 22 8.093 -6.164 2.742 139 1HG PRO 22 2HG PRO 22 10.127 -5.813 0.587 140 2HG PRO 22 1HG PRO 22 9.684 -7.275 1.485 141 1HD PRO 22 2HD PRO 22 8.854 -6.640 -1.140 142 2HD PRO 22 1HD PRO 22 8.146 -7.894 -0.100 143 H LEU 23 H LEU 23 5.556 -3.215 0.610 144 HA LEU 23 HA LEU 23 7.552 -1.394 -0.633 145 1HB LEU 23 2HB LEU 23 4.542 -1.069 -0.420 146 2HB LEU 23 1HB LEU 23 5.635 -0.141 -1.448 147 HG LEU 23 HG LEU 23 5.011 -3.101 -1.664 148 1HD1 LEU 23 1HD1 LEU 23 4.568 -0.795 -3.586 149 2HD1 LEU 23 2HD1 LEU 23 3.311 -1.533 -2.591 150 3HD1 LEU 23 3HD1 LEU 23 4.105 -2.476 -3.853 151 1HD2 LEU 23 1HD2 LEU 23 7.331 -2.871 -2.188 152 2HD2 LEU 23 2HD2 LEU 23 7.060 -1.356 -3.049 153 3HD2 LEU 23 3HD2 LEU 23 6.496 -2.877 -3.741 154 H CYS 24 H CYS 24 8.385 0.270 0.587 155 HA CYS 24 HA CYS 24 7.193 0.745 3.246 156 1HB CYS 24 2HB CYS 24 9.783 1.329 1.924 157 2HB CYS 24 1HB CYS 24 9.234 2.529 3.095 158 H GLY 25 H GLY 25 5.210 1.722 2.498 159 1HA GLY 25 2HA GLY 25 4.877 3.849 0.742 160 2HA GLY 25 1HA GLY 25 3.905 3.656 2.201 161 H SER 26 H SER 26 5.010 6.131 0.937 162 HA SER 26 HA SER 26 7.208 7.210 2.316 163 1HB SER 26 2HB SER 26 5.604 8.216 0.461 164 2HB SER 26 1HB SER 26 4.809 8.938 1.855 165 HG SER 26 HG SER 26 7.018 9.615 2.464 166 H ASP 27 H ASP 27 4.137 6.314 3.583 167 HA ASP 27 HA ASP 27 4.295 8.111 5.902 168 1HB ASP 27 2HB ASP 27 2.245 7.033 6.619 169 2HB ASP 27 1HB ASP 27 2.118 7.359 4.891 170 H ASN 28 H ASN 28 6.386 5.939 5.252 171 HA ASN 28 HA ASN 28 7.714 4.454 6.485 172 1HB ASN 28 2HB ASN 28 6.853 6.471 8.253 173 2HB ASN 28 1HB ASN 28 6.591 4.952 9.111 174 1HD2 ASN 28 1HD2 ASN 28 8.648 3.335 8.482 175 2HD2 ASN 28 2HD2 ASN 28 10.154 4.056 8.795 176 H LYS 29 H LYS 29 5.241 3.465 5.403 177 HA LYS 29 HA LYS 29 4.511 1.483 7.518 178 1HB LYS 29 2HB LYS 29 2.770 3.225 6.455 179 2HB LYS 29 1HB LYS 29 2.662 1.953 5.237 180 1HG LYS 29 2HG LYS 29 2.624 1.037 8.054 181 2HG LYS 29 1HG LYS 29 1.207 1.946 7.526 182 1HD LYS 29 2HD LYS 29 0.522 0.303 6.098 183 2HD LYS 29 1HD LYS 29 2.170 -0.103 5.619 184 1HE LYS 29 2HE LYS 29 1.615 -1.999 6.834 185 2HE LYS 29 1HE LYS 29 2.320 -1.005 8.108 186 1HZ LYS 29 1HZ LYS 29 -0.142 -0.151 8.269 187 2HZ LYS 29 2HZ LYS 29 0.357 -1.559 9.078 188 3HZ LYS 29 3HZ LYS 29 -0.483 -1.675 7.607 189 H THR 30 H THR 30 4.996 -0.592 7.051 190 HA THR 30 HA THR 30 6.013 -1.248 4.365 191 HB THR 30 HB THR 30 5.711 -3.026 6.808 192 HG1 THR 30 1HG THR 30 7.703 -1.251 5.933 193 1HG2 THR 30 1HG2 THR 30 6.336 -4.649 5.382 194 2HG2 THR 30 2HG2 THR 30 7.870 -3.803 5.174 195 3HG2 THR 30 3HG2 THR 30 6.530 -3.486 4.071 196 H TYR 31 H TYR 31 4.685 -2.076 2.815 197 HA TYR 31 HA TYR 31 2.035 -3.119 3.659 198 1HB TYR 31 2HB TYR 31 3.110 -1.904 1.124 199 2HB TYR 31 1HB TYR 31 1.641 -2.874 1.098 200 HD1 TYR 31 1HD TYR 31 3.030 0.353 1.757 201 HD2 TYR 31 2HD TYR 31 -0.223 -2.252 2.799 202 HE1 TYR 31 1HE TYR 31 1.743 2.297 2.600 203 HE2 TYR 31 2HE TYR 31 -1.510 -0.306 3.643 204 HH TYR 31 HH TYR 31 -1.577 1.911 3.829 205 H GLY 32 H GLY 32 1.271 -5.120 2.748 206 1HA GLY 32 2HA GLY 32 3.351 -7.124 2.456 207 2HA GLY 32 1HA GLY 32 1.615 -7.410 2.314 208 H ASN 33 H ASN 33 1.494 -5.161 0.244 209 HA ASN 33 HA ASN 33 3.125 -5.849 -1.988 210 1HB ASN 33 2HB ASN 33 1.235 -7.053 -3.284 211 2HB ASN 33 1HB ASN 33 2.137 -7.996 -2.097 212 1HD2 ASN 33 1HD2 ASN 33 0.701 -9.293 -0.943 213 2HD2 ASN 33 2HD2 ASN 33 -0.833 -8.805 -0.401 214 H LYS 34 H LYS 34 2.144 -4.978 -4.058 215 HA LYS 34 HA LYS 34 1.173 -2.348 -3.688 216 1HB LYS 34 2HB LYS 34 1.821 -4.080 -5.926 217 2HB LYS 34 1HB LYS 34 0.389 -3.111 -6.273 218 1HG LYS 34 2HG LYS 34 1.537 -1.110 -6.141 219 2HG LYS 34 1HG LYS 34 2.728 -1.746 -5.005 220 1HD LYS 34 2HD LYS 34 3.323 -3.296 -7.110 221 2HD LYS 34 1HD LYS 34 2.672 -1.909 -7.983 222 1HE LYS 34 2HE LYS 34 4.287 -0.740 -6.053 223 2HE LYS 34 1HE LYS 34 5.201 -2.170 -6.532 224 1HZ LYS 34 1HZ LYS 34 5.513 -1.390 -8.604 225 2HZ LYS 34 2HZ LYS 34 5.270 0.121 -7.867 226 3HZ LYS 34 3HZ LYS 34 3.992 -0.643 -8.687 227 H CYS 35 H CYS 35 -0.515 -5.309 -3.536 228 HA CYS 35 HA CYS 35 -3.089 -4.311 -4.434 229 1HB CYS 35 2HB CYS 35 -2.936 -6.634 -4.519 230 2HB CYS 35 1HB CYS 35 -2.072 -6.746 -2.995 231 H ASN 36 H ASN 36 -1.363 -4.608 -1.386 232 HA ASN 36 HA ASN 36 -3.590 -3.566 0.203 233 1HB ASN 36 2HB ASN 36 -1.285 -5.026 0.748 234 2HB ASN 36 1HB ASN 36 -0.927 -3.432 1.407 235 1HD2 ASN 36 1HD2 ASN 36 -3.199 -6.161 1.615 236 2HD2 ASN 36 2HD2 ASN 36 -3.866 -5.713 3.110 237 H PHE 37 H PHE 37 -0.832 -2.329 -1.517 238 HA PHE 37 HA PHE 37 -0.814 0.259 -0.164 239 1HB PHE 37 2HB PHE 37 1.214 -0.780 -1.273 240 2HB PHE 37 1HB PHE 37 0.427 -0.495 -2.824 241 HD1 PHE 37 1HD PHE 37 -0.429 1.923 -3.280 242 HD2 PHE 37 2HD PHE 37 2.534 0.946 -0.326 243 HE1 PHE 37 1HE PHE 37 0.357 4.273 -3.294 244 HE2 PHE 37 2HE PHE 37 3.321 3.302 -0.341 245 HZ PHE 37 HZ PHE 37 2.230 4.961 -1.827 246 H CYS 38 H CYS 38 -2.220 -1.119 -3.066 247 HA CYS 38 HA CYS 38 -3.086 1.418 -4.164 248 1HB CYS 38 2HB CYS 38 -3.465 -1.464 -4.795 249 2HB CYS 38 1HB CYS 38 -4.741 -0.374 -5.339 250 H CYS 39 H CYS 39 -4.330 -0.889 -1.849 251 HA CYS 39 HA CYS 39 -7.023 0.273 -1.936 252 1HB CYS 39 2HB CYS 39 -5.877 -2.112 -0.872 253 2HB CYS 39 1HB CYS 39 -6.626 -1.227 0.462 254 H ALA 40 H ALA 40 -4.165 0.448 0.143 255 HA ALA 40 HA ALA 40 -5.364 2.133 2.142 256 1HB ALA 40 1HB ALA 40 -2.686 1.186 1.453 257 2HB ALA 40 2HB ALA 40 -3.345 1.608 3.033 258 3HB ALA 40 3HB ALA 40 -2.669 2.864 1.995 259 H VAL 41 H VAL 41 -4.309 2.619 -1.095 260 HA VAL 41 HA VAL 41 -3.941 5.504 -0.900 261 HB VAL 41 HB VAL 41 -4.162 3.546 -3.193 262 1HG1 VAL 41 1HG1 VAL 41 -3.292 5.989 -4.235 263 2HG1 VAL 41 2HG1 VAL 41 -4.657 6.424 -3.207 264 3HG1 VAL 41 3HG1 VAL 41 -4.871 5.248 -4.504 265 1HG2 VAL 41 1HG2 VAL 41 -2.061 4.031 -1.651 266 2HG2 VAL 41 2HG2 VAL 41 -1.905 5.453 -2.683 267 3HG2 VAL 41 3HG2 VAL 41 -1.867 3.838 -3.393 268 H VAL 42 H VAL 42 -6.514 3.326 -2.053 269 HA VAL 42 HA VAL 42 -8.314 5.348 -2.939 270 HB VAL 42 HB VAL 42 -9.008 2.658 -1.704 271 1HG1 VAL 42 1HG1 VAL 42 -11.133 3.340 -1.993 272 2HG1 VAL 42 2HG1 VAL 42 -10.818 3.406 -3.728 273 3HG1 VAL 42 3HG1 VAL 42 -10.595 4.847 -2.735 274 1HG2 VAL 42 1HG2 VAL 42 -7.779 1.962 -3.513 275 2HG2 VAL 42 2HG2 VAL 42 -7.950 3.505 -4.351 276 3HG2 VAL 42 3HG2 VAL 42 -9.270 2.336 -4.378 277 H GLU 43 H GLU 43 -7.508 4.191 0.267 278 HA GLU 43 HA GLU 43 -9.779 5.644 1.478 279 1HB GLU 43 2HB GLU 43 -7.473 4.227 2.847 280 2HB GLU 43 1HB GLU 43 -8.992 4.732 3.586 281 1HG GLU 43 2HG GLU 43 -8.928 2.829 1.242 282 2HG GLU 43 1HG GLU 43 -8.795 2.255 2.905 283 H SER 44 H SER 44 -6.480 6.170 0.640 284 HA SER 44 HA SER 44 -6.167 8.399 2.557 285 1HB SER 44 2HB SER 44 -4.391 6.719 1.004 286 2HB SER 44 1HB SER 44 -4.036 8.419 0.713 287 HG SER 44 HG SER 44 -4.036 8.657 3.037 288 H ASN 45 H ASN 45 -7.864 8.101 -0.170 289 HA ASN 45 HA ASN 45 -8.669 9.634 -1.739 290 1HB ASN 45 2HB ASN 45 -7.583 11.284 0.471 291 2HB ASN 45 1HB ASN 45 -7.779 12.105 -1.074 292 1HD2 ASN 45 1HD2 ASN 45 -9.956 12.360 -1.922 293 2HD2 ASN 45 2HD2 ASN 45 -11.325 12.048 -0.970 294 H GLY 46 H GLY 46 -6.238 8.267 -2.297 295 1HA GLY 46 2HA GLY 46 -4.435 8.347 -3.793 296 2HA GLY 46 1HA GLY 46 -5.256 9.731 -4.518 297 H THR 47 H THR 47 -4.336 9.807 -1.148 298 HA THR 47 HA THR 47 -2.346 11.915 -1.853 299 HB THR 47 HB THR 47 -4.359 12.367 -0.284 300 HG1 THR 47 1HG THR 47 -2.121 13.439 -0.502 301 1HG2 THR 47 1HG2 THR 47 -2.716 11.462 1.984 302 2HG2 THR 47 2HG2 THR 47 -3.405 10.150 1.026 303 3HG2 THR 47 3HG2 THR 47 -4.460 11.365 1.748 304 H LEU 48 H LEU 48 -2.546 8.704 -0.783 305 HA LEU 48 HA LEU 48 -0.221 8.703 0.960 306 1HB LEU 48 2HB LEU 48 -2.138 6.936 0.764 307 2HB LEU 48 1HB LEU 48 -1.169 6.284 -0.559 308 HG LEU 48 HG LEU 48 0.770 6.087 0.942 309 1HD1 LEU 48 1HD1 LEU 48 0.856 7.315 2.826 310 2HD1 LEU 48 2HD1 LEU 48 -0.508 6.407 3.476 311 3HD1 LEU 48 3HD1 LEU 48 -0.791 7.875 2.540 312 1HD2 LEU 48 1HD2 LEU 48 -1.610 4.870 2.351 313 2HD2 LEU 48 2HD2 LEU 48 0.006 4.192 2.156 314 3HD2 LEU 48 3HD2 LEU 48 -1.079 4.297 0.770 315 H THR 49 H THR 49 1.908 7.993 0.414 316 HA THR 49 HA THR 49 2.463 7.794 -2.513 317 HB THR 49 HB THR 49 4.577 9.099 -2.061 318 HG1 THR 49 1HG THR 49 4.401 10.409 -0.114 319 1HG2 THR 49 1HG2 THR 49 2.449 10.076 -3.020 320 2HG2 THR 49 2HG2 THR 49 3.489 11.240 -2.198 321 3HG2 THR 49 3HG2 THR 49 2.049 10.619 -1.391 322 H LEU 50 H LEU 50 5.184 7.358 -2.379 323 HA LEU 50 HA LEU 50 5.359 4.846 -0.760 324 1HB LEU 50 2HB LEU 50 5.275 4.609 -3.294 325 2HB LEU 50 1HB LEU 50 6.837 5.428 -3.338 326 HG LEU 50 HG LEU 50 7.874 3.693 -2.036 327 1HD1 LEU 50 1HD1 LEU 50 6.134 1.655 -1.603 328 2HD1 LEU 50 2HD1 LEU 50 5.044 3.028 -1.425 329 3HD1 LEU 50 3HD1 LEU 50 6.475 2.901 -0.402 330 1HD2 LEU 50 1HD2 LEU 50 7.943 2.876 -4.193 331 2HD2 LEU 50 2HD2 LEU 50 6.189 2.904 -4.371 332 3HD2 LEU 50 3HD2 LEU 50 6.963 1.607 -3.460 333 H SER 51 H SER 51 7.738 4.267 -0.291 334 HA SER 51 HA SER 51 9.335 6.752 0.138 335 1HB SER 51 2HB SER 51 8.082 5.548 2.186 336 2HB SER 51 1HB SER 51 9.537 4.556 2.144 337 HG SER 51 HG SER 51 9.605 7.386 2.086 338 H HIS 52 H HIS 52 9.418 3.190 -0.087 339 HA HIS 52 HA HIS 52 11.613 3.125 -1.856 340 1HB HIS 52 2HB HIS 52 13.469 2.495 -0.407 341 2HB HIS 52 1HB HIS 52 12.863 4.072 0.091 342 HD1 HIS 52 1HD HIS 52 13.070 0.496 1.176 343 HD2 HIS 52 2HD HIS 52 11.511 4.086 2.611 344 HE1 HIS 52 1HE HIS 52 12.472 0.096 3.604 345 H PHE 53 H PHE 53 10.918 1.317 -2.813 346 HA PHE 53 HA PHE 53 9.401 -0.777 -1.833 347 1HB PHE 53 2HB PHE 53 11.689 -0.986 -3.817 348 2HB PHE 53 1HB PHE 53 10.386 -2.153 -3.628 349 HD1 PHE 53 1HD PHE 53 11.214 1.296 -4.691 350 HD2 PHE 53 2HD PHE 53 8.177 -1.734 -4.494 351 HE1 PHE 53 1HE PHE 53 9.799 2.612 -6.247 352 HE2 PHE 53 2HE PHE 53 6.761 -0.416 -6.045 353 HZ PHE 53 HZ PHE 53 7.573 1.755 -6.923 354 H GLY 54 H GLY 54 9.923 -1.594 0.222 355 1HA GLY 54 2HA GLY 54 11.757 -3.662 0.530 356 2HA GLY 54 1HA GLY 54 12.656 -2.214 0.979 357 H LYS 55 H LYS 55 12.299 -4.067 2.929 358 HA LYS 55 HA LYS 55 9.886 -3.589 4.490 359 1HB LYS 55 2HB LYS 55 11.345 -5.692 4.545 360 2HB LYS 55 1HB LYS 55 12.494 -4.751 5.495 361 1HG LYS 55 2HG LYS 55 11.194 -4.815 7.358 362 2HG LYS 55 1HG LYS 55 9.708 -4.565 6.440 363 1HD LYS 55 2HD LYS 55 9.243 -6.760 6.575 364 2HD LYS 55 1HD LYS 55 10.756 -7.136 5.752 365 1HE LYS 55 2HE LYS 55 11.370 -6.384 8.443 366 2HE LYS 55 1HE LYS 55 10.089 -7.596 8.487 367 1HZ LYS 55 1HZ LYS 55 11.435 -9.174 7.671 368 2HZ LYS 55 2HZ LYS 55 12.683 -8.172 8.239 369 3HZ LYS 55 3HZ LYS 55 12.225 -8.120 6.604 370 H CYS 56 H CYS 56 9.554 -1.853 5.802 371 HA CYS 56 HA CYS 56 11.505 0.225 6.105 372 1HB CYS 56 2HB CYS 56 8.857 -0.374 7.408 373 2HB CYS 56 1HB CYS 56 9.862 0.943 8.011 Start of MODEL 15 1 1H ALA 3 1HT ALA 3 6.477 11.412 -11.812 2 2H ALA 3 2HT ALA 3 7.841 10.415 -11.997 3 3H ALA 3 3HT ALA 3 7.984 11.925 -11.229 4 HA ALA 3 HA ALA 3 7.975 10.443 -9.462 5 1HB ALA 3 1HB ALA 3 5.584 10.657 -8.531 6 2HB ALA 3 2HB ALA 3 5.203 11.506 -10.028 7 3HB ALA 3 3HB ALA 3 6.417 12.160 -8.928 8 H VAL 4 H VAL 4 6.586 8.636 -8.346 9 HA VAL 4 HA VAL 4 5.837 6.651 -10.457 10 HB VAL 4 HB VAL 4 6.522 4.923 -8.733 11 1HG1 VAL 4 1HG1 VAL 4 9.082 6.010 -8.980 12 2HG1 VAL 4 2HG1 VAL 4 8.192 6.689 -10.342 13 3HG1 VAL 4 3HG1 VAL 4 8.290 4.940 -10.136 14 1HG2 VAL 4 1HG2 VAL 4 7.155 5.568 -6.666 15 2HG2 VAL 4 2HG2 VAL 4 6.631 7.200 -7.083 16 3HG2 VAL 4 3HG2 VAL 4 8.313 6.723 -7.327 17 H SER 5 H SER 5 4.125 5.137 -9.837 18 HA SER 5 HA SER 5 2.493 5.921 -7.492 19 1HB SER 5 2HB SER 5 0.508 6.309 -8.749 20 2HB SER 5 1HB SER 5 1.762 7.224 -9.580 21 HG SER 5 HG SER 5 0.575 6.001 -11.061 22 H VAL 6 H VAL 6 0.229 4.341 -8.339 23 HA VAL 6 HA VAL 6 1.386 1.629 -8.721 24 HB VAL 6 HB VAL 6 1.247 1.962 -6.284 25 1HG1 VAL 6 1HG1 VAL 6 -1.468 2.949 -7.046 26 2HG1 VAL 6 2HG1 VAL 6 -0.364 3.546 -5.808 27 3HG1 VAL 6 3HG1 VAL 6 -1.314 2.090 -5.515 28 1HG2 VAL 6 1HG2 VAL 6 0.809 -0.283 -6.995 29 2HG2 VAL 6 2HG2 VAL 6 -0.816 0.134 -7.538 30 3HG2 VAL 6 3HG2 VAL 6 -0.444 0.102 -5.814 31 H ASP 7 H ASP 7 -0.098 0.162 -9.675 32 HA ASP 7 HA ASP 7 -2.240 1.362 -11.200 33 1HB ASP 7 2HB ASP 7 -2.660 -0.875 -12.023 34 2HB ASP 7 1HB ASP 7 -0.913 -0.668 -11.905 35 H CYS 8 H CYS 8 -4.268 1.781 -10.476 36 HA CYS 8 HA CYS 8 -5.464 0.005 -8.420 37 1HB CYS 8 2HB CYS 8 -4.284 2.347 -7.634 38 2HB CYS 8 1HB CYS 8 -5.934 2.883 -7.948 39 H SER 9 H SER 9 -6.171 0.018 -11.068 40 HA SER 9 HA SER 9 -8.021 1.792 -12.095 41 1HB SER 9 2HB SER 9 -8.507 -1.180 -12.208 42 2HB SER 9 1HB SER 9 -8.840 0.030 -13.442 43 HG SER 9 HG SER 9 -6.950 -1.061 -13.964 44 H GLU 10 H GLU 10 -9.158 2.704 -10.299 45 HA GLU 10 HA GLU 10 -10.804 2.779 -8.588 46 1HB GLU 10 2HB GLU 10 -11.823 2.334 -11.232 47 2HB GLU 10 1HB GLU 10 -12.884 1.535 -10.070 48 1HG GLU 10 2HG GLU 10 -13.729 3.519 -9.436 49 2HG GLU 10 1HG GLU 10 -12.115 4.093 -9.014 50 H TYR 11 H TYR 11 -9.214 0.345 -8.319 51 HA TYR 11 HA TYR 11 -11.356 -1.345 -7.120 52 1HB TYR 11 2HB TYR 11 -10.546 -3.356 -8.027 53 2HB TYR 11 1HB TYR 11 -10.477 -2.229 -9.378 54 HD1 TYR 11 1HD TYR 11 -8.651 -4.592 -7.465 55 HD2 TYR 11 2HD TYR 11 -8.194 -0.927 -9.657 56 HE1 TYR 11 1HE TYR 11 -6.221 -5.026 -7.686 57 HE2 TYR 11 2HE TYR 11 -5.765 -1.363 -9.878 58 HH TYR 11 HH TYR 11 -4.137 -3.651 -8.044 59 HA PRO 12 HA PRO 12 -8.234 -0.713 -3.894 60 1HB PRO 12 2HB PRO 12 -10.090 -0.611 -1.871 61 2HB PRO 12 1HB PRO 12 -9.638 0.798 -2.845 62 1HG PRO 12 2HG PRO 12 -12.134 -0.829 -2.950 63 2HG PRO 12 1HG PRO 12 -11.877 0.862 -3.408 64 1HD PRO 12 2HD PRO 12 -12.056 -1.340 -5.187 65 2HD PRO 12 1HD PRO 12 -11.502 0.298 -5.596 66 H LYS 13 H LYS 13 -8.024 -2.094 -1.746 67 HA LYS 13 HA LYS 13 -9.509 -4.561 -1.569 68 1HB LYS 13 2HB LYS 13 -7.050 -4.507 -3.220 69 2HB LYS 13 1HB LYS 13 -7.160 -5.830 -2.057 70 1HG LYS 13 2HG LYS 13 -9.718 -5.502 -3.295 71 2HG LYS 13 1HG LYS 13 -8.494 -5.591 -4.561 72 1HD LYS 13 2HD LYS 13 -7.758 -7.718 -3.874 73 2HD LYS 13 1HD LYS 13 -8.463 -7.546 -2.268 74 1HE LYS 13 2HE LYS 13 -10.331 -8.570 -2.988 75 2HE LYS 13 1HE LYS 13 -10.577 -7.277 -4.163 76 1HZ LYS 13 1HZ LYS 13 -8.537 -9.201 -4.873 77 2HZ LYS 13 2HZ LYS 13 -9.771 -8.520 -5.824 78 3HZ LYS 13 3HZ LYS 13 -10.109 -9.836 -4.805 79 H CYS 14 H CYS 14 -9.576 -4.190 0.638 80 HA CYS 14 HA CYS 14 -7.035 -3.799 2.103 81 1HB CYS 14 2HB CYS 14 -9.851 -3.988 3.212 82 2HB CYS 14 1HB CYS 14 -8.424 -3.356 4.036 83 H ALA 15 H ALA 15 -7.910 -6.341 0.712 84 HA ALA 15 HA ALA 15 -7.206 -8.160 2.927 85 1HB ALA 15 1HB ALA 15 -9.093 -9.567 2.743 86 2HB ALA 15 2HB ALA 15 -9.580 -8.860 1.203 87 3HB ALA 15 3HB ALA 15 -9.791 -7.948 2.697 88 H CYS 16 H CYS 16 -5.296 -7.954 1.393 89 HA CYS 16 HA CYS 16 -5.543 -9.204 -1.234 90 1HB CYS 16 2HB CYS 16 -2.952 -8.679 0.213 91 2HB CYS 16 1HB CYS 16 -3.269 -8.650 -1.522 92 H THR 17 H THR 17 -3.797 -10.976 -1.721 93 HA THR 17 HA THR 17 -4.354 -13.191 0.153 94 HB THR 17 HB THR 17 -4.801 -13.599 -2.197 95 HG1 THR 17 1HG THR 17 -3.595 -15.452 -2.415 96 1HG2 THR 17 1HG2 THR 17 -3.533 -12.321 -3.587 97 2HG2 THR 17 2HG2 THR 17 -2.444 -13.708 -3.557 98 3HG2 THR 17 3HG2 THR 17 -2.148 -12.331 -2.496 99 H MET 18 H MET 18 -1.537 -14.006 -1.469 100 HA MET 18 HA MET 18 0.093 -13.134 0.874 101 1HB MET 18 2HB MET 18 -0.445 -15.679 0.342 102 2HB MET 18 1HB MET 18 0.881 -15.483 -0.806 103 1HG MET 18 2HG MET 18 2.111 -16.065 1.054 104 2HG MET 18 1HG MET 18 2.032 -14.324 1.317 105 1HE MET 18 1HE MET 18 0.137 -17.414 1.419 106 2HE MET 18 2HE MET 18 -0.965 -17.347 2.792 107 3HE MET 18 3HE MET 18 0.694 -17.891 3.030 108 H GLU 19 H GLU 19 -0.384 -11.980 -1.989 109 HA GLU 19 HA GLU 19 1.871 -12.185 -3.613 110 1HB GLU 19 2HB GLU 19 -0.149 -10.124 -3.079 111 2HB GLU 19 1HB GLU 19 1.394 -9.454 -3.606 112 1HG GLU 19 2HG GLU 19 0.008 -9.919 -5.562 113 2HG GLU 19 1HG GLU 19 1.376 -11.032 -5.539 114 H TYR 20 H TYR 20 4.026 -11.618 -3.384 115 HA TYR 20 HA TYR 20 4.760 -10.302 -0.811 116 1HB TYR 20 2HB TYR 20 5.727 -12.610 -1.746 117 2HB TYR 20 1HB TYR 20 6.824 -11.499 -2.568 118 HD1 TYR 20 1HD TYR 20 8.507 -10.292 -1.394 119 HD2 TYR 20 2HD TYR 20 5.532 -12.515 0.765 120 HE1 TYR 20 1HE TYR 20 9.772 -9.942 0.709 121 HE2 TYR 20 2HE TYR 20 6.799 -12.167 2.869 122 HH TYR 20 HH TYR 20 8.949 -9.926 3.366 123 H ARG 21 H ARG 21 4.617 -8.161 -1.319 124 HA ARG 21 HA ARG 21 6.712 -7.098 -3.107 125 1HB ARG 21 2HB ARG 21 3.956 -5.901 -3.299 126 2HB ARG 21 1HB ARG 21 5.291 -5.799 -4.446 127 1HG ARG 21 2HG ARG 21 3.893 -8.406 -3.817 128 2HG ARG 21 1HG ARG 21 3.365 -7.338 -5.118 129 1HD ARG 21 2HD ARG 21 5.175 -7.824 -6.432 130 2HD ARG 21 1HD ARG 21 6.267 -7.957 -5.053 131 HE ARG 21 HE ARG 21 4.837 -10.195 -4.694 132 1HH1 ARG 21 1HH2 ARG 21 7.313 -9.539 -6.696 133 2HH1 ARG 21 2HH2 ARG 21 6.914 -10.685 -7.932 134 1HH2 ARG 21 1HH1 ARG 21 3.753 -11.344 -6.672 135 2HH2 ARG 21 2HH1 ARG 21 4.900 -11.706 -7.919 136 HA PRO 22 HA PRO 22 6.479 -4.887 0.854 137 1HB PRO 22 2HB PRO 22 9.198 -4.500 1.010 138 2HB PRO 22 1HB PRO 22 8.375 -5.962 1.583 139 1HG PRO 22 2HG PRO 22 10.015 -5.573 -0.882 140 2HG PRO 22 1HG PRO 22 9.738 -7.047 0.060 141 1HD PRO 22 2HD PRO 22 8.472 -6.398 -2.377 142 2HD PRO 22 1HD PRO 22 7.942 -7.656 -1.237 143 H LEU 23 H LEU 23 5.829 -2.797 0.617 144 HA LEU 23 HA LEU 23 7.471 -1.008 -1.133 145 1HB LEU 23 2HB LEU 23 4.538 -0.604 -0.529 146 2HB LEU 23 1HB LEU 23 5.501 0.146 -1.801 147 HG LEU 23 HG LEU 23 5.277 -2.840 -1.765 148 1HD1 LEU 23 1HD1 LEU 23 2.977 -2.412 -1.584 149 2HD1 LEU 23 2HD1 LEU 23 3.228 -2.413 -3.331 150 3HD1 LEU 23 3HD1 LEU 23 3.096 -0.886 -2.460 151 1HD2 LEU 23 1HD2 LEU 23 5.246 -2.344 -4.272 152 2HD2 LEU 23 2HD2 LEU 23 6.727 -1.899 -3.424 153 3HD2 LEU 23 3HD2 LEU 23 5.549 -0.659 -3.848 154 H CYS 24 H CYS 24 8.284 0.785 -0.121 155 HA CYS 24 HA CYS 24 7.634 1.160 2.737 156 1HB CYS 24 2HB CYS 24 9.978 1.232 2.238 157 2HB CYS 24 1HB CYS 24 9.727 2.351 0.898 158 H GLY 25 H GLY 25 5.521 2.073 2.605 159 1HA GLY 25 2HA GLY 25 4.653 4.138 0.913 160 2HA GLY 25 1HA GLY 25 4.047 3.906 2.554 161 H SER 26 H SER 26 4.871 6.378 0.933 162 HA SER 26 HA SER 26 7.211 7.570 1.905 163 1HB SER 26 2HB SER 26 6.135 8.895 0.339 164 2HB SER 26 1HB SER 26 4.546 8.625 1.049 165 HG SER 26 HG SER 26 4.976 10.591 1.770 166 H ASP 27 H ASP 27 4.371 6.735 3.679 167 HA ASP 27 HA ASP 27 4.933 8.631 5.861 168 1HB ASP 27 2HB ASP 27 2.972 7.663 6.936 169 2HB ASP 27 1HB ASP 27 2.597 8.000 5.245 170 H ASN 28 H ASN 28 6.846 6.426 5.045 171 HA ASN 28 HA ASN 28 8.332 4.987 6.150 172 1HB ASN 28 2HB ASN 28 7.947 7.010 7.867 173 2HB ASN 28 1HB ASN 28 7.211 5.718 8.817 174 1HD2 ASN 28 1HD2 ASN 28 10.181 6.157 6.795 175 2HD2 ASN 28 2HD2 ASN 28 11.209 5.349 7.879 176 H LYS 29 H LYS 29 5.557 4.103 5.457 177 HA LYS 29 HA LYS 29 5.122 2.088 7.607 178 1HB LYS 29 2HB LYS 29 3.320 3.699 6.250 179 2HB LYS 29 1HB LYS 29 3.157 2.137 5.444 180 1HG LYS 29 2HG LYS 29 1.629 2.138 7.300 181 2HG LYS 29 1HG LYS 29 2.977 1.085 7.734 182 1HD LYS 29 2HD LYS 29 3.880 3.517 8.616 183 2HD LYS 29 1HD LYS 29 2.147 3.656 8.914 184 1HE LYS 29 2HE LYS 29 2.304 1.338 10.001 185 2HE LYS 29 1HE LYS 29 4.053 1.561 9.971 186 1HZ LYS 29 1HZ LYS 29 2.266 2.530 11.848 187 2HZ LYS 29 2HZ LYS 29 2.794 3.884 10.968 188 3HZ LYS 29 3HZ LYS 29 3.923 2.871 11.733 189 H THR 30 H THR 30 4.476 -0.128 6.787 190 HA THR 30 HA THR 30 5.958 -0.801 4.277 191 HB THR 30 HB THR 30 5.949 -2.234 6.944 192 HG1 THR 30 1HG THR 30 7.786 -1.264 7.054 193 1HG2 THR 30 1HG2 THR 30 6.014 -4.160 5.769 194 2HG2 THR 30 2HG2 THR 30 7.607 -3.644 5.216 195 3HG2 THR 30 3HG2 THR 30 6.180 -3.303 4.237 196 H TYR 31 H TYR 31 4.406 -1.428 2.837 197 HA TYR 31 HA TYR 31 1.982 -2.808 3.834 198 1HB TYR 31 2HB TYR 31 2.737 -1.598 1.162 199 2HB TYR 31 1HB TYR 31 1.241 -2.482 1.437 200 HD1 TYR 31 1HD TYR 31 2.774 0.705 1.552 201 HD2 TYR 31 2HD TYR 31 -0.165 -1.716 3.543 202 HE1 TYR 31 1HE TYR 31 1.746 2.745 2.519 203 HE2 TYR 31 2HE TYR 31 -1.191 0.325 4.507 204 HH TYR 31 HH TYR 31 0.339 3.329 4.503 205 H GLY 32 H GLY 32 1.451 -4.913 3.172 206 1HA GLY 32 2HA GLY 32 3.630 -6.687 2.584 207 2HA GLY 32 1HA GLY 32 1.923 -7.130 2.557 208 H ASN 33 H ASN 33 1.317 -4.995 0.536 209 HA ASN 33 HA ASN 33 2.909 -5.566 -1.808 210 1HB ASN 33 2HB ASN 33 0.946 -6.707 -3.020 211 2HB ASN 33 1HB ASN 33 1.866 -7.691 -1.882 212 1HD2 ASN 33 1HD2 ASN 33 0.535 -8.891 -0.537 213 2HD2 ASN 33 2HD2 ASN 33 -1.000 -8.410 0.006 214 H LYS 34 H LYS 34 1.882 -4.566 -3.773 215 HA LYS 34 HA LYS 34 0.962 -1.945 -3.214 216 1HB LYS 34 2HB LYS 34 0.265 -2.007 -5.704 217 2HB LYS 34 1HB LYS 34 1.970 -2.258 -5.331 218 1HG LYS 34 2HG LYS 34 1.871 -4.546 -5.772 219 2HG LYS 34 1HG LYS 34 0.134 -4.629 -5.476 220 1HD LYS 34 2HD LYS 34 0.054 -4.681 -7.766 221 2HD LYS 34 1HD LYS 34 0.138 -2.930 -7.572 222 1HE LYS 34 2HE LYS 34 2.131 -2.863 -8.610 223 2HE LYS 34 1HE LYS 34 2.797 -4.041 -7.479 224 1HZ LYS 34 1HZ LYS 34 1.440 -5.705 -8.904 225 2HZ LYS 34 2HZ LYS 34 2.947 -5.153 -9.463 226 3HZ LYS 34 3HZ LYS 34 1.511 -4.488 -10.085 227 H CYS 35 H CYS 35 -0.764 -4.924 -3.298 228 HA CYS 35 HA CYS 35 -3.349 -3.830 -3.985 229 1HB CYS 35 2HB CYS 35 -3.236 -6.144 -4.225 230 2HB CYS 35 1HB CYS 35 -2.323 -6.364 -2.742 231 H ASN 36 H ASN 36 -1.519 -4.308 -1.023 232 HA ASN 36 HA ASN 36 -3.669 -3.399 0.725 233 1HB ASN 36 2HB ASN 36 -1.287 -4.755 1.109 234 2HB ASN 36 1HB ASN 36 -0.916 -3.147 1.727 235 1HD2 ASN 36 1HD2 ASN 36 -4.021 -4.962 1.785 236 2HD2 ASN 36 2HD2 ASN 36 -4.185 -4.927 3.473 237 H PHE 37 H PHE 37 -1.056 -2.020 -1.106 238 HA PHE 37 HA PHE 37 -1.040 0.560 0.215 239 1HB PHE 37 2HB PHE 37 0.840 -0.378 -1.206 240 2HB PHE 37 1HB PHE 37 -0.176 -0.098 -2.619 241 HD1 PHE 37 1HD PHE 37 -0.955 2.261 -3.130 242 HD2 PHE 37 2HD PHE 37 2.032 1.398 -0.166 243 HE1 PHE 37 1HE PHE 37 -0.220 4.629 -3.181 244 HE2 PHE 37 2HE PHE 37 2.768 3.767 -0.216 245 HZ PHE 37 HZ PHE 37 1.642 5.382 -1.725 246 H CYS 38 H CYS 38 -2.842 -0.955 -2.353 247 HA CYS 38 HA CYS 38 -4.039 1.456 -3.412 248 1HB CYS 38 2HB CYS 38 -4.287 -1.441 -3.800 249 2HB CYS 38 1HB CYS 38 -5.831 -0.598 -3.921 250 H CYS 39 H CYS 39 -4.753 -0.758 -0.785 251 HA CYS 39 HA CYS 39 -7.419 0.372 -0.320 252 1HB CYS 39 2HB CYS 39 -7.246 -1.882 0.369 253 2HB CYS 39 1HB CYS 39 -5.675 -1.625 1.125 254 H ALA 40 H ALA 40 -4.138 0.888 0.795 255 HA ALA 40 HA ALA 40 -4.929 2.609 3.023 256 1HB ALA 40 1HB ALA 40 -2.705 1.255 2.701 257 2HB ALA 40 2HB ALA 40 -2.637 2.852 3.446 258 3HB ALA 40 3HB ALA 40 -2.204 2.653 1.748 259 H VAL 41 H VAL 41 -4.436 2.931 -0.368 260 HA VAL 41 HA VAL 41 -3.991 5.834 -0.282 261 HB VAL 41 HB VAL 41 -4.387 3.827 -2.511 262 1HG1 VAL 41 1HG1 VAL 41 -4.644 6.770 -2.526 263 2HG1 VAL 41 2HG1 VAL 41 -5.218 5.586 -3.698 264 3HG1 VAL 41 3HG1 VAL 41 -3.539 6.126 -3.739 265 1HG2 VAL 41 1HG2 VAL 41 -2.042 5.662 -2.000 266 2HG2 VAL 41 2HG2 VAL 41 -2.084 4.172 -2.943 267 3HG2 VAL 41 3HG2 VAL 41 -2.183 4.105 -1.183 268 H VAL 42 H VAL 42 -6.641 3.581 -0.840 269 HA VAL 42 HA VAL 42 -8.469 5.780 -1.580 270 HB VAL 42 HB VAL 42 -8.812 2.782 -1.328 271 1HG1 VAL 42 1HG1 VAL 42 -10.881 4.929 -1.869 272 2HG1 VAL 42 2HG1 VAL 42 -10.892 3.740 -0.567 273 3HG1 VAL 42 3HG1 VAL 42 -11.128 3.221 -2.236 274 1HG2 VAL 42 1HG2 VAL 42 -7.727 3.414 -3.368 275 2HG2 VAL 42 2HG2 VAL 42 -8.817 4.780 -3.603 276 3HG2 VAL 42 3HG2 VAL 42 -9.417 3.132 -3.786 277 H GLU 43 H GLU 43 -7.343 4.334 1.268 278 HA GLU 43 HA GLU 43 -9.850 5.005 2.740 279 1HB GLU 43 2HB GLU 43 -8.924 3.705 4.586 280 2HB GLU 43 1HB GLU 43 -8.847 2.744 3.108 281 1HG GLU 43 2HG GLU 43 -6.667 2.446 3.681 282 2HG GLU 43 1HG GLU 43 -6.453 4.063 3.009 283 H SER 44 H SER 44 -6.497 5.923 2.333 284 HA SER 44 HA SER 44 -6.554 7.700 4.683 285 1HB SER 44 2HB SER 44 -4.507 6.403 3.527 286 2HB SER 44 1HB SER 44 -4.403 7.915 2.629 287 HG SER 44 HG SER 44 -4.723 8.752 4.988 288 H ASN 45 H ASN 45 -8.003 7.897 1.788 289 HA ASN 45 HA ASN 45 -8.993 9.749 0.718 290 1HB ASN 45 2HB ASN 45 -8.231 10.773 3.212 291 2HB ASN 45 1HB ASN 45 -7.519 11.881 2.038 292 1HD2 ASN 45 1HD2 ASN 45 -9.437 13.152 3.342 293 2HD2 ASN 45 2HD2 ASN 45 -10.913 13.193 2.506 294 H GLY 46 H GLY 46 -6.223 8.530 0.213 295 1HA GLY 46 2HA GLY 46 -4.720 8.821 -1.589 296 2HA GLY 46 1HA GLY 46 -5.513 10.356 -1.952 297 H THR 47 H THR 47 -4.535 9.874 1.317 298 HA THR 47 HA THR 47 -2.448 11.956 0.953 299 HB THR 47 HB THR 47 -4.236 12.213 2.711 300 HG1 THR 47 1HG THR 47 -2.647 13.395 3.397 301 1HG2 THR 47 1HG2 THR 47 -4.099 9.677 3.240 302 2HG2 THR 47 2HG2 THR 47 -4.322 10.795 4.585 303 3HG2 THR 47 3HG2 THR 47 -2.727 10.117 4.258 304 H LEU 48 H LEU 48 -2.219 8.944 0.356 305 HA LEU 48 HA LEU 48 0.233 8.502 2.015 306 1HB LEU 48 2HB LEU 48 -1.818 6.937 2.377 307 2HB LEU 48 1HB LEU 48 -1.372 6.251 0.815 308 HG LEU 48 HG LEU 48 1.020 6.504 2.338 309 1HD1 LEU 48 1HD1 LEU 48 -0.587 6.592 4.292 310 2HD1 LEU 48 2HD1 LEU 48 0.537 5.232 4.329 311 3HD1 LEU 48 3HD1 LEU 48 -1.135 4.981 3.828 312 1HD2 LEU 48 1HD2 LEU 48 1.302 4.498 1.344 313 2HD2 LEU 48 2HD2 LEU 48 -0.336 4.645 0.709 314 3HD2 LEU 48 3HD2 LEU 48 -0.054 3.813 2.239 315 H THR 49 H THR 49 2.088 8.024 0.858 316 HA THR 49 HA THR 49 1.775 7.536 -2.075 317 HB THR 49 HB THR 49 3.225 9.229 -2.652 318 HG1 THR 49 1HG THR 49 4.814 9.990 -1.122 319 1HG2 THR 49 1HG2 THR 49 2.892 11.205 -1.132 320 2HG2 THR 49 2HG2 THR 49 2.119 10.120 0.023 321 3HG2 THR 49 3HG2 THR 49 1.397 10.378 -1.565 322 H LEU 50 H LEU 50 4.643 7.514 -2.438 323 HA LEU 50 HA LEU 50 5.348 5.023 -0.940 324 1HB LEU 50 2HB LEU 50 4.788 4.698 -3.395 325 2HB LEU 50 1HB LEU 50 6.191 5.696 -3.773 326 HG LEU 50 HG LEU 50 7.674 4.134 -2.652 327 1HD1 LEU 50 1HD1 LEU 50 6.431 1.894 -1.939 328 2HD1 LEU 50 2HD1 LEU 50 5.070 2.993 -1.713 329 3HD1 LEU 50 3HD1 LEU 50 6.568 3.248 -0.818 330 1HD2 LEU 50 1HD2 LEU 50 6.646 1.949 -3.970 331 2HD2 LEU 50 2HD2 LEU 50 7.601 3.219 -4.733 332 3HD2 LEU 50 3HD2 LEU 50 5.840 3.282 -4.798 333 H SER 51 H SER 51 7.815 4.704 -0.888 334 HA SER 51 HA SER 51 9.336 7.229 -1.130 335 1HB SER 51 2HB SER 51 8.369 6.150 1.394 336 2HB SER 51 1HB SER 51 10.125 6.288 1.373 337 HG SER 51 HG SER 51 8.613 8.395 0.335 338 H HIS 52 H HIS 52 9.328 3.743 -0.487 339 HA HIS 52 HA HIS 52 11.886 3.516 -1.890 340 1HB HIS 52 2HB HIS 52 12.968 3.900 0.126 341 2HB HIS 52 1HB HIS 52 11.644 3.245 1.083 342 HD1 HIS 52 1HD HIS 52 11.660 0.744 1.586 343 HD2 HIS 52 2HD HIS 52 14.742 1.893 -0.972 344 HE1 HIS 52 1HE HIS 52 13.203 -1.248 1.393 345 H PHE 53 H PHE 53 10.749 2.136 -3.303 346 HA PHE 53 HA PHE 53 8.964 0.088 -2.780 347 1HB PHE 53 2HB PHE 53 10.743 0.768 -4.910 348 2HB PHE 53 1HB PHE 53 10.883 -0.966 -4.624 349 HD1 PHE 53 1HD PHE 53 8.602 1.773 -5.567 350 HD2 PHE 53 2HD PHE 53 8.986 -2.459 -4.943 351 HE1 PHE 53 1HE PHE 53 6.432 1.407 -6.709 352 HE2 PHE 53 2HE PHE 53 6.815 -2.826 -6.084 353 HZ PHE 53 HZ PHE 53 5.538 -0.893 -6.967 354 H GLY 54 H GLY 54 9.302 -1.029 -0.832 355 1HA GLY 54 2HA GLY 54 10.494 -3.425 -0.624 356 2HA GLY 54 1HA GLY 54 11.896 -2.378 -0.397 357 H LYS 55 H LYS 55 11.790 -3.602 1.777 358 HA LYS 55 HA LYS 55 9.701 -2.878 3.645 359 1HB LYS 55 2HB LYS 55 11.388 -3.744 5.352 360 2HB LYS 55 1HB LYS 55 10.910 -4.891 4.100 361 1HG LYS 55 2HG LYS 55 12.934 -4.575 2.889 362 2HG LYS 55 1HG LYS 55 13.346 -3.126 3.808 363 1HD LYS 55 2HD LYS 55 12.940 -5.433 5.545 364 2HD LYS 55 1HD LYS 55 14.213 -5.720 4.359 365 1HE LYS 55 2HE LYS 55 14.259 -3.054 5.646 366 2HE LYS 55 1HE LYS 55 14.622 -4.413 6.709 367 1HZ LYS 55 1HZ LYS 55 16.264 -3.227 4.763 368 2HZ LYS 55 2HZ LYS 55 15.967 -4.835 4.308 369 3HZ LYS 55 3HZ LYS 55 16.636 -4.491 5.831 370 H CYS 56 H CYS 56 9.892 -1.400 5.427 371 HA CYS 56 HA CYS 56 12.077 0.619 5.145 372 1HB CYS 56 2HB CYS 56 9.351 1.023 4.549 373 2HB CYS 56 1HB CYS 56 9.618 1.801 6.108
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