NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25849 | 2kcn | 16087 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 -15.920 2.287 1.675 2 HA ALA 1 HA ALA 1 -16.007 2.586 -1.258 3 HB1 ALA 1 1HB ALA 1 -15.339 4.689 -1.039 4 HB2 ALA 1 2HB ALA 1 -15.489 4.524 0.711 5 HB3 ALA 1 3HB ALA 1 -13.948 4.187 -0.078 6 H LYS 2 H LYS 2 -13.429 2.985 -1.869 7 HA LYS 2 HA LYS 2 -11.668 1.120 -0.593 8 HB2 LYS 2 1HB LYS 2 -13.182 0.342 -3.025 9 HB3 LYS 2 2HB LYS 2 -11.473 -0.073 -2.990 10 HG2 LYS 2 1HG LYS 2 -11.949 -1.854 -1.775 11 HG3 LYS 2 2HG LYS 2 -12.553 -0.806 -0.489 12 HD2 LYS 2 1HD LYS 2 -14.389 -2.142 -0.925 13 HD3 LYS 2 2HD LYS 2 -14.717 -0.730 -1.932 14 HE2 LYS 2 1HE LYS 2 -13.138 -2.872 -3.199 15 HE3 LYS 2 2HE LYS 2 -14.811 -3.278 -2.820 16 HZ1 LYS 2 3HZ LYS 2 -13.887 -0.981 -4.459 17 HZ2 LYS 2 1HZ LYS 2 -15.499 -1.281 -4.040 18 HZ3 LYS 2 2HZ LYS 2 -14.665 -2.371 -5.028 19 H TYR 3 H TYR 3 -9.584 0.908 -1.862 20 HA TYR 3 HA TYR 3 -9.091 3.114 -3.705 21 HB2 TYR 3 1HB TYR 3 -7.304 2.754 -1.304 22 HB3 TYR 3 2HB TYR 3 -7.339 4.094 -2.445 23 HD1 TYR 3 1HD TYR 3 -9.134 5.775 -2.330 24 HD2 TYR 3 2HD TYR 3 -8.831 2.656 0.546 25 HE1 TYR 3 1HE TYR 3 -10.651 7.011 -0.839 26 HE2 TYR 3 2HE TYR 3 -10.348 3.882 2.045 27 HH TYR 3 HH TYR 3 -10.967 6.461 2.326 28 H THR 4 H THR 4 -7.085 2.924 -4.858 29 HA THR 4 HA THR 4 -5.788 0.294 -4.670 30 HB THR 4 HB THR 4 -6.370 1.496 -7.360 31 HG1 THR 4 1HG THR 4 -8.060 -0.217 -5.833 32 HG21 THR 4 3HG2 THR 4 -6.452 -1.352 -7.244 33 HG22 THR 4 1HG2 THR 4 -5.006 -0.798 -6.402 34 HG23 THR 4 2HG2 THR 4 -5.292 -0.317 -8.074 35 H GLY 5 H GLY 5 -3.621 0.237 -5.239 36 HA2 GLY 5 1HA GLY 5 -2.299 2.463 -6.465 37 HA3 GLY 5 2HA GLY 5 -2.030 2.413 -4.729 38 H LYS 6 H LYS 6 0.206 2.085 -5.102 39 HA LYS 6 HA LYS 6 0.858 -0.722 -5.569 40 HB2 LYS 6 1HB LYS 6 2.296 1.540 -6.968 41 HB3 LYS 6 2HB LYS 6 2.729 -0.162 -7.048 42 HG2 LYS 6 1HG LYS 6 1.572 0.043 -8.996 43 HG3 LYS 6 2HG LYS 6 0.254 -0.405 -7.912 44 HD2 LYS 6 1HD LYS 6 -0.799 1.489 -8.407 45 HD3 LYS 6 2HD LYS 6 0.573 2.417 -7.797 46 HE2 LYS 6 1HE LYS 6 1.654 2.212 -10.003 47 HE3 LYS 6 2HE LYS 6 0.238 1.348 -10.599 48 HZ1 LYS 6 3HZ LYS 6 0.577 4.187 -10.025 49 HZ2 LYS 6 1HZ LYS 6 -0.934 3.514 -9.670 50 HZ3 LYS 6 2HZ LYS 6 -0.318 3.428 -11.243 51 H CYS 7 H CYS 7 3.256 -1.102 -5.043 52 HA CYS 7 HA CYS 7 3.924 0.487 -2.655 53 HB2 CYS 7 1HB CYS 7 4.188 -2.426 -3.291 54 HB3 CYS 7 2HB CYS 7 5.317 -1.692 -2.159 55 HG CYS 7 HG CYS 7 3.777 -2.134 -0.161 56 H THR 8 H THR 8 6.339 0.360 -2.112 57 HA THR 8 HA THR 8 7.892 0.741 -4.590 58 HB THR 8 HB THR 8 9.154 2.148 -2.483 59 HG1 THR 8 1HG THR 8 7.515 3.501 -1.768 60 HG21 THR 8 3HG2 THR 8 9.269 3.779 -4.045 61 HG22 THR 8 1HG2 THR 8 7.553 3.674 -4.435 62 HG23 THR 8 2HG2 THR 8 8.686 2.509 -5.121 63 H LYS 9 H LYS 9 9.734 -0.376 -4.797 64 HA LYS 9 HA LYS 9 10.381 -2.536 -3.202 65 HB2 LYS 9 1HB LYS 9 12.680 -2.348 -4.303 66 HB3 LYS 9 2HB LYS 9 11.293 -2.507 -5.372 67 HG2 LYS 9 1HG LYS 9 11.772 -0.596 -6.383 68 HG3 LYS 9 2HG LYS 9 11.837 0.266 -4.844 69 HD2 LYS 9 1HD LYS 9 13.979 0.532 -5.758 70 HD3 LYS 9 2HD LYS 9 14.163 -0.762 -4.572 71 HE2 LYS 9 1HE LYS 9 14.775 -2.225 -6.139 72 HE3 LYS 9 2HE LYS 9 13.417 -1.787 -7.175 73 HZ1 LYS 9 3HZ LYS 9 14.642 -0.195 -8.262 74 HZ2 LYS 9 1HZ LYS 9 15.824 -1.371 -7.977 75 HZ3 LYS 9 2HZ LYS 9 15.744 0.003 -6.993 76 H SER 10 H SER 10 11.433 0.801 -2.949 77 HA SER 10 HA SER 10 13.374 0.221 -0.889 78 HB2 SER 10 1HB SER 10 13.590 2.712 -0.775 79 HB3 SER 10 2HB SER 10 13.849 2.056 -2.391 80 HG SER 10 HG SER 10 12.241 3.959 -1.819 81 H LYS 11 H LYS 11 10.036 1.110 -1.088 82 HA LYS 11 HA LYS 11 9.834 0.946 1.818 83 HB2 LYS 11 1HB LYS 11 9.918 3.415 0.663 84 HB3 LYS 11 2HB LYS 11 8.189 3.096 0.654 85 HG2 LYS 11 1HG LYS 11 8.125 3.788 2.755 86 HG3 LYS 11 2HG LYS 11 9.055 2.355 3.201 87 HD2 LYS 11 1HD LYS 11 11.132 3.670 2.666 88 HD3 LYS 11 2HD LYS 11 10.103 5.096 2.513 89 HE2 LYS 11 1HE LYS 11 9.818 3.477 4.978 90 HE3 LYS 11 2HE LYS 11 11.304 4.409 4.800 91 HZ1 LYS 11 3HZ LYS 11 9.509 5.615 5.960 92 HZ2 LYS 11 1HZ LYS 11 8.577 5.555 4.550 93 HZ3 LYS 11 2HZ LYS 11 10.038 6.406 4.562 94 H ASN 12 H ASN 12 8.450 -0.671 2.103 95 HA ASN 12 HA ASN 12 6.426 -1.301 0.153 96 HB2 ASN 12 1HB ASN 12 7.541 -3.132 1.269 97 HB3 ASN 12 2HB ASN 12 7.082 -2.505 2.849 98 HD21 ASN 12 2HD2 ASN 12 5.761 -3.987 3.655 99 HD22 ASN 12 1HD2 ASN 12 4.348 -4.601 2.873 100 H GLU 13 H GLU 13 5.366 0.839 0.375 101 HA GLU 13 HA GLU 13 3.289 0.699 2.444 102 HB2 GLU 13 1HB GLU 13 3.460 3.001 2.984 103 HB3 GLU 13 2HB GLU 13 5.097 2.363 3.048 104 HG2 GLU 13 1HG GLU 13 5.290 3.200 0.624 105 HG3 GLU 13 2HG GLU 13 3.856 4.153 0.999 106 H CYS 14 H CYS 14 1.296 1.680 1.880 107 HA CYS 14 HA CYS 14 0.807 1.667 -0.982 108 HB2 CYS 14 1HB CYS 14 -0.688 0.485 0.659 109 HB3 CYS 14 2HB CYS 14 -1.186 2.063 1.256 110 HG CYS 14 HG CYS 14 -3.212 2.069 -0.320 111 H LYS 15 H LYS 15 1.330 3.510 -1.987 112 HA LYS 15 HA LYS 15 0.892 6.080 -0.708 113 HB2 LYS 15 1HB LYS 15 1.931 6.984 -2.796 114 HB3 LYS 15 2HB LYS 15 2.949 5.850 -1.919 115 HG2 LYS 15 1HG LYS 15 3.076 4.490 -3.665 116 HG3 LYS 15 2HG LYS 15 1.325 4.497 -3.885 117 HD2 LYS 15 1HD LYS 15 1.424 6.021 -5.532 118 HD3 LYS 15 2HD LYS 15 2.635 6.989 -4.686 119 HE2 LYS 15 1HE LYS 15 3.262 4.399 -6.090 120 HE3 LYS 15 2HE LYS 15 3.379 5.976 -6.869 121 HZ1 LYS 15 3HZ LYS 15 5.028 4.846 -4.714 122 HZ2 LYS 15 1HZ LYS 15 4.855 6.525 -4.830 123 HZ3 LYS 15 2HZ LYS 15 5.509 5.651 -6.122 124 H TYR 16 H TYR 16 -1.519 5.281 -0.787 125 HA TYR 16 HA TYR 16 -2.776 5.983 -3.333 126 HB2 TYR 16 1HB TYR 16 -4.756 4.961 -2.509 127 HB3 TYR 16 2HB TYR 16 -3.430 3.903 -2.038 128 HD1 TYR 16 2HD TYR 16 -2.558 4.072 0.350 129 HD2 TYR 16 1HD TYR 16 -6.227 5.830 -0.899 130 HE1 TYR 16 2HE TYR 16 -3.296 4.184 2.693 131 HE2 TYR 16 1HE TYR 16 -6.974 5.947 1.441 132 HH TYR 16 HH TYR 16 -4.889 4.832 4.094 133 H LYS 17 H LYS 17 -5.187 6.954 -2.572 134 HA LYS 17 HA LYS 17 -4.593 9.358 -0.984 135 HB2 LYS 17 1HB LYS 17 -5.867 10.717 -2.580 136 HB3 LYS 17 2HB LYS 17 -4.475 9.964 -3.348 137 HG2 LYS 17 1HG LYS 17 -6.273 8.110 -3.936 138 HG3 LYS 17 2HG LYS 17 -7.369 9.483 -3.765 139 HD2 LYS 17 1HD LYS 17 -5.266 10.483 -5.268 140 HD3 LYS 17 2HD LYS 17 -5.497 8.849 -5.893 141 HE2 LYS 17 1HE LYS 17 -7.617 9.294 -6.648 142 HE3 LYS 17 2HE LYS 17 -7.896 10.556 -5.449 143 HZ1 LYS 17 3HZ LYS 17 -6.041 11.766 -6.792 144 HZ2 LYS 17 1HZ LYS 17 -7.640 11.782 -7.344 145 HZ3 LYS 17 2HZ LYS 17 -6.518 10.722 -8.035 146 H ASN 18 H ASN 18 -6.121 9.921 0.456 147 HA ASN 18 HA ASN 18 -8.687 8.477 0.346 148 HB2 ASN 18 1HB ASN 18 -8.653 8.130 2.636 149 HB3 ASN 18 2HB ASN 18 -6.942 7.983 2.244 150 HD21 ASN 18 2HD2 ASN 18 -5.760 10.156 2.305 151 HD22 ASN 18 1HD2 ASN 18 -6.092 11.149 3.679 152 H ASP 19 H ASP 19 -10.435 9.615 1.642 153 HA ASP 19 HA ASP 19 -11.744 11.434 2.073 154 HB2 ASP 19 1HB ASP 19 -9.504 12.301 3.061 155 HB3 ASP 19 2HB ASP 19 -9.414 13.271 1.594 156 H ALA 20 H ALA 20 -9.379 12.734 -0.256 157 HA ALA 20 HA ALA 20 -11.049 12.480 -2.513 158 HB1 ALA 20 1HB ALA 20 -11.028 15.217 -1.245 159 HB2 ALA 20 2HB ALA 20 -11.666 14.836 -2.846 160 HB3 ALA 20 3HB ALA 20 -12.422 14.148 -1.409 161 H GLY 21 H GLY 21 -8.394 11.924 -2.055 162 HA2 GLY 21 1HA GLY 21 -6.670 12.144 -3.729 163 HA3 GLY 21 2HA GLY 21 -7.098 13.842 -3.879 164 H LYS 22 H LYS 22 -6.988 12.619 -0.686 165 HA LYS 22 HA LYS 22 -4.759 14.329 -0.055 166 HB2 LYS 22 1HB LYS 22 -6.962 13.339 1.342 167 HB3 LYS 22 2HB LYS 22 -5.580 12.546 2.086 168 HG2 LYS 22 1HG LYS 22 -5.825 15.521 1.693 169 HG3 LYS 22 2HG LYS 22 -6.233 14.666 3.183 170 HD2 LYS 22 1HD LYS 22 -3.849 13.748 3.101 171 HD3 LYS 22 2HD LYS 22 -3.541 14.988 1.883 172 HE2 LYS 22 1HE LYS 22 -4.480 16.644 3.585 173 HE3 LYS 22 2HE LYS 22 -4.322 15.343 4.764 174 HZ1 LYS 22 3HZ LYS 22 -2.186 16.724 3.260 175 HZ2 LYS 22 1HZ LYS 22 -1.923 15.215 3.979 176 HZ3 LYS 22 2HZ LYS 22 -2.349 16.544 4.933 177 H ASP 23 H ASP 23 -2.721 13.718 -0.296 178 HA ASP 23 HA ASP 23 -1.806 11.191 -0.923 179 HB2 ASP 23 1HB ASP 23 -0.580 13.704 0.005 180 HB3 ASP 23 2HB ASP 23 0.369 12.256 0.331 181 H THR 24 H THR 24 -1.591 9.361 0.174 182 HA THR 24 HA THR 24 -1.180 9.464 3.077 183 HB THR 24 HB THR 24 -3.242 7.728 1.706 184 HG1 THR 24 1HG THR 24 -3.575 9.734 3.702 185 HG21 THR 24 3HG2 THR 24 -3.775 6.953 3.992 186 HG22 THR 24 1HG2 THR 24 -2.378 7.841 4.597 187 HG23 THR 24 2HG2 THR 24 -2.151 6.491 3.485 188 H PHE 25 H PHE 25 0.301 8.056 3.803 189 HA PHE 25 HA PHE 25 1.100 5.837 2.045 190 HB2 PHE 25 1HB PHE 25 2.984 7.652 3.564 191 HB3 PHE 25 2HB PHE 25 3.454 6.251 2.606 192 HD1 PHE 25 2HD PHE 25 1.914 9.609 2.404 193 HD2 PHE 25 1HD PHE 25 3.799 6.427 0.297 194 HE1 PHE 25 2HE PHE 25 2.091 11.039 0.409 195 HE2 PHE 25 1HE PHE 25 3.981 7.852 -1.700 196 HZ PHE 25 HZ PHE 25 3.125 10.161 -1.646 197 H ILE 26 H ILE 26 0.652 4.019 3.089 198 HA ILE 26 HA ILE 26 1.336 3.844 5.948 199 HB ILE 26 HB ILE 26 -1.078 3.969 5.798 200 HG12 ILE 26 1HG1 ILE 26 -1.661 1.849 6.894 201 HG13 ILE 26 2HG1 ILE 26 -0.169 1.126 6.302 202 HG21 ILE 26 1HG2 ILE 26 -1.675 1.507 4.468 203 HG22 ILE 26 2HG2 ILE 26 -2.221 3.140 4.088 204 HG23 ILE 26 3HG2 ILE 26 -0.711 2.535 3.407 205 HD11 ILE 26 3HD1 ILE 26 0.035 1.750 8.630 206 HD12 ILE 26 1HD1 ILE 26 1.123 2.716 7.632 207 HD13 ILE 26 2HD1 ILE 26 -0.378 3.419 8.236 208 H LYS 27 H LYS 27 2.752 2.294 6.375 209 HA LYS 27 HA LYS 27 3.706 0.516 4.389 210 HB2 LYS 27 1HB LYS 27 4.120 0.472 7.384 211 HB3 LYS 27 2HB LYS 27 5.045 -0.467 6.220 212 HG2 LYS 27 1HG LYS 27 6.126 1.408 5.375 213 HG3 LYS 27 2HG LYS 27 4.917 2.516 6.028 214 HD2 LYS 27 1HD LYS 27 6.205 2.813 7.816 215 HD3 LYS 27 2HD LYS 27 5.996 1.107 8.219 216 HE2 LYS 27 1HE LYS 27 7.894 0.642 6.605 217 HE3 LYS 27 2HE LYS 27 8.180 2.381 6.587 218 HZ1 LYS 27 3HZ LYS 27 8.141 1.971 9.189 219 HZ2 LYS 27 1HZ LYS 27 9.555 1.813 8.272 220 HZ3 LYS 27 2HZ LYS 27 8.670 0.438 8.705 221 H CYS 28 H CYS 28 3.020 -1.435 3.799 222 HA CYS 28 HA CYS 28 0.677 -2.572 4.970 223 HB2 CYS 28 1HB CYS 28 2.534 -3.901 2.994 224 HB3 CYS 28 2HB CYS 28 0.829 -4.243 3.261 225 HG CYS 28 HG CYS 28 1.962 -1.265 2.018 226 HA PRO 29 HA PRO 29 2.376 -5.288 7.966 227 HB2 PRO 29 1HB PRO 29 0.637 -7.369 7.831 228 HB3 PRO 29 2HB PRO 29 0.214 -5.808 8.543 229 HG2 PRO 29 1HG PRO 29 -0.398 -6.872 5.812 230 HG3 PRO 29 2HG PRO 29 -1.450 -5.981 6.928 231 HD2 PRO 29 1HD PRO 29 -0.215 -4.796 4.830 232 HD3 PRO 29 2HD PRO 29 -0.546 -3.941 6.350 233 H LYS 30 H LYS 30 4.323 -5.664 6.649 234 HA LYS 30 HA LYS 30 4.516 -8.479 5.910 235 HB2 LYS 30 1HB LYS 30 5.269 -6.195 4.085 236 HB3 LYS 30 2HB LYS 30 5.841 -7.842 3.857 237 HG2 LYS 30 1HG LYS 30 2.917 -7.193 4.012 238 HG3 LYS 30 2HG LYS 30 3.821 -7.091 2.500 239 HD2 LYS 30 1HD LYS 30 3.822 -9.311 2.243 240 HD3 LYS 30 2HD LYS 30 4.314 -9.580 3.917 241 HE2 LYS 30 1HE LYS 30 1.582 -8.657 3.762 242 HE3 LYS 30 2HE LYS 30 1.820 -10.105 2.785 243 HZ1 LYS 30 3HZ LYS 30 2.128 -11.370 4.590 244 HZ2 LYS 30 1HZ LYS 30 1.340 -10.122 5.418 245 HZ3 LYS 30 2HZ LYS 30 3.030 -10.196 5.409 246 H PHE 31 H PHE 31 5.550 -8.118 8.120 247 HA PHE 31 HA PHE 31 8.134 -6.850 8.137 248 HB2 PHE 31 1HB PHE 31 6.445 -8.299 10.122 249 HB3 PHE 31 2HB PHE 31 8.175 -8.195 10.432 250 HD1 PHE 31 2HD PHE 31 5.112 -6.209 9.885 251 HD2 PHE 31 1HD PHE 31 9.163 -6.195 11.193 252 HE1 PHE 31 2HE PHE 31 4.806 -3.946 10.798 253 HE2 PHE 31 1HE PHE 31 8.862 -3.932 12.109 254 HZ PHE 31 HZ PHE 31 6.682 -2.803 11.912 255 H ASP 32 H ASP 32 9.743 -7.771 7.040 256 HA ASP 32 HA ASP 32 11.173 -9.330 6.191 257 HB2 ASP 32 1HB ASP 32 10.653 -10.932 8.689 258 HB3 ASP 32 2HB ASP 32 12.148 -10.792 7.767 259 H ASN 33 H ASN 33 8.373 -9.637 5.515 260 HA ASN 33 HA ASN 33 8.347 -12.532 4.978 261 HB2 ASN 33 1HB ASN 33 6.333 -10.880 6.255 262 HB3 ASN 33 2HB ASN 33 5.692 -11.671 4.818 263 HD21 ASN 33 2HD2 ASN 33 5.980 -11.978 8.026 264 HD22 ASN 33 1HD2 ASN 33 5.957 -13.699 8.178 265 H LYS 34 H LYS 34 7.519 -9.301 3.856 266 HA LYS 34 HA LYS 34 8.205 -9.795 1.194 267 HB2 LYS 34 1HB LYS 34 5.494 -10.583 1.921 268 HB3 LYS 34 2HB LYS 34 5.517 -9.389 0.629 269 HG2 LYS 34 1HG LYS 34 7.457 -11.154 -0.162 270 HG3 LYS 34 2HG LYS 34 6.258 -12.206 0.593 271 HD2 LYS 34 1HD LYS 34 4.523 -10.996 -0.809 272 HD3 LYS 34 2HD LYS 34 5.877 -10.294 -1.699 273 HE2 LYS 34 1HE LYS 34 6.675 -12.570 -2.217 274 HE3 LYS 34 2HE LYS 34 5.267 -13.232 -1.387 275 HZ1 LYS 34 3HZ LYS 34 4.047 -12.942 -3.198 276 HZ2 LYS 34 1HZ LYS 34 5.443 -12.490 -4.039 277 HZ3 LYS 34 2HZ LYS 34 4.474 -11.309 -3.311 278 H LYS 35 H LYS 35 9.137 -7.770 2.155 279 HA LYS 35 HA LYS 35 7.372 -5.486 2.318 280 HB2 LYS 35 1HB LYS 35 10.393 -5.538 2.359 281 HB3 LYS 35 2HB LYS 35 9.354 -4.221 2.885 282 HG2 LYS 35 1HG LYS 35 8.623 -5.420 4.778 283 HG3 LYS 35 2HG LYS 35 9.291 -6.936 4.168 284 HD2 LYS 35 1HD LYS 35 10.839 -6.271 5.776 285 HD3 LYS 35 2HD LYS 35 11.562 -5.720 4.262 286 HE2 LYS 35 1HE LYS 35 11.792 -3.793 5.426 287 HE3 LYS 35 2HE LYS 35 10.133 -3.542 4.884 288 HZ1 LYS 35 3HZ LYS 35 9.989 -3.134 7.128 289 HZ2 LYS 35 1HZ LYS 35 11.113 -4.328 7.545 290 HZ3 LYS 35 2HZ LYS 35 9.551 -4.767 7.067 291 H CYS 36 H CYS 36 6.924 -6.394 -0.109 292 HA CYS 36 HA CYS 36 6.836 -5.795 -2.300 293 HB2 CYS 36 1HB CYS 36 6.717 -3.492 -1.274 294 HB3 CYS 36 2HB CYS 36 8.455 -3.367 -1.519 295 HG CYS 36 HG CYS 36 6.806 -4.218 -4.293 296 H THR 37 H THR 37 8.080 -5.818 -4.238 297 HA THR 37 HA THR 37 10.964 -5.983 -4.059 298 HB THR 37 HB THR 37 10.906 -8.264 -5.258 299 HG1 THR 37 1HG THR 37 9.062 -9.329 -5.247 300 HG21 THR 37 3HG2 THR 37 10.077 -8.378 -2.371 301 HG22 THR 37 1HG2 THR 37 11.641 -7.727 -2.859 302 HG23 THR 37 2HG2 THR 37 11.229 -9.402 -3.230 303 H LYS 38 H LYS 38 9.236 -4.222 -5.419 304 HA LYS 38 HA LYS 38 10.379 -4.148 -7.954 305 HB2 LYS 38 1HB LYS 38 8.384 -6.079 -7.868 306 HB3 LYS 38 2HB LYS 38 7.587 -4.686 -8.587 307 HG2 LYS 38 1HG LYS 38 8.807 -4.792 -10.485 308 HG3 LYS 38 2HG LYS 38 10.253 -5.373 -9.654 309 HD2 LYS 38 1HD LYS 38 9.707 -7.534 -9.960 310 HD3 LYS 38 2HD LYS 38 7.996 -7.249 -9.636 311 HE2 LYS 38 1HE LYS 38 8.335 -7.989 -11.932 312 HE3 LYS 38 2HE LYS 38 7.723 -6.336 -11.889 313 HZ1 LYS 38 3HZ LYS 38 10.597 -6.517 -11.906 314 HZ2 LYS 38 1HZ LYS 38 9.568 -5.555 -12.843 315 HZ3 LYS 38 2HZ LYS 38 9.872 -7.156 -13.295 316 H ASP 39 H ASP 39 10.208 -2.117 -8.676 317 HA ASP 39 HA ASP 39 8.986 -0.093 -7.252 318 HB2 ASP 39 1HB ASP 39 9.474 0.019 -10.231 319 HB3 ASP 39 2HB ASP 39 9.486 1.358 -9.086 320 H ASN 40 H ASN 40 6.934 0.428 -6.940 321 HA ASN 40 HA ASN 40 4.666 0.494 -7.147 322 HB2 ASN 40 1HB ASN 40 4.868 0.649 -10.115 323 HB3 ASN 40 2HB ASN 40 3.925 1.634 -9.000 324 HD21 ASN 40 2HD2 ASN 40 4.715 3.536 -8.340 325 HD22 ASN 40 1HD2 ASN 40 6.277 4.151 -8.753 326 H ASN 41 H ASN 41 5.346 -2.025 -6.776 327 HA ASN 41 HA ASN 41 4.738 -3.877 -8.792 328 HB2 ASN 41 1HB ASN 41 5.436 -3.955 -6.042 329 HB3 ASN 41 2HB ASN 41 3.982 -4.928 -6.236 330 HD21 ASN 41 2HD2 ASN 41 6.383 -6.039 -5.491 331 HD22 ASN 41 1HD2 ASN 41 6.965 -7.051 -6.765 332 H LYS 42 H LYS 42 2.701 -3.454 -5.916 333 HA LYS 42 HA LYS 42 0.354 -2.677 -7.217 334 HB2 LYS 42 1HB LYS 42 0.329 -4.762 -8.370 335 HB3 LYS 42 2HB LYS 42 0.712 -5.656 -6.904 336 HG2 LYS 42 1HG LYS 42 -1.426 -5.681 -6.197 337 HG3 LYS 42 2HG LYS 42 -1.771 -4.071 -6.832 338 HD2 LYS 42 1HD LYS 42 -2.272 -4.865 -8.942 339 HD3 LYS 42 2HD LYS 42 -1.315 -6.334 -8.728 340 HE2 LYS 42 1HE LYS 42 -2.964 -7.327 -7.365 341 HE3 LYS 42 2HE LYS 42 -3.812 -5.797 -7.144 342 HZ1 LYS 42 3HZ LYS 42 -3.879 -6.090 -9.810 343 HZ2 LYS 42 1HZ LYS 42 -5.120 -6.574 -8.766 344 HZ3 LYS 42 2HZ LYS 42 -3.981 -7.701 -9.307 345 H CYS 43 H CYS 43 -1.304 -2.300 -5.776 346 HA CYS 43 HA CYS 43 -1.202 -3.436 -3.112 347 HB2 CYS 43 1HB CYS 43 0.225 -1.172 -3.430 348 HB3 CYS 43 2HB CYS 43 -1.357 -0.475 -3.102 349 HG CYS 43 HG CYS 43 0.391 -0.677 -0.793 350 H THR 44 H THR 44 -3.061 -2.604 -1.762 351 HA THR 44 HA THR 44 -5.268 -1.358 -3.081 352 HB THR 44 HB THR 44 -6.490 -3.780 -2.368 353 HG1 THR 44 1HG THR 44 -5.278 -5.189 -3.871 354 HG21 THR 44 3HG2 THR 44 -6.774 -3.954 -4.902 355 HG22 THR 44 1HG2 THR 44 -5.827 -2.470 -4.994 356 HG23 THR 44 2HG2 THR 44 -7.364 -2.483 -4.129 357 H VAL 45 H VAL 45 -6.725 -0.584 -1.633 358 HA VAL 45 HA VAL 45 -6.565 -1.567 1.136 359 HB VAL 45 HB VAL 45 -6.683 1.336 0.306 360 HG11 VAL 45 1HG1 VAL 45 -6.920 -0.027 2.967 361 HG12 VAL 45 2HG1 VAL 45 -6.353 1.640 2.833 362 HG13 VAL 45 3HG1 VAL 45 -7.962 1.206 2.255 363 HG21 VAL 45 3HG2 VAL 45 -4.463 0.188 0.083 364 HG22 VAL 45 1HG2 VAL 45 -4.485 1.554 1.200 365 HG23 VAL 45 2HG2 VAL 45 -4.509 -0.096 1.823 366 H ASP 46 H ASP 46 -8.467 -1.555 2.300 367 HA ASP 46 HA ASP 46 -10.888 -0.729 0.838 368 HB2 ASP 46 1HB ASP 46 -10.341 -3.291 1.082 369 HB3 ASP 46 2HB ASP 46 -10.953 -3.059 2.718 370 H THR 47 H THR 47 -12.422 0.347 1.978 371 HA THR 47 HA THR 47 -11.669 1.486 4.486 372 HB THR 47 HB THR 47 -13.821 2.654 4.405 373 HG1 THR 47 1HG THR 47 -14.328 0.745 2.394 374 HG21 THR 47 3HG2 THR 47 -12.516 3.984 3.140 375 HG22 THR 47 1HG2 THR 47 -13.470 3.362 1.795 376 HG23 THR 47 2HG2 THR 47 -11.909 2.636 2.178 377 H TYR 48 H TYR 48 -13.141 -1.415 3.656 378 HA TYR 48 HA TYR 48 -15.133 -1.815 5.518 379 HB2 TYR 48 1HB TYR 48 -14.397 -3.408 3.703 380 HB3 TYR 48 2HB TYR 48 -13.081 -3.900 4.764 381 HD1 TYR 48 1HD TYR 48 -13.819 -4.679 7.166 382 HD2 TYR 48 2HD TYR 48 -16.389 -4.583 3.776 383 HE1 TYR 48 1HE TYR 48 -15.299 -6.316 8.250 384 HE2 TYR 48 2HE TYR 48 -17.877 -6.220 4.852 385 HH TYR 48 HH TYR 48 -16.995 -7.840 7.809 386 H ASN 49 H ASN 49 -11.696 -2.677 5.937 387 HA ASN 49 HA ASN 49 -11.829 -1.911 8.732 388 HB2 ASN 49 1HB ASN 49 -10.943 -4.105 9.509 389 HB3 ASN 49 2HB ASN 49 -12.582 -4.209 8.873 390 HD21 ASN 49 2HD2 ASN 49 -12.043 -6.495 8.708 391 HD22 ASN 49 1HD2 ASN 49 -11.217 -7.058 7.298 392 H ASN 50 H ASN 50 -10.426 -0.817 6.556 393 HA ASN 50 HA ASN 50 -8.350 -0.171 5.868 394 HB2 ASN 50 1HB ASN 50 -8.488 0.226 8.522 395 HB3 ASN 50 2HB ASN 50 -7.134 -0.899 8.478 396 HD21 ASN 50 2HD2 ASN 50 -5.797 -0.237 6.258 397 HD22 ASN 50 1HD2 ASN 50 -5.221 1.390 6.347 398 H ALA 51 H ALA 51 -8.869 -2.683 5.010 399 HA ALA 51 HA ALA 51 -6.653 -4.425 5.707 400 HB1 ALA 51 1HB ALA 51 -7.746 -5.861 3.858 401 HB2 ALA 51 2HB ALA 51 -8.599 -5.649 5.388 402 HB3 ALA 51 3HB ALA 51 -9.078 -4.710 3.975 403 H VAL 52 H VAL 52 -4.762 -3.639 4.924 404 HA VAL 52 HA VAL 52 -4.631 -2.746 2.140 405 HB VAL 52 HB VAL 52 -2.425 -2.686 4.199 406 HG11 VAL 52 1HG1 VAL 52 -1.401 -1.057 2.730 407 HG12 VAL 52 2HG1 VAL 52 -1.732 -2.543 1.836 408 HG13 VAL 52 3HG1 VAL 52 -2.781 -1.139 1.635 409 HG21 VAL 52 3HG2 VAL 52 -3.162 -0.122 4.029 410 HG22 VAL 52 1HG2 VAL 52 -4.729 -0.884 3.753 411 HG23 VAL 52 2HG2 VAL 52 -3.828 -1.229 5.229 412 H ASP 53 H ASP 53 -4.244 -4.260 0.671 413 HA ASP 53 HA ASP 53 -2.885 -6.718 1.372 414 HB2 ASP 53 1HB ASP 53 -4.138 -5.733 -1.194 415 HB3 ASP 53 2HB ASP 53 -3.333 -7.293 -1.046 416 H CYS 54 H CYS 54 -1.359 -7.506 -0.567 417 HA CYS 54 HA CYS 54 0.438 -5.402 -1.450 418 HB2 CYS 54 1HB CYS 54 2.395 -6.252 -0.383 419 HB3 CYS 54 2HB CYS 54 1.172 -6.072 0.870 420 HG CYS 54 HG CYS 54 2.736 -8.819 -0.204 421 H ASP 55 H ASP 55 1.751 -5.999 -3.176 422 HA ASP 55 HA ASP 55 0.759 -8.023 -4.858 423 HB2 ASP 55 1HB ASP 55 2.080 -5.891 -5.468 424 HB3 ASP 55 2HB ASP 55 3.518 -6.851 -5.129 Start of MODEL 2 1 H1 ALA 1 H ALA 1 -15.695 1.623 1.845 2 HA ALA 1 HA ALA 1 -15.865 2.152 -0.998 3 HB1 ALA 1 1HB ALA 1 -15.230 4.281 -1.012 4 HB2 ALA 1 2HB ALA 1 -15.492 4.306 0.732 5 HB3 ALA 1 3HB ALA 1 -13.890 3.950 0.086 6 H LYS 2 H LYS 2 -13.431 2.420 -1.816 7 HA LYS 2 HA LYS 2 -11.568 0.783 -0.314 8 HB2 LYS 2 1HB LYS 2 -12.583 -0.078 -3.029 9 HB3 LYS 2 2HB LYS 2 -11.235 -0.815 -2.173 10 HG2 LYS 2 1HG LYS 2 -12.826 -1.365 -0.322 11 HG3 LYS 2 2HG LYS 2 -14.134 -0.814 -1.371 12 HD2 LYS 2 1HD LYS 2 -12.170 -2.976 -2.120 13 HD3 LYS 2 2HD LYS 2 -13.748 -3.288 -1.393 14 HE2 LYS 2 1HE LYS 2 -14.880 -2.355 -3.269 15 HE3 LYS 2 2HE LYS 2 -13.377 -1.725 -3.941 16 HZ1 LYS 2 3HZ LYS 2 -12.802 -3.730 -4.768 17 HZ2 LYS 2 1HZ LYS 2 -14.474 -3.992 -4.743 18 HZ3 LYS 2 2HZ LYS 2 -13.504 -4.601 -3.499 19 H TYR 3 H TYR 3 -9.473 0.520 -1.604 20 HA TYR 3 HA TYR 3 -9.015 2.674 -3.516 21 HB2 TYR 3 1HB TYR 3 -7.214 2.406 -1.113 22 HB3 TYR 3 2HB TYR 3 -7.262 3.707 -2.298 23 HD1 TYR 3 2HD TYR 3 -9.251 5.256 -2.317 24 HD2 TYR 3 1HD TYR 3 -8.553 2.478 0.828 25 HE1 TYR 3 2HE TYR 3 -10.772 6.529 -0.864 26 HE2 TYR 3 1HE TYR 3 -10.073 3.742 2.291 27 HH TYR 3 HH TYR 3 -11.756 6.645 1.121 28 H THR 4 H THR 4 -7.242 2.354 -4.857 29 HA THR 4 HA THR 4 -5.745 -0.150 -4.492 30 HB THR 4 HB THR 4 -5.871 -0.478 -6.993 31 HG1 THR 4 1HG THR 4 -7.701 0.568 -7.994 32 HG21 THR 4 3HG2 THR 4 -7.225 -2.057 -6.138 33 HG22 THR 4 1HG2 THR 4 -8.535 -1.013 -6.684 34 HG23 THR 4 2HG2 THR 4 -7.981 -0.932 -5.011 35 H GLY 5 H GLY 5 -3.628 -0.136 -5.194 36 HA2 GLY 5 1HA GLY 5 -2.537 1.920 -6.839 37 HA3 GLY 5 2HA GLY 5 -2.202 2.231 -5.142 38 H LYS 6 H LYS 6 0.023 1.974 -5.412 39 HA LYS 6 HA LYS 6 0.891 -0.801 -5.407 40 HB2 LYS 6 1HB LYS 6 1.978 1.246 -7.349 41 HB3 LYS 6 2HB LYS 6 2.730 -0.312 -7.025 42 HG2 LYS 6 1HG LYS 6 1.547 -0.856 -8.881 43 HG3 LYS 6 2HG LYS 6 0.317 -1.196 -7.660 44 HD2 LYS 6 1HD LYS 6 -1.015 0.198 -8.780 45 HD3 LYS 6 2HD LYS 6 0.014 1.509 -8.197 46 HE2 LYS 6 1HE LYS 6 -0.257 1.636 -10.611 47 HE3 LYS 6 2HE LYS 6 1.419 1.286 -10.190 48 HZ1 LYS 6 3HZ LYS 6 1.276 -0.432 -11.563 49 HZ2 LYS 6 1HZ LYS 6 -0.394 -0.240 -11.758 50 HZ3 LYS 6 2HZ LYS 6 0.208 -1.165 -10.475 51 H CYS 7 H CYS 7 3.250 -0.961 -4.821 52 HA CYS 7 HA CYS 7 3.962 1.225 -2.978 53 HB2 CYS 7 1HB CYS 7 4.557 -1.730 -2.722 54 HB3 CYS 7 2HB CYS 7 5.091 -0.486 -1.599 55 HG CYS 7 HG CYS 7 2.179 0.211 -1.300 56 H THR 8 H THR 8 6.260 1.556 -2.603 57 HA THR 8 HA THR 8 7.825 0.997 -5.033 58 HB THR 8 HB THR 8 7.604 3.348 -4.773 59 HG1 THR 8 1HG THR 8 9.670 3.314 -5.252 60 HG21 THR 8 3HG2 THR 8 8.158 2.788 -1.886 61 HG22 THR 8 1HG2 THR 8 6.870 3.748 -2.611 62 HG23 THR 8 2HG2 THR 8 8.516 4.377 -2.560 63 H LYS 9 H LYS 9 9.880 0.168 -4.899 64 HA LYS 9 HA LYS 9 10.496 -1.582 -2.828 65 HB2 LYS 9 1HB LYS 9 12.834 -1.542 -3.822 66 HB3 LYS 9 2HB LYS 9 11.527 -1.957 -4.923 67 HG2 LYS 9 1HG LYS 9 11.560 0.247 -5.879 68 HG3 LYS 9 2HG LYS 9 12.743 0.787 -4.686 69 HD2 LYS 9 1HD LYS 9 13.207 -1.390 -6.724 70 HD3 LYS 9 2HD LYS 9 13.755 0.281 -6.884 71 HE2 LYS 9 1HE LYS 9 14.587 -1.723 -4.791 72 HE3 LYS 9 2HE LYS 9 15.581 -1.063 -6.089 73 HZ1 LYS 9 3HZ LYS 9 16.133 0.074 -4.097 74 HZ2 LYS 9 1HZ LYS 9 14.511 0.388 -3.735 75 HZ3 LYS 9 2HZ LYS 9 15.248 1.157 -5.049 76 H SER 10 H SER 10 11.108 1.813 -3.141 77 HA SER 10 HA SER 10 13.175 1.956 -1.167 78 HB2 SER 10 1HB SER 10 13.272 4.182 -1.668 79 HB3 SER 10 2HB SER 10 12.366 3.660 -3.090 80 HG SER 10 HG SER 10 11.612 5.348 -1.169 81 H LYS 11 H LYS 11 9.719 1.911 -1.117 82 HA LYS 11 HA LYS 11 9.727 1.817 1.770 83 HB2 LYS 11 1HB LYS 11 8.956 4.228 0.323 84 HB3 LYS 11 2HB LYS 11 7.667 3.627 1.357 85 HG2 LYS 11 1HG LYS 11 8.781 4.110 3.262 86 HG3 LYS 11 2HG LYS 11 10.362 3.765 2.557 87 HD2 LYS 11 1HD LYS 11 8.984 6.095 1.415 88 HD3 LYS 11 2HD LYS 11 9.427 6.256 3.117 89 HE2 LYS 11 1HE LYS 11 11.671 6.165 2.682 90 HE3 LYS 11 2HE LYS 11 11.461 5.182 1.233 91 HZ1 LYS 11 3HZ LYS 11 11.728 7.983 1.444 92 HZ2 LYS 11 1HZ LYS 11 10.236 7.619 0.735 93 HZ3 LYS 11 2HZ LYS 11 11.663 7.026 0.050 94 H ASN 12 H ASN 12 8.483 0.134 2.226 95 HA ASN 12 HA ASN 12 6.516 -0.826 0.356 96 HB2 ASN 12 1HB ASN 12 7.926 -2.393 1.625 97 HB3 ASN 12 2HB ASN 12 7.219 -1.812 3.130 98 HD21 ASN 12 2HD2 ASN 12 5.965 -3.344 3.903 99 HD22 ASN 12 1HD2 ASN 12 4.801 -4.254 3.008 100 H GLU 13 H GLU 13 5.378 1.366 0.628 101 HA GLU 13 HA GLU 13 3.267 1.018 2.643 102 HB2 GLU 13 1HB GLU 13 3.223 3.377 3.117 103 HB3 GLU 13 2HB GLU 13 4.863 2.790 3.359 104 HG2 GLU 13 1HG GLU 13 5.264 3.584 0.940 105 HG3 GLU 13 2HG GLU 13 3.785 4.515 1.171 106 H CYS 14 H CYS 14 1.207 1.786 2.053 107 HA CYS 14 HA CYS 14 0.696 1.672 -0.774 108 HB2 CYS 14 1HB CYS 14 -0.796 0.627 0.935 109 HB3 CYS 14 2HB CYS 14 -1.242 2.240 1.477 110 HG CYS 14 HG CYS 14 -2.492 0.459 -0.985 111 H LYS 15 H LYS 15 0.949 3.377 -2.045 112 HA LYS 15 HA LYS 15 0.542 6.065 -0.945 113 HB2 LYS 15 1HB LYS 15 1.673 6.796 -3.080 114 HB3 LYS 15 2HB LYS 15 2.671 5.849 -1.984 115 HG2 LYS 15 1HG LYS 15 2.546 3.941 -3.345 116 HG3 LYS 15 2HG LYS 15 1.202 4.597 -4.280 117 HD2 LYS 15 1HD LYS 15 2.975 4.929 -5.719 118 HD3 LYS 15 2HD LYS 15 2.908 6.480 -4.877 119 HE2 LYS 15 1HE LYS 15 4.685 5.768 -3.382 120 HE3 LYS 15 2HE LYS 15 4.721 4.182 -4.148 121 HZ1 LYS 15 3HZ LYS 15 5.404 5.231 -6.212 122 HZ2 LYS 15 1HZ LYS 15 6.489 5.607 -4.971 123 HZ3 LYS 15 2HZ LYS 15 5.360 6.757 -5.483 124 H TYR 16 H TYR 16 -1.836 5.367 -1.061 125 HA TYR 16 HA TYR 16 -2.937 5.757 -3.752 126 HB2 TYR 16 1HB TYR 16 -4.934 4.739 -2.992 127 HB3 TYR 16 2HB TYR 16 -3.631 3.780 -2.297 128 HD1 TYR 16 2HD TYR 16 -2.951 4.307 0.127 129 HD2 TYR 16 1HD TYR 16 -6.594 5.638 -1.620 130 HE1 TYR 16 2HE TYR 16 -3.900 4.638 2.372 131 HE2 TYR 16 1HE TYR 16 -7.553 5.974 0.619 132 HH TYR 16 HH TYR 16 -6.390 4.665 3.332 133 H LYS 17 H LYS 17 -5.246 6.876 -3.545 134 HA LYS 17 HA LYS 17 -4.752 9.451 -2.212 135 HB2 LYS 17 1HB LYS 17 -6.386 8.729 -4.643 136 HB3 LYS 17 2HB LYS 17 -6.496 10.297 -3.854 137 HG2 LYS 17 1HG LYS 17 -4.159 10.728 -4.307 138 HG3 LYS 17 2HG LYS 17 -3.979 9.120 -5.015 139 HD2 LYS 17 1HD LYS 17 -6.060 10.088 -6.459 140 HD3 LYS 17 2HD LYS 17 -5.154 11.571 -6.145 141 HE2 LYS 17 1HE LYS 17 -3.183 9.792 -6.843 142 HE3 LYS 17 2HE LYS 17 -4.521 9.311 -7.885 143 HZ1 LYS 17 3HZ LYS 17 -3.874 12.162 -7.677 144 HZ2 LYS 17 1HZ LYS 17 -4.500 11.289 -8.986 145 HZ3 LYS 17 2HZ LYS 17 -2.857 11.177 -8.602 146 H ASN 18 H ASN 18 -5.689 9.333 -0.247 147 HA ASN 18 HA ASN 18 -8.331 8.130 0.030 148 HB2 ASN 18 1HB ASN 18 -7.896 7.927 2.279 149 HB3 ASN 18 2HB ASN 18 -6.247 7.920 1.658 150 HD21 ASN 18 2HD2 ASN 18 -5.357 10.239 1.380 151 HD22 ASN 18 1HD2 ASN 18 -5.588 11.278 2.740 152 H ASP 19 H ASP 19 -10.153 9.232 0.704 153 HA ASP 19 HA ASP 19 -11.568 10.986 1.068 154 HB2 ASP 19 1HB ASP 19 -9.595 11.732 2.584 155 HB3 ASP 19 2HB ASP 19 -9.238 12.869 1.289 156 H ALA 20 H ALA 20 -8.814 12.552 -0.567 157 HA ALA 20 HA ALA 20 -10.054 12.591 -3.118 158 HB1 ALA 20 1HB ALA 20 -10.494 15.011 -3.271 159 HB2 ALA 20 2HB ALA 20 -11.539 14.206 -2.099 160 HB3 ALA 20 3HB ALA 20 -10.165 15.161 -1.544 161 H GLY 21 H GLY 21 -7.597 11.763 -2.517 162 HA2 GLY 21 1HA GLY 21 -5.499 11.992 -3.497 163 HA3 GLY 21 2HA GLY 21 -5.935 13.623 -3.987 164 H LYS 22 H LYS 22 -6.279 12.551 -0.687 165 HA LYS 22 HA LYS 22 -4.510 14.642 0.207 166 HB2 LYS 22 1HB LYS 22 -6.518 12.869 1.405 167 HB3 LYS 22 2HB LYS 22 -5.138 13.182 2.449 168 HG2 LYS 22 1HG LYS 22 -6.012 15.633 1.259 169 HG3 LYS 22 2HG LYS 22 -7.380 14.810 2.011 170 HD2 LYS 22 1HD LYS 22 -6.444 16.162 3.703 171 HD3 LYS 22 2HD LYS 22 -5.893 14.521 4.051 172 HE2 LYS 22 1HE LYS 22 -3.828 15.356 4.113 173 HE3 LYS 22 2HE LYS 22 -3.949 15.540 2.363 174 HZ1 LYS 22 3HZ LYS 22 -3.286 17.608 3.373 175 HZ2 LYS 22 1HZ LYS 22 -4.635 17.596 4.392 176 HZ3 LYS 22 2HZ LYS 22 -4.839 17.779 2.724 177 H ASP 23 H ASP 23 -2.429 14.454 0.721 178 HA ASP 23 HA ASP 23 -0.877 12.248 0.135 179 HB2 ASP 23 1HB ASP 23 0.093 14.456 0.421 180 HB3 ASP 23 2HB ASP 23 -0.333 14.456 2.130 181 H THR 24 H THR 24 -1.131 10.275 0.958 182 HA THR 24 HA THR 24 -0.903 9.919 3.838 183 HB THR 24 HB THR 24 -3.229 8.797 2.265 184 HG1 THR 24 1HG THR 24 -4.444 10.046 3.747 185 HG21 THR 24 3HG2 THR 24 -2.468 7.100 3.777 186 HG22 THR 24 1HG2 THR 24 -3.905 7.842 4.481 187 HG23 THR 24 2HG2 THR 24 -2.306 8.268 5.089 188 H PHE 25 H PHE 25 0.430 8.288 4.280 189 HA PHE 25 HA PHE 25 0.674 6.077 2.370 190 HB2 PHE 25 1HB PHE 25 3.018 7.575 3.562 191 HB3 PHE 25 2HB PHE 25 3.127 6.134 2.556 192 HD1 PHE 25 2HD PHE 25 1.926 9.647 2.537 193 HD2 PHE 25 1HD PHE 25 3.269 6.320 0.246 194 HE1 PHE 25 2HE PHE 25 1.990 11.063 0.525 195 HE2 PHE 25 1HE PHE 25 3.336 7.731 -1.769 196 HZ PHE 25 HZ PHE 25 2.695 10.104 -1.631 197 H ILE 26 H ILE 26 0.592 4.159 3.338 198 HA ILE 26 HA ILE 26 1.408 3.950 6.154 199 HB ILE 26 HB ILE 26 -1.033 4.098 6.112 200 HG12 ILE 26 1HG1 ILE 26 -0.130 1.267 6.678 201 HG13 ILE 26 2HG1 ILE 26 0.144 2.630 7.757 202 HG21 ILE 26 1HG2 ILE 26 -1.244 1.503 4.666 203 HG22 ILE 26 2HG2 ILE 26 -2.417 2.811 4.815 204 HG23 ILE 26 3HG2 ILE 26 -1.037 2.985 3.732 205 HD11 ILE 26 3HD1 ILE 26 -1.730 1.666 8.664 206 HD12 ILE 26 1HD1 ILE 26 -2.436 2.902 7.623 207 HD13 ILE 26 2HD1 ILE 26 -2.394 1.221 7.092 208 H LYS 27 H LYS 27 2.613 2.209 6.628 209 HA LYS 27 HA LYS 27 3.657 0.590 4.560 210 HB2 LYS 27 1HB LYS 27 3.974 0.802 7.490 211 HB3 LYS 27 2HB LYS 27 4.338 -0.776 6.803 212 HG2 LYS 27 1HG LYS 27 6.392 0.193 6.673 213 HG3 LYS 27 2HG LYS 27 5.741 0.666 5.101 214 HD2 LYS 27 1HD LYS 27 6.522 2.689 5.834 215 HD3 LYS 27 2HD LYS 27 4.879 2.750 6.476 216 HE2 LYS 27 1HE LYS 27 5.705 1.942 8.639 217 HE3 LYS 27 2HE LYS 27 7.345 1.896 7.992 218 HZ1 LYS 27 3HZ LYS 27 6.514 3.944 9.341 219 HZ2 LYS 27 1HZ LYS 27 5.837 4.411 7.862 220 HZ3 LYS 27 2HZ LYS 27 7.505 4.164 7.987 221 H CYS 28 H CYS 28 3.087 -1.365 3.809 222 HA CYS 28 HA CYS 28 0.547 -2.455 4.591 223 HB2 CYS 28 1HB CYS 28 2.588 -3.554 2.647 224 HB3 CYS 28 2HB CYS 28 0.910 -4.064 2.790 225 HG CYS 28 HG CYS 28 0.949 -2.590 0.504 226 HA PRO 29 HA PRO 29 1.833 -5.508 7.468 227 HB2 PRO 29 1HB PRO 29 0.046 -7.488 6.963 228 HB3 PRO 29 2HB PRO 29 -0.394 -5.982 7.777 229 HG2 PRO 29 1HG PRO 29 -0.760 -6.763 4.910 230 HG3 PRO 29 2HG PRO 29 -1.888 -5.931 5.997 231 HD2 PRO 29 1HD PRO 29 -0.405 -4.616 4.152 232 HD3 PRO 29 2HD PRO 29 -0.858 -3.890 5.707 233 H LYS 30 H LYS 30 3.897 -5.911 6.429 234 HA LYS 30 HA LYS 30 4.027 -8.613 5.331 235 HB2 LYS 30 1HB LYS 30 5.130 -6.150 3.993 236 HB3 LYS 30 2HB LYS 30 5.770 -7.755 3.663 237 HG2 LYS 30 1HG LYS 30 2.903 -6.922 3.270 238 HG3 LYS 30 2HG LYS 30 4.121 -7.021 1.996 239 HD2 LYS 30 1HD LYS 30 4.406 -9.426 2.514 240 HD3 LYS 30 2HD LYS 30 3.103 -9.297 3.698 241 HE2 LYS 30 1HE LYS 30 1.670 -8.425 1.781 242 HE3 LYS 30 2HE LYS 30 2.953 -8.985 0.710 243 HZ1 LYS 30 3HZ LYS 30 2.222 -11.056 0.880 244 HZ2 LYS 30 1HZ LYS 30 0.869 -10.475 1.714 245 HZ3 LYS 30 2HZ LYS 30 2.229 -11.003 2.571 246 H PHE 31 H PHE 31 4.698 -8.632 7.713 247 HA PHE 31 HA PHE 31 7.330 -7.625 8.305 248 HB2 PHE 31 1HB PHE 31 5.224 -9.121 9.785 249 HB3 PHE 31 2HB PHE 31 6.879 -9.260 10.365 250 HD1 PHE 31 1HD PHE 31 8.060 -7.313 11.233 251 HD2 PHE 31 2HD PHE 31 4.004 -7.066 9.969 252 HE1 PHE 31 1HE PHE 31 7.827 -5.166 12.411 253 HE2 PHE 31 2HE PHE 31 3.765 -4.919 11.143 254 HZ PHE 31 HZ PHE 31 5.678 -3.964 12.366 255 H ASP 32 H ASP 32 8.327 -8.745 6.439 256 HA ASP 32 HA ASP 32 9.734 -10.331 5.614 257 HB2 ASP 32 1HB ASP 32 10.401 -10.256 8.153 258 HB3 ASP 32 2HB ASP 32 9.647 -11.846 8.194 259 H ASN 33 H ASN 33 8.125 -11.095 4.185 260 HA ASN 33 HA ASN 33 7.625 -13.851 4.309 261 HB2 ASN 33 1HB ASN 33 5.904 -12.659 5.985 262 HB3 ASN 33 2HB ASN 33 4.995 -12.477 4.488 263 HD21 ASN 33 2HD2 ASN 33 6.251 -14.693 6.830 264 HD22 ASN 33 1HD2 ASN 33 5.390 -16.087 6.280 265 H LYS 34 H LYS 34 6.652 -10.720 3.047 266 HA LYS 34 HA LYS 34 7.104 -11.443 0.369 267 HB2 LYS 34 1HB LYS 34 4.839 -12.615 1.066 268 HB3 LYS 34 2HB LYS 34 4.177 -11.011 0.783 269 HG2 LYS 34 1HG LYS 34 3.892 -12.102 -1.246 270 HG3 LYS 34 2HG LYS 34 5.350 -11.138 -1.491 271 HD2 LYS 34 1HD LYS 34 6.745 -13.069 -1.118 272 HD3 LYS 34 2HD LYS 34 5.339 -14.050 -0.697 273 HE2 LYS 34 1HE LYS 34 5.381 -12.697 -3.347 274 HE3 LYS 34 2HE LYS 34 6.404 -14.113 -3.116 275 HZ1 LYS 34 3HZ LYS 34 3.895 -14.715 -2.072 276 HZ2 LYS 34 1HZ LYS 34 4.634 -15.373 -3.445 277 HZ3 LYS 34 2HZ LYS 34 3.637 -14.014 -3.590 278 H LYS 35 H LYS 35 8.111 -9.365 1.519 279 HA LYS 35 HA LYS 35 6.448 -7.018 1.366 280 HB2 LYS 35 1HB LYS 35 8.935 -7.696 2.541 281 HB3 LYS 35 2HB LYS 35 9.243 -6.381 1.414 282 HG2 LYS 35 1HG LYS 35 7.321 -5.164 2.523 283 HG3 LYS 35 2HG LYS 35 7.388 -6.406 3.775 284 HD2 LYS 35 1HD LYS 35 10.028 -5.421 3.262 285 HD3 LYS 35 2HD LYS 35 8.942 -4.063 3.566 286 HE2 LYS 35 1HE LYS 35 8.289 -4.956 5.673 287 HE3 LYS 35 2HE LYS 35 9.087 -6.492 5.340 288 HZ1 LYS 35 3HZ LYS 35 10.278 -3.904 6.070 289 HZ2 LYS 35 1HZ LYS 35 11.186 -5.012 5.168 290 HZ3 LYS 35 2HZ LYS 35 10.597 -5.445 6.693 291 H CYS 36 H CYS 36 6.940 -5.177 -0.012 292 HA CYS 36 HA CYS 36 6.940 -5.760 -2.709 293 HB2 CYS 36 1HB CYS 36 6.230 -3.598 -1.688 294 HB3 CYS 36 2HB CYS 36 7.926 -3.186 -1.465 295 HG CYS 36 HG CYS 36 7.142 -4.010 -4.612 296 H THR 37 H THR 37 8.475 -5.600 -4.368 297 HA THR 37 HA THR 37 11.280 -5.301 -3.652 298 HB THR 37 HB THR 37 11.799 -7.446 -4.969 299 HG1 THR 37 1HG THR 37 9.236 -8.262 -4.096 300 HG21 THR 37 3HG2 THR 37 12.138 -7.194 -2.541 301 HG22 THR 37 1HG2 THR 37 11.634 -8.828 -2.972 302 HG23 THR 37 2HG2 THR 37 10.472 -7.704 -2.267 303 H LYS 38 H LYS 38 9.604 -3.660 -5.197 304 HA LYS 38 HA LYS 38 11.161 -3.241 -7.474 305 HB2 LYS 38 1HB LYS 38 9.162 -5.264 -7.822 306 HB3 LYS 38 2HB LYS 38 8.739 -3.869 -8.807 307 HG2 LYS 38 1HG LYS 38 11.558 -4.630 -8.971 308 HG3 LYS 38 2HG LYS 38 10.437 -5.865 -9.548 309 HD2 LYS 38 1HD LYS 38 9.362 -3.706 -10.723 310 HD3 LYS 38 2HD LYS 38 11.045 -3.184 -10.643 311 HE2 LYS 38 1HE LYS 38 11.764 -4.820 -12.072 312 HE3 LYS 38 2HE LYS 38 10.470 -5.931 -11.624 313 HZ1 LYS 38 3HZ LYS 38 10.578 -4.342 -13.865 314 HZ2 LYS 38 1HZ LYS 38 9.430 -3.600 -12.869 315 HZ3 LYS 38 2HZ LYS 38 9.244 -5.222 -13.311 316 H ASP 39 H ASP 39 10.300 -1.519 -8.867 317 HA ASP 39 HA ASP 39 8.984 0.475 -7.317 318 HB2 ASP 39 1HB ASP 39 9.322 0.704 -10.286 319 HB3 ASP 39 2HB ASP 39 9.474 1.949 -9.048 320 H ASN 40 H ASN 40 6.877 0.439 -6.910 321 HA ASN 40 HA ASN 40 4.624 0.309 -7.183 322 HB2 ASN 40 1HB ASN 40 5.625 1.092 -9.852 323 HB3 ASN 40 2HB ASN 40 3.999 0.418 -9.820 324 HD21 ASN 40 2HD2 ASN 40 6.010 2.761 -8.078 325 HD22 ASN 40 1HD2 ASN 40 4.759 3.933 -7.863 326 H ASN 41 H ASN 41 4.950 -1.943 -6.456 327 HA ASN 41 HA ASN 41 4.817 -4.014 -8.472 328 HB2 ASN 41 1HB ASN 41 5.375 -3.865 -5.616 329 HB3 ASN 41 2HB ASN 41 4.305 -5.207 -6.016 330 HD21 ASN 41 2HD2 ASN 41 6.193 -6.428 -5.230 331 HD22 ASN 41 1HD2 ASN 41 7.432 -6.829 -6.365 332 H LYS 42 H LYS 42 2.841 -3.747 -5.542 333 HA LYS 42 HA LYS 42 0.377 -3.260 -6.763 334 HB2 LYS 42 1HB LYS 42 0.544 -5.347 -7.898 335 HB3 LYS 42 2HB LYS 42 1.086 -6.173 -6.443 336 HG2 LYS 42 1HG LYS 42 -1.006 -6.430 -5.644 337 HG3 LYS 42 2HG LYS 42 -1.562 -4.884 -6.292 338 HD2 LYS 42 1HD LYS 42 -0.937 -6.601 -8.474 339 HD3 LYS 42 2HD LYS 42 -1.963 -7.489 -7.345 340 HE2 LYS 42 1HE LYS 42 -3.498 -5.495 -7.348 341 HE3 LYS 42 2HE LYS 42 -2.534 -4.848 -8.675 342 HZ1 LYS 42 3HZ LYS 42 -3.294 -6.420 -10.119 343 HZ2 LYS 42 1HZ LYS 42 -4.657 -6.279 -9.127 344 HZ3 LYS 42 2HZ LYS 42 -3.588 -7.572 -8.915 345 H CYS 43 H CYS 43 -1.265 -3.065 -5.266 346 HA CYS 43 HA CYS 43 -1.208 -4.255 -2.692 347 HB2 CYS 43 1HB CYS 43 -0.695 -2.359 -1.316 348 HB3 CYS 43 2HB CYS 43 0.624 -2.553 -2.463 349 HG CYS 43 HG CYS 43 0.548 0.038 -2.706 350 H THR 44 H THR 44 -3.046 -3.700 -1.412 351 HA THR 44 HA THR 44 -5.044 -1.993 -2.712 352 HB THR 44 HB THR 44 -6.397 -4.246 -1.584 353 HG1 THR 44 1HG THR 44 -5.492 -5.670 -3.414 354 HG21 THR 44 3HG2 THR 44 -7.565 -4.222 -3.589 355 HG22 THR 44 1HG2 THR 44 -6.158 -3.706 -4.520 356 HG23 THR 44 2HG2 THR 44 -6.992 -2.558 -3.471 357 H VAL 45 H VAL 45 -6.883 -1.483 -1.276 358 HA VAL 45 HA VAL 45 -6.452 -1.892 1.570 359 HB VAL 45 HB VAL 45 -6.494 0.880 0.368 360 HG11 VAL 45 1HG1 VAL 45 -7.774 0.942 2.371 361 HG12 VAL 45 2HG1 VAL 45 -6.597 -0.056 3.228 362 HG13 VAL 45 3HG1 VAL 45 -6.181 1.592 2.757 363 HG21 VAL 45 3HG2 VAL 45 -4.272 1.095 1.403 364 HG22 VAL 45 1HG2 VAL 45 -4.352 -0.597 1.894 365 HG23 VAL 45 2HG2 VAL 45 -4.316 -0.178 0.182 366 H ASP 46 H ASP 46 -8.303 -1.683 2.789 367 HA ASP 46 HA ASP 46 -10.759 -0.993 1.315 368 HB2 ASP 46 1HB ASP 46 -10.108 -3.351 3.008 369 HB3 ASP 46 2HB ASP 46 -11.736 -2.693 3.134 370 H THR 47 H THR 47 -12.411 0.036 2.472 371 HA THR 47 HA THR 47 -11.465 1.646 4.682 372 HB THR 47 HB THR 47 -13.599 2.834 4.493 373 HG1 THR 47 1HG THR 47 -15.121 1.430 3.871 374 HG21 THR 47 3HG2 THR 47 -13.264 2.989 1.732 375 HG22 THR 47 1HG2 THR 47 -11.681 2.522 2.349 376 HG23 THR 47 2HG2 THR 47 -12.466 3.983 2.949 377 H TYR 48 H TYR 48 -13.185 -1.259 4.290 378 HA TYR 48 HA TYR 48 -15.025 -1.276 6.344 379 HB2 TYR 48 1HB TYR 48 -14.965 -3.159 4.914 380 HB3 TYR 48 2HB TYR 48 -13.261 -3.457 5.239 381 HD1 TYR 48 1HD TYR 48 -15.980 -2.809 7.692 382 HD2 TYR 48 2HD TYR 48 -13.260 -5.648 6.065 383 HE1 TYR 48 1HE TYR 48 -16.602 -4.407 9.456 384 HE2 TYR 48 2HE TYR 48 -13.876 -7.254 7.823 385 HH TYR 48 HH TYR 48 -16.544 -7.069 9.631 386 H ASN 49 H ASN 49 -11.626 -2.344 6.561 387 HA ASN 49 HA ASN 49 -11.466 -1.316 9.268 388 HB2 ASN 49 1HB ASN 49 -12.352 -3.744 9.310 389 HB3 ASN 49 2HB ASN 49 -10.718 -4.198 8.838 390 HD21 ASN 49 2HD2 ASN 49 -9.560 -4.838 10.490 391 HD22 ASN 49 1HD2 ASN 49 -9.621 -4.198 12.093 392 H ASN 50 H ASN 50 -10.206 -0.517 6.886 393 HA ASN 50 HA ASN 50 -8.169 -0.070 5.967 394 HB2 ASN 50 1HB ASN 50 -7.608 -0.326 8.901 395 HB3 ASN 50 2HB ASN 50 -6.276 -0.056 7.781 396 HD21 ASN 50 2HD2 ASN 50 -5.995 1.920 6.878 397 HD22 ASN 50 1HD2 ASN 50 -6.954 3.302 7.273 398 H ALA 51 H ALA 51 -8.862 -2.572 5.334 399 HA ALA 51 HA ALA 51 -6.843 -4.483 6.093 400 HB1 ALA 51 1HB ALA 51 -9.312 -4.505 4.489 401 HB2 ALA 51 2HB ALA 51 -8.061 -5.639 3.982 402 HB3 ALA 51 3HB ALA 51 -8.685 -5.694 5.630 403 H VAL 52 H VAL 52 -4.967 -3.252 5.433 404 HA VAL 52 HA VAL 52 -4.563 -2.702 2.631 405 HB VAL 52 HB VAL 52 -2.549 -2.623 4.881 406 HG11 VAL 52 1HG1 VAL 52 -1.237 -1.226 3.417 407 HG12 VAL 52 2HG1 VAL 52 -1.603 -2.744 2.595 408 HG13 VAL 52 3HG1 VAL 52 -2.495 -1.280 2.182 409 HG21 VAL 52 3HG2 VAL 52 -3.034 -0.067 4.514 410 HG22 VAL 52 1HG2 VAL 52 -4.588 -0.667 3.937 411 HG23 VAL 52 2HG2 VAL 52 -4.055 -1.035 5.577 412 H ASP 53 H ASP 53 -3.544 -3.935 1.166 413 HA ASP 53 HA ASP 53 -2.348 -6.459 2.106 414 HB2 ASP 53 1HB ASP 53 -3.692 -5.913 -0.550 415 HB3 ASP 53 2HB ASP 53 -3.009 -7.452 -0.033 416 H CYS 54 H CYS 54 -1.043 -7.334 -0.057 417 HA CYS 54 HA CYS 54 0.604 -5.221 -1.165 418 HB2 CYS 54 1HB CYS 54 1.417 -6.529 1.190 419 HB3 CYS 54 2HB CYS 54 2.381 -7.232 -0.103 420 HG CYS 54 HG CYS 54 4.109 -5.346 -0.100 421 H ASP 55 H ASP 55 2.282 -6.148 -2.674 422 HA ASP 55 HA ASP 55 1.023 -7.943 -4.470 423 HB2 ASP 55 1HB ASP 55 2.608 -6.138 -5.148 424 HB3 ASP 55 2HB ASP 55 3.921 -7.075 -4.440 Start of MODEL 3 1 H1 ALA 1 H ALA 1 -15.790 1.963 1.744 2 HA ALA 1 HA ALA 1 -15.870 2.898 -0.952 3 HB1 ALA 1 1HB ALA 1 -15.336 4.863 0.946 4 HB2 ALA 1 2HB ALA 1 -13.760 4.435 0.277 5 HB3 ALA 1 3HB ALA 1 -15.058 4.961 -0.793 6 H LYS 2 H LYS 2 -13.253 3.236 -1.537 7 HA LYS 2 HA LYS 2 -11.573 1.297 -0.265 8 HB2 LYS 2 1HB LYS 2 -13.236 0.490 -2.515 9 HB3 LYS 2 2HB LYS 2 -11.523 0.257 -2.841 10 HG2 LYS 2 1HG LYS 2 -11.304 -1.084 -0.825 11 HG3 LYS 2 2HG LYS 2 -13.011 -0.824 -0.455 12 HD2 LYS 2 1HD LYS 2 -12.386 -1.912 -3.134 13 HD3 LYS 2 2HD LYS 2 -12.102 -2.984 -1.761 14 HE2 LYS 2 1HE LYS 2 -14.515 -2.098 -1.079 15 HE3 LYS 2 2HE LYS 2 -14.642 -1.875 -2.823 16 HZ1 LYS 2 3HZ LYS 2 -13.765 -4.434 -1.622 17 HZ2 LYS 2 1HZ LYS 2 -14.307 -4.149 -3.200 18 HZ3 LYS 2 2HZ LYS 2 -15.396 -4.086 -1.907 19 H TYR 3 H TYR 3 -9.501 0.996 -1.563 20 HA TYR 3 HA TYR 3 -8.916 3.216 -3.362 21 HB2 TYR 3 1HB TYR 3 -7.136 2.721 -0.981 22 HB3 TYR 3 2HB TYR 3 -7.111 4.083 -2.096 23 HD1 TYR 3 1HD TYR 3 -8.921 5.794 -1.989 24 HD2 TYR 3 2HD TYR 3 -8.556 2.715 0.926 25 HE1 TYR 3 1HE TYR 3 -10.369 7.072 -0.466 26 HE2 TYR 3 2HE TYR 3 -10.005 3.985 2.456 27 HH TYR 3 HH TYR 3 -10.751 6.238 2.839 28 H THR 4 H THR 4 -6.816 2.992 -4.426 29 HA THR 4 HA THR 4 -5.559 0.370 -4.272 30 HB THR 4 HB THR 4 -6.457 1.342 -6.974 31 HG1 THR 4 1HG THR 4 -7.854 -0.363 -5.166 32 HG21 THR 4 3HG2 THR 4 -5.108 -1.025 -5.862 33 HG22 THR 4 1HG2 THR 4 -5.015 -0.320 -7.476 34 HG23 THR 4 2HG2 THR 4 -6.365 -1.370 -7.048 35 H GLY 5 H GLY 5 -3.501 0.268 -5.313 36 HA2 GLY 5 1HA GLY 5 -2.338 2.358 -6.780 37 HA3 GLY 5 2HA GLY 5 -1.973 2.618 -5.080 38 H LYS 6 H LYS 6 0.214 2.253 -5.230 39 HA LYS 6 HA LYS 6 0.980 -0.550 -5.498 40 HB2 LYS 6 1HB LYS 6 2.432 1.655 -6.971 41 HB3 LYS 6 2HB LYS 6 2.859 -0.051 -6.962 42 HG2 LYS 6 1HG LYS 6 1.766 0.079 -8.955 43 HG3 LYS 6 2HG LYS 6 0.414 -0.328 -7.894 44 HD2 LYS 6 1HD LYS 6 -0.621 1.567 -8.425 45 HD3 LYS 6 2HD LYS 6 0.785 2.513 -7.930 46 HE2 LYS 6 1HE LYS 6 1.747 1.786 -10.234 47 HE3 LYS 6 2HE LYS 6 0.062 1.458 -10.635 48 HZ1 LYS 6 3HZ LYS 6 0.258 3.623 -11.292 49 HZ2 LYS 6 1HZ LYS 6 1.375 4.023 -10.085 50 HZ3 LYS 6 2HZ LYS 6 -0.262 3.856 -9.698 51 H CYS 7 H CYS 7 3.459 -0.707 -4.966 52 HA CYS 7 HA CYS 7 3.878 0.902 -2.540 53 HB2 CYS 7 1HB CYS 7 4.045 -1.897 -3.041 54 HB3 CYS 7 2HB CYS 7 5.663 -1.321 -2.654 55 HG CYS 7 HG CYS 7 3.243 -0.232 -0.595 56 H THR 8 H THR 8 6.495 0.586 -2.047 57 HA THR 8 HA THR 8 7.916 1.504 -4.448 58 HB THR 8 HB THR 8 8.993 2.945 -2.269 59 HG1 THR 8 1HG THR 8 7.197 2.999 -1.069 60 HG21 THR 8 3HG2 THR 8 7.752 3.454 -4.874 61 HG22 THR 8 1HG2 THR 8 9.187 4.174 -4.143 62 HG23 THR 8 2HG2 THR 8 7.585 4.783 -3.727 63 H LYS 9 H LYS 9 9.878 0.627 -4.696 64 HA LYS 9 HA LYS 9 10.776 -1.495 -3.139 65 HB2 LYS 9 1HB LYS 9 12.989 -1.102 -4.328 66 HB3 LYS 9 2HB LYS 9 11.583 -1.349 -5.356 67 HG2 LYS 9 1HG LYS 9 11.715 0.703 -6.241 68 HG3 LYS 9 2HG LYS 9 12.123 1.453 -4.696 69 HD2 LYS 9 1HD LYS 9 14.060 1.759 -5.934 70 HD3 LYS 9 2HD LYS 9 14.418 0.292 -5.022 71 HE2 LYS 9 1HE LYS 9 14.874 -0.697 -6.962 72 HE3 LYS 9 2HE LYS 9 13.155 -0.596 -7.340 73 HZ1 LYS 9 3HZ LYS 9 13.896 0.562 -9.097 74 HZ2 LYS 9 1HZ LYS 9 15.370 0.962 -8.370 75 HZ3 LYS 9 2HZ LYS 9 13.979 1.853 -8.007 76 H SER 10 H SER 10 11.269 1.921 -2.775 77 HA SER 10 HA SER 10 13.438 1.601 -0.877 78 HB2 SER 10 1HB SER 10 12.792 4.206 -0.648 79 HB3 SER 10 2HB SER 10 13.821 3.586 -1.938 80 HG SER 10 HG SER 10 12.322 4.657 -3.045 81 H LYS 11 H LYS 11 10.022 1.735 -0.844 82 HA LYS 11 HA LYS 11 9.985 1.444 2.027 83 HB2 LYS 11 1HB LYS 11 9.803 4.003 1.179 84 HB3 LYS 11 2HB LYS 11 8.108 3.541 1.109 85 HG2 LYS 11 1HG LYS 11 7.925 3.329 3.368 86 HG3 LYS 11 2HG LYS 11 9.619 2.882 3.575 87 HD2 LYS 11 1HD LYS 11 9.216 5.597 2.554 88 HD3 LYS 11 2HD LYS 11 8.548 5.328 4.166 89 HE2 LYS 11 1HE LYS 11 10.830 4.253 4.691 90 HE3 LYS 11 2HE LYS 11 11.386 5.069 3.230 91 HZ1 LYS 11 3HZ LYS 11 11.841 6.491 5.044 92 HZ2 LYS 11 1HZ LYS 11 10.285 6.314 5.685 93 HZ3 LYS 11 2HZ LYS 11 10.513 7.166 4.242 94 H ASN 12 H ASN 12 8.647 -0.189 2.385 95 HA ASN 12 HA ASN 12 6.706 -0.986 0.415 96 HB2 ASN 12 1HB ASN 12 8.006 -2.665 1.654 97 HB3 ASN 12 2HB ASN 12 7.283 -2.116 3.163 98 HD21 ASN 12 2HD2 ASN 12 5.681 -3.311 3.861 99 HD22 ASN 12 1HD2 ASN 12 4.606 -4.253 2.889 100 H GLU 13 H GLU 13 5.729 1.313 0.842 101 HA GLU 13 HA GLU 13 3.570 0.985 2.821 102 HB2 GLU 13 1HB GLU 13 3.544 3.386 3.150 103 HB3 GLU 13 2HB GLU 13 5.159 2.766 3.461 104 HG2 GLU 13 1HG GLU 13 5.756 3.448 1.118 105 HG3 GLU 13 2HG GLU 13 4.202 4.274 1.046 106 H CYS 14 H CYS 14 1.501 1.670 2.229 107 HA CYS 14 HA CYS 14 0.954 1.502 -0.590 108 HB2 CYS 14 1HB CYS 14 -0.553 0.387 0.928 109 HB3 CYS 14 2HB CYS 14 -0.848 1.884 1.806 110 HG CYS 14 HG CYS 14 -2.533 0.643 -0.669 111 H LYS 15 H LYS 15 1.360 3.238 -1.805 112 HA LYS 15 HA LYS 15 0.809 5.908 -0.754 113 HB2 LYS 15 1HB LYS 15 1.951 6.657 -2.871 114 HB3 LYS 15 2HB LYS 15 2.955 5.723 -1.771 115 HG2 LYS 15 1HG LYS 15 3.323 4.153 -3.297 116 HG3 LYS 15 2HG LYS 15 1.607 4.029 -3.691 117 HD2 LYS 15 1HD LYS 15 2.124 6.359 -4.876 118 HD3 LYS 15 2HD LYS 15 3.743 5.659 -4.954 119 HE2 LYS 15 1HE LYS 15 2.990 4.724 -6.855 120 HE3 LYS 15 2HE LYS 15 2.235 3.560 -5.768 121 HZ1 LYS 15 3HZ LYS 15 0.704 5.969 -6.286 122 HZ2 LYS 15 1HZ LYS 15 0.193 4.358 -6.191 123 HZ3 LYS 15 2HZ LYS 15 0.902 4.937 -7.613 124 H TYR 16 H TYR 16 -1.515 5.603 -0.829 125 HA TYR 16 HA TYR 16 -2.623 5.751 -3.554 126 HB2 TYR 16 1HB TYR 16 -4.656 4.838 -2.732 127 HB3 TYR 16 2HB TYR 16 -3.370 3.855 -2.042 128 HD1 TYR 16 2HD TYR 16 -2.593 4.487 0.351 129 HD2 TYR 16 1HD TYR 16 -6.283 5.757 -1.346 130 HE1 TYR 16 2HE TYR 16 -3.480 4.902 2.606 131 HE2 TYR 16 1HE TYR 16 -7.180 6.177 0.906 132 HH TYR 16 HH TYR 16 -5.718 5.035 3.710 133 H LYS 17 H LYS 17 -5.068 6.810 -3.084 134 HA LYS 17 HA LYS 17 -4.548 9.407 -1.800 135 HB2 LYS 17 1HB LYS 17 -5.818 10.495 -3.633 136 HB3 LYS 17 2HB LYS 17 -4.325 9.747 -4.183 137 HG2 LYS 17 1HG LYS 17 -6.211 7.752 -4.494 138 HG3 LYS 17 2HG LYS 17 -7.062 9.224 -4.967 139 HD2 LYS 17 1HD LYS 17 -5.037 9.755 -6.406 140 HD3 LYS 17 2HD LYS 17 -4.516 8.095 -6.106 141 HE2 LYS 17 1HE LYS 17 -6.113 7.211 -7.441 142 HE3 LYS 17 2HE LYS 17 -7.306 8.432 -7.000 143 HZ1 LYS 17 3HZ LYS 17 -4.997 9.013 -8.763 144 HZ2 LYS 17 1HZ LYS 17 -6.378 9.958 -8.515 145 HZ3 LYS 17 2HZ LYS 17 -6.495 8.497 -9.357 146 H ASN 18 H ASN 18 -6.050 9.988 -0.374 147 HA ASN 18 HA ASN 18 -8.661 8.626 -0.476 148 HB2 ASN 18 1HB ASN 18 -8.706 8.475 1.836 149 HB3 ASN 18 2HB ASN 18 -6.990 8.254 1.509 150 HD21 ASN 18 2HD2 ASN 18 -5.732 10.366 1.458 151 HD22 ASN 18 1HD2 ASN 18 -6.085 11.490 2.722 152 H ASP 19 H ASP 19 -10.423 9.902 0.660 153 HA ASP 19 HA ASP 19 -11.703 11.776 0.896 154 HB2 ASP 19 1HB ASP 19 -9.477 12.678 1.884 155 HB3 ASP 19 2HB ASP 19 -9.321 13.521 0.346 156 H ALA 20 H ALA 20 -9.238 12.833 -1.451 157 HA ALA 20 HA ALA 20 -10.821 12.416 -3.740 158 HB1 ALA 20 1HB ALA 20 -11.830 14.423 -4.187 159 HB2 ALA 20 2HB ALA 20 -11.973 14.382 -2.429 160 HB3 ALA 20 3HB ALA 20 -10.701 15.339 -3.188 161 H GLY 21 H GLY 21 -8.163 11.949 -3.065 162 HA2 GLY 21 1HA GLY 21 -6.405 12.043 -4.754 163 HA3 GLY 21 2HA GLY 21 -6.788 13.745 -4.962 164 H LYS 22 H LYS 22 -6.862 12.720 -1.727 165 HA LYS 22 HA LYS 22 -4.553 14.326 -1.103 166 HB2 LYS 22 1HB LYS 22 -6.880 13.501 0.257 167 HB3 LYS 22 2HB LYS 22 -5.528 12.807 1.141 168 HG2 LYS 22 1HG LYS 22 -4.511 15.142 1.096 169 HG3 LYS 22 2HG LYS 22 -6.107 15.696 0.582 170 HD2 LYS 22 1HD LYS 22 -6.822 15.657 2.686 171 HD3 LYS 22 2HD LYS 22 -6.411 13.946 2.816 172 HE2 LYS 22 1HE LYS 22 -3.962 15.018 3.050 173 HE3 LYS 22 2HE LYS 22 -4.923 16.337 3.714 174 HZ1 LYS 22 3HZ LYS 22 -4.068 14.263 5.146 175 HZ2 LYS 22 1HZ LYS 22 -5.592 13.688 4.687 176 HZ3 LYS 22 2HZ LYS 22 -5.458 15.149 5.528 177 H ASP 23 H ASP 23 -2.563 13.550 -1.274 178 HA ASP 23 HA ASP 23 -1.825 10.906 -1.614 179 HB2 ASP 23 1HB ASP 23 0.469 11.644 -0.985 180 HB3 ASP 23 2HB ASP 23 -0.305 12.707 -2.156 181 H THR 24 H THR 24 -1.508 9.208 -0.316 182 HA THR 24 HA THR 24 -1.247 9.630 2.572 183 HB THR 24 HB THR 24 -3.271 7.760 1.323 184 HG1 THR 24 1HG THR 24 -3.551 10.088 2.948 185 HG21 THR 24 3HG2 THR 24 -3.885 7.193 3.625 186 HG22 THR 24 1HG2 THR 24 -2.574 8.207 4.229 187 HG23 THR 24 2HG2 THR 24 -2.208 6.759 3.289 188 H PHE 25 H PHE 25 0.220 8.328 3.488 189 HA PHE 25 HA PHE 25 1.070 5.928 2.013 190 HB2 PHE 25 1HB PHE 25 2.893 7.863 3.457 191 HB3 PHE 25 2HB PHE 25 3.394 6.388 2.637 192 HD1 PHE 25 2HD PHE 25 1.918 9.735 2.103 193 HD2 PHE 25 1HD PHE 25 3.822 6.366 0.330 194 HE1 PHE 25 2HE PHE 25 2.198 10.999 0.011 195 HE2 PHE 25 1HE PHE 25 4.106 7.625 -1.764 196 HZ PHE 25 HZ PHE 25 3.293 9.944 -1.927 197 H ILE 26 H ILE 26 1.168 4.115 3.184 198 HA ILE 26 HA ILE 26 1.595 4.209 6.051 199 HB ILE 26 HB ILE 26 -0.809 4.484 5.958 200 HG12 ILE 26 1HG1 ILE 26 -1.489 2.518 7.259 201 HG13 ILE 26 2HG1 ILE 26 -0.077 1.638 6.683 202 HG21 ILE 26 1HG2 ILE 26 -2.281 3.004 4.824 203 HG22 ILE 26 2HG2 ILE 26 -1.040 3.484 3.666 204 HG23 ILE 26 3HG2 ILE 26 -0.966 1.896 4.431 205 HD11 ILE 26 3HD1 ILE 26 0.098 4.176 8.279 206 HD12 ILE 26 1HD1 ILE 26 0.098 2.566 8.998 207 HD13 ILE 26 2HD1 ILE 26 1.393 3.041 7.899 208 H LYS 27 H LYS 27 2.912 2.604 6.580 209 HA LYS 27 HA LYS 27 3.881 0.702 4.814 210 HB2 LYS 27 1HB LYS 27 4.936 1.414 6.978 211 HB3 LYS 27 2HB LYS 27 3.771 0.399 7.818 212 HG2 LYS 27 1HG LYS 27 4.803 -1.528 7.216 213 HG3 LYS 27 2HG LYS 27 5.369 -0.875 5.677 214 HD2 LYS 27 1HD LYS 27 6.883 0.619 7.182 215 HD3 LYS 27 2HD LYS 27 6.567 -0.614 8.405 216 HE2 LYS 27 1HE LYS 27 7.231 -1.880 5.928 217 HE3 LYS 27 2HE LYS 27 8.458 -0.674 6.312 218 HZ1 LYS 27 3HZ LYS 27 9.181 -1.845 8.069 219 HZ2 LYS 27 1HZ LYS 27 8.460 -3.157 7.280 220 HZ3 LYS 27 2HZ LYS 27 7.634 -2.359 8.521 221 H CYS 28 H CYS 28 3.313 -1.323 4.228 222 HA CYS 28 HA CYS 28 0.697 -2.270 5.114 223 HB2 CYS 28 1HB CYS 28 2.415 -3.434 2.923 224 HB3 CYS 28 2HB CYS 28 0.689 -3.664 3.172 225 HG CYS 28 HG CYS 28 0.299 -1.999 1.226 226 HA PRO 29 HA PRO 29 2.227 -5.517 7.638 227 HB2 PRO 29 1HB PRO 29 0.322 -7.413 7.252 228 HB3 PRO 29 2HB PRO 29 0.040 -5.947 8.197 229 HG2 PRO 29 1HG PRO 29 -0.705 -6.546 5.361 230 HG3 PRO 29 2HG PRO 29 -1.661 -5.750 6.624 231 HD2 PRO 29 1HD PRO 29 -0.373 -4.369 4.684 232 HD3 PRO 29 2HD PRO 29 -0.606 -3.723 6.322 233 H LYS 30 H LYS 30 4.098 -5.806 6.160 234 HA LYS 30 HA LYS 30 4.106 -8.520 5.113 235 HB2 LYS 30 1HB LYS 30 4.818 -6.106 3.443 236 HB3 LYS 30 2HB LYS 30 5.256 -7.754 3.013 237 HG2 LYS 30 1HG LYS 30 2.431 -6.793 3.413 238 HG3 LYS 30 2HG LYS 30 3.240 -6.917 1.849 239 HD2 LYS 30 1HD LYS 30 3.684 -9.396 2.855 240 HD3 LYS 30 2HD LYS 30 2.117 -9.020 3.576 241 HE2 LYS 30 1HE LYS 30 2.665 -8.643 0.645 242 HE3 LYS 30 2HE LYS 30 2.115 -10.182 1.305 243 HZ1 LYS 30 3HZ LYS 30 0.346 -8.627 0.437 244 HZ2 LYS 30 1HZ LYS 30 0.658 -7.649 1.782 245 HZ3 LYS 30 2HZ LYS 30 0.102 -9.231 1.998 246 H PHE 31 H PHE 31 5.323 -8.310 7.285 247 HA PHE 31 HA PHE 31 8.103 -7.478 6.823 248 HB2 PHE 31 1HB PHE 31 8.238 -7.812 9.378 249 HB3 PHE 31 2HB PHE 31 7.345 -6.420 8.775 250 HD1 PHE 31 2HD PHE 31 4.919 -6.341 8.914 251 HD2 PHE 31 1HD PHE 31 7.119 -9.638 10.467 252 HE1 PHE 31 2HE PHE 31 2.937 -7.063 10.181 253 HE2 PHE 31 1HE PHE 31 5.141 -10.365 11.735 254 HZ PHE 31 HZ PHE 31 3.046 -9.076 11.595 255 H ASP 32 H ASP 32 9.450 -9.035 6.241 256 HA ASP 32 HA ASP 32 10.414 -11.080 5.973 257 HB2 ASP 32 1HB ASP 32 9.408 -11.757 8.729 258 HB3 ASP 32 2HB ASP 32 10.895 -12.284 7.947 259 H ASN 33 H ASN 33 8.466 -11.329 4.461 260 HA ASN 33 HA ASN 33 7.560 -13.966 4.560 261 HB2 ASN 33 1HB ASN 33 6.101 -12.474 6.329 262 HB3 ASN 33 2HB ASN 33 5.114 -12.358 4.874 263 HD21 ASN 33 2HD2 ASN 33 6.747 -14.664 6.987 264 HD22 ASN 33 1HD2 ASN 33 5.623 -15.954 6.743 265 H LYS 34 H LYS 34 7.004 -10.690 3.434 266 HA LYS 34 HA LYS 34 7.158 -11.394 0.717 267 HB2 LYS 34 1HB LYS 34 4.787 -12.213 1.538 268 HB3 LYS 34 2HB LYS 34 4.372 -10.513 1.353 269 HG2 LYS 34 1HG LYS 34 3.959 -10.961 -0.778 270 HG3 LYS 34 2HG LYS 34 5.702 -11.140 -0.994 271 HD2 LYS 34 1HD LYS 34 5.291 -13.570 -0.168 272 HD3 LYS 34 2HD LYS 34 3.611 -13.249 -0.606 273 HE2 LYS 34 1HE LYS 34 4.045 -13.407 -2.794 274 HE3 LYS 34 2HE LYS 34 5.503 -12.425 -2.662 275 HZ1 LYS 34 3HZ LYS 34 5.366 -15.287 -1.893 276 HZ2 LYS 34 1HZ LYS 34 6.752 -14.325 -2.008 277 HZ3 LYS 34 2HZ LYS 34 5.895 -14.742 -3.405 278 H LYS 35 H LYS 35 8.583 -9.551 1.761 279 HA LYS 35 HA LYS 35 7.337 -6.959 1.848 280 HB2 LYS 35 1HB LYS 35 9.834 -8.094 2.634 281 HB3 LYS 35 2HB LYS 35 10.163 -6.736 1.565 282 HG2 LYS 35 1HG LYS 35 8.267 -5.682 3.204 283 HG3 LYS 35 2HG LYS 35 9.118 -6.776 4.298 284 HD2 LYS 35 1HD LYS 35 11.235 -5.652 3.147 285 HD3 LYS 35 2HD LYS 35 10.085 -4.335 2.909 286 HE2 LYS 35 1HE LYS 35 9.555 -4.565 5.389 287 HE3 LYS 35 2HE LYS 35 10.995 -5.577 5.492 288 HZ1 LYS 35 3HZ LYS 35 10.804 -2.704 4.848 289 HZ2 LYS 35 1HZ LYS 35 12.154 -3.606 4.372 290 HZ3 LYS 35 2HZ LYS 35 11.763 -3.470 6.012 291 H CYS 36 H CYS 36 7.657 -5.247 0.392 292 HA CYS 36 HA CYS 36 7.425 -5.809 -2.297 293 HB2 CYS 36 1HB CYS 36 7.697 -3.471 -2.706 294 HB3 CYS 36 2HB CYS 36 6.890 -3.630 -1.151 295 HG CYS 36 HG CYS 36 8.561 -1.568 -0.696 296 H THR 37 H THR 37 8.843 -5.505 -4.091 297 HA THR 37 HA THR 37 11.693 -5.329 -3.608 298 HB THR 37 HB THR 37 12.056 -7.478 -4.979 299 HG1 THR 37 1HG THR 37 10.378 -8.757 -5.272 300 HG21 THR 37 3HG2 THR 37 10.937 -7.971 -2.235 301 HG22 THR 37 1HG2 THR 37 12.445 -7.089 -2.471 302 HG23 THR 37 2HG2 THR 37 12.301 -8.757 -3.027 303 H LYS 38 H LYS 38 9.912 -3.660 -5.001 304 HA LYS 38 HA LYS 38 11.279 -3.245 -7.396 305 HB2 LYS 38 1HB LYS 38 9.140 -5.195 -7.574 306 HB3 LYS 38 2HB LYS 38 8.826 -3.812 -8.615 307 HG2 LYS 38 1HG LYS 38 11.568 -4.774 -8.795 308 HG3 LYS 38 2HG LYS 38 10.370 -5.988 -9.246 309 HD2 LYS 38 1HD LYS 38 10.059 -3.232 -10.324 310 HD3 LYS 38 2HD LYS 38 11.326 -4.256 -11.004 311 HE2 LYS 38 1HE LYS 38 9.700 -5.014 -12.351 312 HE3 LYS 38 2HE LYS 38 9.209 -5.968 -10.951 313 HZ1 LYS 38 3HZ LYS 38 7.282 -4.890 -11.678 314 HZ2 LYS 38 1HZ LYS 38 8.072 -3.412 -11.912 315 HZ3 LYS 38 2HZ LYS 38 7.788 -3.980 -10.344 316 H ASP 39 H ASP 39 10.474 -1.430 -8.596 317 HA ASP 39 HA ASP 39 9.146 0.479 -6.943 318 HB2 ASP 39 1HB ASP 39 9.283 1.901 -9.068 319 HB3 ASP 39 2HB ASP 39 10.806 1.363 -8.367 320 H ASN 40 H ASN 40 7.029 0.548 -6.628 321 HA ASN 40 HA ASN 40 4.783 0.483 -6.977 322 HB2 ASN 40 1HB ASN 40 5.895 1.267 -9.601 323 HB3 ASN 40 2HB ASN 40 4.253 0.631 -9.634 324 HD21 ASN 40 2HD2 ASN 40 6.176 2.807 -7.587 325 HD22 ASN 40 1HD2 ASN 40 4.975 4.044 -7.484 326 H ASN 41 H ASN 41 5.052 -1.789 -6.266 327 HA ASN 41 HA ASN 41 4.910 -3.831 -8.313 328 HB2 ASN 41 1HB ASN 41 5.365 -3.737 -5.423 329 HB3 ASN 41 2HB ASN 41 4.333 -5.076 -5.917 330 HD21 ASN 41 2HD2 ASN 41 6.389 -6.078 -4.940 331 HD22 ASN 41 1HD2 ASN 41 7.613 -6.514 -6.080 332 H LYS 42 H LYS 42 2.882 -3.569 -5.420 333 HA LYS 42 HA LYS 42 0.456 -3.005 -6.691 334 HB2 LYS 42 1HB LYS 42 0.610 -5.090 -7.836 335 HB3 LYS 42 2HB LYS 42 1.084 -5.938 -6.370 336 HG2 LYS 42 1HG LYS 42 -1.065 -5.936 -5.516 337 HG3 LYS 42 2HG LYS 42 -1.575 -4.583 -6.529 338 HD2 LYS 42 1HD LYS 42 -1.394 -6.049 -8.513 339 HD3 LYS 42 2HD LYS 42 -0.985 -7.397 -7.448 340 HE2 LYS 42 1HE LYS 42 -3.141 -7.789 -7.091 341 HE3 LYS 42 2HE LYS 42 -3.351 -6.154 -6.468 342 HZ1 LYS 42 3HZ LYS 42 -4.768 -6.811 -8.434 343 HZ2 LYS 42 1HZ LYS 42 -3.358 -6.743 -9.367 344 HZ3 LYS 42 2HZ LYS 42 -3.919 -5.355 -8.580 345 H CYS 43 H CYS 43 -1.203 -2.763 -5.226 346 HA CYS 43 HA CYS 43 -1.178 -3.966 -2.639 347 HB2 CYS 43 1HB CYS 43 -0.733 -2.047 -1.280 348 HB3 CYS 43 2HB CYS 43 0.598 -2.196 -2.420 349 HG CYS 43 HG CYS 43 0.256 0.471 -2.330 350 H THR 44 H THR 44 -3.013 -3.302 -1.326 351 HA THR 44 HA THR 44 -5.044 -1.699 -2.676 352 HB THR 44 HB THR 44 -6.556 -3.819 -1.750 353 HG1 THR 44 1HG THR 44 -4.322 -4.872 -3.175 354 HG21 THR 44 3HG2 THR 44 -7.214 -2.842 -3.744 355 HG22 THR 44 1HG2 THR 44 -6.594 -4.398 -4.294 356 HG23 THR 44 2HG2 THR 44 -5.602 -2.947 -4.449 357 H VAL 45 H VAL 45 -6.869 -1.169 -1.280 358 HA VAL 45 HA VAL 45 -6.554 -1.687 1.563 359 HB VAL 45 HB VAL 45 -6.479 1.125 0.461 360 HG11 VAL 45 1HG1 VAL 45 -6.694 0.096 3.283 361 HG12 VAL 45 2HG1 VAL 45 -6.238 1.752 2.876 362 HG13 VAL 45 3HG1 VAL 45 -7.829 1.137 2.424 363 HG21 VAL 45 3HG2 VAL 45 -4.320 0.063 0.300 364 HG22 VAL 45 1HG2 VAL 45 -4.293 1.226 1.625 365 HG23 VAL 45 2HG2 VAL 45 -4.430 -0.498 1.969 366 H ASP 46 H ASP 46 -8.442 -1.485 2.716 367 HA ASP 46 HA ASP 46 -10.817 -0.601 1.216 368 HB2 ASP 46 1HB ASP 46 -10.308 -3.155 2.646 369 HB3 ASP 46 2HB ASP 46 -11.915 -2.453 2.810 370 H THR 47 H THR 47 -12.384 0.498 2.355 371 HA THR 47 HA THR 47 -11.508 1.797 4.758 372 HB THR 47 HB THR 47 -13.577 3.067 4.635 373 HG1 THR 47 1HG THR 47 -15.144 1.719 3.969 374 HG21 THR 47 3HG2 THR 47 -11.666 2.871 2.510 375 HG22 THR 47 1HG2 THR 47 -12.519 4.295 3.105 376 HG23 THR 47 2HG2 THR 47 -13.243 3.296 1.844 377 H TYR 48 H TYR 48 -13.093 -1.093 4.136 378 HA TYR 48 HA TYR 48 -15.063 -1.309 6.052 379 HB2 TYR 48 1HB TYR 48 -14.707 -3.088 4.474 380 HB3 TYR 48 2HB TYR 48 -13.083 -3.380 5.089 381 HD1 TYR 48 2HD TYR 48 -16.653 -3.429 6.171 382 HD2 TYR 48 1HD TYR 48 -12.747 -5.036 6.682 383 HE1 TYR 48 2HE TYR 48 -17.553 -5.103 7.732 384 HE2 TYR 48 1HE TYR 48 -13.636 -6.715 8.244 385 HH TYR 48 HH TYR 48 -17.058 -7.153 8.719 386 H ASN 49 H ASN 49 -11.649 -2.265 6.472 387 HA ASN 49 HA ASN 49 -11.718 -1.330 9.219 388 HB2 ASN 49 1HB ASN 49 -10.985 -3.446 10.176 389 HB3 ASN 49 2HB ASN 49 -12.531 -3.665 9.361 390 HD21 ASN 49 2HD2 ASN 49 -11.215 -5.880 9.844 391 HD22 ASN 49 1HD2 ASN 49 -10.471 -6.518 8.422 392 H ASN 50 H ASN 50 -10.329 -0.388 6.964 393 HA ASN 50 HA ASN 50 -8.253 0.176 6.210 394 HB2 ASN 50 1HB ASN 50 -8.340 0.696 8.858 395 HB3 ASN 50 2HB ASN 50 -6.983 -0.426 8.819 396 HD21 ASN 50 2HD2 ASN 50 -5.847 0.195 6.400 397 HD22 ASN 50 1HD2 ASN 50 -5.226 1.806 6.453 398 H ALA 51 H ALA 51 -8.858 -2.397 5.546 399 HA ALA 51 HA ALA 51 -6.735 -4.186 6.319 400 HB1 ALA 51 1HB ALA 51 -8.534 -5.478 5.865 401 HB2 ALA 51 2HB ALA 51 -9.174 -4.356 4.664 402 HB3 ALA 51 3HB ALA 51 -7.855 -5.445 4.237 403 H VAL 52 H VAL 52 -4.885 -2.974 5.675 404 HA VAL 52 HA VAL 52 -4.513 -2.339 2.878 405 HB VAL 52 HB VAL 52 -2.475 -2.227 5.104 406 HG11 VAL 52 1HG1 VAL 52 -1.715 -2.203 2.679 407 HG12 VAL 52 2HG1 VAL 52 -2.522 -0.638 2.553 408 HG13 VAL 52 3HG1 VAL 52 -1.189 -0.856 3.688 409 HG21 VAL 52 3HG2 VAL 52 -4.682 -0.397 4.346 410 HG22 VAL 52 1HG2 VAL 52 -3.963 -0.715 5.925 411 HG23 VAL 52 2HG2 VAL 52 -3.133 0.331 4.773 412 H ASP 53 H ASP 53 -3.754 -3.698 1.406 413 HA ASP 53 HA ASP 53 -2.294 -6.088 2.318 414 HB2 ASP 53 1HB ASP 53 -3.883 -5.675 -0.224 415 HB3 ASP 53 2HB ASP 53 -3.039 -7.154 0.226 416 H CYS 54 H CYS 54 -1.098 -6.961 0.095 417 HA CYS 54 HA CYS 54 0.319 -4.832 -1.245 418 HB2 CYS 54 1HB CYS 54 1.375 -5.589 1.149 419 HB3 CYS 54 2HB CYS 54 2.198 -6.695 0.057 420 HG CYS 54 HG CYS 54 2.238 -3.580 -1.093 421 H ASP 55 H ASP 55 2.253 -5.948 -2.529 422 HA ASP 55 HA ASP 55 0.985 -7.927 -4.184 423 HB2 ASP 55 1HB ASP 55 2.513 -6.009 -4.954 424 HB3 ASP 55 2HB ASP 55 3.849 -7.026 -4.422 Start of MODEL 4 1 H1 ALA 1 H ALA 1 -14.164 -0.577 2.164 2 HA ALA 1 HA ALA 1 -15.109 -0.528 -0.616 3 HB1 ALA 1 1HB ALA 1 -13.514 1.810 0.138 4 HB2 ALA 1 2HB ALA 1 -14.966 1.696 -0.858 5 HB3 ALA 1 3HB ALA 1 -15.104 1.735 0.900 6 H LYS 2 H LYS 2 -12.982 0.637 -1.832 7 HA LYS 2 HA LYS 2 -10.594 -0.807 -0.945 8 HB2 LYS 2 1HB LYS 2 -11.932 -1.081 -3.631 9 HB3 LYS 2 2HB LYS 2 -10.231 -1.461 -3.394 10 HG2 LYS 2 1HG LYS 2 -11.047 -3.528 -3.040 11 HG3 LYS 2 2HG LYS 2 -11.286 -2.909 -1.403 12 HD2 LYS 2 1HD LYS 2 -13.510 -3.036 -1.581 13 HD3 LYS 2 2HD LYS 2 -13.503 -2.261 -3.167 14 HE2 LYS 2 1HE LYS 2 -12.752 -4.481 -4.107 15 HE3 LYS 2 2HE LYS 2 -13.099 -5.176 -2.526 16 HZ1 LYS 2 3HZ LYS 2 -14.875 -4.850 -4.579 17 HZ2 LYS 2 1HZ LYS 2 -15.274 -3.608 -3.501 18 HZ3 LYS 2 2HZ LYS 2 -15.260 -5.215 -2.973 19 H TYR 3 H TYR 3 -8.625 -0.097 -2.087 20 HA TYR 3 HA TYR 3 -8.826 2.522 -3.370 21 HB2 TYR 3 1HB TYR 3 -7.433 1.943 -0.778 22 HB3 TYR 3 2HB TYR 3 -6.798 3.183 -1.853 23 HD1 TYR 3 2HD TYR 3 -9.671 2.205 0.236 24 HD2 TYR 3 1HD TYR 3 -7.908 5.290 -2.106 25 HE1 TYR 3 2HE TYR 3 -11.286 3.817 1.154 26 HE2 TYR 3 1HE TYR 3 -9.517 6.910 -1.193 27 HH TYR 3 HH TYR 3 -11.382 7.169 0.023 28 H THR 4 H THR 4 -7.350 2.836 -4.942 29 HA THR 4 HA THR 4 -5.529 0.630 -5.516 30 HB THR 4 HB THR 4 -6.086 3.036 -7.253 31 HG1 THR 4 1HG THR 4 -7.874 2.081 -7.901 32 HG21 THR 4 3HG2 THR 4 -5.089 0.270 -7.943 33 HG22 THR 4 1HG2 THR 4 -4.068 1.699 -7.781 34 HG23 THR 4 2HG2 THR 4 -5.287 1.625 -9.054 35 H GLY 5 H GLY 5 -3.421 0.726 -5.103 36 HA2 GLY 5 1HA GLY 5 -1.978 3.231 -5.285 37 HA3 GLY 5 2HA GLY 5 -2.078 2.562 -3.662 38 H LYS 6 H LYS 6 0.294 3.001 -5.252 39 HA LYS 6 HA LYS 6 1.208 0.216 -5.563 40 HB2 LYS 6 1HB LYS 6 2.588 2.537 -6.867 41 HB3 LYS 6 2HB LYS 6 2.618 0.838 -7.318 42 HG2 LYS 6 1HG LYS 6 1.259 1.608 -8.954 43 HG3 LYS 6 2HG LYS 6 0.035 1.295 -7.721 44 HD2 LYS 6 1HD LYS 6 -0.585 3.423 -7.983 45 HD3 LYS 6 2HD LYS 6 0.908 3.855 -7.146 46 HE2 LYS 6 1HE LYS 6 1.466 4.976 -8.991 47 HE3 LYS 6 2HE LYS 6 1.721 3.405 -9.749 48 HZ1 LYS 6 3HZ LYS 6 0.197 4.120 -11.198 49 HZ2 LYS 6 1HZ LYS 6 -0.384 5.331 -10.168 50 HZ3 LYS 6 2HZ LYS 6 -0.936 3.740 -10.001 51 H CYS 7 H CYS 7 3.662 0.043 -5.268 52 HA CYS 7 HA CYS 7 4.628 1.842 -3.163 53 HB2 CYS 7 1HB CYS 7 4.700 -1.179 -2.998 54 HB3 CYS 7 2HB CYS 7 5.420 -0.070 -1.837 55 HG CYS 7 HG CYS 7 2.742 1.089 -1.385 56 H THR 8 H THR 8 6.938 1.797 -2.863 57 HA THR 8 HA THR 8 8.338 1.033 -5.331 58 HB THR 8 HB THR 8 8.556 3.374 -4.933 59 HG1 THR 8 1HG THR 8 10.683 3.398 -5.168 60 HG21 THR 8 3HG2 THR 8 9.762 4.045 -2.709 61 HG22 THR 8 1HG2 THR 8 9.085 2.530 -2.113 62 HG23 THR 8 2HG2 THR 8 8.016 3.793 -2.725 63 H LYS 9 H LYS 9 10.269 -0.104 -5.272 64 HA LYS 9 HA LYS 9 10.552 -2.081 -3.325 65 HB2 LYS 9 1HB LYS 9 12.857 -2.394 -4.349 66 HB3 LYS 9 2HB LYS 9 11.493 -2.502 -5.454 67 HG2 LYS 9 1HG LYS 9 12.141 -0.709 -6.630 68 HG3 LYS 9 2HG LYS 9 12.635 0.184 -5.190 69 HD2 LYS 9 1HD LYS 9 14.672 -0.154 -6.185 70 HD3 LYS 9 2HD LYS 9 14.580 -1.590 -5.162 71 HE2 LYS 9 1HE LYS 9 14.596 -2.944 -6.930 72 HE3 LYS 9 2HE LYS 9 13.311 -2.033 -7.721 73 HZ1 LYS 9 3HZ LYS 9 15.171 -0.381 -8.271 74 HZ2 LYS 9 1HZ LYS 9 15.097 -1.820 -9.156 75 HZ3 LYS 9 2HZ LYS 9 16.229 -1.650 -7.911 76 H SER 10 H SER 10 11.737 1.167 -3.426 77 HA SER 10 HA SER 10 13.597 0.685 -1.224 78 HB2 SER 10 1HB SER 10 14.039 3.210 -1.580 79 HB3 SER 10 2HB SER 10 14.590 2.088 -2.823 80 HG SER 10 HG SER 10 13.388 4.017 -3.542 81 H LYS 11 H LYS 11 10.525 0.740 -1.159 82 HA LYS 11 HA LYS 11 10.224 1.723 1.436 83 HB2 LYS 11 1HB LYS 11 10.140 3.771 -0.546 84 HB3 LYS 11 2HB LYS 11 8.515 3.572 0.097 85 HG2 LYS 11 1HG LYS 11 11.009 4.111 1.697 86 HG3 LYS 11 2HG LYS 11 9.725 5.266 1.332 87 HD2 LYS 11 1HD LYS 11 8.716 4.625 3.211 88 HD3 LYS 11 2HD LYS 11 8.437 3.053 2.457 89 HE2 LYS 11 1HE LYS 11 10.865 2.549 3.242 90 HE3 LYS 11 2HE LYS 11 10.598 3.897 4.345 91 HZ1 LYS 11 3HZ LYS 11 8.555 2.708 5.094 92 HZ2 LYS 11 1HZ LYS 11 10.001 1.916 5.473 93 HZ3 LYS 11 2HZ LYS 11 9.052 1.371 4.184 94 H ASN 12 H ASN 12 8.908 0.086 1.963 95 HA ASN 12 HA ASN 12 6.748 -0.721 0.207 96 HB2 ASN 12 1HB ASN 12 8.005 -2.465 1.335 97 HB3 ASN 12 2HB ASN 12 7.636 -1.759 2.906 98 HD21 ASN 12 2HD2 ASN 12 6.216 -2.933 3.952 99 HD22 ASN 12 1HD2 ASN 12 4.840 -3.723 3.269 100 H GLU 13 H GLU 13 5.655 1.385 0.373 101 HA GLU 13 HA GLU 13 3.776 1.363 2.618 102 HB2 GLU 13 1HB GLU 13 3.940 3.804 2.863 103 HB3 GLU 13 2HB GLU 13 5.463 3.007 3.233 104 HG2 GLU 13 1HG GLU 13 6.087 3.525 0.796 105 HG3 GLU 13 2HG GLU 13 4.738 4.659 0.846 106 H CYS 14 H CYS 14 1.715 1.842 2.065 107 HA CYS 14 HA CYS 14 1.069 1.959 -0.724 108 HB2 CYS 14 1HB CYS 14 -0.234 0.814 1.223 109 HB3 CYS 14 2HB CYS 14 -0.929 2.411 1.470 110 HG CYS 14 HG CYS 14 -1.254 1.947 -1.674 111 H LYS 15 H LYS 15 1.452 3.816 -1.766 112 HA LYS 15 HA LYS 15 0.940 6.371 -0.471 113 HB2 LYS 15 1HB LYS 15 1.883 7.319 -2.586 114 HB3 LYS 15 2HB LYS 15 2.978 6.244 -1.728 115 HG2 LYS 15 1HG LYS 15 3.150 4.900 -3.481 116 HG3 LYS 15 2HG LYS 15 1.396 4.780 -3.639 117 HD2 LYS 15 1HD LYS 15 1.321 6.312 -5.284 118 HD3 LYS 15 2HD LYS 15 2.516 7.349 -4.503 119 HE2 LYS 15 1HE LYS 15 3.244 4.778 -5.886 120 HE3 LYS 15 2HE LYS 15 3.178 6.326 -6.728 121 HZ1 LYS 15 3HZ LYS 15 4.697 6.964 -4.642 122 HZ2 LYS 15 1HZ LYS 15 5.325 6.408 -6.112 123 HZ3 LYS 15 2HZ LYS 15 5.127 5.337 -4.818 124 H TYR 16 H TYR 16 -1.416 5.162 -0.638 125 HA TYR 16 HA TYR 16 -2.767 5.841 -3.109 126 HB2 TYR 16 1HB TYR 16 -4.676 4.762 -2.193 127 HB3 TYR 16 2HB TYR 16 -3.290 3.793 -1.707 128 HD1 TYR 16 2HD TYR 16 -2.475 3.897 0.638 129 HD2 TYR 16 1HD TYR 16 -6.056 5.846 -0.579 130 HE1 TYR 16 2HE TYR 16 -3.169 4.079 2.991 131 HE2 TYR 16 1HE TYR 16 -6.759 6.035 1.771 132 HH TYR 16 HH TYR 16 -6.092 5.830 3.915 133 H LYS 17 H LYS 17 -5.080 6.880 -2.650 134 HA LYS 17 HA LYS 17 -4.664 9.282 -0.998 135 HB2 LYS 17 1HB LYS 17 -5.880 10.583 -2.715 136 HB3 LYS 17 2HB LYS 17 -4.371 9.910 -3.320 137 HG2 LYS 17 1HG LYS 17 -5.842 7.979 -4.189 138 HG3 LYS 17 2HG LYS 17 -7.181 9.105 -3.950 139 HD2 LYS 17 1HD LYS 17 -6.653 9.624 -6.107 140 HD3 LYS 17 2HD LYS 17 -5.552 10.727 -5.278 141 HE2 LYS 17 1HE LYS 17 -4.191 9.707 -6.861 142 HE3 LYS 17 2HE LYS 17 -3.867 8.780 -5.396 143 HZ1 LYS 17 3HZ LYS 17 -5.612 7.188 -6.226 144 HZ2 LYS 17 1HZ LYS 17 -4.169 7.221 -7.108 145 HZ3 LYS 17 2HZ LYS 17 -5.544 8.000 -7.708 146 H ASN 18 H ASN 18 -6.322 9.879 0.287 147 HA ASN 18 HA ASN 18 -8.850 8.388 0.009 148 HB2 ASN 18 1HB ASN 18 -8.981 8.050 2.291 149 HB3 ASN 18 2HB ASN 18 -7.239 7.956 2.046 150 HD21 ASN 18 2HD2 ASN 18 -6.163 10.204 2.149 151 HD22 ASN 18 1HD2 ASN 18 -6.632 11.181 3.493 152 H ASP 19 H ASP 19 -10.619 9.570 1.407 153 HA ASP 19 HA ASP 19 -11.939 11.400 1.748 154 HB2 ASP 19 1HB ASP 19 -9.678 12.371 2.574 155 HB3 ASP 19 2HB ASP 19 -9.659 13.221 1.032 156 H ALA 20 H ALA 20 -9.692 12.547 -0.770 157 HA ALA 20 HA ALA 20 -11.396 12.074 -2.949 158 HB1 ALA 20 1HB ALA 20 -12.495 14.026 -1.476 159 HB2 ALA 20 2HB ALA 20 -11.433 14.993 -2.500 160 HB3 ALA 20 3HB ALA 20 -12.644 13.939 -3.232 161 H GLY 21 H GLY 21 -8.653 11.821 -2.389 162 HA2 GLY 21 1HA GLY 21 -7.015 12.025 -4.196 163 HA3 GLY 21 2HA GLY 21 -7.534 13.693 -4.380 164 H LYS 22 H LYS 22 -7.337 12.674 -1.148 165 HA LYS 22 HA LYS 22 -5.097 14.432 -0.678 166 HB2 LYS 22 1HB LYS 22 -6.951 12.863 1.092 167 HB3 LYS 22 2HB LYS 22 -5.505 13.621 1.748 168 HG2 LYS 22 1HG LYS 22 -7.205 15.364 0.100 169 HG3 LYS 22 2HG LYS 22 -7.917 14.812 1.618 170 HD2 LYS 22 1HD LYS 22 -6.072 15.704 2.872 171 HD3 LYS 22 2HD LYS 22 -5.197 16.095 1.390 172 HE2 LYS 22 1HE LYS 22 -7.689 17.344 1.148 173 HE3 LYS 22 2HE LYS 22 -7.178 17.629 2.812 174 HZ1 LYS 22 3HZ LYS 22 -6.419 19.141 0.763 175 HZ2 LYS 22 1HZ LYS 22 -5.145 18.027 0.777 176 HZ3 LYS 22 2HZ LYS 22 -5.487 18.939 2.160 177 H ASP 23 H ASP 23 -3.067 13.776 -0.855 178 HA ASP 23 HA ASP 23 -2.186 11.191 -1.249 179 HB2 ASP 23 1HB ASP 23 -0.928 13.762 -0.554 180 HB3 ASP 23 2HB ASP 23 0.001 12.341 -0.086 181 H THR 24 H THR 24 -1.891 9.471 0.008 182 HA THR 24 HA THR 24 -1.580 9.844 2.902 183 HB THR 24 HB THR 24 -3.517 7.908 1.620 184 HG1 THR 24 1HG THR 24 -4.034 10.022 3.456 185 HG21 THR 24 3HG2 THR 24 -2.822 8.315 4.532 186 HG22 THR 24 1HG2 THR 24 -2.391 6.912 3.555 187 HG23 THR 24 2HG2 THR 24 -4.085 7.253 3.912 188 H PHE 25 H PHE 25 -0.075 8.564 3.803 189 HA PHE 25 HA PHE 25 0.908 6.270 2.244 190 HB2 PHE 25 1HB PHE 25 2.605 8.251 3.778 191 HB3 PHE 25 2HB PHE 25 3.201 6.817 2.948 192 HD1 PHE 25 2HD PHE 25 1.534 10.078 2.416 193 HD2 PHE 25 1HD PHE 25 3.718 6.871 0.667 194 HE1 PHE 25 2HE PHE 25 1.799 11.389 0.352 195 HE2 PHE 25 1HE PHE 25 3.988 8.177 -1.400 196 HZ PHE 25 HZ PHE 25 3.027 10.439 -1.561 197 H ILE 26 H ILE 26 1.780 4.534 3.452 198 HA ILE 26 HA ILE 26 1.963 4.498 6.266 199 HB ILE 26 HB ILE 26 -0.449 4.654 6.257 200 HG12 ILE 26 1HG1 ILE 26 -1.003 2.593 7.476 201 HG13 ILE 26 2HG1 ILE 26 0.438 1.817 6.828 202 HG21 ILE 26 1HG2 ILE 26 -1.886 3.157 5.096 203 HG22 ILE 26 2HG2 ILE 26 -0.706 3.752 3.929 204 HG23 ILE 26 3HG2 ILE 26 -0.533 2.135 4.611 205 HD11 ILE 26 3HD1 ILE 26 1.669 2.629 8.472 206 HD12 ILE 26 1HD1 ILE 26 1.147 4.275 8.116 207 HD13 ILE 26 2HD1 ILE 26 0.195 3.262 9.204 208 H LYS 27 H LYS 27 3.412 2.975 6.663 209 HA LYS 27 HA LYS 27 4.276 1.106 4.755 210 HB2 LYS 27 1HB LYS 27 5.543 0.091 6.659 211 HB3 LYS 27 2HB LYS 27 5.784 1.824 6.475 212 HG2 LYS 27 1HG LYS 27 5.258 2.071 8.609 213 HG3 LYS 27 2HG LYS 27 3.619 1.534 8.230 214 HD2 LYS 27 1HD LYS 27 4.850 -0.847 8.370 215 HD3 LYS 27 2HD LYS 27 5.859 0.070 9.491 216 HE2 LYS 27 1HE LYS 27 3.422 0.837 10.328 217 HE3 LYS 27 2HE LYS 27 3.036 -0.772 9.719 218 HZ1 LYS 27 3HZ LYS 27 3.845 -1.600 11.590 219 HZ2 LYS 27 1HZ LYS 27 4.308 -0.064 12.127 220 HZ3 LYS 27 2HZ LYS 27 5.375 -0.995 11.202 221 H CYS 28 H CYS 28 3.232 -0.628 4.054 222 HA CYS 28 HA CYS 28 1.018 -1.773 5.415 223 HB2 CYS 28 1HB CYS 28 2.589 -3.041 3.169 224 HB3 CYS 28 2HB CYS 28 0.907 -3.331 3.599 225 HG CYS 28 HG CYS 28 2.220 -1.001 1.626 226 HA PRO 29 HA PRO 29 2.891 -4.753 8.034 227 HB2 PRO 29 1HB PRO 29 1.046 -6.744 7.962 228 HB3 PRO 29 2HB PRO 29 0.779 -5.217 8.811 229 HG2 PRO 29 1HG PRO 29 -0.172 -6.069 6.104 230 HG3 PRO 29 2HG PRO 29 -1.054 -5.211 7.381 231 HD2 PRO 29 1HD PRO 29 0.007 -3.942 5.237 232 HD3 PRO 29 2HD PRO 29 -0.117 -3.177 6.834 233 H LYS 30 H LYS 30 4.628 -5.067 6.384 234 HA LYS 30 HA LYS 30 4.642 -7.858 5.525 235 HB2 LYS 30 1HB LYS 30 5.335 -5.557 3.687 236 HB3 LYS 30 2HB LYS 30 5.572 -7.259 3.316 237 HG2 LYS 30 1HG LYS 30 2.891 -6.033 3.913 238 HG3 LYS 30 2HG LYS 30 3.547 -6.239 2.287 239 HD2 LYS 30 1HD LYS 30 3.238 -8.491 2.304 240 HD3 LYS 30 2HD LYS 30 3.537 -8.628 4.038 241 HE2 LYS 30 1HE LYS 30 1.242 -7.248 4.094 242 HE3 LYS 30 2HE LYS 30 1.020 -8.104 2.570 243 HZ1 LYS 30 3HZ LYS 30 0.165 -9.613 4.026 244 HZ2 LYS 30 1HZ LYS 30 1.196 -9.169 5.292 245 HZ3 LYS 30 2HZ LYS 30 1.776 -10.127 4.026 246 H PHE 31 H PHE 31 5.988 -7.626 7.573 247 HA PHE 31 HA PHE 31 8.698 -6.661 6.990 248 HB2 PHE 31 1HB PHE 31 8.958 -7.164 9.535 249 HB3 PHE 31 2HB PHE 31 8.068 -5.732 9.027 250 HD1 PHE 31 1HD PHE 31 5.665 -5.603 9.280 251 HD2 PHE 31 2HD PHE 31 7.828 -9.049 10.531 252 HE1 PHE 31 1HE PHE 31 3.710 -6.358 10.568 253 HE2 PHE 31 2HE PHE 31 5.876 -9.810 11.820 254 HZ PHE 31 HZ PHE 31 3.814 -8.465 11.840 255 H ASP 32 H ASP 32 9.987 -8.153 6.143 256 HA ASP 32 HA ASP 32 10.994 -10.147 5.692 257 HB2 ASP 32 1HB ASP 32 10.475 -10.978 8.528 258 HB3 ASP 32 2HB ASP 32 11.902 -11.252 7.535 259 H ASN 33 H ASN 33 8.916 -10.549 4.458 260 HA ASN 33 HA ASN 33 8.145 -13.223 4.748 261 HB2 ASN 33 1HB ASN 33 6.851 -12.591 6.661 262 HB3 ASN 33 2HB ASN 33 6.168 -11.204 5.816 263 HD21 ASN 33 2HD2 ASN 33 6.546 -14.651 5.056 264 HD22 ASN 33 1HD2 ASN 33 4.885 -14.919 4.660 265 H LYS 34 H LYS 34 6.930 -10.051 3.706 266 HA LYS 34 HA LYS 34 6.896 -10.914 0.959 267 HB2 LYS 34 1HB LYS 34 4.375 -10.564 2.527 268 HB3 LYS 34 2HB LYS 34 4.399 -10.065 0.840 269 HG2 LYS 34 1HG LYS 34 3.900 -12.163 0.327 270 HG3 LYS 34 2HG LYS 34 5.544 -12.587 0.812 271 HD2 LYS 34 1HD LYS 34 4.873 -13.477 2.793 272 HD3 LYS 34 2HD LYS 34 3.533 -12.343 2.971 273 HE2 LYS 34 1HE LYS 34 3.004 -13.963 0.706 274 HE3 LYS 34 2HE LYS 34 3.489 -15.028 2.024 275 HZ1 LYS 34 3HZ LYS 34 1.722 -14.370 3.322 276 HZ2 LYS 34 1HZ LYS 34 1.025 -14.364 1.780 277 HZ3 LYS 34 2HZ LYS 34 1.501 -12.909 2.499 278 H LYS 35 H LYS 35 8.504 -9.052 1.727 279 HA LYS 35 HA LYS 35 7.335 -6.422 1.765 280 HB2 LYS 35 1HB LYS 35 10.244 -7.079 1.329 281 HB3 LYS 35 2HB LYS 35 9.555 -5.602 1.989 282 HG2 LYS 35 1HG LYS 35 9.881 -6.424 4.016 283 HG3 LYS 35 2HG LYS 35 8.676 -7.664 3.665 284 HD2 LYS 35 1HD LYS 35 10.341 -9.123 4.006 285 HD3 LYS 35 2HD LYS 35 10.905 -8.639 2.406 286 HE2 LYS 35 1HE LYS 35 12.374 -6.987 3.383 287 HE3 LYS 35 2HE LYS 35 11.744 -7.335 4.993 288 HZ1 LYS 35 3HZ LYS 35 13.209 -8.963 5.206 289 HZ2 LYS 35 1HZ LYS 35 13.879 -8.557 3.707 290 HZ3 LYS 35 2HZ LYS 35 12.655 -9.719 3.799 291 H CYS 36 H CYS 36 7.683 -4.786 0.180 292 HA CYS 36 HA CYS 36 7.069 -5.483 -2.419 293 HB2 CYS 36 1HB CYS 36 6.721 -3.231 -1.632 294 HB3 CYS 36 2HB CYS 36 8.446 -3.004 -1.375 295 HG CYS 36 HG CYS 36 6.914 -1.901 -3.832 296 H THR 37 H THR 37 8.185 -5.989 -4.228 297 HA THR 37 HA THR 37 11.115 -5.866 -4.159 298 HB THR 37 HB THR 37 11.357 -8.109 -5.023 299 HG1 THR 37 1HG THR 37 8.577 -8.536 -4.667 300 HG21 THR 37 3HG2 THR 37 9.541 -8.836 -2.859 301 HG22 THR 37 1HG2 THR 37 10.615 -7.502 -2.441 302 HG23 THR 37 2HG2 THR 37 11.288 -9.040 -2.985 303 H LYS 38 H LYS 38 9.555 -4.061 -5.494 304 HA LYS 38 HA LYS 38 10.550 -4.207 -8.114 305 HB2 LYS 38 1HB LYS 38 8.311 -5.784 -7.850 306 HB3 LYS 38 2HB LYS 38 7.636 -4.269 -8.433 307 HG2 LYS 38 1HG LYS 38 10.024 -5.223 -9.862 308 HG3 LYS 38 2HG LYS 38 8.577 -6.222 -10.028 309 HD2 LYS 38 1HD LYS 38 7.888 -3.446 -10.285 310 HD3 LYS 38 2HD LYS 38 9.198 -3.847 -11.399 311 HE2 LYS 38 1HE LYS 38 7.519 -4.520 -12.737 312 HE3 LYS 38 2HE LYS 38 7.577 -5.980 -11.751 313 HZ1 LYS 38 3HZ LYS 38 5.817 -3.663 -11.166 314 HZ2 LYS 38 1HZ LYS 38 5.791 -5.182 -10.420 315 HZ3 LYS 38 2HZ LYS 38 5.320 -5.025 -12.037 316 H ASP 39 H ASP 39 9.920 -2.360 -9.427 317 HA ASP 39 HA ASP 39 9.472 -0.034 -7.800 318 HB2 ASP 39 1HB ASP 39 10.156 -0.539 -10.666 319 HB3 ASP 39 2HB ASP 39 9.517 1.040 -10.216 320 H ASN 40 H ASN 40 7.553 0.760 -7.290 321 HA ASN 40 HA ASN 40 5.336 1.265 -7.321 322 HB2 ASN 40 1HB ASN 40 6.055 1.280 -10.227 323 HB3 ASN 40 2HB ASN 40 4.362 1.430 -9.763 324 HD21 ASN 40 2HD2 ASN 40 7.284 2.670 -8.206 325 HD22 ASN 40 1HD2 ASN 40 6.838 4.336 -8.301 326 H ASN 41 H ASN 41 5.614 -1.208 -6.556 327 HA ASN 41 HA ASN 41 4.535 -3.252 -8.142 328 HB2 ASN 41 1HB ASN 41 5.537 -3.014 -5.536 329 HB3 ASN 41 2HB ASN 41 3.888 -3.603 -5.343 330 HD21 ASN 41 2HD2 ASN 41 6.603 -4.845 -5.016 331 HD22 ASN 41 1HD2 ASN 41 6.520 -6.307 -5.933 332 H LYS 42 H LYS 42 2.473 -4.397 -6.732 333 HA LYS 42 HA LYS 42 0.284 -2.474 -7.168 334 HB2 LYS 42 1HB LYS 42 0.679 -4.805 -8.503 335 HB3 LYS 42 2HB LYS 42 -0.343 -5.360 -7.184 336 HG2 LYS 42 1HG LYS 42 -2.138 -4.064 -7.853 337 HG3 LYS 42 2HG LYS 42 -1.123 -2.960 -8.784 338 HD2 LYS 42 1HD LYS 42 -2.089 -4.186 -10.470 339 HD3 LYS 42 2HD LYS 42 -0.612 -5.113 -10.192 340 HE2 LYS 42 1HE LYS 42 -1.732 -6.830 -9.133 341 HE3 LYS 42 2HE LYS 42 -3.085 -5.799 -8.668 342 HZ1 LYS 42 3HZ LYS 42 -4.162 -6.583 -10.419 343 HZ2 LYS 42 1HZ LYS 42 -2.799 -7.427 -10.964 344 HZ3 LYS 42 2HZ LYS 42 -3.043 -5.819 -11.430 345 H CYS 43 H CYS 43 -0.565 -1.787 -5.323 346 HA CYS 43 HA CYS 43 -0.778 -3.689 -3.083 347 HB2 CYS 43 1HB CYS 43 0.574 -1.293 -3.093 348 HB3 CYS 43 2HB CYS 43 -0.981 -0.842 -2.403 349 HG CYS 43 HG CYS 43 -0.395 -1.604 -0.033 350 H THR 44 H THR 44 -2.477 -2.349 -1.442 351 HA THR 44 HA THR 44 -4.758 -1.231 -2.635 352 HB THR 44 HB THR 44 -6.054 -3.561 -1.888 353 HG1 THR 44 1HG THR 44 -3.802 -4.481 -2.090 354 HG21 THR 44 3HG2 THR 44 -6.141 -1.876 -3.963 355 HG22 THR 44 1HG2 THR 44 -6.925 -3.455 -3.989 356 HG23 THR 44 2HG2 THR 44 -5.349 -3.240 -4.751 357 H VAL 45 H VAL 45 -6.511 -0.920 -1.128 358 HA VAL 45 HA VAL 45 -6.089 -1.760 1.622 359 HB VAL 45 HB VAL 45 -6.150 1.165 0.864 360 HG11 VAL 45 1HG1 VAL 45 -6.565 -0.269 3.431 361 HG12 VAL 45 2HG1 VAL 45 -5.639 1.233 3.465 362 HG13 VAL 45 3HG1 VAL 45 -7.287 1.226 2.838 363 HG21 VAL 45 3HG2 VAL 45 -3.990 -0.514 2.139 364 HG22 VAL 45 1HG2 VAL 45 -3.965 0.164 0.512 365 HG23 VAL 45 2HG2 VAL 45 -3.925 1.233 1.913 366 H ASP 46 H ASP 46 -7.944 -1.742 2.855 367 HA ASP 46 HA ASP 46 -10.408 -0.952 1.443 368 HB2 ASP 46 1HB ASP 46 -9.751 -3.340 3.120 369 HB3 ASP 46 2HB ASP 46 -11.406 -2.739 3.104 370 H THR 47 H THR 47 -11.708 0.474 2.406 371 HA THR 47 HA THR 47 -10.898 1.728 4.842 372 HB THR 47 HB THR 47 -13.437 2.669 4.392 373 HG1 THR 47 1HG THR 47 -13.661 2.826 2.145 374 HG21 THR 47 3HG2 THR 47 -10.794 3.551 3.239 375 HG22 THR 47 1HG2 THR 47 -11.570 4.118 4.716 376 HG23 THR 47 2HG2 THR 47 -12.266 4.518 3.146 377 H TYR 48 H TYR 48 -12.939 -0.906 4.075 378 HA TYR 48 HA TYR 48 -14.894 -0.846 6.018 379 HB2 TYR 48 1HB TYR 48 -14.603 -2.572 4.200 380 HB3 TYR 48 2HB TYR 48 -13.386 -3.337 5.213 381 HD1 TYR 48 1HD TYR 48 -14.178 -3.911 7.659 382 HD2 TYR 48 2HD TYR 48 -16.797 -3.285 4.365 383 HE1 TYR 48 1HE TYR 48 -15.936 -5.176 8.824 384 HE2 TYR 48 2HE TYR 48 -18.563 -4.547 5.522 385 HH TYR 48 HH TYR 48 -19.103 -5.077 8.036 386 H ASN 49 H ASN 49 -11.664 -2.329 6.308 387 HA ASN 49 HA ASN 49 -11.583 -1.614 9.119 388 HB2 ASN 49 1HB ASN 49 -11.061 -3.925 9.844 389 HB3 ASN 49 2HB ASN 49 -12.699 -3.775 9.213 390 HD21 ASN 49 2HD2 ASN 49 -9.890 -5.538 9.110 391 HD22 ASN 49 1HD2 ASN 49 -10.174 -6.416 7.649 392 H ASN 50 H ASN 50 -10.091 -0.709 6.915 393 HA ASN 50 HA ASN 50 -7.961 -0.392 6.164 394 HB2 ASN 50 1HB ASN 50 -7.941 0.024 8.795 395 HB3 ASN 50 2HB ASN 50 -6.848 -1.356 8.755 396 HD21 ASN 50 2HD2 ASN 50 -7.385 1.561 6.801 397 HD22 ASN 50 1HD2 ASN 50 -5.726 2.040 6.757 398 H ALA 51 H ALA 51 -8.784 -2.659 5.132 399 HA ALA 51 HA ALA 51 -6.940 -4.814 5.797 400 HB1 ALA 51 1HB ALA 51 -9.536 -4.650 4.621 401 HB2 ALA 51 2HB ALA 51 -8.448 -5.480 3.510 402 HB3 ALA 51 3HB ALA 51 -8.648 -6.076 5.158 403 H VAL 52 H VAL 52 -4.954 -3.954 5.135 404 HA VAL 52 HA VAL 52 -4.594 -3.038 2.419 405 HB VAL 52 HB VAL 52 -2.453 -3.630 4.461 406 HG11 VAL 52 1HG1 VAL 52 -1.820 -1.464 2.754 407 HG12 VAL 52 2HG1 VAL 52 -1.044 -3.046 2.848 408 HG13 VAL 52 3HG1 VAL 52 -2.392 -2.789 1.740 409 HG21 VAL 52 3HG2 VAL 52 -3.662 -2.051 5.608 410 HG22 VAL 52 1HG2 VAL 52 -2.609 -1.014 4.646 411 HG23 VAL 52 2HG2 VAL 52 -4.275 -1.292 4.139 412 H ASP 53 H ASP 53 -3.579 -4.099 0.765 413 HA ASP 53 HA ASP 53 -2.783 -6.891 1.254 414 HB2 ASP 53 1HB ASP 53 -4.642 -5.779 -0.809 415 HB3 ASP 53 2HB ASP 53 -3.654 -7.180 -1.216 416 H CYS 54 H CYS 54 -0.934 -7.560 0.292 417 HA CYS 54 HA CYS 54 0.613 -5.520 -1.122 418 HB2 CYS 54 1HB CYS 54 2.563 -6.758 -0.540 419 HB3 CYS 54 2HB CYS 54 1.546 -6.727 0.895 420 HG CYS 54 HG CYS 54 2.826 -9.302 -0.625 421 H ASP 55 H ASP 55 1.857 -6.092 -3.013 422 HA ASP 55 HA ASP 55 0.386 -7.235 -5.051 423 HB2 ASP 55 1HB ASP 55 2.380 -5.745 -5.328 424 HB3 ASP 55 2HB ASP 55 3.406 -7.122 -4.934 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -14.992 -0.488 1.515 2 HA ALA 1 HA ALA 1 -15.651 0.461 -1.010 3 HB1 ALA 1 1HB ALA 1 -13.859 2.540 0.031 4 HB2 ALA 1 2HB ALA 1 -15.210 2.662 -1.098 5 HB3 ALA 1 3HB ALA 1 -15.513 2.609 0.639 6 H LYS 2 H LYS 2 -13.329 1.442 -2.013 7 HA LYS 2 HA LYS 2 -11.161 -0.278 -1.075 8 HB2 LYS 2 1HB LYS 2 -12.178 -0.295 -3.923 9 HB3 LYS 2 2HB LYS 2 -10.738 -1.125 -3.349 10 HG2 LYS 2 1HG LYS 2 -12.254 -2.389 -1.771 11 HG3 LYS 2 2HG LYS 2 -13.606 -1.717 -2.686 12 HD2 LYS 2 1HD LYS 2 -13.197 -3.829 -3.642 13 HD3 LYS 2 2HD LYS 2 -12.473 -2.668 -4.757 14 HE2 LYS 2 1HE LYS 2 -10.381 -3.401 -4.358 15 HE3 LYS 2 2HE LYS 2 -10.684 -3.640 -2.638 16 HZ1 LYS 2 3HZ LYS 2 -12.156 -5.517 -4.155 17 HZ2 LYS 2 1HZ LYS 2 -10.968 -5.796 -2.984 18 HZ3 LYS 2 2HZ LYS 2 -10.526 -5.582 -4.602 19 H TYR 3 H TYR 3 -9.093 0.211 -2.242 20 HA TYR 3 HA TYR 3 -8.959 2.836 -3.485 21 HB2 TYR 3 1HB TYR 3 -7.769 2.188 -0.802 22 HB3 TYR 3 2HB TYR 3 -7.028 3.398 -1.844 23 HD1 TYR 3 2HD TYR 3 -9.997 2.563 0.154 24 HD2 TYR 3 1HD TYR 3 -8.073 5.537 -2.202 25 HE1 TYR 3 2HE TYR 3 -11.584 4.245 0.993 26 HE2 TYR 3 1HE TYR 3 -9.653 7.229 -1.369 27 HH TYR 3 HH TYR 3 -11.801 6.601 1.252 28 H THR 4 H THR 4 -7.084 3.179 -4.687 29 HA THR 4 HA THR 4 -5.531 0.742 -5.208 30 HB THR 4 HB THR 4 -4.795 2.188 -7.269 31 HG1 THR 4 1HG THR 4 -5.783 4.053 -7.320 32 HG21 THR 4 3HG2 THR 4 -6.989 1.475 -8.426 33 HG22 THR 4 1HG2 THR 4 -7.419 0.789 -6.860 34 HG23 THR 4 2HG2 THR 4 -5.978 0.222 -7.707 35 H GLY 5 H GLY 5 -3.292 0.742 -5.233 36 HA2 GLY 5 1HA GLY 5 -1.690 3.060 -4.961 37 HA3 GLY 5 2HA GLY 5 -1.959 2.341 -3.381 38 H LYS 6 H LYS 6 0.386 2.599 -5.391 39 HA LYS 6 HA LYS 6 1.125 -0.239 -5.521 40 HB2 LYS 6 1HB LYS 6 2.772 1.927 -6.758 41 HB3 LYS 6 2HB LYS 6 2.551 0.262 -7.276 42 HG2 LYS 6 1HG LYS 6 1.323 1.293 -8.874 43 HG3 LYS 6 2HG LYS 6 0.064 1.109 -7.651 44 HD2 LYS 6 1HD LYS 6 -0.238 3.314 -7.806 45 HD3 LYS 6 2HD LYS 6 1.313 3.491 -6.979 46 HE2 LYS 6 1HE LYS 6 2.395 4.107 -8.863 47 HE3 LYS 6 2HE LYS 6 1.458 3.017 -9.884 48 HZ1 LYS 6 3HZ LYS 6 -0.204 4.560 -10.158 49 HZ2 LYS 6 1HZ LYS 6 1.155 5.565 -10.102 50 HZ3 LYS 6 2HZ LYS 6 0.170 5.400 -8.738 51 H CYS 7 H CYS 7 3.609 -0.549 -5.264 52 HA CYS 7 HA CYS 7 4.531 0.993 -2.932 53 HB2 CYS 7 1HB CYS 7 4.872 -1.985 -3.337 54 HB3 CYS 7 2HB CYS 7 5.444 -1.052 -1.960 55 HG CYS 7 HG CYS 7 2.668 -2.632 -2.218 56 H THR 8 H THR 8 6.829 1.104 -2.653 57 HA THR 8 HA THR 8 8.275 0.828 -5.201 58 HB THR 8 HB THR 8 9.637 2.647 -4.620 59 HG1 THR 8 1HG THR 8 9.769 3.454 -2.506 60 HG21 THR 8 3HG2 THR 8 7.215 3.676 -3.250 61 HG22 THR 8 1HG2 THR 8 7.012 3.038 -4.880 62 HG23 THR 8 2HG2 THR 8 8.136 4.364 -4.586 63 H LYS 9 H LYS 9 10.308 -0.106 -5.264 64 HA LYS 9 HA LYS 9 10.818 -2.245 -3.554 65 HB2 LYS 9 1HB LYS 9 12.765 -0.755 -5.325 66 HB3 LYS 9 2HB LYS 9 13.038 -2.348 -4.628 67 HG2 LYS 9 1HG LYS 9 10.701 -2.781 -5.890 68 HG3 LYS 9 2HG LYS 9 11.401 -1.542 -6.936 69 HD2 LYS 9 1HD LYS 9 13.439 -3.417 -6.289 70 HD3 LYS 9 2HD LYS 9 12.013 -4.314 -6.817 71 HE2 LYS 9 1HE LYS 9 12.177 -3.572 -8.937 72 HE3 LYS 9 2HE LYS 9 12.668 -1.953 -8.440 73 HZ1 LYS 9 3HZ LYS 9 14.276 -3.994 -9.442 74 HZ2 LYS 9 1HZ LYS 9 14.725 -3.769 -7.826 75 HZ3 LYS 9 2HZ LYS 9 14.757 -2.465 -8.902 76 H SER 10 H SER 10 11.667 1.101 -3.285 77 HA SER 10 HA SER 10 13.506 0.539 -1.071 78 HB2 SER 10 1HB SER 10 14.305 2.773 -1.303 79 HB3 SER 10 2HB SER 10 14.140 2.141 -2.942 80 HG SER 10 HG SER 10 13.212 4.155 -2.913 81 H LYS 11 H LYS 11 10.442 0.453 -1.133 82 HA LYS 11 HA LYS 11 9.990 1.264 1.501 83 HB2 LYS 11 1HB LYS 11 9.754 3.386 -0.454 84 HB3 LYS 11 2HB LYS 11 8.217 3.102 0.351 85 HG2 LYS 11 1HG LYS 11 9.862 3.109 2.479 86 HG3 LYS 11 2HG LYS 11 10.733 4.206 1.404 87 HD2 LYS 11 1HD LYS 11 9.024 5.756 1.386 88 HD3 LYS 11 2HD LYS 11 7.792 4.557 1.783 89 HE2 LYS 11 1HE LYS 11 8.086 5.929 3.704 90 HE3 LYS 11 2HE LYS 11 8.839 4.374 4.054 91 HZ1 LYS 11 3HZ LYS 11 10.193 6.293 4.745 92 HZ2 LYS 11 1HZ LYS 11 10.311 6.781 3.130 93 HZ3 LYS 11 2HZ LYS 11 10.987 5.310 3.620 94 H ASN 12 H ASN 12 8.681 -0.390 1.946 95 HA ASN 12 HA ASN 12 6.655 -1.227 0.037 96 HB2 ASN 12 1HB ASN 12 7.910 -2.997 1.079 97 HB3 ASN 12 2HB ASN 12 7.550 -2.374 2.686 98 HD21 ASN 12 2HD2 ASN 12 5.962 -3.321 3.729 99 HD22 ASN 12 1HD2 ASN 12 4.676 -4.230 3.018 100 H GLU 13 H GLU 13 5.453 0.810 0.276 101 HA GLU 13 HA GLU 13 3.510 0.579 2.455 102 HB2 GLU 13 1HB GLU 13 3.573 2.921 2.962 103 HB3 GLU 13 2HB GLU 13 5.215 2.302 3.068 104 HG2 GLU 13 1HG GLU 13 5.709 3.209 0.861 105 HG3 GLU 13 2HG GLU 13 4.060 3.816 0.737 106 H CYS 14 H CYS 14 1.461 1.546 2.005 107 HA CYS 14 HA CYS 14 0.830 1.499 -0.829 108 HB2 CYS 14 1HB CYS 14 -0.511 0.408 1.142 109 HB3 CYS 14 2HB CYS 14 -1.197 2.018 1.316 110 HG CYS 14 HG CYS 14 -1.303 1.070 -1.845 111 H LYS 15 H LYS 15 1.343 3.359 -1.833 112 HA LYS 15 HA LYS 15 0.823 5.918 -0.557 113 HB2 LYS 15 1HB LYS 15 1.859 6.850 -2.637 114 HB3 LYS 15 2HB LYS 15 2.902 5.754 -1.739 115 HG2 LYS 15 1HG LYS 15 2.764 4.098 -3.336 116 HG3 LYS 15 2HG LYS 15 1.239 4.706 -3.984 117 HD2 LYS 15 1HD LYS 15 3.863 6.170 -4.221 118 HD3 LYS 15 2HD LYS 15 3.235 5.077 -5.456 119 HE2 LYS 15 1HE LYS 15 1.104 6.748 -4.933 120 HE3 LYS 15 2HE LYS 15 2.497 7.824 -4.835 121 HZ1 LYS 15 3HZ LYS 15 3.119 7.319 -7.022 122 HZ2 LYS 15 1HZ LYS 15 1.442 7.535 -7.095 123 HZ3 LYS 15 2HZ LYS 15 2.095 5.976 -7.110 124 H TYR 16 H TYR 16 -1.559 5.155 -0.623 125 HA TYR 16 HA TYR 16 -2.816 5.721 -3.204 126 HB2 TYR 16 1HB TYR 16 -4.798 4.740 -2.323 127 HB3 TYR 16 2HB TYR 16 -3.468 3.708 -1.812 128 HD1 TYR 16 2HD TYR 16 -2.755 3.672 0.538 129 HD2 TYR 16 1HD TYR 16 -6.090 5.994 -0.724 130 HE1 TYR 16 2HE TYR 16 -3.482 3.890 2.877 131 HE2 TYR 16 1HE TYR 16 -6.825 6.219 1.612 132 HH TYR 16 HH TYR 16 -5.256 4.461 4.208 133 H LYS 17 H LYS 17 -5.071 6.882 -2.841 134 HA LYS 17 HA LYS 17 -4.541 9.314 -1.263 135 HB2 LYS 17 1HB LYS 17 -5.840 9.000 -3.966 136 HB3 LYS 17 2HB LYS 17 -6.005 10.462 -3.002 137 HG2 LYS 17 1HG LYS 17 -3.750 11.002 -3.211 138 HG3 LYS 17 2HG LYS 17 -3.306 9.360 -3.687 139 HD2 LYS 17 1HD LYS 17 -5.239 10.606 -5.485 140 HD3 LYS 17 2HD LYS 17 -3.707 11.477 -5.395 141 HE2 LYS 17 1HE LYS 17 -2.505 9.411 -5.911 142 HE3 LYS 17 2HE LYS 17 -4.033 8.536 -5.986 143 HZ1 LYS 17 3HZ LYS 17 -4.325 9.186 -8.070 144 HZ2 LYS 17 1HZ LYS 17 -2.763 9.835 -8.055 145 HZ3 LYS 17 2HZ LYS 17 -4.088 10.814 -7.676 146 H ASN 18 H ASN 18 -6.182 10.154 -0.037 147 HA ASN 18 HA ASN 18 -8.727 8.673 -0.032 148 HB2 ASN 18 1HB ASN 18 -8.748 8.495 2.283 149 HB3 ASN 18 2HB ASN 18 -7.041 8.256 1.923 150 HD21 ASN 18 2HD2 ASN 18 -5.809 10.428 1.803 151 HD22 ASN 18 1HD2 ASN 18 -6.104 11.507 3.122 152 H ASP 19 H ASP 19 -10.467 9.929 1.181 153 HA ASP 19 HA ASP 19 -11.744 11.796 1.475 154 HB2 ASP 19 1HB ASP 19 -9.493 12.693 2.410 155 HB3 ASP 19 2HB ASP 19 -9.381 13.553 0.877 156 H ALA 20 H ALA 20 -9.347 12.884 -0.930 157 HA ALA 20 HA ALA 20 -11.015 12.500 -3.171 158 HB1 ALA 20 1HB ALA 20 -11.983 14.539 -3.575 159 HB2 ALA 20 2HB ALA 20 -12.088 14.472 -1.815 160 HB3 ALA 20 3HB ALA 20 -10.813 15.414 -2.587 161 H GLY 21 H GLY 21 -8.331 11.995 -2.555 162 HA2 GLY 21 1HA GLY 21 -6.623 12.047 -4.296 163 HA3 GLY 21 2HA GLY 21 -6.997 13.750 -4.520 164 H LYS 22 H LYS 22 -6.967 12.739 -1.270 165 HA LYS 22 HA LYS 22 -4.645 14.356 -0.730 166 HB2 LYS 22 1HB LYS 22 -6.920 13.528 0.711 167 HB3 LYS 22 2HB LYS 22 -5.539 12.831 1.548 168 HG2 LYS 22 1HG LYS 22 -5.759 15.742 0.818 169 HG3 LYS 22 2HG LYS 22 -6.245 15.072 2.377 170 HD2 LYS 22 1HD LYS 22 -4.016 14.396 2.872 171 HD3 LYS 22 2HD LYS 22 -3.480 14.740 1.225 172 HE2 LYS 22 1HE LYS 22 -2.728 16.615 2.304 173 HE3 LYS 22 2HE LYS 22 -4.329 17.160 1.804 174 HZ1 LYS 22 3HZ LYS 22 -3.870 15.928 4.452 175 HZ2 LYS 22 1HZ LYS 22 -5.168 16.890 3.949 176 HZ3 LYS 22 2HZ LYS 22 -3.645 17.585 4.197 177 H ASP 23 H ASP 23 -2.658 13.590 -0.963 178 HA ASP 23 HA ASP 23 -1.910 10.960 -1.342 179 HB2 ASP 23 1HB ASP 23 -0.528 13.476 -0.722 180 HB3 ASP 23 2HB ASP 23 0.338 12.036 -0.193 181 H THR 24 H THR 24 -1.642 9.241 -0.073 182 HA THR 24 HA THR 24 -1.289 9.625 2.813 183 HB THR 24 HB THR 24 -3.337 7.771 1.583 184 HG1 THR 24 1HG THR 24 -3.791 10.131 1.879 185 HG21 THR 24 3HG2 THR 24 -3.905 7.173 3.887 186 HG22 THR 24 1HG2 THR 24 -2.589 8.187 4.481 187 HG23 THR 24 2HG2 THR 24 -2.232 6.752 3.520 188 H PHE 25 H PHE 25 0.190 8.304 3.686 189 HA PHE 25 HA PHE 25 1.018 5.934 2.151 190 HB2 PHE 25 1HB PHE 25 2.855 7.842 3.615 191 HB3 PHE 25 2HB PHE 25 3.349 6.380 2.770 192 HD1 PHE 25 1HD PHE 25 1.859 9.731 2.296 193 HD2 PHE 25 2HD PHE 25 3.766 6.397 0.462 194 HE1 PHE 25 1HE PHE 25 2.122 11.027 0.222 195 HE2 PHE 25 2HE PHE 25 4.033 7.689 -1.616 196 HZ PHE 25 HZ PHE 25 3.211 10.007 -1.737 197 H ILE 26 H ILE 26 1.329 4.096 3.292 198 HA ILE 26 HA ILE 26 1.717 4.132 6.150 199 HB ILE 26 HB ILE 26 -0.688 4.382 6.105 200 HG12 ILE 26 1HG1 ILE 26 -1.334 2.354 7.345 201 HG13 ILE 26 2HG1 ILE 26 0.097 1.528 6.740 202 HG21 ILE 26 1HG2 ILE 26 -1.991 3.492 4.541 203 HG22 ILE 26 2HG2 ILE 26 -0.538 2.853 3.776 204 HG23 ILE 26 3HG2 ILE 26 -1.435 1.864 4.926 205 HD11 ILE 26 3HD1 ILE 26 0.073 2.577 9.122 206 HD12 ILE 26 1HD1 ILE 26 1.512 2.696 8.110 207 HD13 ILE 26 2HD1 ILE 26 0.416 4.071 8.252 208 H LYS 27 H LYS 27 3.085 2.547 6.599 209 HA LYS 27 HA LYS 27 3.958 0.651 4.745 210 HB2 LYS 27 1HB LYS 27 5.080 -0.434 6.673 211 HB3 LYS 27 2HB LYS 27 5.349 1.302 6.611 212 HG2 LYS 27 1HG LYS 27 3.483 1.541 8.281 213 HG3 LYS 27 2HG LYS 27 3.525 -0.215 8.454 214 HD2 LYS 27 1HD LYS 27 6.027 0.084 8.927 215 HD3 LYS 27 2HD LYS 27 5.648 1.794 9.148 216 HE2 LYS 27 1HE LYS 27 3.725 0.605 10.666 217 HE3 LYS 27 2HE LYS 27 5.073 -0.513 10.872 218 HZ1 LYS 27 3HZ LYS 27 6.437 1.533 11.400 219 HZ2 LYS 27 1HZ LYS 27 5.303 1.065 12.564 220 HZ3 LYS 27 2HZ LYS 27 4.972 2.368 11.538 221 H CYS 28 H CYS 28 3.306 -1.344 4.196 222 HA CYS 28 HA CYS 28 0.814 -2.318 5.317 223 HB2 CYS 28 1HB CYS 28 2.456 -3.574 3.116 224 HB3 CYS 28 2HB CYS 28 0.751 -3.836 3.464 225 HG CYS 28 HG CYS 28 2.136 -1.633 1.473 226 HA PRO 29 HA PRO 29 2.504 -5.393 7.952 227 HB2 PRO 29 1HB PRO 29 0.615 -7.334 7.765 228 HB3 PRO 29 2HB PRO 29 0.351 -5.818 8.633 229 HG2 PRO 29 1HG PRO 29 -0.508 -6.593 5.872 230 HG3 PRO 29 2HG PRO 29 -1.421 -5.736 7.129 231 HD2 PRO 29 1HD PRO 29 -0.240 -4.454 5.057 232 HD3 PRO 29 2HD PRO 29 -0.411 -3.717 6.663 233 H LYS 30 H LYS 30 4.278 -5.687 6.302 234 HA LYS 30 HA LYS 30 4.369 -8.484 5.537 235 HB2 LYS 30 1HB LYS 30 4.462 -6.223 3.565 236 HB3 LYS 30 2HB LYS 30 5.337 -7.715 3.246 237 HG2 LYS 30 1HG LYS 30 2.380 -7.525 3.779 238 HG3 LYS 30 2HG LYS 30 3.124 -7.663 2.184 239 HD2 LYS 30 1HD LYS 30 3.343 -9.872 2.396 240 HD3 LYS 30 2HD LYS 30 4.095 -9.708 3.984 241 HE2 LYS 30 1HE LYS 30 2.179 -10.153 5.068 242 HE3 LYS 30 2HE LYS 30 1.214 -9.181 3.957 243 HZ1 LYS 30 3HZ LYS 30 1.672 -11.151 2.351 244 HZ2 LYS 30 1HZ LYS 30 0.456 -11.283 3.519 245 HZ3 LYS 30 2HZ LYS 30 1.958 -12.018 3.775 246 H PHE 31 H PHE 31 5.729 -7.305 7.578 247 HA PHE 31 HA PHE 31 8.346 -6.463 6.715 248 HB2 PHE 31 1HB PHE 31 8.871 -6.292 9.071 249 HB3 PHE 31 2HB PHE 31 7.275 -5.602 8.793 250 HD1 PHE 31 2HD PHE 31 5.267 -6.770 9.554 251 HD2 PHE 31 1HD PHE 31 9.163 -8.269 10.382 252 HE1 PHE 31 2HE PHE 31 4.326 -8.249 11.280 253 HE2 PHE 31 1HE PHE 31 8.229 -9.751 12.110 254 HZ PHE 31 HZ PHE 31 5.809 -9.742 12.562 255 H ASP 32 H ASP 32 10.086 -7.696 6.397 256 HA ASP 32 HA ASP 32 11.345 -9.571 6.075 257 HB2 ASP 32 1HB ASP 32 10.230 -10.301 8.793 258 HB3 ASP 32 2HB ASP 32 11.682 -10.971 8.052 259 H ASN 33 H ASN 33 9.427 -9.940 4.465 260 HA ASN 33 HA ASN 33 8.986 -12.693 4.292 261 HB2 ASN 33 1HB ASN 33 7.280 -11.653 6.155 262 HB3 ASN 33 2HB ASN 33 6.302 -11.548 4.695 263 HD21 ASN 33 2HD2 ASN 33 5.615 -13.170 6.816 264 HD22 ASN 33 1HD2 ASN 33 5.750 -14.823 6.332 265 H LYS 34 H LYS 34 7.893 -9.464 3.462 266 HA LYS 34 HA LYS 34 8.187 -9.876 0.695 267 HB2 LYS 34 1HB LYS 34 5.983 -11.143 1.360 268 HB3 LYS 34 2HB LYS 34 5.291 -9.526 1.372 269 HG2 LYS 34 1HG LYS 34 4.870 -10.004 -0.785 270 HG3 LYS 34 2HG LYS 34 6.535 -9.458 -1.002 271 HD2 LYS 34 1HD LYS 34 6.864 -12.099 -0.354 272 HD3 LYS 34 2HD LYS 34 5.374 -12.127 -1.299 273 HE2 LYS 34 1HE LYS 34 6.486 -10.977 -3.126 274 HE3 LYS 34 2HE LYS 34 7.964 -10.851 -2.174 275 HZ1 LYS 34 3HZ LYS 34 8.442 -12.702 -3.365 276 HZ2 LYS 34 1HZ LYS 34 6.824 -13.167 -3.538 277 HZ3 LYS 34 2HZ LYS 34 7.635 -13.452 -2.081 278 H LYS 35 H LYS 35 9.252 -7.940 2.067 279 HA LYS 35 HA LYS 35 7.588 -5.596 2.236 280 HB2 LYS 35 1HB LYS 35 10.472 -6.206 2.739 281 HB3 LYS 35 2HB LYS 35 9.979 -4.531 2.539 282 HG2 LYS 35 1HG LYS 35 8.214 -5.061 4.335 283 HG3 LYS 35 2HG LYS 35 9.210 -6.479 4.677 284 HD2 LYS 35 1HD LYS 35 9.929 -4.771 6.160 285 HD3 LYS 35 2HD LYS 35 11.167 -4.903 4.908 286 HE2 LYS 35 1HE LYS 35 10.748 -2.840 4.099 287 HE3 LYS 35 2HE LYS 35 9.008 -2.987 4.343 288 HZ1 LYS 35 3HZ LYS 35 9.681 -1.346 5.832 289 HZ2 LYS 35 1HZ LYS 35 11.073 -2.186 6.298 290 HZ3 LYS 35 2HZ LYS 35 9.552 -2.728 6.799 291 H CYS 36 H CYS 36 7.144 -6.273 -0.227 292 HA CYS 36 HA CYS 36 7.156 -5.531 -2.376 293 HB2 CYS 36 1HB CYS 36 7.202 -3.293 -1.260 294 HB3 CYS 36 2HB CYS 36 8.958 -3.322 -1.368 295 HG CYS 36 HG CYS 36 6.994 -2.013 -3.467 296 H THR 37 H THR 37 8.339 -5.824 -4.252 297 HA THR 37 HA THR 37 11.219 -6.077 -4.147 298 HB THR 37 HB THR 37 11.048 -8.424 -5.204 299 HG1 THR 37 1HG THR 37 8.708 -8.654 -3.646 300 HG21 THR 37 3HG2 THR 37 10.276 -8.609 -2.349 301 HG22 THR 37 1HG2 THR 37 11.684 -7.620 -2.732 302 HG23 THR 37 2HG2 THR 37 11.647 -9.320 -3.199 303 H LYS 38 H LYS 38 9.457 -4.364 -5.563 304 HA LYS 38 HA LYS 38 10.532 -4.511 -8.145 305 HB2 LYS 38 1HB LYS 38 8.763 -5.263 -9.502 306 HB3 LYS 38 2HB LYS 38 8.855 -6.440 -8.198 307 HG2 LYS 38 1HG LYS 38 6.623 -6.124 -8.177 308 HG3 LYS 38 2HG LYS 38 7.063 -4.771 -7.132 309 HD2 LYS 38 1HD LYS 38 6.149 -3.353 -8.579 310 HD3 LYS 38 2HD LYS 38 7.258 -3.908 -9.835 311 HE2 LYS 38 1HE LYS 38 4.836 -5.527 -9.181 312 HE3 LYS 38 2HE LYS 38 4.671 -4.082 -10.176 313 HZ1 LYS 38 3HZ LYS 38 6.677 -5.210 -11.429 314 HZ2 LYS 38 1HZ LYS 38 5.072 -5.612 -11.783 315 HZ3 LYS 38 2HZ LYS 38 5.994 -6.616 -10.782 316 H ASP 39 H ASP 39 10.441 -2.534 -9.020 317 HA ASP 39 HA ASP 39 9.450 -0.333 -7.681 318 HB2 ASP 39 1HB ASP 39 10.503 -0.866 -10.372 319 HB3 ASP 39 2HB ASP 39 9.427 0.527 -10.284 320 H ASN 40 H ASN 40 7.461 0.346 -7.280 321 HA ASN 40 HA ASN 40 5.222 0.719 -7.436 322 HB2 ASN 40 1HB ASN 40 6.156 0.727 -10.233 323 HB3 ASN 40 2HB ASN 40 4.432 0.431 -10.028 324 HD21 ASN 40 2HD2 ASN 40 6.773 2.484 -8.328 325 HD22 ASN 40 1HD2 ASN 40 5.883 3.952 -8.524 326 H ASN 41 H ASN 41 5.072 -1.347 -6.260 327 HA ASN 41 HA ASN 41 4.383 -3.720 -7.732 328 HB2 ASN 41 1HB ASN 41 5.225 -3.145 -5.112 329 HB3 ASN 41 2HB ASN 41 3.606 -3.819 -4.952 330 HD21 ASN 41 2HD2 ASN 41 6.239 -4.908 -4.229 331 HD22 ASN 41 1HD2 ASN 41 6.351 -6.430 -5.040 332 H LYS 42 H LYS 42 2.301 -4.784 -6.262 333 HA LYS 42 HA LYS 42 0.062 -2.999 -6.961 334 HB2 LYS 42 1HB LYS 42 0.594 -5.332 -8.198 335 HB3 LYS 42 2HB LYS 42 -0.395 -5.928 -6.870 336 HG2 LYS 42 1HG LYS 42 -2.265 -4.705 -7.561 337 HG3 LYS 42 2HG LYS 42 -1.304 -3.662 -8.611 338 HD2 LYS 42 1HD LYS 42 -1.375 -5.121 -10.318 339 HD3 LYS 42 2HD LYS 42 -1.119 -6.512 -9.262 340 HE2 LYS 42 1HE LYS 42 -3.266 -6.830 -10.137 341 HE3 LYS 42 2HE LYS 42 -3.542 -6.172 -8.526 342 HZ1 LYS 42 3HZ LYS 42 -4.948 -5.132 -10.220 343 HZ2 LYS 42 1HZ LYS 42 -3.571 -4.584 -11.035 344 HZ3 LYS 42 2HZ LYS 42 -3.919 -4.009 -9.484 345 H CYS 43 H CYS 43 -0.939 -2.276 -5.210 346 HA CYS 43 HA CYS 43 -1.337 -4.126 -2.956 347 HB2 CYS 43 1HB CYS 43 0.207 -1.770 -2.926 348 HB3 CYS 43 2HB CYS 43 -1.281 -1.385 -2.069 349 HG CYS 43 HG CYS 43 1.069 -3.715 -1.265 350 H THR 44 H THR 44 -2.944 -2.677 -1.357 351 HA THR 44 HA THR 44 -5.012 -1.247 -2.636 352 HB THR 44 HB THR 44 -6.609 -3.404 -1.950 353 HG1 THR 44 1HG THR 44 -4.686 -4.488 -3.691 354 HG21 THR 44 3HG2 THR 44 -7.361 -2.381 -3.822 355 HG22 THR 44 1HG2 THR 44 -6.452 -3.652 -4.638 356 HG23 THR 44 2HG2 THR 44 -5.735 -2.055 -4.424 357 H VAL 45 H VAL 45 -6.857 -0.845 -1.199 358 HA VAL 45 HA VAL 45 -6.509 -1.633 1.585 359 HB VAL 45 HB VAL 45 -6.555 1.267 0.735 360 HG11 VAL 45 1HG1 VAL 45 -6.973 -0.090 3.347 361 HG12 VAL 45 2HG1 VAL 45 -6.080 1.432 3.329 362 HG13 VAL 45 3HG1 VAL 45 -7.725 1.367 2.695 363 HG21 VAL 45 3HG2 VAL 45 -4.406 -0.330 2.128 364 HG22 VAL 45 1HG2 VAL 45 -4.370 0.193 0.444 365 HG23 VAL 45 2HG2 VAL 45 -4.339 1.389 1.741 366 H ASP 46 H ASP 46 -8.385 -1.565 2.787 367 HA ASP 46 HA ASP 46 -10.818 -0.782 1.320 368 HB2 ASP 46 1HB ASP 46 -10.098 -3.310 2.384 369 HB3 ASP 46 2HB ASP 46 -11.403 -2.680 3.385 370 H THR 47 H THR 47 -12.417 0.312 2.419 371 HA THR 47 HA THR 47 -11.553 1.719 4.792 372 HB THR 47 HB THR 47 -14.004 2.685 4.491 373 HG1 THR 47 1HG THR 47 -14.887 1.650 2.841 374 HG21 THR 47 3HG2 THR 47 -12.410 4.282 4.190 375 HG22 THR 47 1HG2 THR 47 -12.897 4.094 2.506 376 HG23 THR 47 2HG2 THR 47 -11.452 3.278 3.103 377 H TYR 48 H TYR 48 -13.393 -1.057 4.088 378 HA TYR 48 HA TYR 48 -15.353 -1.111 6.026 379 HB2 TYR 48 1HB TYR 48 -15.238 -2.875 4.412 380 HB3 TYR 48 2HB TYR 48 -13.629 -3.344 4.949 381 HD1 TYR 48 2HD TYR 48 -17.118 -3.032 6.245 382 HD2 TYR 48 1HD TYR 48 -13.417 -5.125 6.414 383 HE1 TYR 48 2HE TYR 48 -18.115 -4.660 7.795 384 HE2 TYR 48 1HE TYR 48 -14.405 -6.759 7.962 385 HH TYR 48 HH TYR 48 -17.282 -6.258 9.574 386 H ASN 49 H ASN 49 -12.044 -2.403 6.363 387 HA ASN 49 HA ASN 49 -12.001 -1.577 9.146 388 HB2 ASN 49 1HB ASN 49 -11.358 -3.827 9.953 389 HB3 ASN 49 2HB ASN 49 -12.998 -3.793 9.309 390 HD21 ASN 49 2HD2 ASN 49 -12.045 -6.189 9.502 391 HD22 ASN 49 1HD2 ASN 49 -11.512 -6.826 7.987 392 H ASN 50 H ASN 50 -10.559 -0.670 6.908 393 HA ASN 50 HA ASN 50 -8.448 -0.262 6.145 394 HB2 ASN 50 1HB ASN 50 -8.442 0.298 8.724 395 HB3 ASN 50 2HB ASN 50 -7.339 -1.073 8.801 396 HD21 ASN 50 2HD2 ASN 50 -7.870 1.799 6.780 397 HD22 ASN 50 1HD2 ASN 50 -6.204 2.252 6.693 398 H ALA 51 H ALA 51 -9.108 -2.574 5.151 399 HA ALA 51 HA ALA 51 -7.319 -4.700 5.941 400 HB1 ALA 51 1HB ALA 51 -8.312 -5.639 3.669 401 HB2 ALA 51 2HB ALA 51 -9.239 -5.649 5.170 402 HB3 ALA 51 3HB ALA 51 -9.515 -4.385 3.972 403 H VAL 52 H VAL 52 -5.241 -3.911 5.616 404 HA VAL 52 HA VAL 52 -4.442 -2.814 3.074 405 HB VAL 52 HB VAL 52 -2.760 -3.676 5.432 406 HG11 VAL 52 1HG1 VAL 52 -1.339 -3.677 3.554 407 HG12 VAL 52 2HG1 VAL 52 -2.082 -2.220 2.891 408 HG13 VAL 52 3HG1 VAL 52 -1.079 -2.120 4.338 409 HG21 VAL 52 3HG2 VAL 52 -4.256 -1.217 4.784 410 HG22 VAL 52 1HG2 VAL 52 -3.791 -1.888 6.349 411 HG23 VAL 52 2HG2 VAL 52 -2.616 -0.986 5.391 412 H ASP 53 H ASP 53 -4.337 -4.132 1.372 413 HA ASP 53 HA ASP 53 -3.587 -6.915 1.676 414 HB2 ASP 53 1HB ASP 53 -5.334 -5.725 0.012 415 HB3 ASP 53 2HB ASP 53 -3.912 -5.738 -1.028 416 H CYS 54 H CYS 54 -2.200 -7.545 -0.535 417 HA CYS 54 HA CYS 54 0.091 -5.806 -0.840 418 HB2 CYS 54 1HB CYS 54 1.737 -7.306 0.019 419 HB3 CYS 54 2HB CYS 54 0.512 -7.128 1.268 420 HG CYS 54 HG CYS 54 -0.768 -9.591 0.411 421 H ASP 55 H ASP 55 1.576 -6.554 -2.491 422 HA ASP 55 HA ASP 55 0.248 -7.625 -4.732 423 HB2 ASP 55 1HB ASP 55 2.214 -6.067 -4.800 424 HB3 ASP 55 2HB ASP 55 3.237 -7.421 -4.329 Start of MODEL 6 1 H1 ALA 1 H ALA 1 -16.498 1.301 1.702 2 HA ALA 1 HA ALA 1 -15.802 2.486 -0.855 3 HB1 ALA 1 1HB ALA 1 -14.052 3.651 0.695 4 HB2 ALA 1 2HB ALA 1 -15.754 4.111 0.772 5 HB3 ALA 1 3HB ALA 1 -15.078 3.027 1.988 6 H LYS 2 H LYS 2 -13.234 2.852 -0.983 7 HA LYS 2 HA LYS 2 -11.531 0.763 -0.185 8 HB2 LYS 2 1HB LYS 2 -13.219 0.103 -2.376 9 HB3 LYS 2 2HB LYS 2 -11.587 0.293 -3.002 10 HG2 LYS 2 1HG LYS 2 -10.881 -1.241 -1.070 11 HG3 LYS 2 2HG LYS 2 -12.597 -1.636 -0.948 12 HD2 LYS 2 1HD LYS 2 -11.443 -1.739 -3.661 13 HD3 LYS 2 2HD LYS 2 -10.855 -2.959 -2.529 14 HE2 LYS 2 1HE LYS 2 -12.676 -4.063 -3.340 15 HE3 LYS 2 2HE LYS 2 -13.445 -3.191 -2.015 16 HZ1 LYS 2 3HZ LYS 2 -14.194 -3.116 -4.635 17 HZ2 LYS 2 1HZ LYS 2 -13.365 -1.656 -4.426 18 HZ3 LYS 2 2HZ LYS 2 -14.682 -2.031 -3.432 19 H TYR 3 H TYR 3 -9.386 1.008 -0.982 20 HA TYR 3 HA TYR 3 -8.928 3.442 -2.571 21 HB2 TYR 3 1HB TYR 3 -7.311 2.627 -0.149 22 HB3 TYR 3 2HB TYR 3 -7.091 4.078 -1.121 23 HD1 TYR 3 2HD TYR 3 -9.887 4.984 -1.439 24 HD2 TYR 3 1HD TYR 3 -7.867 3.432 1.969 25 HE1 TYR 3 2HE TYR 3 -11.435 6.207 0.029 26 HE2 TYR 3 1HE TYR 3 -9.410 4.649 3.447 27 HH TYR 3 HH TYR 3 -11.824 6.873 2.150 28 H THR 4 H THR 4 -7.232 3.385 -3.996 29 HA THR 4 HA THR 4 -5.697 0.875 -4.140 30 HB THR 4 HB THR 4 -6.573 2.374 -6.600 31 HG1 THR 4 1HG THR 4 -8.502 1.573 -6.318 32 HG21 THR 4 3HG2 THR 4 -5.081 0.927 -7.457 33 HG22 THR 4 1HG2 THR 4 -6.339 -0.283 -7.212 34 HG23 THR 4 2HG2 THR 4 -5.073 -0.070 -6.003 35 H GLY 5 H GLY 5 -3.641 1.043 -5.266 36 HA2 GLY 5 1HA GLY 5 -2.510 3.468 -6.120 37 HA3 GLY 5 2HA GLY 5 -2.117 3.248 -4.421 38 H LYS 6 H LYS 6 0.064 2.945 -4.686 39 HA LYS 6 HA LYS 6 0.834 0.335 -5.736 40 HB2 LYS 6 1HB LYS 6 2.653 2.555 -6.481 41 HB3 LYS 6 2HB LYS 6 2.295 1.059 -7.333 42 HG2 LYS 6 1HG LYS 6 0.072 2.038 -7.935 43 HG3 LYS 6 2HG LYS 6 0.637 3.567 -7.260 44 HD2 LYS 6 1HD LYS 6 1.098 3.770 -9.536 45 HD3 LYS 6 2HD LYS 6 2.646 3.280 -8.845 46 HE2 LYS 6 1HE LYS 6 2.192 0.961 -9.482 47 HE3 LYS 6 2HE LYS 6 0.646 1.452 -10.172 48 HZ1 LYS 6 3HZ LYS 6 3.102 2.755 -11.114 49 HZ2 LYS 6 1HZ LYS 6 1.651 2.475 -11.937 50 HZ3 LYS 6 2HZ LYS 6 2.735 1.203 -11.675 51 H CYS 7 H CYS 7 3.464 0.309 -5.424 52 HA CYS 7 HA CYS 7 4.139 1.489 -2.842 53 HB2 CYS 7 1HB CYS 7 4.010 -1.470 -3.399 54 HB3 CYS 7 2HB CYS 7 5.023 -0.809 -2.121 55 HG CYS 7 HG CYS 7 2.831 0.384 -0.774 56 H THR 8 H THR 8 6.448 1.196 -2.300 57 HA THR 8 HA THR 8 8.074 1.075 -4.755 58 HB THR 8 HB THR 8 9.574 2.662 -3.837 59 HG1 THR 8 1HG THR 8 8.128 2.488 -1.385 60 HG21 THR 8 3HG2 THR 8 7.251 3.463 -4.590 61 HG22 THR 8 1HG2 THR 8 8.244 4.583 -3.660 62 HG23 THR 8 2HG2 THR 8 6.928 3.710 -2.874 63 H LYS 9 H LYS 9 9.781 -0.275 -4.854 64 HA LYS 9 HA LYS 9 10.005 -2.442 -3.106 65 HB2 LYS 9 1HB LYS 9 12.205 -2.845 -4.263 66 HB3 LYS 9 2HB LYS 9 10.820 -2.677 -5.333 67 HG2 LYS 9 1HG LYS 9 11.571 -0.738 -6.231 68 HG3 LYS 9 2HG LYS 9 12.359 -0.222 -4.739 69 HD2 LYS 9 1HD LYS 9 14.214 -0.706 -5.969 70 HD3 LYS 9 2HD LYS 9 13.911 -2.308 -5.292 71 HE2 LYS 9 1HE LYS 9 12.687 -1.493 -7.902 72 HE3 LYS 9 2HE LYS 9 14.351 -2.070 -7.833 73 HZ1 LYS 9 3HZ LYS 9 12.716 -3.834 -8.308 74 HZ2 LYS 9 1HZ LYS 9 12.016 -3.576 -6.790 75 HZ3 LYS 9 2HZ LYS 9 13.610 -4.130 -6.901 76 H SER 10 H SER 10 11.538 0.692 -3.079 77 HA SER 10 HA SER 10 13.514 -0.035 -1.112 78 HB2 SER 10 1HB SER 10 14.064 2.368 -1.106 79 HB3 SER 10 2HB SER 10 13.990 1.731 -2.749 80 HG SER 10 HG SER 10 12.166 3.405 -1.408 81 H LYS 11 H LYS 11 10.268 1.144 -1.118 82 HA LYS 11 HA LYS 11 10.305 1.186 1.812 83 HB2 LYS 11 1HB LYS 11 10.320 3.527 0.473 84 HB3 LYS 11 2HB LYS 11 8.588 3.219 0.508 85 HG2 LYS 11 1HG LYS 11 9.033 4.528 2.400 86 HG3 LYS 11 2HG LYS 11 8.840 2.882 3.006 87 HD2 LYS 11 1HD LYS 11 10.744 3.516 4.120 88 HD3 LYS 11 2HD LYS 11 11.448 2.800 2.668 89 HE2 LYS 11 1HE LYS 11 12.540 4.895 3.114 90 HE3 LYS 11 2HE LYS 11 11.555 5.062 1.662 91 HZ1 LYS 11 3HZ LYS 11 10.612 6.803 2.626 92 HZ2 LYS 11 1HZ LYS 11 11.413 6.516 4.087 93 HZ3 LYS 11 2HZ LYS 11 9.928 5.770 3.777 94 H ASN 12 H ASN 12 9.027 -0.492 2.276 95 HA ASN 12 HA ASN 12 6.786 -1.210 0.618 96 HB2 ASN 12 1HB ASN 12 8.046 -2.995 1.638 97 HB3 ASN 12 2HB ASN 12 7.802 -2.312 3.243 98 HD21 ASN 12 2HD2 ASN 12 6.217 -3.127 4.403 99 HD22 ASN 12 1HD2 ASN 12 4.871 -4.024 3.796 100 H GLU 13 H GLU 13 5.709 0.907 0.886 101 HA GLU 13 HA GLU 13 3.920 0.827 3.209 102 HB2 GLU 13 1HB GLU 13 4.113 3.154 3.630 103 HB3 GLU 13 2HB GLU 13 5.756 2.537 3.519 104 HG2 GLU 13 1HG GLU 13 5.483 3.259 0.997 105 HG3 GLU 13 2HG GLU 13 4.276 4.340 1.688 106 H CYS 14 H CYS 14 1.822 1.184 2.745 107 HA CYS 14 HA CYS 14 0.999 1.230 0.021 108 HB2 CYS 14 1HB CYS 14 -0.206 0.748 2.581 109 HB3 CYS 14 2HB CYS 14 -1.202 1.881 1.677 110 HG CYS 14 HG CYS 14 -2.124 0.222 -0.106 111 H LYS 15 H LYS 15 1.362 3.032 -1.128 112 HA LYS 15 HA LYS 15 0.809 5.644 0.065 113 HB2 LYS 15 1HB LYS 15 1.893 6.555 -1.953 114 HB3 LYS 15 2HB LYS 15 2.927 5.412 -1.107 115 HG2 LYS 15 1HG LYS 15 2.942 3.954 -2.817 116 HG3 LYS 15 2HG LYS 15 1.252 4.258 -3.229 117 HD2 LYS 15 1HD LYS 15 2.078 6.529 -4.094 118 HD3 LYS 15 2HD LYS 15 3.693 5.819 -4.021 119 HE2 LYS 15 1HE LYS 15 3.348 4.593 -5.859 120 HE3 LYS 15 2HE LYS 15 1.745 4.089 -5.325 121 HZ1 LYS 15 3HZ LYS 15 1.620 5.376 -7.357 122 HZ2 LYS 15 1HZ LYS 15 2.407 6.679 -6.619 123 HZ3 LYS 15 2HZ LYS 15 0.869 6.212 -6.092 124 H TYR 16 H TYR 16 -1.524 4.478 -0.125 125 HA TYR 16 HA TYR 16 -2.778 4.846 -2.690 126 HB2 TYR 16 1HB TYR 16 -4.779 4.056 -1.646 127 HB3 TYR 16 2HB TYR 16 -3.452 3.089 -1.014 128 HD1 TYR 16 2HD TYR 16 -2.678 3.403 1.300 129 HD2 TYR 16 1HD TYR 16 -6.035 5.529 -0.222 130 HE1 TYR 16 2HE TYR 16 -3.354 3.969 3.596 131 HE2 TYR 16 1HE TYR 16 -6.719 6.101 2.071 132 HH TYR 16 HH TYR 16 -6.357 5.091 4.406 133 H LYS 17 H LYS 17 -5.068 6.035 -2.469 134 HA LYS 17 HA LYS 17 -4.528 8.700 -1.330 135 HB2 LYS 17 1HB LYS 17 -5.735 9.683 -3.216 136 HB3 LYS 17 2HB LYS 17 -4.358 8.740 -3.774 137 HG2 LYS 17 1HG LYS 17 -6.498 6.954 -3.751 138 HG3 LYS 17 2HG LYS 17 -7.152 8.458 -4.403 139 HD2 LYS 17 1HD LYS 17 -4.545 7.366 -5.395 140 HD3 LYS 17 2HD LYS 17 -6.075 6.750 -6.022 141 HE2 LYS 17 1HE LYS 17 -6.571 8.691 -7.103 142 HE3 LYS 17 2HE LYS 17 -5.735 9.693 -5.915 143 HZ1 LYS 17 3HZ LYS 17 -4.317 9.866 -7.668 144 HZ2 LYS 17 1HZ LYS 17 -4.669 8.326 -8.274 145 HZ3 LYS 17 2HZ LYS 17 -3.654 8.493 -6.933 146 H ASN 18 H ASN 18 -6.144 9.680 -0.206 147 HA ASN 18 HA ASN 18 -8.714 8.251 -0.029 148 HB2 ASN 18 1HB ASN 18 -8.743 8.369 2.283 149 HB3 ASN 18 2HB ASN 18 -7.027 8.113 1.978 150 HD21 ASN 18 2HD2 ASN 18 -5.839 10.282 1.566 151 HD22 ASN 18 1HD2 ASN 18 -6.162 11.518 2.730 152 H ASP 19 H ASP 19 -10.416 9.710 1.064 153 HA ASP 19 HA ASP 19 -11.661 11.623 1.095 154 HB2 ASP 19 1HB ASP 19 -9.372 12.617 1.811 155 HB3 ASP 19 2HB ASP 19 -9.296 13.220 0.158 156 H ALA 20 H ALA 20 -9.329 12.277 -1.521 157 HA ALA 20 HA ALA 20 -11.002 11.540 -3.642 158 HB1 ALA 20 1HB ALA 20 -11.571 13.865 -4.459 159 HB2 ALA 20 2HB ALA 20 -12.496 13.277 -3.076 160 HB3 ALA 20 3HB ALA 20 -11.183 14.431 -2.833 161 H GLY 21 H GLY 21 -8.278 11.313 -2.985 162 HA2 GLY 21 1HA GLY 21 -6.634 11.225 -4.826 163 HA3 GLY 21 2HA GLY 21 -7.054 12.899 -5.159 164 H LYS 22 H LYS 22 -6.980 12.246 -1.850 165 HA LYS 22 HA LYS 22 -4.560 13.811 -1.550 166 HB2 LYS 22 1HB LYS 22 -6.613 12.752 0.384 167 HB3 LYS 22 2HB LYS 22 -5.129 13.518 0.934 168 HG2 LYS 22 1HG LYS 22 -6.331 15.195 -1.022 169 HG3 LYS 22 2HG LYS 22 -7.557 14.738 0.162 170 HD2 LYS 22 1HD LYS 22 -6.618 16.644 1.099 171 HD3 LYS 22 2HD LYS 22 -5.749 15.340 1.913 172 HE2 LYS 22 1HE LYS 22 -4.068 15.637 -0.072 173 HE3 LYS 22 2HE LYS 22 -4.805 17.233 -0.194 174 HZ1 LYS 22 3HZ LYS 22 -4.280 16.878 2.478 175 HZ2 LYS 22 1HZ LYS 22 -3.419 17.857 1.401 176 HZ3 LYS 22 2HZ LYS 22 -2.911 16.271 1.693 177 H ASP 23 H ASP 23 -2.607 12.958 -1.349 178 HA ASP 23 HA ASP 23 -2.000 10.267 -1.411 179 HB2 ASP 23 1HB ASP 23 -0.434 12.639 -0.410 180 HB3 ASP 23 2HB ASP 23 0.250 11.015 -0.418 181 H THR 24 H THR 24 -1.517 8.703 0.092 182 HA THR 24 HA THR 24 -1.720 9.340 2.930 183 HB THR 24 HB THR 24 -3.407 7.098 1.841 184 HG1 THR 24 1HG THR 24 -4.008 9.848 2.073 185 HG21 THR 24 3HG2 THR 24 -4.625 7.853 4.074 186 HG22 THR 24 1HG2 THR 24 -3.013 8.451 4.462 187 HG23 THR 24 2HG2 THR 24 -3.256 6.743 4.097 188 H PHE 25 H PHE 25 -0.353 8.157 4.123 189 HA PHE 25 HA PHE 25 0.670 5.638 3.011 190 HB2 PHE 25 1HB PHE 25 2.447 7.647 4.392 191 HB3 PHE 25 2HB PHE 25 2.931 6.202 3.511 192 HD1 PHE 25 1HD PHE 25 1.606 9.619 3.171 193 HD2 PHE 25 2HD PHE 25 3.194 6.225 1.153 194 HE1 PHE 25 1HE PHE 25 1.870 10.963 1.127 195 HE2 PHE 25 2HE PHE 25 3.462 7.563 -0.894 196 HZ PHE 25 HZ PHE 25 2.800 9.935 -0.909 197 H ILE 26 H ILE 26 1.297 4.083 4.522 198 HA ILE 26 HA ILE 26 1.359 4.562 7.322 199 HB ILE 26 HB ILE 26 -1.107 4.706 6.879 200 HG12 ILE 26 1HG1 ILE 26 -0.680 2.272 8.547 201 HG13 ILE 26 2HG1 ILE 26 0.168 3.743 9.009 202 HG21 ILE 26 1HG2 ILE 26 -1.524 1.855 6.708 203 HG22 ILE 26 2HG2 ILE 26 -2.196 3.151 5.722 204 HG23 ILE 26 3HG2 ILE 26 -0.628 2.457 5.314 205 HD11 ILE 26 3HD1 ILE 26 -2.798 3.326 8.788 206 HD12 ILE 26 1HD1 ILE 26 -1.854 3.665 10.238 207 HD13 ILE 26 2HD1 ILE 26 -2.047 4.906 9.000 208 H LYS 27 H LYS 27 3.010 3.282 5.406 209 HA LYS 27 HA LYS 27 4.232 1.391 5.076 210 HB2 LYS 27 1HB LYS 27 3.585 1.518 7.889 211 HB3 LYS 27 2HB LYS 27 3.729 -0.155 7.366 212 HG2 LYS 27 1HG LYS 27 5.942 0.537 6.311 213 HG3 LYS 27 2HG LYS 27 5.793 2.019 7.261 214 HD2 LYS 27 1HD LYS 27 5.961 0.880 9.287 215 HD3 LYS 27 2HD LYS 27 5.531 -0.671 8.561 216 HE2 LYS 27 1HE LYS 27 7.644 -0.993 7.686 217 HE3 LYS 27 2HE LYS 27 8.022 0.730 7.690 218 HZ1 LYS 27 3HZ LYS 27 7.995 -1.139 9.984 219 HZ2 LYS 27 1HZ LYS 27 7.968 0.539 10.196 220 HZ3 LYS 27 2HZ LYS 27 9.278 -0.193 9.416 221 H CYS 28 H CYS 28 4.077 -1.163 5.305 222 HA CYS 28 HA CYS 28 1.335 -1.985 4.626 223 HB2 CYS 28 1HB CYS 28 3.644 -1.948 2.904 224 HB3 CYS 28 2HB CYS 28 3.091 -3.603 3.128 225 HG CYS 28 HG CYS 28 1.365 -0.987 1.781 226 HA PRO 29 HA PRO 29 1.961 -5.271 7.475 227 HB2 PRO 29 1HB PRO 29 0.221 -7.098 6.471 228 HB3 PRO 29 2HB PRO 29 -0.302 -5.642 7.326 229 HG2 PRO 29 1HG PRO 29 -0.157 -6.161 4.382 230 HG3 PRO 29 2HG PRO 29 -1.434 -5.361 5.315 231 HD2 PRO 29 1HD PRO 29 0.419 -3.982 3.902 232 HD3 PRO 29 2HD PRO 29 -0.289 -3.362 5.408 233 H LYS 30 H LYS 30 4.191 -5.435 6.360 234 HA LYS 30 HA LYS 30 4.463 -8.181 5.385 235 HB2 LYS 30 1HB LYS 30 5.953 -5.885 4.113 236 HB3 LYS 30 2HB LYS 30 5.940 -7.567 3.600 237 HG2 LYS 30 1HG LYS 30 3.532 -5.761 3.564 238 HG3 LYS 30 2HG LYS 30 4.577 -6.071 2.175 239 HD2 LYS 30 1HD LYS 30 3.814 -8.208 1.905 240 HD3 LYS 30 2HD LYS 30 3.458 -8.414 3.622 241 HE2 LYS 30 1HE LYS 30 1.678 -6.498 3.019 242 HE3 LYS 30 2HE LYS 30 1.791 -7.296 1.450 243 HZ1 LYS 30 3HZ LYS 30 1.114 -8.600 4.032 244 HZ2 LYS 30 1HZ LYS 30 1.284 -9.405 2.553 245 HZ3 LYS 30 2HZ LYS 30 0.042 -8.276 2.764 246 H PHE 31 H PHE 31 5.013 -8.092 7.805 247 HA PHE 31 HA PHE 31 7.585 -6.996 8.485 248 HB2 PHE 31 1HB PHE 31 5.499 -8.588 9.924 249 HB3 PHE 31 2HB PHE 31 7.124 -8.498 10.597 250 HD1 PHE 31 2HD PHE 31 4.218 -6.470 9.548 251 HD2 PHE 31 1HD PHE 31 7.858 -6.590 11.751 252 HE1 PHE 31 2HE PHE 31 3.673 -4.295 10.561 253 HE2 PHE 31 1HE PHE 31 7.317 -4.417 12.769 254 HZ PHE 31 HZ PHE 31 5.223 -3.265 12.174 255 H ASP 32 H ASP 32 8.980 -8.012 6.995 256 HA ASP 32 HA ASP 32 10.381 -9.623 6.196 257 HB2 ASP 32 1HB ASP 32 10.170 -10.990 8.863 258 HB3 ASP 32 2HB ASP 32 11.578 -10.809 7.821 259 H ASN 33 H ASN 33 8.878 -10.497 4.710 260 HA ASN 33 HA ASN 33 8.515 -13.261 4.856 261 HB2 ASN 33 1HB ASN 33 6.647 -12.049 6.447 262 HB3 ASN 33 2HB ASN 33 5.779 -12.178 4.919 263 HD21 ASN 33 2HD2 ASN 33 4.354 -13.718 5.608 264 HD22 ASN 33 1HD2 ASN 33 4.818 -15.342 5.974 265 H LYS 34 H LYS 34 7.397 -10.201 3.554 266 HA LYS 34 HA LYS 34 7.911 -10.934 0.888 267 HB2 LYS 34 1HB LYS 34 5.896 -12.323 1.188 268 HB3 LYS 34 2HB LYS 34 4.981 -10.890 1.638 269 HG2 LYS 34 1HG LYS 34 4.488 -10.557 -0.490 270 HG3 LYS 34 2HG LYS 34 6.204 -10.344 -0.846 271 HD2 LYS 34 1HD LYS 34 6.415 -12.796 -1.102 272 HD3 LYS 34 2HD LYS 34 4.675 -12.947 -0.844 273 HE2 LYS 34 1HE LYS 34 4.310 -12.546 -2.997 274 HE3 LYS 34 2HE LYS 34 5.119 -10.985 -2.855 275 HZ1 LYS 34 3HZ LYS 34 7.226 -12.066 -3.288 276 HZ2 LYS 34 1HZ LYS 34 6.141 -12.387 -4.546 277 HZ3 LYS 34 2HZ LYS 34 6.469 -13.576 -3.390 278 H LYS 35 H LYS 35 8.921 -8.836 1.699 279 HA LYS 35 HA LYS 35 7.217 -6.521 1.790 280 HB2 LYS 35 1HB LYS 35 10.206 -6.903 1.766 281 HB3 LYS 35 2HB LYS 35 9.468 -5.306 1.718 282 HG2 LYS 35 1HG LYS 35 8.291 -5.861 3.840 283 HG3 LYS 35 2HG LYS 35 9.220 -7.360 3.904 284 HD2 LYS 35 1HD LYS 35 11.150 -5.440 3.476 285 HD3 LYS 35 2HD LYS 35 10.015 -4.632 4.561 286 HE2 LYS 35 1HE LYS 35 10.184 -6.456 6.144 287 HE3 LYS 35 2HE LYS 35 11.228 -7.352 5.042 288 HZ1 LYS 35 3HZ LYS 35 12.181 -5.865 6.989 289 HZ2 LYS 35 1HZ LYS 35 12.085 -4.668 5.797 290 HZ3 LYS 35 2HZ LYS 35 13.005 -6.060 5.525 291 H CYS 36 H CYS 36 7.661 -4.629 0.333 292 HA CYS 36 HA CYS 36 6.998 -5.179 -2.282 293 HB2 CYS 36 1HB CYS 36 7.060 -2.926 -0.930 294 HB3 CYS 36 2HB CYS 36 8.643 -2.752 -1.677 295 HG CYS 36 HG CYS 36 7.852 -2.192 -4.102 296 H THR 37 H THR 37 8.054 -5.928 -3.996 297 HA THR 37 HA THR 37 10.986 -5.700 -4.066 298 HB THR 37 HB THR 37 11.125 -7.959 -5.056 299 HG1 THR 37 1HG THR 37 9.231 -9.302 -4.851 300 HG21 THR 37 3HG2 THR 37 10.623 -7.297 -2.348 301 HG22 THR 37 1HG2 THR 37 11.544 -8.659 -2.983 302 HG23 THR 37 2HG2 THR 37 9.816 -8.830 -2.674 303 H LYS 38 H LYS 38 9.180 -3.977 -5.354 304 HA LYS 38 HA LYS 38 10.152 -4.101 -8.014 305 HB2 LYS 38 1HB LYS 38 8.064 -5.764 -7.759 306 HB3 LYS 38 2HB LYS 38 7.186 -4.269 -8.050 307 HG2 LYS 38 1HG LYS 38 8.703 -3.979 -10.083 308 HG3 LYS 38 2HG LYS 38 9.132 -5.674 -9.845 309 HD2 LYS 38 1HD LYS 38 6.604 -6.111 -9.840 310 HD3 LYS 38 2HD LYS 38 6.454 -4.487 -10.515 311 HE2 LYS 38 1HE LYS 38 6.710 -5.480 -12.503 312 HE3 LYS 38 2HE LYS 38 8.417 -5.597 -12.073 313 HZ1 LYS 38 3HZ LYS 38 6.395 -7.690 -11.486 314 HZ2 LYS 38 1HZ LYS 38 8.066 -7.801 -11.246 315 HZ3 LYS 38 2HZ LYS 38 7.441 -7.719 -12.815 316 H ASP 39 H ASP 39 9.845 -2.175 -9.123 317 HA ASP 39 HA ASP 39 9.242 0.098 -7.519 318 HB2 ASP 39 1HB ASP 39 10.129 -0.377 -10.318 319 HB3 ASP 39 2HB ASP 39 9.377 1.176 -9.964 320 H ASN 40 H ASN 40 7.316 0.934 -7.103 321 HA ASN 40 HA ASN 40 5.108 1.461 -7.232 322 HB2 ASN 40 1HB ASN 40 5.948 1.470 -10.108 323 HB3 ASN 40 2HB ASN 40 4.244 1.662 -9.706 324 HD21 ASN 40 2HD2 ASN 40 7.144 2.825 -8.050 325 HD22 ASN 40 1HD2 ASN 40 6.743 4.503 -8.154 326 H ASN 41 H ASN 41 5.367 -1.044 -6.496 327 HA ASN 41 HA ASN 41 4.306 -3.046 -8.145 328 HB2 ASN 41 1HB ASN 41 5.200 -2.833 -5.473 329 HB3 ASN 41 2HB ASN 41 3.572 -3.498 -5.401 330 HD21 ASN 41 2HD2 ASN 41 6.500 -4.503 -5.164 331 HD22 ASN 41 1HD2 ASN 41 6.463 -5.983 -6.056 332 H LYS 42 H LYS 42 2.199 -4.206 -6.844 333 HA LYS 42 HA LYS 42 0.040 -2.252 -7.290 334 HB2 LYS 42 1HB LYS 42 0.449 -4.576 -8.639 335 HB3 LYS 42 2HB LYS 42 -0.620 -5.130 -7.356 336 HG2 LYS 42 1HG LYS 42 -2.375 -3.798 -8.066 337 HG3 LYS 42 2HG LYS 42 -1.315 -2.705 -8.962 338 HD2 LYS 42 1HD LYS 42 -2.384 -3.964 -10.621 339 HD3 LYS 42 2HD LYS 42 -0.802 -4.727 -10.450 340 HE2 LYS 42 1HE LYS 42 -1.841 -6.390 -8.919 341 HE3 LYS 42 2HE LYS 42 -3.411 -5.670 -9.269 342 HZ1 LYS 42 3HZ LYS 42 -1.922 -6.354 -11.628 343 HZ2 LYS 42 1HZ LYS 42 -3.524 -6.715 -11.218 344 HZ3 LYS 42 2HZ LYS 42 -2.267 -7.695 -10.655 345 H CYS 43 H CYS 43 -0.880 -1.590 -5.472 346 HA CYS 43 HA CYS 43 -1.232 -3.536 -3.289 347 HB2 CYS 43 1HB CYS 43 -0.817 -1.857 -1.668 348 HB3 CYS 43 2HB CYS 43 0.462 -1.687 -2.865 349 HG CYS 43 HG CYS 43 -2.343 0.260 -2.949 350 H THR 44 H THR 44 -2.931 -2.472 -1.651 351 HA THR 44 HA THR 44 -5.030 -0.914 -2.653 352 HB THR 44 HB THR 44 -6.561 -3.219 -2.548 353 HG1 THR 44 1HG THR 44 -5.543 -4.729 -3.793 354 HG21 THR 44 3HG2 THR 44 -6.103 -2.747 -5.254 355 HG22 THR 44 1HG2 THR 44 -5.808 -1.194 -4.474 356 HG23 THR 44 2HG2 THR 44 -7.353 -2.013 -4.252 357 H VAL 45 H VAL 45 -6.197 -0.231 -0.965 358 HA VAL 45 HA VAL 45 -6.218 -1.892 1.470 359 HB VAL 45 HB VAL 45 -6.037 1.118 1.297 360 HG11 VAL 45 1HG1 VAL 45 -7.339 0.809 3.178 361 HG12 VAL 45 2HG1 VAL 45 -6.588 -0.738 3.573 362 HG13 VAL 45 3HG1 VAL 45 -5.712 0.767 3.855 363 HG21 VAL 45 3HG2 VAL 45 -3.909 0.579 2.666 364 HG22 VAL 45 1HG2 VAL 45 -4.088 -1.044 1.997 365 HG23 VAL 45 2HG2 VAL 45 -3.882 0.336 0.919 366 H ASP 46 H ASP 46 -8.109 -2.005 2.634 367 HA ASP 46 HA ASP 46 -10.475 -0.839 1.324 368 HB2 ASP 46 1HB ASP 46 -10.115 -3.423 1.539 369 HB3 ASP 46 2HB ASP 46 -10.633 -3.169 3.204 370 H THR 47 H THR 47 -11.940 0.306 2.502 371 HA THR 47 HA THR 47 -11.055 1.365 5.018 372 HB THR 47 HB THR 47 -12.895 2.861 4.905 373 HG1 THR 47 1HG THR 47 -14.755 2.233 4.127 374 HG21 THR 47 3HG2 THR 47 -12.229 4.007 3.082 375 HG22 THR 47 1HG2 THR 47 -12.576 2.666 1.990 376 HG23 THR 47 2HG2 THR 47 -11.065 2.696 2.899 377 H TYR 48 H TYR 48 -12.850 -1.338 4.116 378 HA TYR 48 HA TYR 48 -14.867 -1.557 5.979 379 HB2 TYR 48 1HB TYR 48 -14.338 -3.177 4.125 380 HB3 TYR 48 2HB TYR 48 -13.065 -3.836 5.146 381 HD1 TYR 48 2HD TYR 48 -13.821 -4.633 7.521 382 HD2 TYR 48 1HD TYR 48 -16.465 -4.094 4.231 383 HE1 TYR 48 2HE TYR 48 -15.451 -6.132 8.592 384 HE2 TYR 48 1HE TYR 48 -18.102 -5.590 5.294 385 HH TYR 48 HH TYR 48 -17.367 -7.625 7.817 386 H ASN 49 H ASN 49 -11.511 -2.704 6.355 387 HA ASN 49 HA ASN 49 -11.597 -2.067 9.182 388 HB2 ASN 49 1HB ASN 49 -11.039 -4.284 9.959 389 HB3 ASN 49 2HB ASN 49 -12.528 -4.379 9.024 390 HD21 ASN 49 2HD2 ASN 49 -12.091 -4.781 6.605 391 HD22 ASN 49 1HD2 ASN 49 -10.962 -6.043 6.261 392 H ASN 50 H ASN 50 -10.116 -0.976 7.057 393 HA ASN 50 HA ASN 50 -7.999 -0.446 6.398 394 HB2 ASN 50 1HB ASN 50 -8.106 -0.135 9.050 395 HB3 ASN 50 2HB ASN 50 -6.874 -1.392 8.987 396 HD21 ASN 50 2HD2 ASN 50 -7.632 1.465 7.020 397 HD22 ASN 50 1HD2 ASN 50 -6.042 2.141 7.087 398 H ALA 51 H ALA 51 -8.758 -2.948 5.526 399 HA ALA 51 HA ALA 51 -6.642 -4.840 6.093 400 HB1 ALA 51 1HB ALA 51 -8.431 -5.355 3.813 401 HB2 ALA 51 2HB ALA 51 -7.975 -6.398 5.161 402 HB3 ALA 51 3HB ALA 51 -9.224 -5.173 5.378 403 H VAL 52 H VAL 52 -4.723 -4.053 5.335 404 HA VAL 52 HA VAL 52 -4.487 -2.902 2.705 405 HB VAL 52 HB VAL 52 -2.352 -3.711 4.683 406 HG11 VAL 52 1HG1 VAL 52 -1.084 -1.944 3.203 407 HG12 VAL 52 2HG1 VAL 52 -1.156 -3.642 2.727 408 HG13 VAL 52 3HG1 VAL 52 -2.239 -2.468 1.978 409 HG21 VAL 52 3HG2 VAL 52 -2.398 -1.584 5.533 410 HG22 VAL 52 1HG2 VAL 52 -3.046 -0.887 4.048 411 HG23 VAL 52 2HG2 VAL 52 -4.103 -1.791 5.132 412 H ASP 53 H ASP 53 -3.517 -3.792 0.906 413 HA ASP 53 HA ASP 53 -2.692 -6.601 1.039 414 HB2 ASP 53 1HB ASP 53 -5.086 -6.503 0.337 415 HB3 ASP 53 2HB ASP 53 -4.599 -5.537 -1.053 416 H CYS 54 H CYS 54 -0.613 -6.437 0.475 417 HA CYS 54 HA CYS 54 0.183 -4.587 -1.636 418 HB2 CYS 54 1HB CYS 54 1.390 -5.090 0.686 419 HB3 CYS 54 2HB CYS 54 2.156 -6.354 -0.268 420 HG CYS 54 HG CYS 54 4.063 -4.631 -0.686 421 H ASP 55 H ASP 55 1.863 -5.412 -3.211 422 HA ASP 55 HA ASP 55 0.754 -7.625 -4.638 423 HB2 ASP 55 1HB ASP 55 2.248 -5.422 -5.334 424 HB3 ASP 55 2HB ASP 55 3.415 -6.732 -5.486 Start of MODEL 7 1 H1 ALA 1 H ALA 1 -14.588 -0.691 1.846 2 HA ALA 1 HA ALA 1 -15.334 0.129 -0.804 3 HB1 ALA 1 1HB ALA 1 -13.504 2.113 0.373 4 HB2 ALA 1 2HB ALA 1 -14.807 2.319 -0.799 5 HB3 ALA 1 3HB ALA 1 -15.179 2.198 0.921 6 H LYS 2 H LYS 2 -13.116 0.917 -1.935 7 HA LYS 2 HA LYS 2 -10.855 -0.646 -0.972 8 HB2 LYS 2 1HB LYS 2 -12.138 -1.107 -3.671 9 HB3 LYS 2 2HB LYS 2 -10.581 -1.759 -3.180 10 HG2 LYS 2 1HG LYS 2 -11.879 -3.552 -2.705 11 HG3 LYS 2 2HG LYS 2 -12.032 -2.696 -1.168 12 HD2 LYS 2 1HD LYS 2 -14.063 -1.552 -2.413 13 HD3 LYS 2 2HD LYS 2 -14.012 -3.037 -3.365 14 HE2 LYS 2 1HE LYS 2 -13.769 -3.735 -0.622 15 HE3 LYS 2 2HE LYS 2 -15.121 -2.616 -0.782 16 HZ1 LYS 2 3HZ LYS 2 -14.764 -5.275 -1.996 17 HZ2 LYS 2 1HZ LYS 2 -15.773 -4.138 -2.741 18 HZ3 LYS 2 2HZ LYS 2 -16.098 -4.651 -1.162 19 H TYR 3 H TYR 3 -8.879 -0.234 -2.246 20 HA TYR 3 HA TYR 3 -8.909 2.123 -3.946 21 HB2 TYR 3 1HB TYR 3 -7.636 2.048 -1.224 22 HB3 TYR 3 2HB TYR 3 -6.992 3.085 -2.491 23 HD1 TYR 3 2HD TYR 3 -9.862 2.466 -0.282 24 HD2 TYR 3 1HD TYR 3 -8.176 5.057 -3.205 25 HE1 TYR 3 2HE TYR 3 -11.532 4.181 0.284 26 HE2 TYR 3 1HE TYR 3 -9.840 6.780 -2.647 27 HH TYR 3 HH TYR 3 -12.464 6.135 -0.386 28 H THR 4 H THR 4 -7.382 2.025 -5.482 29 HA THR 4 HA THR 4 -5.481 -0.203 -5.354 30 HB THR 4 HB THR 4 -5.184 0.640 -7.873 31 HG1 THR 4 1HG THR 4 -6.968 1.625 -8.648 32 HG21 THR 4 3HG2 THR 4 -7.561 -0.993 -6.977 33 HG22 THR 4 1HG2 THR 4 -5.912 -1.607 -7.099 34 HG23 THR 4 2HG2 THR 4 -6.761 -1.063 -8.547 35 H GLY 5 H GLY 5 -3.394 0.157 -4.982 36 HA2 GLY 5 1HA GLY 5 -2.250 2.760 -5.740 37 HA3 GLY 5 2HA GLY 5 -2.028 2.160 -4.103 38 H LYS 6 H LYS 6 0.218 2.101 -4.304 39 HA LYS 6 HA LYS 6 1.264 -0.337 -5.341 40 HB2 LYS 6 1HB LYS 6 3.005 1.183 -6.735 41 HB3 LYS 6 2HB LYS 6 1.585 0.429 -7.448 42 HG2 LYS 6 1HG LYS 6 0.335 2.482 -7.227 43 HG3 LYS 6 2HG LYS 6 1.691 3.249 -6.396 44 HD2 LYS 6 1HD LYS 6 2.802 2.286 -8.743 45 HD3 LYS 6 2HD LYS 6 1.216 2.883 -9.238 46 HE2 LYS 6 1HE LYS 6 3.367 4.409 -7.778 47 HE3 LYS 6 2HE LYS 6 2.815 4.667 -9.432 48 HZ1 LYS 6 3HZ LYS 6 0.602 5.218 -8.489 49 HZ2 LYS 6 1HZ LYS 6 1.820 6.307 -8.050 50 HZ3 LYS 6 2HZ LYS 6 1.279 5.150 -6.941 51 H CYS 7 H CYS 7 3.441 -0.713 -4.701 52 HA CYS 7 HA CYS 7 4.370 1.152 -2.620 53 HB2 CYS 7 1HB CYS 7 4.862 -1.824 -2.856 54 HB3 CYS 7 2HB CYS 7 5.452 -0.787 -1.563 55 HG CYS 7 HG CYS 7 2.655 -0.082 -0.938 56 H THR 8 H THR 8 6.677 1.373 -2.334 57 HA THR 8 HA THR 8 8.119 1.104 -4.885 58 HB THR 8 HB THR 8 9.399 2.998 -4.352 59 HG1 THR 8 1HG THR 8 9.934 3.450 -2.355 60 HG21 THR 8 3HG2 THR 8 7.824 4.692 -4.219 61 HG22 THR 8 1HG2 THR 8 6.842 3.828 -3.038 62 HG23 THR 8 2HG2 THR 8 6.837 3.322 -4.727 63 H LYS 9 H LYS 9 10.108 0.149 -4.975 64 HA LYS 9 HA LYS 9 10.752 -1.850 -3.144 65 HB2 LYS 9 1HB LYS 9 13.024 -1.806 -4.301 66 HB3 LYS 9 2HB LYS 9 11.620 -2.077 -5.325 67 HG2 LYS 9 1HG LYS 9 11.749 0.029 -6.280 68 HG3 LYS 9 2HG LYS 9 12.712 0.682 -4.952 69 HD2 LYS 9 1HD LYS 9 14.439 0.394 -6.365 70 HD3 LYS 9 2HD LYS 9 14.336 -1.297 -5.869 71 HE2 LYS 9 1HE LYS 9 12.667 -1.561 -7.792 72 HE3 LYS 9 2HE LYS 9 13.258 0.002 -8.352 73 HZ1 LYS 9 3HZ LYS 9 14.740 -2.542 -8.112 74 HZ2 LYS 9 1HZ LYS 9 15.549 -1.058 -8.199 75 HZ3 LYS 9 2HZ LYS 9 14.552 -1.554 -9.472 76 H SER 10 H SER 10 11.426 1.520 -3.073 77 HA SER 10 HA SER 10 13.667 1.346 -1.276 78 HB2 SER 10 1HB SER 10 13.675 3.718 -1.293 79 HB3 SER 10 2HB SER 10 13.198 3.245 -2.923 80 HG SER 10 HG SER 10 11.924 4.911 -1.530 81 H LYS 11 H LYS 11 10.240 1.391 -0.995 82 HA LYS 11 HA LYS 11 10.398 1.001 1.847 83 HB2 LYS 11 1HB LYS 11 8.732 2.895 2.282 84 HB3 LYS 11 2HB LYS 11 10.413 3.345 2.028 85 HG2 LYS 11 1HG LYS 11 9.868 3.868 -0.330 86 HG3 LYS 11 2HG LYS 11 8.173 3.532 0.026 87 HD2 LYS 11 1HD LYS 11 8.563 5.914 0.136 88 HD3 LYS 11 2HD LYS 11 8.223 5.299 1.754 89 HE2 LYS 11 1HE LYS 11 11.017 5.127 1.351 90 HE3 LYS 11 2HE LYS 11 10.508 6.729 0.820 91 HZ1 LYS 11 3HZ LYS 11 9.785 7.291 2.907 92 HZ2 LYS 11 1HZ LYS 11 11.104 6.306 3.295 93 HZ3 LYS 11 2HZ LYS 11 9.532 5.689 3.389 94 H ASN 12 H ASN 12 8.950 -0.507 2.321 95 HA ASN 12 HA ASN 12 6.890 -1.204 0.435 96 HB2 ASN 12 1HB ASN 12 8.103 -2.967 1.603 97 HB3 ASN 12 2HB ASN 12 7.560 -2.341 3.157 98 HD21 ASN 12 2HD2 ASN 12 5.829 -3.241 4.005 99 HD22 ASN 12 1HD2 ASN 12 4.644 -4.165 3.153 100 H GLU 13 H GLU 13 5.808 0.931 0.640 101 HA GLU 13 HA GLU 13 3.773 0.797 2.749 102 HB2 GLU 13 1HB GLU 13 3.876 3.216 3.075 103 HB3 GLU 13 2HB GLU 13 5.422 2.468 3.451 104 HG2 GLU 13 1HG GLU 13 6.039 4.340 2.259 105 HG3 GLU 13 2HG GLU 13 6.054 3.078 1.028 106 H CYS 14 H CYS 14 1.841 2.115 2.237 107 HA CYS 14 HA CYS 14 1.308 2.013 -0.648 108 HB2 CYS 14 1HB CYS 14 -0.132 0.657 0.880 109 HB3 CYS 14 2HB CYS 14 -0.680 2.153 1.627 110 HG CYS 14 HG CYS 14 -1.209 2.683 -1.467 111 H LYS 15 H LYS 15 1.745 3.934 -1.544 112 HA LYS 15 HA LYS 15 1.036 6.390 -0.129 113 HB2 LYS 15 1HB LYS 15 2.288 7.523 -1.938 114 HB3 LYS 15 2HB LYS 15 3.257 6.324 -1.091 115 HG2 LYS 15 1HG LYS 15 3.385 4.943 -2.896 116 HG3 LYS 15 2HG LYS 15 1.829 5.467 -3.546 117 HD2 LYS 15 1HD LYS 15 3.233 6.471 -5.045 118 HD3 LYS 15 2HD LYS 15 3.122 7.754 -3.838 119 HE2 LYS 15 1HE LYS 15 5.242 7.352 -3.025 120 HE3 LYS 15 2HE LYS 15 5.253 5.680 -3.582 121 HZ1 LYS 15 3HZ LYS 15 6.722 7.189 -4.863 122 HZ2 LYS 15 1HZ LYS 15 5.351 8.028 -5.395 123 HZ3 LYS 15 2HZ LYS 15 5.565 6.404 -5.816 124 H TYR 16 H TYR 16 -1.258 5.294 -0.652 125 HA TYR 16 HA TYR 16 -2.242 6.018 -3.281 126 HB2 TYR 16 1HB TYR 16 -4.250 4.922 -2.682 127 HB3 TYR 16 2HB TYR 16 -2.968 3.955 -1.962 128 HD1 TYR 16 2HD TYR 16 -2.462 4.301 0.512 129 HD2 TYR 16 1HD TYR 16 -5.977 5.799 -1.359 130 HE1 TYR 16 2HE TYR 16 -3.540 4.505 2.713 131 HE2 TYR 16 1HE TYR 16 -7.065 6.007 0.836 132 HH TYR 16 HH TYR 16 -5.976 6.306 3.408 133 H LYS 17 H LYS 17 -4.716 6.963 -2.920 134 HA LYS 17 HA LYS 17 -4.422 9.402 -1.300 135 HB2 LYS 17 1HB LYS 17 -5.407 10.730 -3.075 136 HB3 LYS 17 2HB LYS 17 -3.975 9.907 -3.679 137 HG2 LYS 17 1HG LYS 17 -6.036 8.152 -4.244 138 HG3 LYS 17 2HG LYS 17 -6.722 9.745 -4.571 139 HD2 LYS 17 1HD LYS 17 -4.614 10.220 -5.902 140 HD3 LYS 17 2HD LYS 17 -4.259 8.496 -5.769 141 HE2 LYS 17 1HE LYS 17 -5.603 8.082 -7.486 142 HE3 LYS 17 2HE LYS 17 -6.959 8.778 -6.601 143 HZ1 LYS 17 3HZ LYS 17 -5.077 10.200 -8.399 144 HZ2 LYS 17 1HZ LYS 17 -6.206 10.985 -7.415 145 HZ3 LYS 17 2HZ LYS 17 -6.731 9.945 -8.641 146 H ASN 18 H ASN 18 -6.121 9.868 -0.047 147 HA ASN 18 HA ASN 18 -8.640 8.422 -0.554 148 HB2 ASN 18 1HB ASN 18 -8.917 8.002 1.704 149 HB3 ASN 18 2HB ASN 18 -7.167 7.888 1.554 150 HD21 ASN 18 2HD2 ASN 18 -6.044 10.080 1.836 151 HD22 ASN 18 1HD2 ASN 18 -6.582 11.025 3.179 152 H ASP 19 H ASP 19 -10.519 9.539 0.679 153 HA ASP 19 HA ASP 19 -11.866 11.353 1.000 154 HB2 ASP 19 1HB ASP 19 -9.702 12.249 2.123 155 HB3 ASP 19 2HB ASP 19 -9.522 13.201 0.652 156 H ALA 20 H ALA 20 -9.361 12.644 -1.185 157 HA ALA 20 HA ALA 20 -10.849 12.339 -3.552 158 HB1 ALA 20 1HB ALA 20 -12.389 13.938 -2.681 159 HB2 ALA 20 2HB ALA 20 -11.082 15.033 -2.224 160 HB3 ALA 20 3HB ALA 20 -11.433 14.742 -3.928 161 H GLY 21 H GLY 21 -8.182 11.963 -2.746 162 HA2 GLY 21 1HA GLY 21 -6.371 12.226 -4.375 163 HA3 GLY 21 2HA GLY 21 -6.822 13.921 -4.491 164 H LYS 22 H LYS 22 -6.967 12.673 -1.334 165 HA LYS 22 HA LYS 22 -4.746 14.328 -0.525 166 HB2 LYS 22 1HB LYS 22 -7.083 13.229 0.709 167 HB3 LYS 22 2HB LYS 22 -5.674 12.755 1.647 168 HG2 LYS 22 1HG LYS 22 -5.298 15.459 1.067 169 HG3 LYS 22 2HG LYS 22 -7.002 15.298 1.498 170 HD2 LYS 22 1HD LYS 22 -6.225 13.986 3.521 171 HD3 LYS 22 2HD LYS 22 -4.590 14.525 3.127 172 HE2 LYS 22 1HE LYS 22 -4.962 16.573 3.944 173 HE3 LYS 22 2HE LYS 22 -6.527 16.699 3.142 174 HZ1 LYS 22 3HZ LYS 22 -6.148 16.452 5.811 175 HZ2 LYS 22 1HZ LYS 22 -6.529 14.868 5.354 176 HZ3 LYS 22 2HZ LYS 22 -7.596 16.131 4.997 177 H ASP 23 H ASP 23 -2.747 13.578 -0.799 178 HA ASP 23 HA ASP 23 -1.967 10.940 -1.133 179 HB2 ASP 23 1HB ASP 23 -0.661 13.494 -0.766 180 HB3 ASP 23 2HB ASP 23 0.217 12.222 0.079 181 H THR 24 H THR 24 -1.881 9.262 0.191 182 HA THR 24 HA THR 24 -1.514 9.746 3.073 183 HB THR 24 HB THR 24 -3.413 7.751 1.825 184 HG1 THR 24 1HG THR 24 -3.725 10.221 3.150 185 HG21 THR 24 3HG2 THR 24 -4.021 7.176 4.127 186 HG22 THR 24 1HG2 THR 24 -2.769 8.260 4.731 187 HG23 THR 24 2HG2 THR 24 -2.323 6.824 3.810 188 H PHE 25 H PHE 25 -0.042 8.489 4.066 189 HA PHE 25 HA PHE 25 1.065 6.219 2.547 190 HB2 PHE 25 1HB PHE 25 2.571 8.170 4.303 191 HB3 PHE 25 2HB PHE 25 3.271 6.756 3.520 192 HD1 PHE 25 2HD PHE 25 1.586 9.986 2.836 193 HD2 PHE 25 1HD PHE 25 4.075 6.877 1.335 194 HE1 PHE 25 2HE PHE 25 2.057 11.334 0.833 195 HE2 PHE 25 1HE PHE 25 4.551 8.221 -0.669 196 HZ PHE 25 HZ PHE 25 3.541 10.452 -0.925 197 H ILE 26 H ILE 26 1.366 4.337 3.621 198 HA ILE 26 HA ILE 26 1.442 4.200 6.490 199 HB ILE 26 HB ILE 26 -0.954 4.403 6.238 200 HG12 ILE 26 1HG1 ILE 26 -1.660 2.296 7.292 201 HG13 ILE 26 2HG1 ILE 26 -0.167 1.528 6.764 202 HG21 ILE 26 1HG2 ILE 26 -2.283 2.993 4.862 203 HG22 ILE 26 2HG2 ILE 26 -0.975 3.612 3.855 204 HG23 ILE 26 3HG2 ILE 26 -0.904 1.963 4.477 205 HD11 ILE 26 3HD1 ILE 26 1.063 2.497 8.385 206 HD12 ILE 26 1HD1 ILE 26 0.111 3.981 8.379 207 HD13 ILE 26 2HD1 ILE 26 -0.500 2.545 9.199 208 H LYS 27 H LYS 27 2.810 2.623 6.965 209 HA LYS 27 HA LYS 27 3.884 0.855 5.085 210 HB2 LYS 27 1HB LYS 27 4.200 1.406 7.899 211 HB3 LYS 27 2HB LYS 27 4.238 -0.329 7.612 212 HG2 LYS 27 1HG LYS 27 6.065 -0.121 6.105 213 HG3 LYS 27 2HG LYS 27 5.931 1.639 6.094 214 HD2 LYS 27 1HD LYS 27 7.701 1.281 7.547 215 HD3 LYS 27 2HD LYS 27 6.331 1.432 8.650 216 HE2 LYS 27 1HE LYS 27 6.857 -0.554 9.493 217 HE3 LYS 27 2HE LYS 27 6.459 -1.277 7.936 218 HZ1 LYS 27 3HZ LYS 27 8.738 -1.771 8.808 219 HZ2 LYS 27 1HZ LYS 27 9.128 -0.145 8.549 220 HZ3 LYS 27 2HZ LYS 27 8.696 -1.130 7.244 221 H CYS 28 H CYS 28 3.274 -1.074 4.331 222 HA CYS 28 HA CYS 28 0.734 -2.162 5.155 223 HB2 CYS 28 1HB CYS 28 2.670 -3.341 3.159 224 HB3 CYS 28 2HB CYS 28 0.939 -3.639 3.281 225 HG CYS 28 HG CYS 28 2.512 -1.399 1.499 226 HA PRO 29 HA PRO 29 2.131 -5.264 7.925 227 HB2 PRO 29 1HB PRO 29 0.323 -7.234 7.454 228 HB3 PRO 29 2HB PRO 29 -0.083 -5.743 8.311 229 HG2 PRO 29 1HG PRO 29 -0.560 -6.471 5.447 230 HG3 PRO 29 2HG PRO 29 -1.645 -5.661 6.591 231 HD2 PRO 29 1HD PRO 29 -0.233 -4.311 4.716 232 HD3 PRO 29 2HD PRO 29 -0.627 -3.613 6.300 233 H LYS 30 H LYS 30 4.154 -5.655 6.816 234 HA LYS 30 HA LYS 30 4.238 -8.333 5.655 235 HB2 LYS 30 1HB LYS 30 5.320 -5.850 4.334 236 HB3 LYS 30 2HB LYS 30 5.911 -7.457 3.937 237 HG2 LYS 30 1HG LYS 30 3.055 -6.536 3.672 238 HG3 LYS 30 2HG LYS 30 4.221 -6.669 2.353 239 HD2 LYS 30 1HD LYS 30 4.436 -9.088 2.851 240 HD3 LYS 30 2HD LYS 30 3.174 -8.917 4.072 241 HE2 LYS 30 1HE LYS 30 1.930 -7.804 1.967 242 HE3 LYS 30 2HE LYS 30 2.983 -8.938 1.123 243 HZ1 LYS 30 3HZ LYS 30 0.777 -9.858 1.702 244 HZ2 LYS 30 1HZ LYS 30 1.163 -9.698 3.342 245 HZ3 LYS 30 2HZ LYS 30 2.060 -10.742 2.361 246 H PHE 31 H PHE 31 4.990 -8.397 8.013 247 HA PHE 31 HA PHE 31 7.672 -7.434 8.492 248 HB2 PHE 31 1HB PHE 31 5.586 -8.841 10.090 249 HB3 PHE 31 2HB PHE 31 7.262 -8.995 10.607 250 HD1 PHE 31 2HD PHE 31 8.511 -7.048 11.375 251 HD2 PHE 31 1HD PHE 31 4.412 -6.760 10.267 252 HE1 PHE 31 2HE PHE 31 8.363 -4.867 12.502 253 HE2 PHE 31 1HE PHE 31 4.258 -4.576 11.392 254 HZ PHE 31 HZ PHE 31 6.236 -3.629 12.513 255 H ASP 32 H ASP 32 8.557 -8.623 6.615 256 HA ASP 32 HA ASP 32 9.871 -10.275 5.767 257 HB2 ASP 32 1HB ASP 32 9.804 -11.639 8.449 258 HB3 ASP 32 2HB ASP 32 11.096 -11.633 7.252 259 H ASN 33 H ASN 33 8.212 -11.026 4.406 260 HA ASN 33 HA ASN 33 7.612 -13.752 4.606 261 HB2 ASN 33 1HB ASN 33 5.956 -12.336 6.270 262 HB3 ASN 33 2HB ASN 33 4.997 -12.423 4.796 263 HD21 ASN 33 2HD2 ASN 33 4.452 -14.480 3.956 264 HD22 ASN 33 1HD2 ASN 33 4.416 -15.871 4.980 265 H LYS 34 H LYS 34 6.704 -10.611 3.326 266 HA LYS 34 HA LYS 34 7.009 -11.403 0.646 267 HB2 LYS 34 1HB LYS 34 4.744 -12.480 1.437 268 HB3 LYS 34 2HB LYS 34 4.122 -10.852 1.208 269 HG2 LYS 34 1HG LYS 34 5.520 -11.301 -1.111 270 HG3 LYS 34 2HG LYS 34 4.816 -12.881 -0.754 271 HD2 LYS 34 1HD LYS 34 3.080 -10.476 -0.517 272 HD3 LYS 34 2HD LYS 34 3.494 -11.050 -2.133 273 HE2 LYS 34 1HE LYS 34 2.615 -13.103 -0.202 274 HE3 LYS 34 2HE LYS 34 1.387 -11.951 -0.724 275 HZ1 LYS 34 3HZ LYS 34 2.610 -14.103 -2.180 276 HZ2 LYS 34 1HZ LYS 34 2.607 -12.646 -3.040 277 HZ3 LYS 34 2HZ LYS 34 1.153 -13.294 -2.469 278 H LYS 35 H LYS 35 8.158 -9.352 1.692 279 HA LYS 35 HA LYS 35 6.594 -6.935 1.576 280 HB2 LYS 35 1HB LYS 35 9.592 -7.298 1.751 281 HB3 LYS 35 2HB LYS 35 8.718 -5.794 2.012 282 HG2 LYS 35 1HG LYS 35 7.931 -6.442 4.061 283 HG3 LYS 35 2HG LYS 35 8.016 -8.161 3.672 284 HD2 LYS 35 1HD LYS 35 9.742 -7.758 5.238 285 HD3 LYS 35 2HD LYS 35 10.534 -7.901 3.667 286 HE2 LYS 35 1HE LYS 35 10.609 -5.457 3.493 287 HE3 LYS 35 2HE LYS 35 9.827 -5.323 5.067 288 HZ1 LYS 35 3HZ LYS 35 12.384 -5.155 4.899 289 HZ2 LYS 35 1HZ LYS 35 12.332 -6.843 4.804 290 HZ3 LYS 35 2HZ LYS 35 11.698 -6.053 6.159 291 H CYS 36 H CYS 36 7.120 -5.137 0.143 292 HA CYS 36 HA CYS 36 6.930 -5.758 -2.538 293 HB2 CYS 36 1HB CYS 36 7.340 -3.433 -2.996 294 HB3 CYS 36 2HB CYS 36 6.424 -3.538 -1.497 295 HG CYS 36 HG CYS 36 9.423 -3.558 -0.454 296 H THR 37 H THR 37 8.399 -5.566 -4.301 297 HA THR 37 HA THR 37 11.232 -5.402 -3.801 298 HB THR 37 HB THR 37 10.772 -7.757 -3.205 299 HG1 THR 37 1HG THR 37 12.577 -8.360 -4.191 300 HG21 THR 37 3HG2 THR 37 10.367 -8.870 -5.781 301 HG22 THR 37 1HG2 THR 37 9.126 -7.643 -5.530 302 HG23 THR 37 2HG2 THR 37 9.309 -8.963 -4.373 303 H LYS 38 H LYS 38 9.444 -3.896 -5.377 304 HA LYS 38 HA LYS 38 10.841 -3.700 -7.781 305 HB2 LYS 38 1HB LYS 38 9.881 -5.733 -8.535 306 HB3 LYS 38 2HB LYS 38 8.289 -5.295 -7.929 307 HG2 LYS 38 1HG LYS 38 7.909 -3.790 -9.669 308 HG3 LYS 38 2HG LYS 38 9.620 -3.711 -10.095 309 HD2 LYS 38 1HD LYS 38 8.224 -6.336 -10.276 310 HD3 LYS 38 2HD LYS 38 7.916 -5.128 -11.525 311 HE2 LYS 38 1HE LYS 38 10.377 -4.947 -11.860 312 HE3 LYS 38 2HE LYS 38 10.585 -6.282 -10.727 313 HZ1 LYS 38 3HZ LYS 38 10.500 -6.765 -13.243 314 HZ2 LYS 38 1HZ LYS 38 8.825 -6.597 -13.067 315 HZ3 LYS 38 2HZ LYS 38 9.653 -7.781 -12.187 316 H ASP 39 H ASP 39 10.576 -1.668 -8.426 317 HA ASP 39 HA ASP 39 8.909 0.162 -7.208 318 HB2 ASP 39 1HB ASP 39 9.292 1.509 -9.407 319 HB3 ASP 39 2HB ASP 39 10.672 1.117 -8.386 320 H ASN 40 H ASN 40 6.802 0.547 -7.283 321 HA ASN 40 HA ASN 40 4.618 0.515 -7.916 322 HB2 ASN 40 1HB ASN 40 5.996 0.645 -10.588 323 HB3 ASN 40 2HB ASN 40 4.240 0.568 -10.473 324 HD21 ASN 40 2HD2 ASN 40 6.589 2.228 -8.418 325 HD22 ASN 40 1HD2 ASN 40 5.959 3.815 -8.680 326 H ASN 41 H ASN 41 4.758 -1.696 -6.915 327 HA ASN 41 HA ASN 41 4.560 -3.897 -8.818 328 HB2 ASN 41 1HB ASN 41 5.288 -3.628 -6.030 329 HB3 ASN 41 2HB ASN 41 4.053 -4.868 -6.234 330 HD21 ASN 41 2HD2 ASN 41 6.400 -5.696 -5.345 331 HD22 ASN 41 1HD2 ASN 41 7.287 -6.531 -6.570 332 H LYS 42 H LYS 42 2.703 -3.377 -5.845 333 HA LYS 42 HA LYS 42 0.230 -2.796 -6.988 334 HB2 LYS 42 1HB LYS 42 0.202 -4.897 -8.083 335 HB3 LYS 42 2HB LYS 42 0.802 -5.734 -6.657 336 HG2 LYS 42 1HG LYS 42 -1.251 -5.700 -5.607 337 HG3 LYS 42 2HG LYS 42 -1.832 -4.332 -6.561 338 HD2 LYS 42 1HD LYS 42 -1.595 -5.984 -8.564 339 HD3 LYS 42 2HD LYS 42 -1.641 -7.222 -7.307 340 HE2 LYS 42 1HE LYS 42 -3.705 -5.164 -7.036 341 HE3 LYS 42 2HE LYS 42 -3.826 -6.110 -8.519 342 HZ1 LYS 42 3HZ LYS 42 -4.942 -7.519 -7.200 343 HZ2 LYS 42 1HZ LYS 42 -4.265 -6.914 -5.772 344 HZ3 LYS 42 2HZ LYS 42 -3.405 -8.028 -6.710 345 H CYS 43 H CYS 43 -1.318 -2.432 -5.437 346 HA CYS 43 HA CYS 43 -1.015 -3.514 -2.772 347 HB2 CYS 43 1HB CYS 43 0.441 -1.349 -3.093 348 HB3 CYS 43 2HB CYS 43 -1.106 -0.526 -2.933 349 HG CYS 43 HG CYS 43 0.588 -2.328 -0.602 350 H THR 44 H THR 44 -2.806 -2.820 -1.333 351 HA THR 44 HA THR 44 -5.141 -1.710 -2.671 352 HB THR 44 HB THR 44 -6.007 -4.051 -1.240 353 HG1 THR 44 1HG THR 44 -3.743 -4.559 -2.239 354 HG21 THR 44 3HG2 THR 44 -7.263 -2.761 -2.960 355 HG22 THR 44 1HG2 THR 44 -7.210 -4.494 -3.282 356 HG23 THR 44 2HG2 THR 44 -6.163 -3.397 -4.183 357 H VAL 45 H VAL 45 -6.769 -0.998 -1.240 358 HA VAL 45 HA VAL 45 -6.339 -1.285 1.620 359 HB VAL 45 HB VAL 45 -6.325 1.433 0.298 360 HG11 VAL 45 1HG1 VAL 45 -6.283 0.662 3.213 361 HG12 VAL 45 2HG1 VAL 45 -6.028 2.293 2.591 362 HG13 VAL 45 3HG1 VAL 45 -7.585 1.493 2.362 363 HG21 VAL 45 3HG2 VAL 45 -4.174 0.365 0.096 364 HG22 VAL 45 1HG2 VAL 45 -4.078 1.620 1.332 365 HG23 VAL 45 2HG2 VAL 45 -4.190 -0.076 1.804 366 H ASP 46 H ASP 46 -8.260 -1.723 2.456 367 HA ASP 46 HA ASP 46 -10.664 -0.701 1.114 368 HB2 ASP 46 1HB ASP 46 -10.191 -3.062 2.926 369 HB3 ASP 46 2HB ASP 46 -11.812 -2.472 2.569 370 H THR 47 H THR 47 -12.399 0.152 2.362 371 HA THR 47 HA THR 47 -11.465 1.663 4.667 372 HB THR 47 HB THR 47 -13.586 2.890 4.490 373 HG1 THR 47 1HG THR 47 -15.176 2.208 3.222 374 HG21 THR 47 3HG2 THR 47 -12.187 4.057 3.153 375 HG22 THR 47 1HG2 THR 47 -13.204 3.423 1.859 376 HG23 THR 47 2HG2 THR 47 -11.683 2.625 2.257 377 H TYR 48 H TYR 48 -13.225 -1.176 4.024 378 HA TYR 48 HA TYR 48 -15.129 -1.293 6.014 379 HB2 TYR 48 1HB TYR 48 -14.978 -3.055 4.391 380 HB3 TYR 48 2HB TYR 48 -13.351 -3.475 4.915 381 HD1 TYR 48 1HD TYR 48 -16.853 -3.292 6.191 382 HD2 TYR 48 2HD TYR 48 -13.057 -5.199 6.441 383 HE1 TYR 48 1HE TYR 48 -17.791 -4.940 7.757 384 HE2 TYR 48 2HE TYR 48 -13.985 -6.853 8.007 385 HH TYR 48 HH TYR 48 -15.890 -7.687 8.889 386 H ASN 49 H ASN 49 -11.747 -2.402 6.258 387 HA ASN 49 HA ASN 49 -11.694 -1.612 9.052 388 HB2 ASN 49 1HB ASN 49 -10.862 -3.824 9.798 389 HB3 ASN 49 2HB ASN 49 -12.520 -3.893 9.208 390 HD21 ASN 49 2HD2 ASN 49 -11.746 -6.226 9.191 391 HD22 ASN 49 1HD2 ASN 49 -11.086 -6.796 7.699 392 H ASN 50 H ASN 50 -10.377 -0.566 6.797 393 HA ASN 50 HA ASN 50 -8.322 0.004 5.990 394 HB2 ASN 50 1HB ASN 50 -7.893 -0.460 8.914 395 HB3 ASN 50 2HB ASN 50 -6.496 -0.134 7.892 396 HD21 ASN 50 2HD2 ASN 50 -6.341 1.866 6.835 397 HD22 ASN 50 1HD2 ASN 50 -7.237 3.241 7.378 398 H ALA 51 H ALA 51 -8.802 -2.304 4.942 399 HA ALA 51 HA ALA 51 -6.891 -4.337 5.677 400 HB1 ALA 51 1HB ALA 51 -8.555 -4.263 3.172 401 HB2 ALA 51 2HB ALA 51 -7.866 -5.669 3.985 402 HB3 ALA 51 3HB ALA 51 -9.193 -4.780 4.733 403 H VAL 52 H VAL 52 -4.931 -3.126 5.441 404 HA VAL 52 HA VAL 52 -4.179 -2.106 2.854 405 HB VAL 52 HB VAL 52 -2.436 -2.556 5.280 406 HG11 VAL 52 1HG1 VAL 52 -0.925 -0.976 4.260 407 HG12 VAL 52 2HG1 VAL 52 -1.240 -2.292 3.128 408 HG13 VAL 52 3HG1 VAL 52 -2.035 -0.732 2.911 409 HG21 VAL 52 3HG2 VAL 52 -2.966 0.171 4.970 410 HG22 VAL 52 1HG2 VAL 52 -4.524 -0.636 4.785 411 HG23 VAL 52 2HG2 VAL 52 -3.563 -0.896 6.241 412 H ASP 53 H ASP 53 -4.145 -3.769 1.385 413 HA ASP 53 HA ASP 53 -2.753 -6.233 1.948 414 HB2 ASP 53 1HB ASP 53 -4.688 -5.356 0.062 415 HB3 ASP 53 2HB ASP 53 -3.286 -5.917 -0.845 416 H CYS 54 H CYS 54 -1.408 -6.885 -0.280 417 HA CYS 54 HA CYS 54 0.353 -4.853 -1.217 418 HB2 CYS 54 1HB CYS 54 1.003 -5.901 1.296 419 HB3 CYS 54 2HB CYS 54 2.075 -6.726 0.171 420 HG CYS 54 HG CYS 54 3.314 -4.488 -0.781 421 H ASP 55 H ASP 55 1.584 -5.536 -2.945 422 HA ASP 55 HA ASP 55 0.716 -7.674 -4.454 423 HB2 ASP 55 1HB ASP 55 2.229 -6.975 -5.988 424 HB3 ASP 55 2HB ASP 55 2.443 -5.623 -4.879 Start of MODEL 8 1 H1 ALA 1 H ALA 1 -15.563 1.467 -1.072 2 HA ALA 1 HA ALA 1 -14.826 4.051 -1.395 3 HB1 ALA 1 1HB ALA 1 -14.148 4.707 0.980 4 HB2 ALA 1 2HB ALA 1 -15.854 4.841 0.553 5 HB3 ALA 1 3HB ALA 1 -15.290 3.473 1.513 6 H LYS 2 H LYS 2 -13.810 1.648 -2.150 7 HA LYS 2 HA LYS 2 -11.529 0.928 -0.546 8 HB2 LYS 2 1HB LYS 2 -12.079 0.118 -3.400 9 HB3 LYS 2 2HB LYS 2 -11.066 -0.711 -2.225 10 HG2 LYS 2 1HG LYS 2 -13.111 -1.144 -0.871 11 HG3 LYS 2 2HG LYS 2 -14.065 -0.470 -2.195 12 HD2 LYS 2 1HD LYS 2 -12.127 -2.724 -2.626 13 HD3 LYS 2 2HD LYS 2 -13.788 -3.014 -2.105 14 HE2 LYS 2 1HE LYS 2 -14.663 -2.019 -4.084 15 HE3 LYS 2 2HE LYS 2 -13.077 -1.409 -4.552 16 HZ1 LYS 2 3HZ LYS 2 -12.541 -3.344 -5.485 17 HZ2 LYS 2 1HZ LYS 2 -14.187 -3.729 -5.404 18 HZ3 LYS 2 2HZ LYS 2 -13.133 -4.257 -4.190 19 H TYR 3 H TYR 3 -9.345 0.756 -1.737 20 HA TYR 3 HA TYR 3 -8.834 3.000 -3.524 21 HB2 TYR 3 1HB TYR 3 -7.243 2.694 -0.976 22 HB3 TYR 3 2HB TYR 3 -7.147 4.000 -2.152 23 HD1 TYR 3 2HD TYR 3 -9.234 5.474 -2.442 24 HD2 TYR 3 1HD TYR 3 -8.653 2.876 0.877 25 HE1 TYR 3 2HE TYR 3 -10.888 6.760 -1.153 26 HE2 TYR 3 1HE TYR 3 -10.306 4.154 2.174 27 HH TYR 3 HH TYR 3 -12.383 6.442 0.757 28 H THR 4 H THR 4 -6.305 3.033 -3.938 29 HA THR 4 HA THR 4 -5.060 0.432 -3.865 30 HB THR 4 HB THR 4 -4.824 1.001 -6.582 31 HG1 THR 4 1HG THR 4 -7.591 0.971 -5.992 32 HG21 THR 4 3HG2 THR 4 -6.890 -0.949 -5.740 33 HG22 THR 4 1HG2 THR 4 -5.271 -1.170 -5.080 34 HG23 THR 4 2HG2 THR 4 -5.516 -1.152 -6.826 35 H GLY 5 H GLY 5 -2.848 0.475 -4.436 36 HA2 GLY 5 1HA GLY 5 -1.648 2.938 -5.360 37 HA3 GLY 5 2HA GLY 5 -1.332 2.577 -3.669 38 H LYS 6 H LYS 6 0.920 2.637 -4.592 39 HA LYS 6 HA LYS 6 1.735 -0.104 -5.158 40 HB2 LYS 6 1HB LYS 6 2.860 2.145 -6.816 41 HB3 LYS 6 2HB LYS 6 3.036 0.413 -7.068 42 HG2 LYS 6 1HG LYS 6 0.552 0.342 -7.491 43 HG3 LYS 6 2HG LYS 6 0.594 2.106 -7.515 44 HD2 LYS 6 1HD LYS 6 2.685 1.219 -9.185 45 HD3 LYS 6 2HD LYS 6 1.265 0.255 -9.593 46 HE2 LYS 6 1HE LYS 6 -0.027 2.394 -9.755 47 HE3 LYS 6 2HE LYS 6 1.497 3.260 -9.563 48 HZ1 LYS 6 3HZ LYS 6 1.731 3.092 -11.748 49 HZ2 LYS 6 1HZ LYS 6 0.399 2.058 -11.890 50 HZ3 LYS 6 2HZ LYS 6 1.932 1.421 -11.566 51 H CYS 7 H CYS 7 3.802 -0.609 -4.449 52 HA CYS 7 HA CYS 7 4.908 1.259 -2.520 53 HB2 CYS 7 1HB CYS 7 5.552 -1.623 -3.159 54 HB3 CYS 7 2HB CYS 7 6.397 -0.684 -1.935 55 HG CYS 7 HG CYS 7 3.546 -0.171 -0.899 56 H THR 8 H THR 8 7.422 1.187 -2.377 57 HA THR 8 HA THR 8 8.527 1.558 -5.084 58 HB THR 8 HB THR 8 9.746 3.480 -4.405 59 HG1 THR 8 1HG THR 8 10.405 3.506 -2.398 60 HG21 THR 8 3HG2 THR 8 7.038 3.491 -4.531 61 HG22 THR 8 1HG2 THR 8 8.026 4.942 -4.359 62 HG23 THR 8 2HG2 THR 8 7.296 4.198 -2.936 63 H LYS 9 H LYS 9 8.794 -0.862 -3.885 64 HA LYS 9 HA LYS 9 10.346 -2.442 -3.368 65 HB2 LYS 9 1HB LYS 9 11.936 -0.233 -4.505 66 HB3 LYS 9 2HB LYS 9 12.840 -1.359 -3.500 67 HG2 LYS 9 1HG LYS 9 12.140 -3.213 -4.882 68 HG3 LYS 9 2HG LYS 9 11.128 -2.139 -5.852 69 HD2 LYS 9 1HD LYS 9 12.860 -1.550 -7.122 70 HD3 LYS 9 2HD LYS 9 13.828 -1.141 -5.703 71 HE2 LYS 9 1HE LYS 9 14.439 -3.497 -5.447 72 HE3 LYS 9 2HE LYS 9 13.468 -3.905 -6.860 73 HZ1 LYS 9 3HZ LYS 9 15.404 -1.827 -7.339 74 HZ2 LYS 9 1HZ LYS 9 15.063 -3.219 -8.240 75 HZ3 LYS 9 2HZ LYS 9 16.098 -3.308 -6.905 76 H SER 10 H SER 10 12.302 0.267 -2.221 77 HA SER 10 HA SER 10 12.822 -0.918 0.276 78 HB2 SER 10 1HB SER 10 13.860 1.199 0.877 79 HB3 SER 10 2HB SER 10 14.268 0.800 -0.791 80 HG SER 10 HG SER 10 12.807 2.897 0.210 81 H LYS 11 H LYS 11 10.625 1.724 -0.630 82 HA LYS 11 HA LYS 11 9.492 1.775 2.046 83 HB2 LYS 11 1HB LYS 11 9.700 3.618 -0.124 84 HB3 LYS 11 2HB LYS 11 7.995 3.391 0.242 85 HG2 LYS 11 1HG LYS 11 10.139 4.221 2.186 86 HG3 LYS 11 2HG LYS 11 8.893 5.259 1.488 87 HD2 LYS 11 1HD LYS 11 7.490 4.687 3.115 88 HD3 LYS 11 2HD LYS 11 7.628 2.989 2.654 89 HE2 LYS 11 1HE LYS 11 9.918 4.023 4.162 90 HE3 LYS 11 2HE LYS 11 8.398 4.039 5.054 91 HZ1 LYS 11 3HZ LYS 11 8.285 1.612 4.028 92 HZ2 LYS 11 1HZ LYS 11 9.040 1.936 5.506 93 HZ3 LYS 11 2HZ LYS 11 9.967 1.777 4.100 94 H ASN 12 H ASN 12 8.441 -0.197 2.242 95 HA ASN 12 HA ASN 12 6.548 -1.086 0.269 96 HB2 ASN 12 1HB ASN 12 7.821 -2.694 1.633 97 HB3 ASN 12 2HB ASN 12 7.040 -2.079 3.087 98 HD21 ASN 12 2HD2 ASN 12 5.773 -3.659 3.767 99 HD22 ASN 12 1HD2 ASN 12 4.604 -4.496 2.810 100 H GLU 13 H GLU 13 5.607 1.276 0.619 101 HA GLU 13 HA GLU 13 3.391 1.036 2.548 102 HB2 GLU 13 1HB GLU 13 3.352 3.437 2.745 103 HB3 GLU 13 2HB GLU 13 4.987 2.871 3.060 104 HG2 GLU 13 1HG GLU 13 5.498 3.414 0.646 105 HG3 GLU 13 2HG GLU 13 3.942 4.241 0.603 106 H CYS 14 H CYS 14 1.331 1.779 1.895 107 HA CYS 14 HA CYS 14 0.871 1.479 -0.960 108 HB2 CYS 14 1HB CYS 14 -0.570 0.212 0.510 109 HB3 CYS 14 2HB CYS 14 -1.027 1.669 1.385 110 HG CYS 14 HG CYS 14 -1.854 2.444 -1.560 111 H LYS 15 H LYS 15 0.808 3.176 -2.259 112 HA LYS 15 HA LYS 15 0.202 5.816 -1.131 113 HB2 LYS 15 1HB LYS 15 2.282 5.853 -2.256 114 HB3 LYS 15 2HB LYS 15 1.656 4.930 -3.615 115 HG2 LYS 15 1HG LYS 15 0.236 7.433 -3.215 116 HG3 LYS 15 2HG LYS 15 1.962 7.658 -3.509 117 HD2 LYS 15 1HD LYS 15 0.718 5.683 -5.269 118 HD3 LYS 15 2HD LYS 15 0.046 7.308 -5.441 119 HE2 LYS 15 1HE LYS 15 1.872 7.054 -6.982 120 HE3 LYS 15 2HE LYS 15 2.354 8.177 -5.710 121 HZ1 LYS 15 3HZ LYS 15 3.983 6.347 -6.420 122 HZ2 LYS 15 1HZ LYS 15 3.009 5.309 -5.503 123 HZ3 LYS 15 2HZ LYS 15 3.768 6.629 -4.766 124 H TYR 16 H TYR 16 -1.971 6.054 -1.165 125 HA TYR 16 HA TYR 16 -3.273 5.891 -3.795 126 HB2 TYR 16 1HB TYR 16 -5.235 4.894 -2.876 127 HB3 TYR 16 2HB TYR 16 -3.871 3.938 -2.304 128 HD1 TYR 16 2HD TYR 16 -3.099 4.185 0.053 129 HD2 TYR 16 1HD TYR 16 -6.655 6.049 -1.356 130 HE1 TYR 16 2HE TYR 16 -3.847 4.497 2.374 131 HE2 TYR 16 1HE TYR 16 -7.413 6.368 0.962 132 HH TYR 16 HH TYR 16 -5.785 4.899 3.646 133 H LYS 17 H LYS 17 -5.572 6.984 -3.551 134 HA LYS 17 HA LYS 17 -5.091 9.593 -2.277 135 HB2 LYS 17 1HB LYS 17 -5.340 9.656 -4.722 136 HB3 LYS 17 2HB LYS 17 -6.913 8.883 -4.586 137 HG2 LYS 17 1HG LYS 17 -7.360 10.973 -3.002 138 HG3 LYS 17 2HG LYS 17 -6.113 11.677 -4.035 139 HD2 LYS 17 1HD LYS 17 -8.412 10.211 -5.262 140 HD3 LYS 17 2HD LYS 17 -8.625 11.872 -4.707 141 HE2 LYS 17 1HE LYS 17 -7.383 12.721 -6.382 142 HE3 LYS 17 2HE LYS 17 -6.213 11.404 -6.315 143 HZ1 LYS 17 3HZ LYS 17 -8.039 10.022 -7.392 144 HZ2 LYS 17 1HZ LYS 17 -7.256 11.163 -8.366 145 HZ3 LYS 17 2HZ LYS 17 -8.795 11.493 -7.747 146 H ASN 18 H ASN 18 -6.444 10.337 -0.752 147 HA ASN 18 HA ASN 18 -8.979 8.908 -0.321 148 HB2 ASN 18 1HB ASN 18 -8.619 8.679 1.966 149 HB3 ASN 18 2HB ASN 18 -7.014 8.370 1.308 150 HD21 ASN 18 2HD2 ASN 18 -5.729 10.504 1.000 151 HD22 ASN 18 1HD2 ASN 18 -5.729 11.553 2.372 152 H ASP 19 H ASP 19 -10.530 10.157 1.023 153 HA ASP 19 HA ASP 19 -11.713 12.038 1.536 154 HB2 ASP 19 1HB ASP 19 -9.391 12.783 2.396 155 HB3 ASP 19 2HB ASP 19 -9.304 13.730 0.913 156 H ALA 20 H ALA 20 -9.452 13.307 -0.906 157 HA ALA 20 HA ALA 20 -11.122 13.079 -3.123 158 HB1 ALA 20 1HB ALA 20 -11.526 15.574 -1.517 159 HB2 ALA 20 2HB ALA 20 -11.755 15.576 -3.266 160 HB3 ALA 20 3HB ALA 20 -12.728 14.512 -2.250 161 H GLY 21 H GLY 21 -8.378 12.860 -2.547 162 HA2 GLY 21 1HA GLY 21 -6.873 13.457 -4.498 163 HA3 GLY 21 2HA GLY 21 -7.233 15.122 -4.062 164 H LYS 22 H LYS 22 -7.152 13.517 -1.221 165 HA LYS 22 HA LYS 22 -4.549 14.560 -0.563 166 HB2 LYS 22 1HB LYS 22 -6.710 13.169 1.001 167 HB3 LYS 22 2HB LYS 22 -5.130 13.481 1.708 168 HG2 LYS 22 1HG LYS 22 -5.749 15.929 0.721 169 HG3 LYS 22 2HG LYS 22 -7.347 15.315 1.152 170 HD2 LYS 22 1HD LYS 22 -6.725 16.259 3.145 171 HD3 LYS 22 2HD LYS 22 -6.109 14.621 3.374 172 HE2 LYS 22 1HE LYS 22 -4.115 15.524 3.770 173 HE3 LYS 22 2HE LYS 22 -4.059 15.981 2.068 174 HZ1 LYS 22 3HZ LYS 22 -3.684 17.940 3.275 175 HZ2 LYS 22 1HZ LYS 22 -4.935 17.624 4.369 176 HZ3 LYS 22 2HZ LYS 22 -5.295 18.048 2.772 177 H ASP 23 H ASP 23 -2.683 13.482 -0.464 178 HA ASP 23 HA ASP 23 -2.565 10.759 -1.354 179 HB2 ASP 23 1HB ASP 23 -0.132 11.018 -1.136 180 HB3 ASP 23 2HB ASP 23 -0.842 12.374 -2.008 181 H THR 24 H THR 24 -1.928 8.945 -0.214 182 HA THR 24 HA THR 24 -1.620 9.213 2.693 183 HB THR 24 HB THR 24 -3.479 7.235 1.359 184 HG1 THR 24 1HG THR 24 -4.101 9.356 3.155 185 HG21 THR 24 3HG2 THR 24 -2.858 7.683 4.281 186 HG22 THR 24 1HG2 THR 24 -2.359 6.290 3.321 187 HG23 THR 24 2HG2 THR 24 -4.069 6.572 3.643 188 H PHE 25 H PHE 25 0.003 8.032 3.482 189 HA PHE 25 HA PHE 25 0.953 5.721 1.933 190 HB2 PHE 25 1HB PHE 25 2.748 7.774 3.241 191 HB3 PHE 25 2HB PHE 25 3.265 6.367 2.316 192 HD1 PHE 25 2HD PHE 25 1.581 9.642 2.086 193 HD2 PHE 25 1HD PHE 25 3.388 6.427 -0.038 194 HE1 PHE 25 2HE PHE 25 1.558 10.993 0.030 195 HE2 PHE 25 1HE PHE 25 3.370 7.772 -2.098 196 HZ PHE 25 HZ PHE 25 2.453 10.058 -2.066 197 H ILE 26 H ILE 26 1.031 3.939 3.119 198 HA ILE 26 HA ILE 26 1.789 4.081 5.929 199 HB ILE 26 HB ILE 26 -0.609 4.253 6.090 200 HG12 ILE 26 1HG1 ILE 26 -0.279 1.354 6.657 201 HG13 ILE 26 2HG1 ILE 26 0.864 2.451 7.425 202 HG21 ILE 26 1HG2 ILE 26 -0.590 2.653 3.774 203 HG22 ILE 26 2HG2 ILE 26 -1.445 1.739 5.015 204 HG23 ILE 26 3HG2 ILE 26 -1.981 3.364 4.590 205 HD11 ILE 26 3HD1 ILE 26 -1.593 1.759 8.397 206 HD12 ILE 26 1HD1 ILE 26 -0.650 3.165 8.888 207 HD13 ILE 26 2HD1 ILE 26 -1.900 3.329 7.655 208 H LYS 27 H LYS 27 3.322 2.618 6.215 209 HA LYS 27 HA LYS 27 4.042 0.652 4.377 210 HB2 LYS 27 1HB LYS 27 4.912 1.534 6.967 211 HB3 LYS 27 2HB LYS 27 4.890 -0.223 6.932 212 HG2 LYS 27 1HG LYS 27 6.067 0.823 4.524 213 HG3 LYS 27 2HG LYS 27 6.877 1.466 5.954 214 HD2 LYS 27 1HD LYS 27 6.279 -1.426 5.985 215 HD3 LYS 27 2HD LYS 27 7.501 -0.896 4.827 216 HE2 LYS 27 1HE LYS 27 8.933 -1.042 6.539 217 HE3 LYS 27 2HE LYS 27 8.209 0.465 7.096 218 HZ1 LYS 27 3HZ LYS 27 8.238 -1.137 8.871 219 HZ2 LYS 27 1HZ LYS 27 7.415 -2.274 7.924 220 HZ3 LYS 27 2HZ LYS 27 6.635 -0.854 8.410 221 H CYS 28 H CYS 28 3.192 -1.252 3.878 222 HA CYS 28 HA CYS 28 0.954 -2.293 5.334 223 HB2 CYS 28 1HB CYS 28 2.446 -3.719 3.137 224 HB3 CYS 28 2HB CYS 28 0.756 -3.894 3.594 225 HG CYS 28 HG CYS 28 2.085 -1.926 1.344 226 HA PRO 29 HA PRO 29 2.938 -5.122 8.037 227 HB2 PRO 29 1HB PRO 29 1.124 -7.141 8.109 228 HB3 PRO 29 2HB PRO 29 0.856 -5.579 8.893 229 HG2 PRO 29 1HG PRO 29 -0.154 -6.574 6.256 230 HG3 PRO 29 2HG PRO 29 -1.015 -5.667 7.514 231 HD2 PRO 29 1HD PRO 29 -0.030 -4.488 5.285 232 HD3 PRO 29 2HD PRO 29 -0.124 -3.649 6.847 233 H LYS 30 H LYS 30 4.765 -5.750 6.854 234 HA LYS 30 HA LYS 30 4.662 -8.470 5.856 235 HB2 LYS 30 1HB LYS 30 5.367 -6.113 4.126 236 HB3 LYS 30 2HB LYS 30 6.030 -7.710 3.801 237 HG2 LYS 30 1HG LYS 30 3.099 -7.022 3.914 238 HG3 LYS 30 2HG LYS 30 4.052 -7.241 2.445 239 HD2 LYS 30 1HD LYS 30 4.563 -9.563 3.223 240 HD3 LYS 30 2HD LYS 30 3.416 -9.313 4.541 241 HE2 LYS 30 1HE LYS 30 2.466 -8.712 1.803 242 HE3 LYS 30 2HE LYS 30 2.734 -10.409 2.197 243 HZ1 LYS 30 3HZ LYS 30 1.254 -8.843 4.153 244 HZ2 LYS 30 1HZ LYS 30 1.020 -10.438 3.640 245 HZ3 LYS 30 2HZ LYS 30 0.460 -9.155 2.691 246 H PHE 31 H PHE 31 5.824 -8.231 8.058 247 HA PHE 31 HA PHE 31 8.591 -7.362 7.803 248 HB2 PHE 31 1HB PHE 31 7.305 -8.636 10.218 249 HB3 PHE 31 2HB PHE 31 8.753 -7.636 10.165 250 HD1 PHE 31 1HD PHE 31 8.521 -5.197 9.610 251 HD2 PHE 31 2HD PHE 31 5.183 -7.684 10.493 252 HE1 PHE 31 1HE PHE 31 7.161 -3.200 10.075 253 HE2 PHE 31 2HE PHE 31 3.817 -5.692 10.960 254 HZ PHE 31 HZ PHE 31 4.805 -3.446 10.749 255 H ASP 32 H ASP 32 9.779 -8.779 6.658 256 HA ASP 32 HA ASP 32 10.784 -10.717 5.999 257 HB2 ASP 32 1HB ASP 32 10.402 -11.520 8.889 258 HB3 ASP 32 2HB ASP 32 11.619 -12.131 7.773 259 H ASN 33 H ASN 33 8.811 -11.186 4.749 260 HA ASN 33 HA ASN 33 7.998 -13.861 5.082 261 HB2 ASN 33 1HB ASN 33 6.633 -12.793 6.898 262 HB3 ASN 33 2HB ASN 33 5.811 -11.853 5.655 263 HD21 ASN 33 2HD2 ASN 33 5.063 -14.094 7.599 264 HD22 ASN 33 1HD2 ASN 33 4.183 -15.205 6.609 265 H LYS 34 H LYS 34 7.303 -10.698 3.711 266 HA LYS 34 HA LYS 34 7.431 -11.600 1.055 267 HB2 LYS 34 1HB LYS 34 5.114 -12.458 2.015 268 HB3 LYS 34 2HB LYS 34 4.617 -10.808 1.661 269 HG2 LYS 34 1HG LYS 34 5.802 -12.747 -0.315 270 HG3 LYS 34 2HG LYS 34 4.094 -12.327 -0.174 271 HD2 LYS 34 1HD LYS 34 4.645 -9.988 -0.690 272 HD3 LYS 34 2HD LYS 34 6.343 -10.435 -0.865 273 HE2 LYS 34 1HE LYS 34 5.014 -12.222 -2.504 274 HE3 LYS 34 2HE LYS 34 4.138 -10.711 -2.738 275 HZ1 LYS 34 3HZ LYS 34 6.536 -9.754 -2.958 276 HZ2 LYS 34 1HZ LYS 34 5.794 -10.509 -4.279 277 HZ3 LYS 34 2HZ LYS 34 6.934 -11.350 -3.354 278 H LYS 35 H LYS 35 8.804 -9.636 1.763 279 HA LYS 35 HA LYS 35 7.448 -7.097 1.798 280 HB2 LYS 35 1HB LYS 35 10.401 -7.593 1.412 281 HB3 LYS 35 2HB LYS 35 9.629 -6.120 1.984 282 HG2 LYS 35 1HG LYS 35 8.759 -7.946 3.811 283 HG3 LYS 35 2HG LYS 35 10.380 -8.540 3.440 284 HD2 LYS 35 1HD LYS 35 10.766 -5.831 3.686 285 HD3 LYS 35 2HD LYS 35 9.544 -6.163 4.915 286 HE2 LYS 35 1HE LYS 35 11.288 -6.723 6.207 287 HE3 LYS 35 2HE LYS 35 11.281 -8.228 5.290 288 HZ1 LYS 35 3HZ LYS 35 12.720 -6.420 3.780 289 HZ2 LYS 35 1HZ LYS 35 13.330 -7.733 4.657 290 HZ3 LYS 35 2HZ LYS 35 13.256 -6.202 5.371 291 H CYS 36 H CYS 36 8.279 -5.347 0.248 292 HA CYS 36 HA CYS 36 7.583 -6.139 -2.402 293 HB2 CYS 36 1HB CYS 36 7.113 -3.888 -1.311 294 HB3 CYS 36 2HB CYS 36 8.805 -3.501 -1.596 295 HG CYS 36 HG CYS 36 8.673 -3.140 -4.204 296 H THR 37 H THR 37 8.872 -5.922 -4.302 297 HA THR 37 HA THR 37 11.742 -5.661 -4.026 298 HB THR 37 HB THR 37 12.068 -7.888 -5.274 299 HG1 THR 37 1HG THR 37 9.814 -8.277 -5.624 300 HG21 THR 37 3HG2 THR 37 12.376 -7.231 -2.697 301 HG22 THR 37 1HG2 THR 37 12.691 -8.854 -3.311 302 HG23 THR 37 2HG2 THR 37 11.156 -8.492 -2.520 303 H LYS 38 H LYS 38 9.881 -4.097 -5.396 304 HA LYS 38 HA LYS 38 11.062 -3.855 -7.912 305 HB2 LYS 38 1HB LYS 38 9.970 -5.843 -8.623 306 HB3 LYS 38 2HB LYS 38 8.453 -5.364 -7.876 307 HG2 LYS 38 1HG LYS 38 7.902 -3.935 -9.576 308 HG3 LYS 38 2HG LYS 38 9.586 -3.647 -10.026 309 HD2 LYS 38 1HD LYS 38 9.747 -5.715 -11.145 310 HD3 LYS 38 2HD LYS 38 8.261 -6.320 -10.407 311 HE2 LYS 38 1HE LYS 38 8.389 -4.000 -12.328 312 HE3 LYS 38 2HE LYS 38 8.017 -5.658 -12.796 313 HZ1 LYS 38 3HZ LYS 38 5.920 -4.955 -12.459 314 HZ2 LYS 38 1HZ LYS 38 6.371 -3.711 -11.405 315 HZ3 LYS 38 2HZ LYS 38 6.259 -5.301 -10.838 316 H ASP 39 H ASP 39 10.889 -1.753 -8.276 317 HA ASP 39 HA ASP 39 9.297 0.023 -6.903 318 HB2 ASP 39 1HB ASP 39 9.950 1.681 -8.477 319 HB3 ASP 39 2HB ASP 39 11.291 0.544 -8.384 320 H ASN 40 H ASN 40 7.203 0.482 -6.902 321 HA ASN 40 HA ASN 40 5.006 0.572 -7.486 322 HB2 ASN 40 1HB ASN 40 6.432 0.995 -10.064 323 HB3 ASN 40 2HB ASN 40 4.708 0.643 -10.145 324 HD21 ASN 40 2HD2 ASN 40 6.708 2.526 -7.901 325 HD22 ASN 40 1HD2 ASN 40 5.802 3.989 -8.055 326 H ASN 41 H ASN 41 5.212 -1.741 -6.634 327 HA ASN 41 HA ASN 41 4.918 -3.821 -8.626 328 HB2 ASN 41 1HB ASN 41 5.544 -3.687 -5.811 329 HB3 ASN 41 2HB ASN 41 4.254 -4.853 -6.092 330 HD21 ASN 41 2HD2 ASN 41 6.720 -5.626 -5.167 331 HD22 ASN 41 1HD2 ASN 41 7.527 -6.551 -6.383 332 H LYS 42 H LYS 42 2.941 -3.327 -5.725 333 HA LYS 42 HA LYS 42 0.545 -2.643 -6.987 334 HB2 LYS 42 1HB LYS 42 0.537 -4.757 -8.083 335 HB3 LYS 42 2HB LYS 42 0.983 -5.602 -6.608 336 HG2 LYS 42 1HG LYS 42 -1.133 -5.672 -5.846 337 HG3 LYS 42 2HG LYS 42 -1.534 -4.079 -6.493 338 HD2 LYS 42 1HD LYS 42 -2.269 -4.921 -8.457 339 HD3 LYS 42 2HD LYS 42 -1.034 -6.181 -8.498 340 HE2 LYS 42 1HE LYS 42 -2.625 -6.905 -6.364 341 HE3 LYS 42 2HE LYS 42 -3.780 -6.281 -7.540 342 HZ1 LYS 42 3HZ LYS 42 -3.503 -8.055 -8.833 343 HZ2 LYS 42 1HZ LYS 42 -2.720 -8.784 -7.521 344 HZ3 LYS 42 2HZ LYS 42 -1.816 -8.002 -8.718 345 H CYS 43 H CYS 43 -0.983 -2.118 -5.498 346 HA CYS 43 HA CYS 43 -0.843 -3.234 -2.816 347 HB2 CYS 43 1HB CYS 43 0.271 -0.676 -3.470 348 HB3 CYS 43 2HB CYS 43 -1.132 -0.439 -2.435 349 HG CYS 43 HG CYS 43 0.865 -2.861 -1.326 350 H THR 44 H THR 44 -2.711 -2.701 -1.507 351 HA THR 44 HA THR 44 -4.956 -1.405 -2.804 352 HB THR 44 HB THR 44 -5.963 -3.915 -1.853 353 HG1 THR 44 1HG THR 44 -4.902 -5.075 -3.746 354 HG21 THR 44 3HG2 THR 44 -6.764 -2.150 -3.635 355 HG22 THR 44 1HG2 THR 44 -7.194 -3.852 -3.794 356 HG23 THR 44 2HG2 THR 44 -5.865 -3.185 -4.744 357 H VAL 45 H VAL 45 -6.655 -0.896 -1.378 358 HA VAL 45 HA VAL 45 -6.403 -1.663 1.418 359 HB VAL 45 HB VAL 45 -6.218 1.206 0.501 360 HG11 VAL 45 1HG1 VAL 45 -6.038 1.409 3.159 361 HG12 VAL 45 2HG1 VAL 45 -7.567 1.556 2.290 362 HG13 VAL 45 3HG1 VAL 45 -7.130 0.029 3.058 363 HG21 VAL 45 3HG2 VAL 45 -4.392 -0.434 2.255 364 HG22 VAL 45 1HG2 VAL 45 -4.109 -0.070 0.553 365 HG23 VAL 45 2HG2 VAL 45 -4.137 1.234 1.741 366 H ASP 46 H ASP 46 -8.315 -1.605 2.526 367 HA ASP 46 HA ASP 46 -10.666 -0.616 1.047 368 HB2 ASP 46 1HB ASP 46 -10.139 -3.252 1.616 369 HB3 ASP 46 2HB ASP 46 -11.174 -2.781 2.961 370 H THR 47 H THR 47 -12.501 -0.001 2.387 371 HA THR 47 HA THR 47 -11.593 1.296 4.846 372 HB THR 47 HB THR 47 -13.848 2.466 4.697 373 HG1 THR 47 1HG THR 47 -15.082 1.378 3.305 374 HG21 THR 47 3HG2 THR 47 -12.090 3.816 4.045 375 HG22 THR 47 1HG2 THR 47 -13.060 3.781 2.574 376 HG23 THR 47 2HG2 THR 47 -11.632 2.756 2.711 377 H TYR 48 H TYR 48 -13.147 -1.506 3.935 378 HA TYR 48 HA TYR 48 -15.279 -1.820 5.654 379 HB2 TYR 48 1HB TYR 48 -14.817 -3.515 4.032 380 HB3 TYR 48 2HB TYR 48 -13.228 -3.829 4.717 381 HD1 TYR 48 1HD TYR 48 -16.843 -3.934 5.646 382 HD2 TYR 48 2HD TYR 48 -12.968 -5.607 6.179 383 HE1 TYR 48 1HE TYR 48 -17.808 -5.705 7.053 384 HE2 TYR 48 2HE TYR 48 -13.921 -7.383 7.588 385 HH TYR 48 HH TYR 48 -16.978 -7.247 8.898 386 H ASN 49 H ASN 49 -11.872 -2.637 6.309 387 HA ASN 49 HA ASN 49 -12.263 -1.995 9.114 388 HB2 ASN 49 1HB ASN 49 -11.507 -4.113 9.962 389 HB3 ASN 49 2HB ASN 49 -12.849 -4.424 8.865 390 HD21 ASN 49 2HD2 ASN 49 -10.978 -6.349 9.616 391 HD22 ASN 49 1HD2 ASN 49 -10.069 -6.807 8.221 392 H ASN 50 H ASN 50 -10.780 -0.707 7.101 393 HA ASN 50 HA ASN 50 -8.709 0.103 6.604 394 HB2 ASN 50 1HB ASN 50 -9.078 0.353 9.264 395 HB3 ASN 50 2HB ASN 50 -7.627 -0.644 9.261 396 HD21 ASN 50 2HD2 ASN 50 -6.347 0.304 7.020 397 HD22 ASN 50 1HD2 ASN 50 -5.878 1.947 7.282 398 H ALA 51 H ALA 51 -8.975 -2.390 5.605 399 HA ALA 51 HA ALA 51 -6.691 -3.999 6.408 400 HB1 ALA 51 1HB ALA 51 -8.344 -5.467 5.900 401 HB2 ALA 51 2HB ALA 51 -9.071 -4.406 4.693 402 HB3 ALA 51 3HB ALA 51 -7.622 -5.330 4.297 403 H VAL 52 H VAL 52 -4.742 -3.561 5.632 404 HA VAL 52 HA VAL 52 -4.509 -2.284 2.994 405 HB VAL 52 HB VAL 52 -2.369 -2.500 5.112 406 HG11 VAL 52 1HG1 VAL 52 -2.492 -0.478 2.908 407 HG12 VAL 52 2HG1 VAL 52 -1.096 -1.055 3.821 408 HG13 VAL 52 3HG1 VAL 52 -1.847 -2.091 2.608 409 HG21 VAL 52 3HG2 VAL 52 -4.542 -0.500 4.704 410 HG22 VAL 52 1HG2 VAL 52 -3.874 -1.150 6.201 411 HG23 VAL 52 2HG2 VAL 52 -2.968 0.049 5.278 412 H ASP 53 H ASP 53 -4.356 -3.838 1.484 413 HA ASP 53 HA ASP 53 -2.953 -6.307 1.965 414 HB2 ASP 53 1HB ASP 53 -4.745 -5.232 -0.068 415 HB3 ASP 53 2HB ASP 53 -3.415 -6.152 -0.768 416 H CYS 54 H CYS 54 -1.335 -7.064 0.267 417 HA CYS 54 HA CYS 54 0.451 -4.882 -0.555 418 HB2 CYS 54 1HB CYS 54 1.750 -7.359 0.425 419 HB3 CYS 54 2HB CYS 54 2.271 -5.684 0.561 420 HG CYS 54 HG CYS 54 -0.025 -5.375 2.505 421 H ASP 55 H ASP 55 2.099 -5.599 -2.146 422 HA ASP 55 HA ASP 55 0.911 -6.895 -4.322 423 HB2 ASP 55 1HB ASP 55 3.374 -7.021 -5.143 424 HB3 ASP 55 2HB ASP 55 2.638 -5.440 -4.899 Start of MODEL 9 1 H1 ALA 1 H ALA 1 -16.175 1.331 1.045 2 HA ALA 1 HA ALA 1 -15.584 2.833 -1.383 3 HB1 ALA 1 1HB ALA 1 -15.735 4.110 1.110 4 HB2 ALA 1 2HB ALA 1 -14.016 3.950 0.744 5 HB3 ALA 1 3HB ALA 1 -15.089 4.759 -0.399 6 H LYS 2 H LYS 2 -13.525 2.500 -2.185 7 HA LYS 2 HA LYS 2 -11.646 0.905 -0.625 8 HB2 LYS 2 1HB LYS 2 -12.517 0.037 -3.383 9 HB3 LYS 2 2HB LYS 2 -11.394 -0.795 -2.315 10 HG2 LYS 2 1HG LYS 2 -13.404 -0.913 -0.691 11 HG3 LYS 2 2HG LYS 2 -14.369 -0.578 -2.131 12 HD2 LYS 2 1HD LYS 2 -13.474 -2.534 -3.233 13 HD3 LYS 2 2HD LYS 2 -12.384 -2.838 -1.878 14 HE2 LYS 2 1HE LYS 2 -14.091 -3.550 -0.496 15 HE3 LYS 2 2HE LYS 2 -15.327 -2.674 -1.397 16 HZ1 LYS 2 3HZ LYS 2 -14.500 -4.391 -3.246 17 HZ2 LYS 2 1HZ LYS 2 -15.770 -4.722 -2.178 18 HZ3 LYS 2 2HZ LYS 2 -14.220 -5.319 -1.860 19 H TYR 3 H TYR 3 -9.532 0.667 -1.791 20 HA TYR 3 HA TYR 3 -9.028 2.697 -3.820 21 HB2 TYR 3 1HB TYR 3 -7.402 2.635 -1.276 22 HB3 TYR 3 2HB TYR 3 -7.287 3.798 -2.592 23 HD1 TYR 3 1HD TYR 3 -9.360 2.675 0.246 24 HD2 TYR 3 2HD TYR 3 -8.764 5.670 -2.718 25 HE1 TYR 3 1HE TYR 3 -10.966 4.134 1.404 26 HE2 TYR 3 2HE TYR 3 -10.367 7.137 -1.566 27 HH TYR 3 HH TYR 3 -12.554 6.316 0.361 28 H THR 4 H THR 4 -7.037 2.421 -4.932 29 HA THR 4 HA THR 4 -5.557 -0.043 -4.362 30 HB THR 4 HB THR 4 -7.297 -0.578 -6.063 31 HG1 THR 4 1HG THR 4 -5.744 -1.497 -7.553 32 HG21 THR 4 3HG2 THR 4 -5.809 0.939 -8.131 33 HG22 THR 4 1HG2 THR 4 -6.889 1.859 -7.086 34 HG23 THR 4 2HG2 THR 4 -7.519 0.520 -8.046 35 H GLY 5 H GLY 5 -3.405 0.035 -4.855 36 HA2 GLY 5 1HA GLY 5 -2.352 2.142 -6.547 37 HA3 GLY 5 2HA GLY 5 -1.958 2.302 -4.842 38 H LYS 6 H LYS 6 0.238 2.005 -5.102 39 HA LYS 6 HA LYS 6 1.050 -0.766 -5.502 40 HB2 LYS 6 1HB LYS 6 2.550 1.439 -6.903 41 HB3 LYS 6 2HB LYS 6 2.727 -0.298 -7.112 42 HG2 LYS 6 1HG LYS 6 0.332 -0.270 -7.982 43 HG3 LYS 6 2HG LYS 6 0.517 1.484 -8.077 44 HD2 LYS 6 1HD LYS 6 2.816 0.333 -9.254 45 HD3 LYS 6 2HD LYS 6 1.416 -0.521 -9.905 46 HE2 LYS 6 1HE LYS 6 1.714 2.479 -9.829 47 HE3 LYS 6 2HE LYS 6 2.079 1.473 -11.229 48 HZ1 LYS 6 3HZ LYS 6 -0.269 0.685 -11.111 49 HZ2 LYS 6 1HZ LYS 6 -0.101 2.323 -11.503 50 HZ3 LYS 6 2HZ LYS 6 -0.561 1.871 -9.940 51 H CYS 7 H CYS 7 3.446 -1.016 -4.955 52 HA CYS 7 HA CYS 7 4.122 0.797 -2.731 53 HB2 CYS 7 1HB CYS 7 4.728 -2.160 -2.925 54 HB3 CYS 7 2HB CYS 7 5.115 -1.106 -1.571 55 HG CYS 7 HG CYS 7 2.528 -2.943 -1.886 56 H THR 8 H THR 8 6.372 1.124 -2.303 57 HA THR 8 HA THR 8 8.032 0.797 -4.712 58 HB THR 8 HB THR 8 7.786 3.113 -4.298 59 HG1 THR 8 1HG THR 8 9.959 3.688 -3.643 60 HG21 THR 8 3HG2 THR 8 8.494 2.558 -1.413 61 HG22 THR 8 1HG2 THR 8 6.894 2.977 -2.023 62 HG23 THR 8 2HG2 THR 8 8.208 4.150 -2.115 63 H LYS 9 H LYS 9 10.072 -0.049 -4.570 64 HA LYS 9 HA LYS 9 10.627 -1.892 -2.536 65 HB2 LYS 9 1HB LYS 9 12.903 -2.004 -3.559 66 HB3 LYS 9 2HB LYS 9 11.591 -2.187 -4.717 67 HG2 LYS 9 1HG LYS 9 11.871 0.086 -5.464 68 HG3 LYS 9 2HG LYS 9 13.091 0.378 -4.222 69 HD2 LYS 9 1HD LYS 9 13.332 -1.639 -6.456 70 HD3 LYS 9 2HD LYS 9 14.076 -0.039 -6.448 71 HE2 LYS 9 1HE LYS 9 14.624 -2.312 -4.545 72 HE3 LYS 9 2HE LYS 9 15.711 -1.674 -5.778 73 HZ1 LYS 9 3HZ LYS 9 14.814 -0.330 -3.293 74 HZ2 LYS 9 1HZ LYS 9 15.615 0.481 -4.543 75 HZ3 LYS 9 2HZ LYS 9 16.390 -0.775 -3.717 76 H SER 10 H SER 10 11.273 1.491 -2.780 77 HA SER 10 HA SER 10 13.362 1.529 -0.801 78 HB2 SER 10 1HB SER 10 13.189 3.968 -0.969 79 HB3 SER 10 2HB SER 10 13.245 3.242 -2.575 80 HG SER 10 HG SER 10 11.590 4.653 -2.678 81 H LYS 11 H LYS 11 9.952 1.450 -0.768 82 HA LYS 11 HA LYS 11 9.899 1.490 2.103 83 HB2 LYS 11 1HB LYS 11 9.617 3.951 0.914 84 HB3 LYS 11 2HB LYS 11 7.947 3.433 1.096 85 HG2 LYS 11 1HG LYS 11 7.997 3.596 3.345 86 HG3 LYS 11 2HG LYS 11 9.682 3.080 3.455 87 HD2 LYS 11 1HD LYS 11 9.592 5.587 2.109 88 HD3 LYS 11 2HD LYS 11 8.629 5.710 3.584 89 HE2 LYS 11 1HE LYS 11 10.622 6.148 4.540 90 HE3 LYS 11 2HE LYS 11 10.789 4.392 4.521 91 HZ1 LYS 11 3HZ LYS 11 11.737 6.117 2.306 92 HZ2 LYS 11 1HZ LYS 11 12.107 4.489 2.587 93 HZ3 LYS 11 2HZ LYS 11 12.719 5.686 3.615 94 H ASN 12 H ASN 12 8.609 -0.151 2.582 95 HA ASN 12 HA ASN 12 6.660 -1.123 0.701 96 HB2 ASN 12 1HB ASN 12 8.058 -2.633 2.116 97 HB3 ASN 12 2HB ASN 12 7.185 -2.052 3.532 98 HD21 ASN 12 2HD2 ASN 12 5.738 -3.449 4.191 99 HD22 ASN 12 1HD2 ASN 12 4.753 -4.454 3.190 100 H GLU 13 H GLU 13 5.717 1.249 1.048 101 HA GLU 13 HA GLU 13 3.464 0.931 2.916 102 HB2 GLU 13 1HB GLU 13 3.549 3.217 3.545 103 HB3 GLU 13 2HB GLU 13 5.192 2.608 3.693 104 HG2 GLU 13 1HG GLU 13 5.638 3.563 1.413 105 HG3 GLU 13 2HG GLU 13 4.064 4.347 1.519 106 H CYS 14 H CYS 14 1.492 1.277 2.076 107 HA CYS 14 HA CYS 14 1.094 1.401 -0.685 108 HB2 CYS 14 1HB CYS 14 -1.187 1.356 -0.229 109 HB3 CYS 14 2HB CYS 14 -0.503 0.642 1.226 110 HG CYS 14 HG CYS 14 -2.208 2.143 2.510 111 H LYS 15 H LYS 15 0.356 3.034 -2.058 112 HA LYS 15 HA LYS 15 0.525 5.781 -1.026 113 HB2 LYS 15 1HB LYS 15 1.660 6.409 -3.185 114 HB3 LYS 15 2HB LYS 15 2.635 5.443 -2.084 115 HG2 LYS 15 1HG LYS 15 2.907 3.860 -3.608 116 HG3 LYS 15 2HG LYS 15 1.168 3.750 -3.891 117 HD2 LYS 15 1HD LYS 15 1.974 4.387 -5.969 118 HD3 LYS 15 2HD LYS 15 1.508 5.933 -5.254 119 HE2 LYS 15 1HE LYS 15 4.268 5.057 -4.713 120 HE3 LYS 15 2HE LYS 15 3.911 5.448 -6.395 121 HZ1 LYS 15 3HZ LYS 15 3.755 7.203 -4.026 122 HZ2 LYS 15 1HZ LYS 15 2.908 7.575 -5.442 123 HZ3 LYS 15 2HZ LYS 15 4.594 7.451 -5.473 124 H TYR 16 H TYR 16 -1.794 5.696 -1.042 125 HA TYR 16 HA TYR 16 -2.928 5.949 -3.750 126 HB2 TYR 16 1HB TYR 16 -4.944 4.936 -3.043 127 HB3 TYR 16 2HB TYR 16 -3.663 3.918 -2.396 128 HD1 TYR 16 1HD TYR 16 -2.900 4.537 0.059 129 HD2 TYR 16 2HD TYR 16 -6.664 5.571 -1.636 130 HE1 TYR 16 1HE TYR 16 -3.845 4.776 2.317 131 HE2 TYR 16 2HE TYR 16 -7.618 5.815 0.618 132 HH TYR 16 HH TYR 16 -7.220 5.773 2.801 133 H LYS 17 H LYS 17 -5.384 6.945 -3.166 134 HA LYS 17 HA LYS 17 -4.831 9.445 -1.708 135 HB2 LYS 17 1HB LYS 17 -6.378 10.539 -3.400 136 HB3 LYS 17 2HB LYS 17 -4.789 10.068 -3.990 137 HG2 LYS 17 1HG LYS 17 -5.821 7.991 -4.901 138 HG3 LYS 17 2HG LYS 17 -7.398 8.640 -4.448 139 HD2 LYS 17 1HD LYS 17 -6.802 10.676 -5.839 140 HD3 LYS 17 2HD LYS 17 -5.442 9.735 -6.457 141 HE2 LYS 17 1HE LYS 17 -7.591 8.022 -6.718 142 HE3 LYS 17 2HE LYS 17 -8.271 9.597 -7.124 143 HZ1 LYS 17 3HZ LYS 17 -7.330 8.375 -9.044 144 HZ2 LYS 17 1HZ LYS 17 -5.797 8.500 -8.339 145 HZ3 LYS 17 2HZ LYS 17 -6.630 9.896 -8.806 146 H ASN 18 H ASN 18 -6.125 9.663 -0.017 147 HA ASN 18 HA ASN 18 -8.773 8.381 -0.092 148 HB2 ASN 18 1HB ASN 18 -8.626 7.957 2.178 149 HB3 ASN 18 2HB ASN 18 -6.939 7.803 1.698 150 HD21 ASN 18 2HD2 ASN 18 -5.687 9.903 1.813 151 HD22 ASN 18 1HD2 ASN 18 -5.955 10.877 3.215 152 H ASP 19 H ASP 19 -10.521 9.498 1.049 153 HA ASP 19 HA ASP 19 -11.808 11.311 1.556 154 HB2 ASP 19 1HB ASP 19 -9.633 11.997 2.798 155 HB3 ASP 19 2HB ASP 19 -9.396 13.101 1.445 156 H ALA 20 H ALA 20 -9.229 12.752 -0.439 157 HA ALA 20 HA ALA 20 -10.678 12.765 -2.845 158 HB1 ALA 20 1HB ALA 20 -10.635 15.552 -1.839 159 HB2 ALA 20 2HB ALA 20 -11.756 14.763 -2.948 160 HB3 ALA 20 3HB ALA 20 -11.888 14.481 -1.213 161 H GLY 21 H GLY 21 -8.111 12.121 -2.334 162 HA2 GLY 21 1HA GLY 21 -6.209 12.518 -3.711 163 HA3 GLY 21 2HA GLY 21 -6.666 14.214 -3.800 164 H LYS 22 H LYS 22 -6.803 12.719 -0.708 165 HA LYS 22 HA LYS 22 -4.742 14.472 0.280 166 HB2 LYS 22 1HB LYS 22 -6.985 13.155 1.369 167 HB3 LYS 22 2HB LYS 22 -5.582 12.506 2.209 168 HG2 LYS 22 1HG LYS 22 -5.890 15.458 1.881 169 HG3 LYS 22 2HG LYS 22 -6.789 14.603 3.137 170 HD2 LYS 22 1HD LYS 22 -4.868 13.998 4.280 171 HD3 LYS 22 2HD LYS 22 -3.845 14.161 2.851 172 HE2 LYS 22 1HE LYS 22 -5.211 16.557 4.013 173 HE3 LYS 22 2HE LYS 22 -3.721 15.949 4.734 174 HZ1 LYS 22 3HZ LYS 22 -2.743 16.098 2.442 175 HZ2 LYS 22 1HZ LYS 22 -3.099 17.579 3.176 176 HZ3 LYS 22 2HZ LYS 22 -4.121 16.961 1.979 177 H ASP 23 H ASP 23 -2.677 13.992 0.700 178 HA ASP 23 HA ASP 23 -1.546 11.561 -0.222 179 HB2 ASP 23 1HB ASP 23 0.570 12.444 0.604 180 HB3 ASP 23 2HB ASP 23 -0.327 13.710 -0.229 181 H THR 24 H THR 24 -1.394 9.671 0.773 182 HA THR 24 HA THR 24 -1.056 9.551 3.663 183 HB THR 24 HB THR 24 -3.330 8.139 2.256 184 HG1 THR 24 1HG THR 24 -3.821 10.293 2.783 185 HG21 THR 24 3HG2 THR 24 -3.260 6.616 3.879 186 HG22 THR 24 1HG2 THR 24 -3.488 7.894 5.072 187 HG23 THR 24 2HG2 THR 24 -1.859 7.414 4.595 188 H PHE 25 H PHE 25 0.356 8.014 4.215 189 HA PHE 25 HA PHE 25 0.738 5.718 2.432 190 HB2 PHE 25 1HB PHE 25 2.988 7.416 3.532 191 HB3 PHE 25 2HB PHE 25 3.179 5.939 2.593 192 HD1 PHE 25 1HD PHE 25 1.807 9.382 2.429 193 HD2 PHE 25 2HD PHE 25 3.263 6.016 0.268 194 HE1 PHE 25 1HE PHE 25 1.778 10.705 0.355 195 HE2 PHE 25 2HE PHE 25 3.236 7.334 -1.809 196 HZ PHE 25 HZ PHE 25 2.494 9.682 -1.768 197 H ILE 26 H ILE 26 0.784 3.856 3.506 198 HA ILE 26 HA ILE 26 1.657 3.841 6.309 199 HB ILE 26 HB ILE 26 -0.731 3.911 6.479 200 HG12 ILE 26 1HG1 ILE 26 -0.336 0.979 6.774 201 HG13 ILE 26 2HG1 ILE 26 0.772 2.026 7.654 202 HG21 ILE 26 1HG2 ILE 26 -1.551 3.348 4.378 203 HG22 ILE 26 2HG2 ILE 26 -0.648 1.834 4.324 204 HG23 ILE 26 3HG2 ILE 26 -2.051 1.988 5.384 205 HD11 ILE 26 3HD1 ILE 26 -1.700 3.117 8.184 206 HD12 ILE 26 1HD1 ILE 26 -1.998 1.379 8.190 207 HD13 ILE 26 2HD1 ILE 26 -0.767 2.067 9.250 208 H LYS 27 H LYS 27 2.833 2.095 6.898 209 HA LYS 27 HA LYS 27 3.878 0.400 4.874 210 HB2 LYS 27 1HB LYS 27 4.107 0.186 7.883 211 HB3 LYS 27 2HB LYS 27 5.086 -0.701 6.721 212 HG2 LYS 27 1HG LYS 27 6.502 0.989 6.517 213 HG3 LYS 27 2HG LYS 27 5.192 2.126 6.189 214 HD2 LYS 27 1HD LYS 27 6.149 2.971 8.134 215 HD3 LYS 27 2HD LYS 27 4.781 2.034 8.739 216 HE2 LYS 27 1HE LYS 27 6.110 0.450 9.681 217 HE3 LYS 27 2HE LYS 27 7.357 0.606 8.446 218 HZ1 LYS 27 3HZ LYS 27 7.378 3.003 9.770 219 HZ2 LYS 27 1HZ LYS 27 8.501 1.750 9.946 220 HZ3 LYS 27 2HZ LYS 27 7.182 1.858 11.000 221 H CYS 28 H CYS 28 3.340 -1.620 4.272 222 HA CYS 28 HA CYS 28 0.862 -2.720 5.281 223 HB2 CYS 28 1HB CYS 28 2.671 -3.933 3.192 224 HB3 CYS 28 2HB CYS 28 0.953 -4.226 3.432 225 HG CYS 28 HG CYS 28 1.298 -1.035 2.910 226 HA PRO 29 HA PRO 29 2.522 -5.718 8.022 227 HB2 PRO 29 1HB PRO 29 0.744 -7.745 7.718 228 HB3 PRO 29 2HB PRO 29 0.354 -6.244 8.566 229 HG2 PRO 29 1HG PRO 29 -0.292 -7.057 5.758 230 HG3 PRO 29 2HG PRO 29 -1.321 -6.246 6.952 231 HD2 PRO 29 1HD PRO 29 -0.075 -4.908 4.956 232 HD3 PRO 29 2HD PRO 29 -0.382 -4.181 6.546 233 H LYS 30 H LYS 30 4.294 -5.803 6.185 234 HA LYS 30 HA LYS 30 4.592 -8.637 5.507 235 HB2 LYS 30 1HB LYS 30 4.989 -6.344 3.580 236 HB3 LYS 30 2HB LYS 30 5.540 -7.987 3.282 237 HG2 LYS 30 1HG LYS 30 3.562 -8.071 2.183 238 HG3 LYS 30 2HG LYS 30 2.997 -8.533 3.790 239 HD2 LYS 30 1HD LYS 30 2.470 -6.126 4.209 240 HD3 LYS 30 2HD LYS 30 2.866 -5.800 2.520 241 HE2 LYS 30 1HE LYS 30 0.438 -6.081 2.927 242 HE3 LYS 30 2HE LYS 30 1.093 -7.243 1.774 243 HZ1 LYS 30 3HZ LYS 30 -0.409 -7.851 3.950 244 HZ2 LYS 30 1HZ LYS 30 1.162 -8.188 4.481 245 HZ3 LYS 30 2HZ LYS 30 0.559 -8.940 3.090 246 H PHE 31 H PHE 31 5.766 -7.435 7.662 247 HA PHE 31 HA PHE 31 8.390 -6.461 7.020 248 HB2 PHE 31 1HB PHE 31 7.439 -7.464 9.705 249 HB3 PHE 31 2HB PHE 31 8.746 -6.329 9.380 250 HD1 PHE 31 2HD PHE 31 8.208 -4.044 8.556 251 HD2 PHE 31 1HD PHE 31 5.205 -6.740 9.908 252 HE1 PHE 31 2HE PHE 31 6.640 -2.165 8.812 253 HE2 PHE 31 1HE PHE 31 3.632 -4.865 10.164 254 HZ PHE 31 HZ PHE 31 4.349 -2.574 9.618 255 H ASP 32 H ASP 32 9.565 -7.955 5.909 256 HA ASP 32 HA ASP 32 10.934 -9.744 5.585 257 HB2 ASP 32 1HB ASP 32 11.236 -9.141 8.222 258 HB3 ASP 32 2HB ASP 32 10.697 -10.816 8.323 259 H ASN 33 H ASN 33 8.235 -10.052 4.975 260 HA ASN 33 HA ASN 33 7.923 -12.940 5.398 261 HB2 ASN 33 1HB ASN 33 6.373 -11.848 6.939 262 HB3 ASN 33 2HB ASN 33 5.707 -10.890 5.619 263 HD21 ASN 33 2HD2 ASN 33 4.111 -11.714 4.417 264 HD22 ASN 33 1HD2 ASN 33 3.482 -13.314 4.577 265 H LYS 34 H LYS 34 6.737 -10.126 3.570 266 HA LYS 34 HA LYS 34 7.347 -11.205 1.055 267 HB2 LYS 34 1HB LYS 34 5.269 -12.585 1.983 268 HB3 LYS 34 2HB LYS 34 4.382 -11.198 1.362 269 HG2 LYS 34 1HG LYS 34 4.571 -11.916 -0.727 270 HG3 LYS 34 2HG LYS 34 6.314 -12.139 -0.562 271 HD2 LYS 34 1HD LYS 34 5.806 -14.297 0.640 272 HD3 LYS 34 2HD LYS 34 4.124 -14.084 0.147 273 HE2 LYS 34 1HE LYS 34 4.631 -14.338 -2.115 274 HE3 LYS 34 2HE LYS 34 6.344 -14.003 -1.865 275 HZ1 LYS 34 3HZ LYS 34 5.511 -16.427 -2.238 276 HZ2 LYS 34 1HZ LYS 34 5.160 -16.363 -0.585 277 HZ3 LYS 34 2HZ LYS 34 6.744 -16.114 -1.123 278 H LYS 35 H LYS 35 7.922 -8.807 1.923 279 HA LYS 35 HA LYS 35 5.895 -6.854 1.313 280 HB2 LYS 35 1HB LYS 35 7.844 -5.242 1.589 281 HB3 LYS 35 2HB LYS 35 7.419 -6.205 2.997 282 HG2 LYS 35 1HG LYS 35 9.316 -7.509 2.847 283 HG3 LYS 35 2HG LYS 35 9.545 -7.160 1.132 284 HD2 LYS 35 1HD LYS 35 11.233 -5.995 2.385 285 HD3 LYS 35 2HD LYS 35 10.092 -4.811 1.745 286 HE2 LYS 35 1HE LYS 35 8.971 -4.709 3.908 287 HE3 LYS 35 2HE LYS 35 10.074 -5.926 4.549 288 HZ1 LYS 35 3HZ LYS 35 10.440 -3.250 4.694 289 HZ2 LYS 35 1HZ LYS 35 11.417 -3.672 3.379 290 HZ3 LYS 35 2HZ LYS 35 11.655 -4.411 4.882 291 H CYS 36 H CYS 36 6.602 -4.985 -0.204 292 HA CYS 36 HA CYS 36 6.549 -5.871 -2.819 293 HB2 CYS 36 1HB CYS 36 6.003 -3.556 -2.004 294 HB3 CYS 36 2HB CYS 36 7.732 -3.240 -1.918 295 HG CYS 36 HG CYS 36 7.325 -2.039 -4.221 296 H THR 37 H THR 37 8.100 -5.891 -4.505 297 HA THR 37 HA THR 37 10.915 -5.909 -3.687 298 HB THR 37 HB THR 37 10.138 -8.250 -3.586 299 HG1 THR 37 1HG THR 37 11.803 -7.923 -5.863 300 HG21 THR 37 3HG2 THR 37 8.710 -9.048 -5.095 301 HG22 THR 37 1HG2 THR 37 9.927 -8.842 -6.353 302 HG23 THR 37 2HG2 THR 37 8.800 -7.533 -5.995 303 H LYS 38 H LYS 38 9.544 -3.926 -5.132 304 HA LYS 38 HA LYS 38 11.247 -3.541 -7.312 305 HB2 LYS 38 1HB LYS 38 9.098 -5.277 -7.920 306 HB3 LYS 38 2HB LYS 38 8.734 -3.738 -8.691 307 HG2 LYS 38 1HG LYS 38 11.269 -3.954 -9.446 308 HG3 LYS 38 2HG LYS 38 10.912 -5.669 -9.234 309 HD2 LYS 38 1HD LYS 38 8.858 -5.270 -10.671 310 HD3 LYS 38 2HD LYS 38 9.557 -3.695 -11.058 311 HE2 LYS 38 1HE LYS 38 10.503 -4.822 -12.762 312 HE3 LYS 38 2HE LYS 38 11.675 -5.300 -11.533 313 HZ1 LYS 38 3HZ LYS 38 10.751 -7.155 -12.900 314 HZ2 LYS 38 1HZ LYS 38 9.250 -6.884 -12.168 315 HZ3 LYS 38 2HZ LYS 38 10.575 -7.358 -11.230 316 H ASP 39 H ASP 39 10.355 -1.720 -8.796 317 HA ASP 39 HA ASP 39 9.384 0.356 -7.036 318 HB2 ASP 39 1HB ASP 39 9.784 0.861 -9.943 319 HB3 ASP 39 2HB ASP 39 10.218 1.859 -8.558 320 H ASN 40 H ASN 40 7.250 0.264 -6.636 321 HA ASN 40 HA ASN 40 5.006 0.422 -6.972 322 HB2 ASN 40 1HB ASN 40 5.458 1.038 -9.875 323 HB3 ASN 40 2HB ASN 40 4.227 1.671 -8.785 324 HD21 ASN 40 2HD2 ASN 40 5.762 2.458 -6.650 325 HD22 ASN 40 1HD2 ASN 40 6.791 3.760 -7.130 326 H ASN 41 H ASN 41 5.033 -1.922 -6.667 327 HA ASN 41 HA ASN 41 4.812 -3.567 -9.046 328 HB2 ASN 41 1HB ASN 41 5.152 -4.030 -6.153 329 HB3 ASN 41 2HB ASN 41 4.165 -5.228 -6.985 330 HD21 ASN 41 2HD2 ASN 41 6.231 -6.343 -6.042 331 HD22 ASN 41 1HD2 ASN 41 7.502 -6.569 -7.190 332 H LYS 42 H LYS 42 2.780 -3.705 -6.150 333 HA LYS 42 HA LYS 42 0.407 -2.752 -7.279 334 HB2 LYS 42 1HB LYS 42 0.425 -4.578 -8.809 335 HB3 LYS 42 2HB LYS 42 0.842 -5.725 -7.542 336 HG2 LYS 42 1HG LYS 42 -1.302 -5.769 -6.689 337 HG3 LYS 42 2HG LYS 42 -1.724 -4.205 -7.390 338 HD2 LYS 42 1HD LYS 42 -2.406 -5.132 -9.311 339 HD3 LYS 42 2HD LYS 42 -1.004 -6.202 -9.390 340 HE2 LYS 42 1HE LYS 42 -2.055 -7.886 -8.241 341 HE3 LYS 42 2HE LYS 42 -3.126 -6.779 -7.384 342 HZ1 LYS 42 3HZ LYS 42 -4.261 -6.403 -9.556 343 HZ2 LYS 42 1HZ LYS 42 -4.427 -7.971 -8.943 344 HZ3 LYS 42 2HZ LYS 42 -3.342 -7.667 -10.205 345 H CYS 43 H CYS 43 -1.237 -2.678 -5.784 346 HA CYS 43 HA CYS 43 -1.380 -4.368 -3.507 347 HB2 CYS 43 1HB CYS 43 -0.709 -2.875 -1.769 348 HB3 CYS 43 2HB CYS 43 0.605 -2.918 -2.938 349 HG CYS 43 HG CYS 43 0.380 -0.308 -2.002 350 H THR 44 H THR 44 -3.005 -3.478 -1.880 351 HA THR 44 HA THR 44 -4.891 -1.583 -3.057 352 HB THR 44 HB THR 44 -6.398 -3.764 -1.949 353 HG1 THR 44 1HG THR 44 -5.007 -4.550 -4.276 354 HG21 THR 44 3HG2 THR 44 -7.451 -2.233 -3.405 355 HG22 THR 44 1HG2 THR 44 -7.339 -3.738 -4.316 356 HG23 THR 44 2HG2 THR 44 -6.205 -2.426 -4.638 357 H VAL 45 H VAL 45 -6.655 -1.018 -1.508 358 HA VAL 45 HA VAL 45 -6.097 -1.552 1.294 359 HB VAL 45 HB VAL 45 -6.041 1.261 0.192 360 HG11 VAL 45 1HG1 VAL 45 -7.128 1.446 2.248 361 HG12 VAL 45 2HG1 VAL 45 -6.145 0.181 2.989 362 HG13 VAL 45 3HG1 VAL 45 -5.437 1.759 2.638 363 HG21 VAL 45 3HG2 VAL 45 -3.896 -0.410 1.499 364 HG22 VAL 45 1HG2 VAL 45 -3.948 0.104 -0.187 365 HG23 VAL 45 2HG2 VAL 45 -3.744 1.300 1.093 366 H ASP 46 H ASP 46 -7.860 -1.270 2.624 367 HA ASP 46 HA ASP 46 -10.346 -0.380 1.315 368 HB2 ASP 46 1HB ASP 46 -9.741 -2.847 2.848 369 HB3 ASP 46 2HB ASP 46 -11.299 -2.087 3.164 370 H THR 47 H THR 47 -12.037 0.339 2.845 371 HA THR 47 HA THR 47 -10.813 1.784 5.098 372 HB THR 47 HB THR 47 -13.208 3.007 4.809 373 HG1 THR 47 1HG THR 47 -13.995 2.726 2.867 374 HG21 THR 47 3HG2 THR 47 -11.119 4.189 4.912 375 HG22 THR 47 1HG2 THR 47 -11.985 4.724 3.473 376 HG23 THR 47 2HG2 THR 47 -10.645 3.586 3.324 377 H TYR 48 H TYR 48 -13.043 -0.663 4.280 378 HA TYR 48 HA TYR 48 -14.967 -0.539 6.249 379 HB2 TYR 48 1HB TYR 48 -15.202 -2.218 4.602 380 HB3 TYR 48 2HB TYR 48 -13.612 -2.891 4.942 381 HD1 TYR 48 2HD TYR 48 -16.285 -1.995 7.365 382 HD2 TYR 48 1HD TYR 48 -14.089 -5.117 5.488 383 HE1 TYR 48 2HE TYR 48 -17.307 -3.626 8.897 384 HE2 TYR 48 1HE TYR 48 -15.106 -6.757 7.013 385 HH TYR 48 HH TYR 48 -17.772 -6.299 8.693 386 H ASN 49 H ASN 49 -11.809 -2.177 6.449 387 HA ASN 49 HA ASN 49 -11.685 -1.597 9.289 388 HB2 ASN 49 1HB ASN 49 -12.910 -3.814 8.997 389 HB3 ASN 49 2HB ASN 49 -11.390 -4.462 8.389 390 HD21 ASN 49 2HD2 ASN 49 -10.463 -5.643 9.886 391 HD22 ASN 49 1HD2 ASN 49 -10.347 -5.255 11.566 392 H ASN 50 H ASN 50 -10.171 -0.650 7.115 393 HA ASN 50 HA ASN 50 -8.036 -0.381 6.363 394 HB2 ASN 50 1HB ASN 50 -7.956 -0.006 8.961 395 HB3 ASN 50 2HB ASN 50 -7.027 -1.502 8.952 396 HD21 ASN 50 2HD2 ASN 50 -7.184 1.476 7.022 397 HD22 ASN 50 1HD2 ASN 50 -5.478 1.753 7.003 398 H ALA 51 H ALA 51 -8.523 -2.245 4.906 399 HA ALA 51 HA ALA 51 -6.876 -4.598 5.557 400 HB1 ALA 51 1HB ALA 51 -8.399 -5.922 4.586 401 HB2 ALA 51 2HB ALA 51 -9.485 -4.543 4.770 402 HB3 ALA 51 3HB ALA 51 -8.651 -4.810 3.240 403 H VAL 52 H VAL 52 -4.882 -4.244 4.778 404 HA VAL 52 HA VAL 52 -4.607 -3.123 2.072 405 HB VAL 52 HB VAL 52 -2.430 -3.439 4.137 406 HG11 VAL 52 1HG1 VAL 52 -2.616 -2.018 1.494 407 HG12 VAL 52 2HG1 VAL 52 -1.369 -1.648 2.687 408 HG13 VAL 52 3HG1 VAL 52 -1.472 -3.264 1.990 409 HG21 VAL 52 3HG2 VAL 52 -4.303 -1.154 3.598 410 HG22 VAL 52 1HG2 VAL 52 -3.919 -1.927 5.135 411 HG23 VAL 52 2HG2 VAL 52 -2.722 -0.908 4.338 412 H ASP 53 H ASP 53 -3.225 -4.114 0.559 413 HA ASP 53 HA ASP 53 -2.368 -6.852 1.185 414 HB2 ASP 53 1HB ASP 53 -4.107 -5.957 -1.099 415 HB3 ASP 53 2HB ASP 53 -3.119 -7.408 -1.226 416 H CYS 54 H CYS 54 -1.177 -7.662 -1.011 417 HA CYS 54 HA CYS 54 0.482 -5.548 -2.122 418 HB2 CYS 54 1HB CYS 54 2.569 -6.453 -1.405 419 HB3 CYS 54 2HB CYS 54 1.563 -6.304 0.031 420 HG CYS 54 HG CYS 54 0.867 -9.062 0.013 421 H ASP 55 H ASP 55 1.995 -6.423 -3.799 422 HA ASP 55 HA ASP 55 0.561 -8.120 -5.572 423 HB2 ASP 55 1HB ASP 55 2.193 -6.214 -6.151 424 HB3 ASP 55 2HB ASP 55 3.468 -7.400 -5.879 Start of MODEL 10 1 H1 ALA 1 H ALA 1 -15.375 1.363 2.249 2 HA ALA 1 HA ALA 1 -15.580 2.295 -0.474 3 HB1 ALA 1 1HB ALA 1 -15.390 4.450 0.344 4 HB2 ALA 1 2HB ALA 1 -14.322 3.966 1.662 5 HB3 ALA 1 3HB ALA 1 -13.711 4.025 0.009 6 H LYS 2 H LYS 2 -13.165 2.554 -1.335 7 HA LYS 2 HA LYS 2 -11.295 0.734 -0.095 8 HB2 LYS 2 1HB LYS 2 -12.863 0.006 -2.533 9 HB3 LYS 2 2HB LYS 2 -11.186 -0.512 -2.421 10 HG2 LYS 2 1HG LYS 2 -11.939 -2.284 -1.319 11 HG3 LYS 2 2HG LYS 2 -12.242 -1.195 0.037 12 HD2 LYS 2 1HD LYS 2 -14.503 -1.003 -0.461 13 HD3 LYS 2 2HD LYS 2 -14.278 -1.507 -2.137 14 HE2 LYS 2 1HE LYS 2 -13.495 -3.750 -1.022 15 HE3 LYS 2 2HE LYS 2 -14.437 -3.155 0.344 16 HZ1 LYS 2 3HZ LYS 2 -16.059 -4.249 -0.765 17 HZ2 LYS 2 1HZ LYS 2 -15.335 -4.054 -2.282 18 HZ3 LYS 2 2HZ LYS 2 -16.187 -2.772 -1.580 19 H TYR 3 H TYR 3 -9.305 0.481 -1.551 20 HA TYR 3 HA TYR 3 -8.896 2.736 -3.353 21 HB2 TYR 3 1HB TYR 3 -6.971 2.267 -1.079 22 HB3 TYR 3 2HB TYR 3 -7.016 3.625 -2.199 23 HD1 TYR 3 1HD TYR 3 -9.051 5.182 -2.084 24 HD2 TYR 3 2HD TYR 3 -8.078 2.390 0.976 25 HE1 TYR 3 1HE TYR 3 -10.433 6.451 -0.496 26 HE2 TYR 3 2HE TYR 3 -9.459 3.652 2.572 27 HH TYR 3 HH TYR 3 -11.160 6.614 1.592 28 H THR 4 H THR 4 -6.770 2.601 -4.468 29 HA THR 4 HA THR 4 -5.510 -0.022 -4.465 30 HB THR 4 HB THR 4 -6.260 0.948 -7.169 31 HG1 THR 4 1HG THR 4 -8.289 1.052 -6.381 32 HG21 THR 4 3HG2 THR 4 -4.931 -1.204 -6.318 33 HG22 THR 4 1HG2 THR 4 -5.922 -1.222 -7.777 34 HG23 THR 4 2HG2 THR 4 -6.567 -1.861 -6.264 35 H GLY 5 H GLY 5 -3.403 0.009 -5.149 36 HA2 GLY 5 1HA GLY 5 -2.266 2.043 -6.758 37 HA3 GLY 5 2HA GLY 5 -1.975 2.399 -5.062 38 H LYS 6 H LYS 6 0.287 2.179 -5.534 39 HA LYS 6 HA LYS 6 1.158 -0.603 -5.321 40 HB2 LYS 6 1HB LYS 6 2.551 1.295 -7.202 41 HB3 LYS 6 2HB LYS 6 2.785 -0.441 -7.042 42 HG2 LYS 6 1HG LYS 6 1.530 -0.415 -8.930 43 HG3 LYS 6 2HG LYS 6 0.231 -0.478 -7.736 44 HD2 LYS 6 1HD LYS 6 -0.580 1.440 -8.513 45 HD3 LYS 6 2HD LYS 6 0.942 2.246 -8.124 46 HE2 LYS 6 1HE LYS 6 0.963 2.628 -10.353 47 HE3 LYS 6 2HE LYS 6 1.661 1.010 -10.392 48 HZ1 LYS 6 3HZ LYS 6 -1.043 1.884 -11.121 49 HZ2 LYS 6 1HZ LYS 6 -0.832 0.313 -10.528 50 HZ3 LYS 6 2HZ LYS 6 -0.008 0.810 -11.919 51 H CYS 7 H CYS 7 3.495 -0.744 -4.697 52 HA CYS 7 HA CYS 7 4.205 1.527 -2.958 53 HB2 CYS 7 1HB CYS 7 5.407 -0.193 -1.568 54 HB3 CYS 7 2HB CYS 7 3.656 -0.355 -1.588 55 HG CYS 7 HG CYS 7 4.257 -2.926 -1.721 56 H THR 8 H THR 8 6.523 1.817 -2.552 57 HA THR 8 HA THR 8 8.072 1.247 -4.987 58 HB THR 8 HB THR 8 9.326 3.195 -4.622 59 HG1 THR 8 1HG THR 8 9.824 3.807 -2.664 60 HG21 THR 8 3HG2 THR 8 6.888 3.552 -5.229 61 HG22 THR 8 1HG2 THR 8 7.732 4.946 -4.554 62 HG23 THR 8 2HG2 THR 8 6.634 4.006 -3.543 63 H LYS 9 H LYS 9 10.398 0.872 -4.723 64 HA LYS 9 HA LYS 9 10.912 -1.200 -2.869 65 HB2 LYS 9 1HB LYS 9 13.033 0.358 -4.337 66 HB3 LYS 9 2HB LYS 9 13.079 -1.324 -3.824 67 HG2 LYS 9 1HG LYS 9 11.177 -1.728 -5.442 68 HG3 LYS 9 2HG LYS 9 11.501 -0.112 -6.073 69 HD2 LYS 9 1HD LYS 9 12.716 -1.567 -7.465 70 HD3 LYS 9 2HD LYS 9 13.913 -0.885 -6.361 71 HE2 LYS 9 1HE LYS 9 12.864 -3.197 -5.125 72 HE3 LYS 9 2HE LYS 9 13.214 -3.623 -6.800 73 HZ1 LYS 9 3HZ LYS 9 15.275 -2.083 -5.477 74 HZ2 LYS 9 1HZ LYS 9 15.409 -3.446 -6.470 75 HZ3 LYS 9 2HZ LYS 9 15.028 -3.628 -4.833 76 H SER 10 H SER 10 11.497 2.240 -2.829 77 HA SER 10 HA SER 10 13.401 2.297 -0.742 78 HB2 SER 10 1HB SER 10 13.112 4.626 -0.730 79 HB3 SER 10 2HB SER 10 12.713 4.175 -2.388 80 HG SER 10 HG SER 10 11.185 5.621 -1.390 81 H LYS 11 H LYS 11 10.012 1.766 -0.777 82 HA LYS 11 HA LYS 11 9.909 1.101 1.960 83 HB2 LYS 11 1HB LYS 11 9.734 3.844 1.544 84 HB3 LYS 11 2HB LYS 11 8.059 3.338 1.723 85 HG2 LYS 11 1HG LYS 11 10.225 2.623 3.682 86 HG3 LYS 11 2HG LYS 11 9.196 4.049 3.833 87 HD2 LYS 11 1HD LYS 11 7.291 2.787 4.232 88 HD3 LYS 11 2HD LYS 11 7.971 1.341 3.483 89 HE2 LYS 11 1HE LYS 11 9.177 0.776 5.352 90 HE3 LYS 11 2HE LYS 11 9.278 2.441 5.923 91 HZ1 LYS 11 3HZ LYS 11 7.009 0.561 6.140 92 HZ2 LYS 11 1HZ LYS 11 6.787 2.231 6.301 93 HZ3 LYS 11 2HZ LYS 11 7.802 1.406 7.373 94 H ASN 12 H ASN 12 8.329 -0.345 2.182 95 HA ASN 12 HA ASN 12 6.469 -0.767 0.024 96 HB2 ASN 12 1HB ASN 12 7.496 -2.686 1.124 97 HB3 ASN 12 2HB ASN 12 6.803 -2.200 2.667 98 HD21 ASN 12 2HD2 ASN 12 6.127 -4.562 2.299 99 HD22 ASN 12 1HD2 ASN 12 4.567 -4.784 1.590 100 H GLU 13 H GLU 13 5.565 1.487 0.484 101 HA GLU 13 HA GLU 13 3.369 1.261 2.436 102 HB2 GLU 13 1HB GLU 13 3.473 3.593 2.851 103 HB3 GLU 13 2HB GLU 13 5.130 3.009 2.931 104 HG2 GLU 13 1HG GLU 13 5.073 3.698 0.362 105 HG3 GLU 13 2HG GLU 13 3.841 4.804 0.968 106 H CYS 14 H CYS 14 1.320 1.816 1.793 107 HA CYS 14 HA CYS 14 0.818 1.746 -1.037 108 HB2 CYS 14 1HB CYS 14 -0.681 0.538 0.415 109 HB3 CYS 14 2HB CYS 14 -1.025 1.990 1.346 110 HG CYS 14 HG CYS 14 -1.769 2.591 -1.782 111 H LYS 15 H LYS 15 1.239 3.545 -2.161 112 HA LYS 15 HA LYS 15 0.624 6.160 -1.030 113 HB2 LYS 15 1HB LYS 15 1.721 7.005 -3.123 114 HB3 LYS 15 2HB LYS 15 2.756 6.020 -2.099 115 HG2 LYS 15 1HG LYS 15 2.948 4.384 -3.634 116 HG3 LYS 15 2HG LYS 15 1.289 4.577 -4.207 117 HD2 LYS 15 1HD LYS 15 1.862 6.356 -5.616 118 HD3 LYS 15 2HD LYS 15 3.388 6.645 -4.777 119 HE2 LYS 15 1HE LYS 15 3.750 4.099 -5.607 120 HE3 LYS 15 2HE LYS 15 2.721 4.713 -6.899 121 HZ1 LYS 15 3HZ LYS 15 4.357 5.986 -7.694 122 HZ2 LYS 15 1HZ LYS 15 5.395 5.008 -6.784 123 HZ3 LYS 15 2HZ LYS 15 4.867 6.489 -6.162 124 H TYR 16 H TYR 16 -1.721 5.573 -1.101 125 HA TYR 16 HA TYR 16 -2.877 5.869 -3.785 126 HB2 TYR 16 1HB TYR 16 -4.855 4.868 -2.964 127 HB3 TYR 16 2HB TYR 16 -3.542 3.933 -2.259 128 HD1 TYR 16 1HD TYR 16 -2.820 4.551 0.137 129 HD2 TYR 16 2HD TYR 16 -6.504 5.789 -1.595 130 HE1 TYR 16 1HE TYR 16 -3.735 4.951 2.384 131 HE2 TYR 16 2HE TYR 16 -7.429 6.194 0.647 132 HH TYR 16 HH TYR 16 -7.028 6.207 2.830 133 H LYS 17 H LYS 17 -5.337 6.863 -3.233 134 HA LYS 17 HA LYS 17 -4.893 9.405 -1.833 135 HB2 LYS 17 1HB LYS 17 -6.075 10.589 -3.678 136 HB3 LYS 17 2HB LYS 17 -4.519 9.919 -4.155 137 HG2 LYS 17 1HG LYS 17 -5.815 7.930 -5.050 138 HG3 LYS 17 2HG LYS 17 -7.265 8.913 -4.834 139 HD2 LYS 17 1HD LYS 17 -5.568 10.622 -6.153 140 HD3 LYS 17 2HD LYS 17 -5.182 9.060 -6.877 141 HE2 LYS 17 1HE LYS 17 -7.194 8.887 -7.887 142 HE3 LYS 17 2HE LYS 17 -8.051 9.627 -6.536 143 HZ1 LYS 17 3HZ LYS 17 -6.455 11.592 -7.703 144 HZ2 LYS 17 1HZ LYS 17 -8.144 11.495 -7.690 145 HZ3 LYS 17 2HZ LYS 17 -7.267 10.804 -8.961 146 H ASN 18 H ASN 18 -6.496 9.904 -0.486 147 HA ASN 18 HA ASN 18 -9.075 8.520 -0.829 148 HB2 ASN 18 1HB ASN 18 -9.260 8.236 1.457 149 HB3 ASN 18 2HB ASN 18 -7.517 8.097 1.250 150 HD21 ASN 18 2HD2 ASN 18 -6.362 10.277 1.370 151 HD22 ASN 18 1HD2 ASN 18 -6.846 11.312 2.666 152 H ASP 19 H ASP 19 -10.943 9.707 0.181 153 HA ASP 19 HA ASP 19 -12.275 11.546 0.408 154 HB2 ASP 19 1HB ASP 19 -10.172 12.412 1.661 155 HB3 ASP 19 2HB ASP 19 -9.882 13.351 0.199 156 H ALA 20 H ALA 20 -9.617 12.781 -1.621 157 HA ALA 20 HA ALA 20 -10.917 12.474 -4.083 158 HB1 ALA 20 1HB ALA 20 -11.481 14.901 -4.489 159 HB2 ALA 20 2HB ALA 20 -12.562 14.032 -3.399 160 HB3 ALA 20 3HB ALA 20 -11.349 15.134 -2.745 161 H GLY 21 H GLY 21 -8.462 11.879 -3.731 162 HA2 GLY 21 1HA GLY 21 -6.490 12.255 -4.953 163 HA3 GLY 21 2HA GLY 21 -6.976 13.928 -5.179 164 H LYS 22 H LYS 22 -7.195 12.670 -1.991 165 HA LYS 22 HA LYS 22 -5.193 14.527 -1.074 166 HB2 LYS 22 1HB LYS 22 -7.478 13.524 0.030 167 HB3 LYS 22 2HB LYS 22 -6.254 12.562 0.848 168 HG2 LYS 22 1HG LYS 22 -6.185 15.566 0.724 169 HG3 LYS 22 2HG LYS 22 -6.951 14.657 2.031 170 HD2 LYS 22 1HD LYS 22 -4.828 13.589 2.555 171 HD3 LYS 22 2HD LYS 22 -4.053 14.433 1.213 172 HE2 LYS 22 1HE LYS 22 -5.293 16.427 2.724 173 HE3 LYS 22 2HE LYS 22 -4.570 15.336 3.905 174 HZ1 LYS 22 3HZ LYS 22 -3.277 17.301 2.517 175 HZ2 LYS 22 1HZ LYS 22 -2.806 15.881 1.727 176 HZ3 LYS 22 2HZ LYS 22 -2.546 16.050 3.390 177 H ASP 23 H ASP 23 -3.105 14.099 -0.869 178 HA ASP 23 HA ASP 23 -1.934 11.634 -1.458 179 HB2 ASP 23 1HB ASP 23 -1.014 14.223 -0.375 180 HB3 ASP 23 2HB ASP 23 -0.000 12.839 0.023 181 H THR 24 H THR 24 -1.990 9.810 -0.342 182 HA THR 24 HA THR 24 -1.739 9.918 2.580 183 HB THR 24 HB THR 24 -3.765 8.237 1.091 184 HG1 THR 24 1HG THR 24 -4.362 10.063 3.154 185 HG21 THR 24 3HG2 THR 24 -2.806 6.981 2.941 186 HG22 THR 24 1HG2 THR 24 -4.454 7.471 3.333 187 HG23 THR 24 2HG2 THR 24 -3.086 8.337 4.034 188 H PHE 25 H PHE 25 -0.307 8.508 3.379 189 HA PHE 25 HA PHE 25 0.494 6.221 1.712 190 HB2 PHE 25 1HB PHE 25 2.384 8.028 3.235 191 HB3 PHE 25 2HB PHE 25 2.840 6.596 2.320 192 HD1 PHE 25 1HD PHE 25 1.392 9.986 2.008 193 HD2 PHE 25 2HD PHE 25 3.247 6.715 0.016 194 HE1 PHE 25 1HE PHE 25 1.656 11.370 -0.010 195 HE2 PHE 25 2HE PHE 25 3.515 8.093 -2.005 196 HZ PHE 25 HZ PHE 25 2.719 10.423 -2.019 197 H ILE 26 H ILE 26 0.545 4.337 2.760 198 HA ILE 26 HA ILE 26 0.887 4.309 5.667 199 HB ILE 26 HB ILE 26 -1.515 4.301 5.386 200 HG12 ILE 26 1HG1 ILE 26 -0.796 1.429 5.919 201 HG13 ILE 26 2HG1 ILE 26 -0.285 2.707 7.018 202 HG21 ILE 26 1HG2 ILE 26 -1.441 3.441 3.027 203 HG22 ILE 26 2HG2 ILE 26 -1.232 1.824 3.698 204 HG23 ILE 26 3HG2 ILE 26 -2.700 2.738 4.042 205 HD11 ILE 26 3HD1 ILE 26 -2.608 3.337 7.375 206 HD12 ILE 26 1HD1 ILE 26 -3.128 2.076 6.257 207 HD13 ILE 26 2HD1 ILE 26 -2.335 1.640 7.772 208 H LYS 27 H LYS 27 2.382 2.872 6.199 209 HA LYS 27 HA LYS 27 3.658 1.170 4.408 210 HB2 LYS 27 1HB LYS 27 4.691 0.131 6.380 211 HB3 LYS 27 2HB LYS 27 4.685 1.886 6.502 212 HG2 LYS 27 1HG LYS 27 2.590 1.646 7.900 213 HG3 LYS 27 2HG LYS 27 2.947 -0.082 7.959 214 HD2 LYS 27 1HD LYS 27 5.027 1.938 8.716 215 HD3 LYS 27 2HD LYS 27 3.791 1.440 9.874 216 HE2 LYS 27 1HE LYS 27 4.773 -0.922 8.722 217 HE3 LYS 27 2HE LYS 27 6.188 0.076 9.058 218 HZ1 LYS 27 3HZ LYS 27 4.542 0.264 11.277 219 HZ2 LYS 27 1HZ LYS 27 6.022 -0.548 11.161 220 HZ3 LYS 27 2HZ LYS 27 4.577 -1.376 10.866 221 H CYS 28 H CYS 28 3.461 -0.960 3.869 222 HA CYS 28 HA CYS 28 0.972 -2.271 4.715 223 HB2 CYS 28 1HB CYS 28 2.695 -3.014 2.349 224 HB3 CYS 28 2HB CYS 28 1.038 -3.511 2.672 225 HG CYS 28 HG CYS 28 0.558 -0.455 2.606 226 HA PRO 29 HA PRO 29 3.099 -5.436 6.886 227 HB2 PRO 29 1HB PRO 29 1.464 -7.557 6.446 228 HB3 PRO 29 2HB PRO 29 1.033 -6.221 7.518 229 HG2 PRO 29 1HG PRO 29 0.210 -6.716 4.682 230 HG3 PRO 29 2HG PRO 29 -0.771 -6.163 6.052 231 HD2 PRO 29 1HD PRO 29 0.187 -4.469 4.168 232 HD3 PRO 29 2HD PRO 29 -0.035 -3.986 5.862 233 H LYS 30 H LYS 30 4.874 -6.545 6.386 234 HA LYS 30 HA LYS 30 4.881 -8.370 4.120 235 HB2 LYS 30 1HB LYS 30 6.912 -7.443 3.150 236 HB3 LYS 30 2HB LYS 30 5.639 -6.230 3.169 237 HG2 LYS 30 1HG LYS 30 7.646 -6.358 5.382 238 HG3 LYS 30 2HG LYS 30 8.032 -5.559 3.856 239 HD2 LYS 30 1HD LYS 30 5.845 -4.270 4.191 240 HD3 LYS 30 2HD LYS 30 5.897 -4.862 5.853 241 HE2 LYS 30 1HE LYS 30 8.443 -3.912 5.474 242 HE3 LYS 30 2HE LYS 30 7.468 -2.770 4.550 243 HZ1 LYS 30 3HZ LYS 30 6.422 -2.015 6.405 244 HZ2 LYS 30 1HZ LYS 30 7.900 -2.447 7.104 245 HZ3 LYS 30 2HZ LYS 30 6.567 -3.477 7.242 246 H PHE 31 H PHE 31 4.855 -9.066 6.756 247 HA PHE 31 HA PHE 31 7.525 -9.464 7.750 248 HB2 PHE 31 1HB PHE 31 4.978 -10.781 8.703 249 HB3 PHE 31 2HB PHE 31 6.485 -10.604 9.597 250 HD1 PHE 31 1HD PHE 31 7.280 -7.975 9.591 251 HD2 PHE 31 2HD PHE 31 3.284 -9.436 9.433 252 HE1 PHE 31 1HE PHE 31 6.469 -5.854 10.538 253 HE2 PHE 31 2HE PHE 31 2.469 -7.317 10.378 254 HZ PHE 31 HZ PHE 31 4.062 -5.521 10.931 255 H ASP 32 H ASP 32 8.493 -10.596 5.999 256 HA ASP 32 HA ASP 32 9.141 -12.424 4.802 257 HB2 ASP 32 1HB ASP 32 9.277 -13.076 7.405 258 HB3 ASP 32 2HB ASP 32 8.117 -14.291 6.873 259 H ASN 33 H ASN 33 6.571 -11.484 4.155 260 HA ASN 33 HA ASN 33 5.248 -14.001 3.385 261 HB2 ASN 33 1HB ASN 33 4.015 -12.599 5.124 262 HB3 ASN 33 2HB ASN 33 3.784 -11.404 3.851 263 HD21 ASN 33 2HD2 ASN 33 3.454 -14.913 4.289 264 HD22 ASN 33 1HD2 ASN 33 1.920 -15.036 3.503 265 H LYS 34 H LYS 34 6.069 -10.696 2.525 266 HA LYS 34 HA LYS 34 6.528 -11.236 -0.166 267 HB2 LYS 34 1HB LYS 34 3.730 -10.822 0.487 268 HB3 LYS 34 2HB LYS 34 4.308 -9.618 -0.657 269 HG2 LYS 34 1HG LYS 34 4.965 -12.471 -1.165 270 HG3 LYS 34 2HG LYS 34 3.313 -11.919 -1.455 271 HD2 LYS 34 1HD LYS 34 4.699 -9.945 -2.663 272 HD3 LYS 34 2HD LYS 34 5.808 -11.297 -2.903 273 HE2 LYS 34 1HE LYS 34 4.111 -12.577 -4.004 274 HE3 LYS 34 2HE LYS 34 2.876 -11.388 -3.593 275 HZ1 LYS 34 3HZ LYS 34 5.213 -10.644 -5.234 276 HZ2 LYS 34 1HZ LYS 34 3.710 -9.876 -5.122 277 HZ3 LYS 34 2HZ LYS 34 3.848 -11.352 -5.938 278 H LYS 35 H LYS 35 8.259 -9.922 0.814 279 HA LYS 35 HA LYS 35 7.754 -7.150 1.368 280 HB2 LYS 35 1HB LYS 35 9.906 -8.991 1.733 281 HB3 LYS 35 2HB LYS 35 10.518 -7.599 0.850 282 HG2 LYS 35 1HG LYS 35 9.752 -6.109 2.584 283 HG3 LYS 35 2HG LYS 35 8.998 -7.453 3.446 284 HD2 LYS 35 1HD LYS 35 11.318 -8.491 3.540 285 HD3 LYS 35 2HD LYS 35 11.927 -6.919 3.017 286 HE2 LYS 35 1HE LYS 35 10.056 -6.985 5.321 287 HE3 LYS 35 2HE LYS 35 11.698 -7.570 5.582 288 HZ1 LYS 35 3HZ LYS 35 10.763 -4.896 5.319 289 HZ2 LYS 35 1HZ LYS 35 11.985 -5.219 4.195 290 HZ3 LYS 35 2HZ LYS 35 12.270 -5.457 5.845 291 H CYS 36 H CYS 36 7.830 -5.466 0.012 292 HA CYS 36 HA CYS 36 7.684 -5.716 -2.728 293 HB2 CYS 36 1HB CYS 36 7.859 -3.351 -2.857 294 HB3 CYS 36 2HB CYS 36 7.087 -3.696 -1.313 295 HG CYS 36 HG CYS 36 10.452 -3.284 -1.356 296 H THR 37 H THR 37 9.109 -5.443 -4.439 297 HA THR 37 HA THR 37 11.932 -5.051 -3.937 298 HB THR 37 HB THR 37 12.469 -7.184 -5.273 299 HG1 THR 37 1HG THR 37 10.645 -8.120 -5.877 300 HG21 THR 37 3HG2 THR 37 11.364 -7.714 -2.528 301 HG22 THR 37 1HG2 THR 37 12.811 -6.736 -2.773 302 HG23 THR 37 2HG2 THR 37 12.785 -8.419 -3.300 303 H LYS 38 H LYS 38 10.027 -3.551 -5.372 304 HA LYS 38 HA LYS 38 11.379 -3.026 -7.743 305 HB2 LYS 38 1HB LYS 38 9.640 -5.270 -7.968 306 HB3 LYS 38 2HB LYS 38 8.935 -3.948 -8.890 307 HG2 LYS 38 1HG LYS 38 10.614 -3.930 -10.418 308 HG3 LYS 38 2HG LYS 38 11.827 -4.476 -9.257 309 HD2 LYS 38 1HD LYS 38 11.427 -6.659 -9.670 310 HD3 LYS 38 2HD LYS 38 9.691 -6.411 -9.861 311 HE2 LYS 38 1HE LYS 38 10.903 -5.097 -12.022 312 HE3 LYS 38 2HE LYS 38 11.737 -6.643 -11.869 313 HZ1 LYS 38 3HZ LYS 38 8.790 -6.304 -12.045 314 HZ2 LYS 38 1HZ LYS 38 9.624 -7.775 -11.972 315 HZ3 LYS 38 2HZ LYS 38 9.794 -6.773 -13.323 316 H ASP 39 H ASP 39 10.906 -0.988 -8.244 317 HA ASP 39 HA ASP 39 9.142 0.606 -6.880 318 HB2 ASP 39 1HB ASP 39 11.024 1.126 -8.690 319 HB3 ASP 39 2HB ASP 39 9.621 1.270 -9.746 320 H ASN 40 H ASN 40 7.010 0.860 -6.840 321 HA ASN 40 HA ASN 40 4.801 0.661 -7.343 322 HB2 ASN 40 1HB ASN 40 5.263 0.419 -10.261 323 HB3 ASN 40 2HB ASN 40 4.175 1.486 -9.376 324 HD21 ASN 40 2HD2 ASN 40 4.993 3.417 -8.500 325 HD22 ASN 40 1HD2 ASN 40 6.448 4.128 -9.103 326 H ASN 41 H ASN 41 5.133 -1.537 -6.389 327 HA ASN 41 HA ASN 41 5.071 -3.739 -8.289 328 HB2 ASN 41 1HB ASN 41 5.666 -3.419 -5.448 329 HB3 ASN 41 2HB ASN 41 4.642 -4.815 -5.771 330 HD21 ASN 41 2HD2 ASN 41 6.591 -5.916 -4.941 331 HD22 ASN 41 1HD2 ASN 41 7.831 -6.330 -6.072 332 H LYS 42 H LYS 42 3.160 -3.376 -5.330 333 HA LYS 42 HA LYS 42 0.659 -2.968 -6.490 334 HB2 LYS 42 1HB LYS 42 0.802 -5.063 -7.593 335 HB3 LYS 42 2HB LYS 42 1.440 -5.859 -6.161 336 HG2 LYS 42 1HG LYS 42 -0.604 -6.128 -5.227 337 HG3 LYS 42 2HG LYS 42 -1.242 -4.638 -5.924 338 HD2 LYS 42 1HD LYS 42 -0.567 -6.809 -7.819 339 HD3 LYS 42 2HD LYS 42 -1.961 -7.079 -6.769 340 HE2 LYS 42 1HE LYS 42 -3.207 -5.528 -7.820 341 HE3 LYS 42 2HE LYS 42 -1.849 -4.419 -8.005 342 HZ1 LYS 42 3HZ LYS 42 -2.944 -6.247 -9.887 343 HZ2 LYS 42 1HZ LYS 42 -1.289 -6.527 -9.671 344 HZ3 LYS 42 2HZ LYS 42 -1.835 -4.995 -10.132 345 H CYS 43 H CYS 43 -0.954 -2.790 -4.953 346 HA CYS 43 HA CYS 43 -0.799 -3.926 -2.359 347 HB2 CYS 43 1HB CYS 43 -0.348 -1.937 -1.047 348 HB3 CYS 43 2HB CYS 43 0.995 -2.224 -2.148 349 HG CYS 43 HG CYS 43 -1.472 -0.039 -3.005 350 H THR 44 H THR 44 -2.664 -3.567 -1.144 351 HA THR 44 HA THR 44 -4.723 -1.875 -2.389 352 HB THR 44 HB THR 44 -6.275 -3.850 -1.426 353 HG1 THR 44 1HG THR 44 -5.105 -5.820 -2.268 354 HG21 THR 44 3HG2 THR 44 -5.966 -4.836 -3.872 355 HG22 THR 44 1HG2 THR 44 -5.051 -3.345 -4.090 356 HG23 THR 44 2HG2 THR 44 -6.742 -3.278 -3.591 357 H VAL 45 H VAL 45 -6.486 -1.289 -0.942 358 HA VAL 45 HA VAL 45 -6.047 -1.678 1.905 359 HB VAL 45 HB VAL 45 -6.031 1.079 0.670 360 HG11 VAL 45 1HG1 VAL 45 -7.339 1.061 2.716 361 HG12 VAL 45 2HG1 VAL 45 -6.026 0.246 3.570 362 HG13 VAL 45 3HG1 VAL 45 -5.806 1.893 2.977 363 HG21 VAL 45 3HG2 VAL 45 -3.923 -0.423 2.220 364 HG22 VAL 45 1HG2 VAL 45 -3.880 -0.033 0.501 365 HG23 VAL 45 2HG2 VAL 45 -3.805 1.259 1.700 366 H ASP 46 H ASP 46 -7.903 -1.609 3.067 367 HA ASP 46 HA ASP 46 -10.348 -0.808 1.626 368 HB2 ASP 46 1HB ASP 46 -9.880 -3.319 2.275 369 HB3 ASP 46 2HB ASP 46 -10.425 -2.790 3.865 370 H THR 47 H THR 47 -12.100 0.011 2.943 371 HA THR 47 HA THR 47 -11.084 1.588 5.194 372 HB THR 47 HB THR 47 -12.946 3.056 4.891 373 HG1 THR 47 1HG THR 47 -14.761 2.340 4.085 374 HG21 THR 47 3HG2 THR 47 -11.960 4.025 3.144 375 HG22 THR 47 1HG2 THR 47 -12.631 2.818 2.049 376 HG23 THR 47 2HG2 THR 47 -11.085 2.523 2.846 377 H TYR 48 H TYR 48 -12.824 -1.213 4.614 378 HA TYR 48 HA TYR 48 -14.907 -1.209 6.422 379 HB2 TYR 48 1HB TYR 48 -14.601 -3.082 4.955 380 HB3 TYR 48 2HB TYR 48 -13.024 -3.441 5.647 381 HD1 TYR 48 2HD TYR 48 -16.627 -3.228 6.586 382 HD2 TYR 48 1HD TYR 48 -12.848 -5.041 7.322 383 HE1 TYR 48 2HE TYR 48 -17.684 -4.774 8.181 384 HE2 TYR 48 1HE TYR 48 -13.895 -6.591 8.917 385 HH TYR 48 HH TYR 48 -15.776 -7.231 9.899 386 H ASN 49 H ASN 49 -11.523 -2.129 7.043 387 HA ASN 49 HA ASN 49 -11.798 -1.234 9.794 388 HB2 ASN 49 1HB ASN 49 -10.824 -3.370 10.670 389 HB3 ASN 49 2HB ASN 49 -12.457 -3.536 10.034 390 HD21 ASN 49 2HD2 ASN 49 -11.758 -5.823 10.019 391 HD22 ASN 49 1HD2 ASN 49 -10.957 -6.412 8.605 392 H ASN 50 H ASN 50 -10.348 -0.170 7.629 393 HA ASN 50 HA ASN 50 -8.271 0.528 6.997 394 HB2 ASN 50 1HB ASN 50 -8.528 1.181 9.524 395 HB3 ASN 50 2HB ASN 50 -7.289 -0.045 9.769 396 HD21 ASN 50 2HD2 ASN 50 -7.828 2.409 7.266 397 HD22 ASN 50 1HD2 ASN 50 -6.274 3.148 7.416 398 H ALA 51 H ALA 51 -8.440 -1.808 5.967 399 HA ALA 51 HA ALA 51 -6.358 -3.586 6.964 400 HB1 ALA 51 1HB ALA 51 -8.572 -3.825 4.997 401 HB2 ALA 51 2HB ALA 51 -7.167 -4.875 4.806 402 HB3 ALA 51 3HB ALA 51 -8.096 -4.909 6.305 403 H VAL 52 H VAL 52 -4.448 -4.007 5.937 404 HA VAL 52 HA VAL 52 -3.881 -2.544 3.450 405 HB VAL 52 HB VAL 52 -1.908 -2.730 5.723 406 HG11 VAL 52 1HG1 VAL 52 -0.834 -0.860 4.401 407 HG12 VAL 52 2HG1 VAL 52 -0.788 -2.460 3.657 408 HG13 VAL 52 3HG1 VAL 52 -1.954 -1.259 3.099 409 HG21 VAL 52 3HG2 VAL 52 -4.008 -0.705 5.136 410 HG22 VAL 52 1HG2 VAL 52 -3.400 -1.287 6.685 411 HG23 VAL 52 2HG2 VAL 52 -2.447 -0.148 5.736 412 H ASP 53 H ASP 53 -2.959 -3.761 1.932 413 HA ASP 53 HA ASP 53 -1.681 -6.286 2.757 414 HB2 ASP 53 1HB ASP 53 -3.401 -5.723 0.336 415 HB3 ASP 53 2HB ASP 53 -2.448 -7.191 0.537 416 H CYS 54 H CYS 54 -0.218 -7.161 0.960 417 HA CYS 54 HA CYS 54 1.240 -4.946 -0.319 418 HB2 CYS 54 1HB CYS 54 3.348 -5.951 0.260 419 HB3 CYS 54 2HB CYS 54 2.399 -5.787 1.733 420 HG CYS 54 HG CYS 54 3.526 -8.167 2.169 421 H ASP 55 H ASP 55 2.730 -5.733 -2.071 422 HA ASP 55 HA ASP 55 1.266 -7.196 -3.981 423 HB2 ASP 55 1HB ASP 55 2.835 -5.577 -4.762 424 HB3 ASP 55 2HB ASP 55 4.158 -6.334 -3.877 Start of MODEL 11 1 H1 ALA 1 H ALA 1 -15.973 0.969 1.749 2 HA ALA 1 HA ALA 1 -15.775 2.023 -0.715 3 HB1 ALA 1 1HB ALA 1 -13.944 3.914 0.370 4 HB2 ALA 1 2HB ALA 1 -15.367 4.201 -0.633 5 HB3 ALA 1 3HB ALA 1 -15.520 4.157 1.124 6 H LYS 2 H LYS 2 -13.257 2.542 -1.303 7 HA LYS 2 HA LYS 2 -11.437 0.913 0.250 8 HB2 LYS 2 1HB LYS 2 -12.348 0.115 -2.513 9 HB3 LYS 2 2HB LYS 2 -10.848 -0.465 -1.802 10 HG2 LYS 2 1HG LYS 2 -12.334 -1.242 0.154 11 HG3 LYS 2 2HG LYS 2 -13.666 -1.044 -0.987 12 HD2 LYS 2 1HD LYS 2 -12.982 -3.314 -1.119 13 HD3 LYS 2 2HD LYS 2 -12.378 -2.517 -2.574 14 HE2 LYS 2 1HE LYS 2 -10.171 -2.342 -1.602 15 HE3 LYS 2 2HE LYS 2 -10.756 -3.012 -0.079 16 HZ1 LYS 2 3HZ LYS 2 -11.450 -4.982 -1.618 17 HZ2 LYS 2 1HZ LYS 2 -9.859 -4.854 -1.056 18 HZ3 LYS 2 2HZ LYS 2 -10.241 -4.366 -2.629 19 H TYR 3 H TYR 3 -9.253 0.775 -0.993 20 HA TYR 3 HA TYR 3 -8.784 3.147 -2.635 21 HB2 TYR 3 1HB TYR 3 -7.063 2.573 -0.223 22 HB3 TYR 3 2HB TYR 3 -7.027 3.994 -1.260 23 HD1 TYR 3 2HD TYR 3 -9.256 5.384 -1.327 24 HD2 TYR 3 1HD TYR 3 -8.214 2.674 1.784 25 HE1 TYR 3 2HE TYR 3 -10.817 6.533 0.188 26 HE2 TYR 3 1HE TYR 3 -9.773 3.815 3.307 27 HH TYR 3 HH TYR 3 -10.766 6.337 3.375 28 H THR 4 H THR 4 -7.781 2.441 -4.385 29 HA THR 4 HA THR 4 -5.993 0.119 -4.174 30 HB THR 4 HB THR 4 -7.879 -0.034 -5.794 31 HG1 THR 4 1HG THR 4 -6.421 -1.340 -6.609 32 HG21 THR 4 3HG2 THR 4 -7.844 2.384 -6.432 33 HG22 THR 4 1HG2 THR 4 -7.884 1.279 -7.805 34 HG23 THR 4 2HG2 THR 4 -6.373 2.068 -7.351 35 H GLY 5 H GLY 5 -3.876 0.221 -4.754 36 HA2 GLY 5 1HA GLY 5 -2.803 2.437 -6.244 37 HA3 GLY 5 2HA GLY 5 -2.398 2.501 -4.536 38 H LYS 6 H LYS 6 -0.178 2.300 -5.115 39 HA LYS 6 HA LYS 6 0.601 -0.491 -5.544 40 HB2 LYS 6 1HB LYS 6 2.074 1.752 -6.909 41 HB3 LYS 6 2HB LYS 6 2.211 0.023 -7.199 42 HG2 LYS 6 1HG LYS 6 -0.081 0.022 -8.106 43 HG3 LYS 6 2HG LYS 6 -0.141 1.773 -7.886 44 HD2 LYS 6 1HD LYS 6 0.470 1.561 -10.114 45 HD3 LYS 6 2HD LYS 6 2.025 1.780 -9.308 46 HE2 LYS 6 1HE LYS 6 2.330 -0.001 -10.823 47 HE3 LYS 6 2HE LYS 6 2.186 -0.745 -9.232 48 HZ1 LYS 6 3HZ LYS 6 0.594 -1.998 -10.103 49 HZ2 LYS 6 1HZ LYS 6 0.556 -1.097 -11.535 50 HZ3 LYS 6 2HZ LYS 6 -0.378 -0.618 -10.210 51 H CYS 7 H CYS 7 3.280 -0.323 -5.441 52 HA CYS 7 HA CYS 7 3.856 1.127 -2.943 53 HB2 CYS 7 1HB CYS 7 3.769 -1.669 -3.306 54 HB3 CYS 7 2HB CYS 7 5.473 -1.244 -3.196 55 HG CYS 7 HG CYS 7 3.387 -1.689 -0.780 56 H THR 8 H THR 8 6.450 0.791 -2.607 57 HA THR 8 HA THR 8 7.847 1.280 -5.120 58 HB THR 8 HB THR 8 7.245 3.520 -4.600 59 HG1 THR 8 1HG THR 8 9.299 3.797 -5.108 60 HG21 THR 8 3HG2 THR 8 6.550 3.171 -2.276 61 HG22 THR 8 1HG2 THR 8 7.645 4.547 -2.413 62 HG23 THR 8 2HG2 THR 8 8.238 3.006 -1.793 63 H LYS 9 H LYS 9 9.933 0.619 -5.094 64 HA LYS 9 HA LYS 9 10.852 -1.146 -3.167 65 HB2 LYS 9 1HB LYS 9 12.517 0.525 -5.060 66 HB3 LYS 9 2HB LYS 9 13.054 -0.933 -4.235 67 HG2 LYS 9 1HG LYS 9 11.791 -2.317 -5.568 68 HG3 LYS 9 2HG LYS 9 10.644 -1.043 -5.987 69 HD2 LYS 9 1HD LYS 9 12.071 -1.625 -7.889 70 HD3 LYS 9 2HD LYS 9 12.338 0.041 -7.370 71 HE2 LYS 9 1HE LYS 9 14.086 -1.827 -6.001 72 HE3 LYS 9 2HE LYS 9 14.273 -1.908 -7.752 73 HZ1 LYS 9 3HZ LYS 9 14.135 0.787 -6.934 74 HZ2 LYS 9 1HZ LYS 9 15.400 -0.020 -7.716 75 HZ3 LYS 9 2HZ LYS 9 15.322 -0.007 -6.027 76 H SER 10 H SER 10 11.130 2.327 -3.321 77 HA SER 10 HA SER 10 13.219 2.720 -1.499 78 HB2 SER 10 1HB SER 10 12.579 4.970 -1.449 79 HB3 SER 10 2HB SER 10 11.972 4.426 -3.013 80 HG SER 10 HG SER 10 10.581 5.108 -0.694 81 H LYS 11 H LYS 11 9.943 1.749 -1.023 82 HA LYS 11 HA LYS 11 10.349 1.027 1.663 83 HB2 LYS 11 1HB LYS 11 9.876 3.745 1.407 84 HB3 LYS 11 2HB LYS 11 8.290 3.092 1.801 85 HG2 LYS 11 1HG LYS 11 10.582 2.165 3.433 86 HG3 LYS 11 2HG LYS 11 10.039 3.829 3.657 87 HD2 LYS 11 1HD LYS 11 8.036 3.201 4.542 88 HD3 LYS 11 2HD LYS 11 7.957 1.717 3.590 89 HE2 LYS 11 1HE LYS 11 9.355 0.561 5.058 90 HE3 LYS 11 2HE LYS 11 9.980 2.044 5.777 91 HZ1 LYS 11 3HZ LYS 11 7.913 2.407 6.880 92 HZ2 LYS 11 1HZ LYS 11 8.393 0.818 7.206 93 HZ3 LYS 11 2HZ LYS 11 7.177 1.118 6.070 94 H ASN 12 H ASN 12 8.925 -0.525 2.149 95 HA ASN 12 HA ASN 12 6.830 -1.143 0.278 96 HB2 ASN 12 1HB ASN 12 8.248 -2.880 1.388 97 HB3 ASN 12 2HB ASN 12 7.457 -2.490 2.912 98 HD21 ASN 12 2HD2 ASN 12 5.462 -3.280 3.333 99 HD22 ASN 12 1HD2 ASN 12 4.606 -4.349 2.280 100 H GLU 13 H GLU 13 5.749 0.991 0.753 101 HA GLU 13 HA GLU 13 3.820 0.623 2.947 102 HB2 GLU 13 1HB GLU 13 3.864 2.919 3.488 103 HB3 GLU 13 2HB GLU 13 5.551 2.449 3.337 104 HG2 GLU 13 1HG GLU 13 5.625 3.402 1.094 105 HG3 GLU 13 2HG GLU 13 3.928 3.862 1.231 106 H CYS 14 H CYS 14 1.703 1.002 2.482 107 HA CYS 14 HA CYS 14 0.843 0.839 -0.179 108 HB2 CYS 14 1HB CYS 14 -0.575 0.040 1.596 109 HB3 CYS 14 2HB CYS 14 -0.639 1.638 2.329 110 HG CYS 14 HG CYS 14 -1.796 2.416 -0.424 111 H LYS 15 H LYS 15 0.259 2.315 -1.674 112 HA LYS 15 HA LYS 15 0.367 5.156 -0.894 113 HB2 LYS 15 1HB LYS 15 2.342 4.750 -2.155 114 HB3 LYS 15 2HB LYS 15 1.469 3.797 -3.350 115 HG2 LYS 15 1HG LYS 15 0.369 5.757 -4.191 116 HG3 LYS 15 2HG LYS 15 1.065 6.747 -2.907 117 HD2 LYS 15 1HD LYS 15 2.569 7.226 -4.540 118 HD3 LYS 15 2HD LYS 15 3.320 5.749 -3.931 119 HE2 LYS 15 1HE LYS 15 3.165 4.900 -5.979 120 HE3 LYS 15 2HE LYS 15 1.411 4.914 -5.801 121 HZ1 LYS 15 3HZ LYS 15 2.121 7.495 -6.455 122 HZ2 LYS 15 1HZ LYS 15 1.364 6.363 -7.459 123 HZ3 LYS 15 2HZ LYS 15 3.049 6.514 -7.473 124 H TYR 16 H TYR 16 -1.799 5.544 -0.762 125 HA TYR 16 HA TYR 16 -3.326 5.217 -3.258 126 HB2 TYR 16 1HB TYR 16 -5.293 4.622 -2.054 127 HB3 TYR 16 2HB TYR 16 -4.000 3.604 -1.430 128 HD1 TYR 16 2HD TYR 16 -2.911 4.258 0.768 129 HD2 TYR 16 1HD TYR 16 -6.526 6.020 -0.621 130 HE1 TYR 16 2HE TYR 16 -3.412 5.015 3.053 131 HE2 TYR 16 1HE TYR 16 -7.036 6.784 1.660 132 HH TYR 16 HH TYR 16 -6.308 5.905 4.102 133 H LYS 17 H LYS 17 -5.444 6.620 -3.039 134 HA LYS 17 HA LYS 17 -4.651 9.264 -2.006 135 HB2 LYS 17 1HB LYS 17 -5.745 8.444 -4.646 136 HB3 LYS 17 2HB LYS 17 -6.321 9.966 -3.976 137 HG2 LYS 17 1HG LYS 17 -4.537 10.860 -4.967 138 HG3 LYS 17 2HG LYS 17 -3.623 10.176 -3.621 139 HD2 LYS 17 1HD LYS 17 -3.758 8.039 -5.277 140 HD3 LYS 17 2HD LYS 17 -3.738 9.359 -6.449 141 HE2 LYS 17 1HE LYS 17 -1.798 9.682 -4.291 142 HE3 LYS 17 2HE LYS 17 -1.534 8.232 -5.260 143 HZ1 LYS 17 3HZ LYS 17 -1.147 9.456 -7.146 144 HZ2 LYS 17 1HZ LYS 17 -0.482 10.476 -5.970 145 HZ3 LYS 17 2HZ LYS 17 -2.015 10.802 -6.604 146 H ASN 18 H ASN 18 -6.026 10.206 -0.638 147 HA ASN 18 HA ASN 18 -8.765 9.130 -0.469 148 HB2 ASN 18 1HB ASN 18 -8.690 9.116 1.831 149 HB3 ASN 18 2HB ASN 18 -7.000 8.773 1.473 150 HD21 ASN 18 2HD2 ASN 18 -5.712 10.907 1.094 151 HD22 ASN 18 1HD2 ASN 18 -5.927 12.100 2.324 152 H ASP 19 H ASP 19 -10.307 10.700 0.600 153 HA ASP 19 HA ASP 19 -11.345 12.729 0.714 154 HB2 ASP 19 1HB ASP 19 -8.990 13.428 1.557 155 HB3 ASP 19 2HB ASP 19 -8.794 14.119 -0.051 156 H ALA 20 H ALA 20 -8.866 13.289 -1.785 157 HA ALA 20 HA ALA 20 -10.633 12.922 -3.967 158 HB1 ALA 20 1HB ALA 20 -10.968 15.190 -4.688 159 HB2 ALA 20 2HB ALA 20 -11.580 15.019 -3.043 160 HB3 ALA 20 3HB ALA 20 -10.028 15.804 -3.329 161 H GLY 21 H GLY 21 -8.056 12.046 -3.345 162 HA2 GLY 21 1HA GLY 21 -6.388 11.644 -5.061 163 HA3 GLY 21 2HA GLY 21 -6.524 13.337 -5.511 164 H LYS 22 H LYS 22 -6.532 12.709 -2.153 165 HA LYS 22 HA LYS 22 -3.981 14.038 -1.864 166 HB2 LYS 22 1HB LYS 22 -6.325 13.762 -0.297 167 HB3 LYS 22 2HB LYS 22 -5.005 13.057 0.628 168 HG2 LYS 22 1HG LYS 22 -4.864 15.794 -0.605 169 HG3 LYS 22 2HG LYS 22 -5.454 15.496 1.032 170 HD2 LYS 22 1HD LYS 22 -3.222 14.249 1.370 171 HD3 LYS 22 2HD LYS 22 -2.697 15.104 -0.082 172 HE2 LYS 22 1HE LYS 22 -3.367 17.239 1.042 173 HE3 LYS 22 2HE LYS 22 -3.646 16.308 2.512 174 HZ1 LYS 22 3HZ LYS 22 -1.435 15.974 2.834 175 HZ2 LYS 22 1HZ LYS 22 -1.355 17.464 2.037 176 HZ3 LYS 22 2HZ LYS 22 -1.052 16.033 1.187 177 H ASP 23 H ASP 23 -2.158 12.920 -2.018 178 HA ASP 23 HA ASP 23 -1.885 10.160 -1.939 179 HB2 ASP 23 1HB ASP 23 0.301 12.071 -1.118 180 HB3 ASP 23 2HB ASP 23 0.469 10.505 -1.907 181 H THR 24 H THR 24 -1.981 8.723 -0.354 182 HA THR 24 HA THR 24 -1.303 9.569 2.380 183 HB THR 24 HB THR 24 -3.670 7.838 1.636 184 HG1 THR 24 1HG THR 24 -4.808 9.667 2.620 185 HG21 THR 24 3HG2 THR 24 -2.902 7.029 3.701 186 HG22 THR 24 1HG2 THR 24 -4.165 8.182 4.129 187 HG23 THR 24 2HG2 THR 24 -2.468 8.639 4.271 188 H PHE 25 H PHE 25 -0.348 8.016 3.684 189 HA PHE 25 HA PHE 25 0.121 5.364 2.539 190 HB2 PHE 25 1HB PHE 25 2.390 6.990 3.682 191 HB3 PHE 25 2HB PHE 25 2.485 5.461 2.815 192 HD1 PHE 25 2HD PHE 25 1.858 9.072 2.469 193 HD2 PHE 25 1HD PHE 25 2.525 5.388 0.444 194 HE1 PHE 25 2HE PHE 25 2.198 10.296 0.362 195 HE2 PHE 25 1HE PHE 25 2.867 6.606 -1.666 196 HZ PHE 25 HZ PHE 25 2.702 9.063 -1.709 197 H ILE 26 H ILE 26 1.007 3.829 4.125 198 HA ILE 26 HA ILE 26 1.107 4.454 6.890 199 HB ILE 26 HB ILE 26 -1.363 4.588 6.497 200 HG12 ILE 26 1HG1 ILE 26 -1.105 2.234 8.249 201 HG13 ILE 26 2HG1 ILE 26 0.023 3.538 8.604 202 HG21 ILE 26 1HG2 ILE 26 -1.434 1.617 6.284 203 HG22 ILE 26 2HG2 ILE 26 -2.626 2.813 5.776 204 HG23 ILE 26 3HG2 ILE 26 -1.158 2.574 4.828 205 HD11 ILE 26 3HD1 ILE 26 -1.577 4.844 9.452 206 HD12 ILE 26 1HD1 ILE 26 -2.734 4.415 8.193 207 HD13 ILE 26 2HD1 ILE 26 -2.500 3.347 9.577 208 H LYS 27 H LYS 27 2.754 3.087 5.071 209 HA LYS 27 HA LYS 27 3.990 1.190 4.849 210 HB2 LYS 27 1HB LYS 27 4.694 0.328 6.818 211 HB3 LYS 27 2HB LYS 27 3.718 1.618 7.509 212 HG2 LYS 27 1HG LYS 27 1.836 -0.268 7.285 213 HG3 LYS 27 2HG LYS 27 3.259 -1.296 7.466 214 HD2 LYS 27 1HD LYS 27 3.799 -0.345 9.561 215 HD3 LYS 27 2HD LYS 27 2.674 0.995 9.326 216 HE2 LYS 27 1HE LYS 27 1.553 -1.748 9.270 217 HE3 LYS 27 2HE LYS 27 2.097 -1.132 10.830 218 HZ1 LYS 27 3HZ LYS 27 0.288 0.431 9.090 219 HZ2 LYS 27 1HZ LYS 27 0.579 0.621 10.746 220 HZ3 LYS 27 2HZ LYS 27 -0.305 -0.710 10.189 221 H CYS 28 H CYS 28 3.860 -1.307 4.949 222 HA CYS 28 HA CYS 28 1.118 -2.200 4.378 223 HB2 CYS 28 1HB CYS 28 3.425 -2.136 2.571 224 HB3 CYS 28 2HB CYS 28 2.647 -3.711 2.660 225 HG CYS 28 HG CYS 28 1.728 -1.064 0.981 226 HA PRO 29 HA PRO 29 2.033 -5.611 6.990 227 HB2 PRO 29 1HB PRO 29 0.371 -7.486 5.945 228 HB3 PRO 29 2HB PRO 29 -0.207 -6.111 6.894 229 HG2 PRO 29 1HG PRO 29 -0.137 -6.463 3.922 230 HG3 PRO 29 2HG PRO 29 -1.426 -5.793 4.940 231 HD2 PRO 29 1HD PRO 29 0.290 -4.230 3.546 232 HD3 PRO 29 2HD PRO 29 -0.399 -3.737 5.107 233 H LYS 30 H LYS 30 4.237 -5.834 6.176 234 HA LYS 30 HA LYS 30 4.624 -8.415 4.924 235 HB2 LYS 30 1HB LYS 30 5.565 -5.847 3.659 236 HB3 LYS 30 2HB LYS 30 6.327 -7.394 3.314 237 HG2 LYS 30 1HG LYS 30 3.434 -6.707 2.835 238 HG3 LYS 30 2HG LYS 30 4.698 -6.802 1.606 239 HD2 LYS 30 1HD LYS 30 5.043 -9.197 2.308 240 HD3 LYS 30 2HD LYS 30 3.581 -9.041 3.284 241 HE2 LYS 30 1HE LYS 30 3.571 -8.343 0.370 242 HE3 LYS 30 2HE LYS 30 3.398 -10.017 0.897 243 HZ1 LYS 30 3HZ LYS 30 1.398 -9.559 1.952 244 HZ2 LYS 30 1HZ LYS 30 1.293 -8.643 0.534 245 HZ3 LYS 30 2HZ LYS 30 1.672 -7.891 1.999 246 H PHE 31 H PHE 31 5.178 -8.232 7.399 247 HA PHE 31 HA PHE 31 7.773 -7.125 7.978 248 HB2 PHE 31 1HB PHE 31 6.155 -9.028 9.680 249 HB3 PHE 31 2HB PHE 31 7.441 -7.949 10.213 250 HD1 PHE 31 2HD PHE 31 7.055 -5.527 10.335 251 HD2 PHE 31 1HD PHE 31 3.930 -8.247 9.356 252 HE1 PHE 31 2HE PHE 31 5.389 -3.782 10.819 253 HE2 PHE 31 1HE PHE 31 2.259 -6.505 9.838 254 HZ PHE 31 HZ PHE 31 2.988 -4.270 10.572 255 H ASP 32 H ASP 32 9.262 -8.148 6.673 256 HA ASP 32 HA ASP 32 10.665 -9.780 5.920 257 HB2 ASP 32 1HB ASP 32 10.330 -10.185 8.808 258 HB3 ASP 32 2HB ASP 32 10.905 -11.612 7.950 259 H ASN 33 H ASN 33 9.136 -10.520 4.343 260 HA ASN 33 HA ASN 33 8.750 -13.283 4.323 261 HB2 ASN 33 1HB ASN 33 7.019 -13.159 5.905 262 HB3 ASN 33 2HB ASN 33 6.374 -11.672 5.217 263 HD21 ASN 33 2HD2 ASN 33 4.483 -11.990 4.320 264 HD22 ASN 33 1HD2 ASN 33 4.002 -13.380 3.413 265 H LYS 34 H LYS 34 7.678 -10.143 3.187 266 HA LYS 34 HA LYS 34 8.164 -10.812 0.472 267 HB2 LYS 34 1HB LYS 34 5.422 -11.114 1.511 268 HB3 LYS 34 2HB LYS 34 5.554 -10.162 0.038 269 HG2 LYS 34 1HG LYS 34 5.764 -11.998 -1.176 270 HG3 LYS 34 2HG LYS 34 7.150 -12.519 -0.216 271 HD2 LYS 34 1HD LYS 34 5.539 -13.413 1.476 272 HD3 LYS 34 2HD LYS 34 4.234 -13.046 0.346 273 HE2 LYS 34 1HE LYS 34 5.933 -14.442 -1.245 274 HE3 LYS 34 2HE LYS 34 6.220 -15.214 0.314 275 HZ1 LYS 34 3HZ LYS 34 4.210 -16.165 0.295 276 HZ2 LYS 34 1HZ LYS 34 4.220 -15.850 -1.367 277 HZ3 LYS 34 2HZ LYS 34 3.435 -14.789 -0.311 278 H LYS 35 H LYS 35 9.394 -8.862 1.366 279 HA LYS 35 HA LYS 35 7.945 -6.390 1.568 280 HB2 LYS 35 1HB LYS 35 10.624 -7.314 2.073 281 HB3 LYS 35 2HB LYS 35 10.673 -5.848 1.103 282 HG2 LYS 35 1HG LYS 35 9.146 -4.796 2.797 283 HG3 LYS 35 2HG LYS 35 9.402 -6.226 3.801 284 HD2 LYS 35 1HD LYS 35 11.939 -5.290 2.919 285 HD3 LYS 35 2HD LYS 35 11.036 -3.916 3.561 286 HE2 LYS 35 1HE LYS 35 11.939 -4.674 5.503 287 HE3 LYS 35 2HE LYS 35 10.487 -5.674 5.476 288 HZ1 LYS 35 3HZ LYS 35 12.583 -6.895 5.958 289 HZ2 LYS 35 1HZ LYS 35 13.101 -6.553 4.385 290 HZ3 LYS 35 2HZ LYS 35 11.723 -7.500 4.634 291 H CYS 36 H CYS 36 8.173 -4.581 0.142 292 HA CYS 36 HA CYS 36 7.661 -5.087 -2.516 293 HB2 CYS 36 1HB CYS 36 7.192 -2.938 -1.411 294 HB3 CYS 36 2HB CYS 36 8.916 -2.591 -1.352 295 HG CYS 36 HG CYS 36 6.900 -2.692 -4.103 296 H THR 37 H THR 37 8.851 -5.037 -4.415 297 HA THR 37 HA THR 37 11.724 -4.695 -4.329 298 HB THR 37 HB THR 37 12.033 -6.967 -5.498 299 HG1 THR 37 1HG THR 37 10.450 -8.528 -4.733 300 HG21 THR 37 3HG2 THR 37 12.722 -7.907 -3.515 301 HG22 THR 37 1HG2 THR 37 11.296 -7.358 -2.633 302 HG23 THR 37 2HG2 THR 37 12.580 -6.215 -3.035 303 H LYS 38 H LYS 38 9.712 -3.256 -5.648 304 HA LYS 38 HA LYS 38 10.739 -3.063 -8.230 305 HB2 LYS 38 1HB LYS 38 8.755 -5.133 -7.930 306 HB3 LYS 38 2HB LYS 38 8.160 -3.878 -9.009 307 HG2 LYS 38 1HG LYS 38 10.923 -4.794 -9.479 308 HG3 LYS 38 2HG LYS 38 9.638 -5.955 -9.824 309 HD2 LYS 38 1HD LYS 38 9.608 -3.133 -10.870 310 HD3 LYS 38 2HD LYS 38 10.360 -4.467 -11.747 311 HE2 LYS 38 1HE LYS 38 8.387 -5.163 -12.500 312 HE3 LYS 38 2HE LYS 38 7.721 -5.200 -10.868 313 HZ1 LYS 38 3HZ LYS 38 7.906 -2.773 -12.568 314 HZ2 LYS 38 1HZ LYS 38 7.189 -2.873 -11.039 315 HZ3 LYS 38 2HZ LYS 38 6.505 -3.697 -12.349 316 H ASP 39 H ASP 39 10.420 -0.996 -8.688 317 HA ASP 39 HA ASP 39 8.823 0.759 -7.300 318 HB2 ASP 39 1HB ASP 39 10.385 1.852 -8.589 319 HB3 ASP 39 2HB ASP 39 10.105 0.824 -9.991 320 H ASN 40 H ASN 40 6.711 1.130 -7.188 321 HA ASN 40 HA ASN 40 4.477 1.028 -7.599 322 HB2 ASN 40 1HB ASN 40 5.582 1.295 -10.388 323 HB3 ASN 40 2HB ASN 40 3.849 1.192 -10.094 324 HD21 ASN 40 2HD2 ASN 40 6.507 2.838 -8.418 325 HD22 ASN 40 1HD2 ASN 40 5.794 4.411 -8.475 326 H ASN 41 H ASN 41 4.824 -1.232 -6.722 327 HA ASN 41 HA ASN 41 4.593 -3.383 -8.642 328 HB2 ASN 41 1HB ASN 41 5.100 -3.134 -5.759 329 HB3 ASN 41 2HB ASN 41 4.098 -4.517 -6.191 330 HD21 ASN 41 2HD2 ASN 41 6.733 -4.584 -5.111 331 HD22 ASN 41 1HD2 ASN 41 7.746 -5.363 -6.274 332 H LYS 42 H LYS 42 2.666 -2.995 -5.700 333 HA LYS 42 HA LYS 42 0.202 -2.435 -6.887 334 HB2 LYS 42 1HB LYS 42 0.277 -4.527 -8.018 335 HB3 LYS 42 2HB LYS 42 0.824 -5.368 -6.575 336 HG2 LYS 42 1HG LYS 42 -1.276 -5.360 -5.611 337 HG3 LYS 42 2HG LYS 42 -1.834 -4.006 -6.597 338 HD2 LYS 42 1HD LYS 42 -1.076 -6.561 -7.938 339 HD3 LYS 42 2HD LYS 42 -2.629 -6.457 -7.105 340 HE2 LYS 42 1HE LYS 42 -2.352 -4.102 -8.635 341 HE3 LYS 42 2HE LYS 42 -1.884 -5.446 -9.676 342 HZ1 LYS 42 3HZ LYS 42 -3.961 -6.457 -9.412 343 HZ2 LYS 42 1HZ LYS 42 -4.320 -4.819 -9.636 344 HZ3 LYS 42 2HZ LYS 42 -4.378 -5.494 -8.087 345 H CYS 43 H CYS 43 -1.407 -2.175 -5.367 346 HA CYS 43 HA CYS 43 -1.063 -3.253 -2.696 347 HB2 CYS 43 1HB CYS 43 -0.738 -0.353 -3.364 348 HB3 CYS 43 2HB CYS 43 -1.456 -0.807 -1.824 349 HG CYS 43 HG CYS 43 0.983 -2.630 -1.583 350 H THR 44 H THR 44 -2.910 -2.247 -1.248 351 HA THR 44 HA THR 44 -5.280 -1.322 -2.420 352 HB THR 44 HB THR 44 -6.345 -3.800 -1.793 353 HG1 THR 44 1HG THR 44 -5.045 -5.324 -2.596 354 HG21 THR 44 3HG2 THR 44 -5.939 -2.143 -4.165 355 HG22 THR 44 1HG2 THR 44 -7.374 -3.014 -3.627 356 HG23 THR 44 2HG2 THR 44 -6.116 -3.859 -4.530 357 H VAL 45 H VAL 45 -6.884 -0.930 -0.901 358 HA VAL 45 HA VAL 45 -6.581 -2.019 1.785 359 HB VAL 45 HB VAL 45 -6.497 0.949 1.223 360 HG11 VAL 45 1HG1 VAL 45 -6.212 0.999 3.784 361 HG12 VAL 45 2HG1 VAL 45 -7.834 0.788 3.122 362 HG13 VAL 45 3HG1 VAL 45 -6.947 -0.603 3.747 363 HG21 VAL 45 3HG2 VAL 45 -4.492 -0.903 2.510 364 HG22 VAL 45 1HG2 VAL 45 -4.345 -0.137 0.929 365 HG23 VAL 45 2HG2 VAL 45 -4.334 0.849 2.390 366 H ASP 46 H ASP 46 -8.469 -2.077 2.945 367 HA ASP 46 HA ASP 46 -10.871 -1.119 1.533 368 HB2 ASP 46 1HB ASP 46 -10.538 -3.633 1.844 369 HB3 ASP 46 2HB ASP 46 -10.811 -3.351 3.561 370 H THR 47 H THR 47 -12.190 0.271 2.533 371 HA THR 47 HA THR 47 -11.403 1.552 4.921 372 HB THR 47 HB THR 47 -13.517 2.770 4.789 373 HG1 THR 47 1HG THR 47 -15.178 1.794 3.936 374 HG21 THR 47 3HG2 THR 47 -11.643 2.508 2.592 375 HG22 THR 47 1HG2 THR 47 -12.369 3.958 3.283 376 HG23 THR 47 2HG2 THR 47 -13.227 3.049 2.040 377 H TYR 48 H TYR 48 -13.120 -1.327 4.381 378 HA TYR 48 HA TYR 48 -14.970 -1.449 6.421 379 HB2 TYR 48 1HB TYR 48 -14.798 -3.235 4.813 380 HB3 TYR 48 2HB TYR 48 -13.165 -3.621 5.342 381 HD1 TYR 48 2HD TYR 48 -16.688 -3.517 6.547 382 HD2 TYR 48 1HD TYR 48 -12.825 -5.249 6.977 383 HE1 TYR 48 2HE TYR 48 -17.601 -5.142 8.152 384 HE2 TYR 48 1HE TYR 48 -13.727 -6.880 8.582 385 HH TYR 48 HH TYR 48 -16.619 -6.553 10.104 386 H ASN 49 H ASN 49 -11.579 -2.549 6.608 387 HA ASN 49 HA ASN 49 -11.424 -1.636 9.358 388 HB2 ASN 49 1HB ASN 49 -10.762 -3.776 10.279 389 HB3 ASN 49 2HB ASN 49 -12.339 -3.947 9.515 390 HD21 ASN 49 2HD2 ASN 49 -10.983 -6.181 9.991 391 HD22 ASN 49 1HD2 ASN 49 -10.342 -6.850 8.533 392 H ASN 50 H ASN 50 -10.145 -0.749 7.016 393 HA ASN 50 HA ASN 50 -8.098 -0.284 6.125 394 HB2 ASN 50 1HB ASN 50 -7.974 0.360 8.683 395 HB3 ASN 50 2HB ASN 50 -6.810 -0.960 8.737 396 HD21 ASN 50 2HD2 ASN 50 -7.588 1.982 6.932 397 HD22 ASN 50 1HD2 ASN 50 -5.949 2.440 6.634 398 H ALA 51 H ALA 51 -8.859 -2.818 5.493 399 HA ALA 51 HA ALA 51 -6.791 -4.716 6.141 400 HB1 ALA 51 1HB ALA 51 -8.218 -5.676 3.939 401 HB2 ALA 51 2HB ALA 51 -8.461 -6.091 5.636 402 HB3 ALA 51 3HB ALA 51 -9.391 -4.782 4.907 403 H VAL 52 H VAL 52 -4.833 -4.017 5.390 404 HA VAL 52 HA VAL 52 -4.509 -2.999 2.715 405 HB VAL 52 HB VAL 52 -2.335 -3.846 4.631 406 HG11 VAL 52 1HG1 VAL 52 -1.066 -2.074 3.356 407 HG12 VAL 52 2HG1 VAL 52 -1.449 -3.542 2.456 408 HG13 VAL 52 3HG1 VAL 52 -2.396 -2.077 2.197 409 HG21 VAL 52 3HG2 VAL 52 -2.565 -1.061 4.659 410 HG22 VAL 52 1HG2 VAL 52 -4.212 -1.669 4.820 411 HG23 VAL 52 2HG2 VAL 52 -2.969 -2.179 5.962 412 H ASP 53 H ASP 53 -3.318 -3.973 1.038 413 HA ASP 53 HA ASP 53 -2.613 -6.787 1.304 414 HB2 ASP 53 1HB ASP 53 -4.857 -5.746 -0.364 415 HB3 ASP 53 2HB ASP 53 -3.876 -7.055 -1.017 416 H CYS 54 H CYS 54 -0.477 -6.182 0.966 417 HA CYS 54 HA CYS 54 0.419 -4.502 -1.104 418 HB2 CYS 54 1HB CYS 54 1.599 -5.671 1.046 419 HB3 CYS 54 2HB CYS 54 2.244 -6.664 -0.256 420 HG CYS 54 HG CYS 54 4.133 -5.041 -0.833 421 H ASP 55 H ASP 55 2.136 -5.479 -2.729 422 HA ASP 55 HA ASP 55 0.654 -6.947 -4.640 423 HB2 ASP 55 1HB ASP 55 2.377 -5.358 -5.315 424 HB3 ASP 55 2HB ASP 55 3.614 -6.330 -4.523 Start of MODEL 12 1 H1 ALA 1 H ALA 1 -16.089 2.470 1.213 2 HA ALA 1 HA ALA 1 -15.838 3.083 -1.659 3 HB1 ALA 1 1HB ALA 1 -13.910 4.615 -0.353 4 HB2 ALA 1 2HB ALA 1 -15.394 5.191 -1.113 5 HB3 ALA 1 3HB ALA 1 -15.378 4.804 0.607 6 H LYS 2 H LYS 2 -13.450 3.144 -2.318 7 HA LYS 2 HA LYS 2 -11.734 1.351 -0.812 8 HB2 LYS 2 1HB LYS 2 -12.819 0.666 -3.543 9 HB3 LYS 2 2HB LYS 2 -11.368 -0.075 -2.882 10 HG2 LYS 2 1HG LYS 2 -12.842 -1.637 -2.203 11 HG3 LYS 2 2HG LYS 2 -13.041 -0.526 -0.846 12 HD2 LYS 2 1HD LYS 2 -15.174 -0.176 -1.377 13 HD3 LYS 2 2HD LYS 2 -14.740 0.252 -3.034 14 HE2 LYS 2 1HE LYS 2 -14.437 -2.439 -3.104 15 HE3 LYS 2 2HE LYS 2 -15.739 -2.287 -1.926 16 HZ1 LYS 2 3HZ LYS 2 -16.936 -2.334 -3.842 17 HZ2 LYS 2 1HZ LYS 2 -15.720 -1.613 -4.773 18 HZ3 LYS 2 2HZ LYS 2 -16.675 -0.665 -3.747 19 H TYR 3 H TYR 3 -9.590 1.065 -1.989 20 HA TYR 3 HA TYR 3 -8.938 3.268 -3.787 21 HB2 TYR 3 1HB TYR 3 -7.288 2.835 -1.302 22 HB3 TYR 3 2HB TYR 3 -7.218 4.180 -2.436 23 HD1 TYR 3 1HD TYR 3 -8.945 5.928 -2.398 24 HD2 TYR 3 2HD TYR 3 -8.924 2.775 0.460 25 HE1 TYR 3 1HE TYR 3 -10.494 7.210 -0.980 26 HE2 TYR 3 2HE TYR 3 -10.474 4.047 1.884 27 HH TYR 3 HH TYR 3 -12.299 6.480 0.901 28 H THR 4 H THR 4 -6.540 3.112 -4.423 29 HA THR 4 HA THR 4 -5.451 0.420 -4.322 30 HB THR 4 HB THR 4 -5.227 1.026 -7.039 31 HG1 THR 4 1HG THR 4 -7.519 1.203 -7.580 32 HG21 THR 4 3HG2 THR 4 -7.274 -0.836 -5.854 33 HG22 THR 4 1HG2 THR 4 -5.547 -1.186 -5.828 34 HG23 THR 4 2HG2 THR 4 -6.388 -1.008 -7.368 35 H GLY 5 H GLY 5 -3.310 0.311 -5.481 36 HA2 GLY 5 1HA GLY 5 -1.855 2.463 -6.394 37 HA3 GLY 5 2HA GLY 5 -1.698 2.517 -4.645 38 H LYS 6 H LYS 6 0.598 2.256 -5.836 39 HA LYS 6 HA LYS 6 1.234 -0.621 -5.777 40 HB2 LYS 6 1HB LYS 6 2.912 1.500 -7.108 41 HB3 LYS 6 2HB LYS 6 3.006 -0.244 -7.312 42 HG2 LYS 6 1HG LYS 6 0.440 0.283 -8.085 43 HG3 LYS 6 2HG LYS 6 1.305 1.716 -8.646 44 HD2 LYS 6 1HD LYS 6 2.915 -0.507 -9.285 45 HD3 LYS 6 2HD LYS 6 1.266 -0.924 -9.757 46 HE2 LYS 6 1HE LYS 6 2.527 1.703 -10.492 47 HE3 LYS 6 2HE LYS 6 2.721 0.261 -11.488 48 HZ1 LYS 6 3HZ LYS 6 0.071 1.330 -10.702 49 HZ2 LYS 6 1HZ LYS 6 0.410 0.165 -11.882 50 HZ3 LYS 6 2HZ LYS 6 0.856 1.777 -12.133 51 H CYS 7 H CYS 7 3.584 -1.024 -5.137 52 HA CYS 7 HA CYS 7 4.118 0.522 -2.703 53 HB2 CYS 7 1HB CYS 7 4.259 -2.282 -3.386 54 HB3 CYS 7 2HB CYS 7 5.807 -1.721 -2.765 55 HG CYS 7 HG CYS 7 4.967 -2.386 -0.406 56 H THR 8 H THR 8 6.650 0.263 -2.153 57 HA THR 8 HA THR 8 8.197 1.017 -4.534 58 HB THR 8 HB THR 8 9.241 2.615 -2.508 59 HG1 THR 8 1HG THR 8 6.395 2.817 -2.541 60 HG21 THR 8 3HG2 THR 8 8.527 2.908 -5.095 61 HG22 THR 8 1HG2 THR 8 8.975 4.254 -4.048 62 HG23 THR 8 2HG2 THR 8 7.273 3.871 -4.315 63 H LYS 9 H LYS 9 10.171 0.133 -4.619 64 HA LYS 9 HA LYS 9 10.972 -1.918 -2.940 65 HB2 LYS 9 1HB LYS 9 12.745 -0.148 -4.635 66 HB3 LYS 9 2HB LYS 9 13.176 -1.733 -4.008 67 HG2 LYS 9 1HG LYS 9 10.981 -2.437 -5.311 68 HG3 LYS 9 2HG LYS 9 11.388 -1.001 -6.253 69 HD2 LYS 9 1HD LYS 9 13.222 -3.336 -5.711 70 HD3 LYS 9 2HD LYS 9 12.370 -3.023 -7.226 71 HE2 LYS 9 1HE LYS 9 13.596 -0.687 -7.003 72 HE3 LYS 9 2HE LYS 9 14.721 -1.641 -6.037 73 HZ1 LYS 9 3HZ LYS 9 14.834 -3.204 -7.962 74 HZ2 LYS 9 1HZ LYS 9 15.491 -1.673 -8.258 75 HZ3 LYS 9 2HZ LYS 9 13.966 -2.071 -8.871 76 H SER 10 H SER 10 11.553 1.521 -2.695 77 HA SER 10 HA SER 10 13.511 1.250 -0.594 78 HB2 SER 10 1HB SER 10 13.306 3.748 -0.467 79 HB3 SER 10 2HB SER 10 13.726 3.145 -2.070 80 HG SER 10 HG SER 10 12.094 4.661 -2.278 81 H LYS 11 H LYS 11 10.080 1.566 -0.851 82 HA LYS 11 HA LYS 11 9.838 1.313 2.036 83 HB2 LYS 11 1HB LYS 11 9.526 3.814 0.820 84 HB3 LYS 11 2HB LYS 11 7.888 3.239 1.096 85 HG2 LYS 11 1HG LYS 11 8.217 4.239 3.091 86 HG3 LYS 11 2HG LYS 11 8.931 2.673 3.484 87 HD2 LYS 11 1HD LYS 11 11.014 4.083 2.324 88 HD3 LYS 11 2HD LYS 11 10.174 5.293 3.299 89 HE2 LYS 11 1HE LYS 11 10.942 2.593 4.377 90 HE3 LYS 11 2HE LYS 11 12.030 3.979 4.439 91 HZ1 LYS 11 3HZ LYS 11 9.729 3.388 6.052 92 HZ2 LYS 11 1HZ LYS 11 9.710 4.963 5.435 93 HZ3 LYS 11 2HZ LYS 11 11.025 4.433 6.358 94 H ASN 12 H ASN 12 8.603 -0.422 2.280 95 HA ASN 12 HA ASN 12 6.755 -1.262 0.237 96 HB2 ASN 12 1HB ASN 12 8.023 -2.958 1.410 97 HB3 ASN 12 2HB ASN 12 7.403 -2.403 2.962 98 HD21 ASN 12 2HD2 ASN 12 5.966 -3.737 3.760 99 HD22 ASN 12 1HD2 ASN 12 4.780 -4.620 2.866 100 H GLU 13 H GLU 13 5.459 0.754 0.417 101 HA GLU 13 HA GLU 13 3.293 0.346 2.351 102 HB2 GLU 13 1HB GLU 13 3.165 2.714 2.856 103 HB3 GLU 13 2HB GLU 13 4.771 2.114 3.245 104 HG2 GLU 13 1HG GLU 13 5.428 2.963 0.913 105 HG3 GLU 13 2HG GLU 13 3.921 3.875 0.981 106 H CYS 14 H CYS 14 1.265 1.289 1.712 107 HA CYS 14 HA CYS 14 0.958 1.304 -1.183 108 HB2 CYS 14 1HB CYS 14 -0.580 -0.100 0.039 109 HB3 CYS 14 2HB CYS 14 -1.058 1.243 1.069 110 HG CYS 14 HG CYS 14 -3.086 1.870 -0.357 111 H LYS 15 H LYS 15 1.119 3.167 -2.225 112 HA LYS 15 HA LYS 15 0.418 5.656 -0.847 113 HB2 LYS 15 1HB LYS 15 1.549 6.732 -2.824 114 HB3 LYS 15 2HB LYS 15 2.591 5.734 -1.820 115 HG2 LYS 15 1HG LYS 15 3.072 4.366 -3.505 116 HG3 LYS 15 2HG LYS 15 1.381 4.235 -3.991 117 HD2 LYS 15 1HD LYS 15 2.490 6.849 -4.588 118 HD3 LYS 15 2HD LYS 15 3.396 5.549 -5.367 119 HE2 LYS 15 1HE LYS 15 1.013 4.679 -6.004 120 HE3 LYS 15 2HE LYS 15 0.540 6.352 -5.711 121 HZ1 LYS 15 3HZ LYS 15 1.274 5.616 -8.066 122 HZ2 LYS 15 1HZ LYS 15 2.842 5.779 -7.449 123 HZ3 LYS 15 2HZ LYS 15 1.796 7.107 -7.462 124 H TYR 16 H TYR 16 -1.742 5.948 -1.010 125 HA TYR 16 HA TYR 16 -2.845 6.138 -3.728 126 HB2 TYR 16 1HB TYR 16 -4.885 5.074 -3.082 127 HB3 TYR 16 2HB TYR 16 -3.573 4.020 -2.570 128 HD1 TYR 16 1HD TYR 16 -2.973 3.870 -0.169 129 HD2 TYR 16 2HD TYR 16 -6.362 6.074 -1.493 130 HE1 TYR 16 1HE TYR 16 -3.862 3.868 2.124 131 HE2 TYR 16 2HE TYR 16 -7.260 6.080 0.797 132 HH TYR 16 HH TYR 16 -6.741 5.696 2.979 133 H LYS 17 H LYS 17 -5.139 7.236 -3.525 134 HA LYS 17 HA LYS 17 -4.749 9.639 -1.871 135 HB2 LYS 17 1HB LYS 17 -4.760 10.108 -4.255 136 HB3 LYS 17 2HB LYS 17 -6.292 9.263 -4.444 137 HG2 LYS 17 1HG LYS 17 -6.705 11.226 -2.475 138 HG3 LYS 17 2HG LYS 17 -5.807 11.998 -3.784 139 HD2 LYS 17 1HD LYS 17 -8.103 10.249 -4.500 140 HD3 LYS 17 2HD LYS 17 -8.451 11.836 -3.810 141 HE2 LYS 17 1HE LYS 17 -6.557 12.467 -5.649 142 HE3 LYS 17 2HE LYS 17 -7.355 11.108 -6.441 143 HZ1 LYS 17 3HZ LYS 17 -8.358 13.255 -7.008 144 HZ2 LYS 17 1HZ LYS 17 -8.749 13.507 -5.382 145 HZ3 LYS 17 2HZ LYS 17 -9.459 12.231 -6.234 146 H ASN 18 H ASN 18 -6.250 10.229 -0.411 147 HA ASN 18 HA ASN 18 -8.826 8.810 -0.411 148 HB2 ASN 18 1HB ASN 18 -8.680 8.222 1.829 149 HB3 ASN 18 2HB ASN 18 -7.017 7.997 1.296 150 HD21 ASN 18 2HD2 ASN 18 -5.750 10.186 1.418 151 HD22 ASN 18 1HD2 ASN 18 -5.877 10.995 2.938 152 H ASP 19 H ASP 19 -10.259 9.908 1.415 153 HA ASP 19 HA ASP 19 -11.452 11.737 2.056 154 HB2 ASP 19 1HB ASP 19 -9.448 12.489 3.177 155 HB3 ASP 19 2HB ASP 19 -8.782 13.103 1.666 156 H ALA 20 H ALA 20 -9.306 13.500 -0.132 157 HA ALA 20 HA ALA 20 -11.037 13.438 -2.374 158 HB1 ALA 20 1HB ALA 20 -12.437 14.814 -0.891 159 HB2 ALA 20 2HB ALA 20 -11.124 15.986 -0.763 160 HB3 ALA 20 3HB ALA 20 -11.902 15.700 -2.320 161 H GLY 21 H GLY 21 -8.370 12.985 -2.188 162 HA2 GLY 21 1HA GLY 21 -6.832 13.704 -3.957 163 HA3 GLY 21 2HA GLY 21 -7.227 15.361 -3.522 164 H LYS 22 H LYS 22 -6.982 13.427 -0.788 165 HA LYS 22 HA LYS 22 -4.458 14.673 -0.077 166 HB2 LYS 22 1HB LYS 22 -6.073 14.768 1.646 167 HB3 LYS 22 2HB LYS 22 -6.502 13.074 1.447 168 HG2 LYS 22 1HG LYS 22 -4.531 12.340 2.494 169 HG3 LYS 22 2HG LYS 22 -3.779 13.933 2.370 170 HD2 LYS 22 1HD LYS 22 -5.078 14.815 4.086 171 HD3 LYS 22 2HD LYS 22 -6.309 13.560 3.931 172 HE2 LYS 22 1HE LYS 22 -5.030 13.196 5.946 173 HE3 LYS 22 2HE LYS 22 -4.691 11.909 4.790 174 HZ1 LYS 22 3HZ LYS 22 -2.610 12.863 4.271 175 HZ2 LYS 22 1HZ LYS 22 -2.712 12.861 5.959 176 HZ3 LYS 22 2HZ LYS 22 -2.962 14.296 5.099 177 H ASP 23 H ASP 23 -2.563 13.610 0.393 178 HA ASP 23 HA ASP 23 -2.276 10.983 -0.810 179 HB2 ASP 23 1HB ASP 23 0.148 11.347 -0.452 180 HB3 ASP 23 2HB ASP 23 -0.606 12.664 -1.347 181 H THR 24 H THR 24 -1.636 9.130 0.240 182 HA THR 24 HA THR 24 -1.206 9.207 3.124 183 HB THR 24 HB THR 24 -3.402 7.555 1.859 184 HG1 THR 24 1HG THR 24 -4.648 8.827 3.459 185 HG21 THR 24 3HG2 THR 24 -3.850 6.774 4.147 186 HG22 THR 24 1HG2 THR 24 -2.427 7.645 4.717 187 HG23 THR 24 2HG2 THR 24 -2.244 6.295 3.597 188 H PHE 25 H PHE 25 0.207 7.697 3.806 189 HA PHE 25 HA PHE 25 0.885 5.508 1.958 190 HB2 PHE 25 1HB PHE 25 2.846 7.144 3.581 191 HB3 PHE 25 2HB PHE 25 3.252 5.777 2.548 192 HD1 PHE 25 2HD PHE 25 1.900 9.219 2.534 193 HD2 PHE 25 1HD PHE 25 3.603 6.059 0.247 194 HE1 PHE 25 2HE PHE 25 2.162 10.748 0.623 195 HE2 PHE 25 1HE PHE 25 3.868 7.582 -1.667 196 HZ PHE 25 HZ PHE 25 3.145 9.930 -1.481 197 H ILE 26 H ILE 26 0.492 3.619 2.880 198 HA ILE 26 HA ILE 26 0.940 3.346 5.781 199 HB ILE 26 HB ILE 26 -1.445 3.291 5.363 200 HG12 ILE 26 1HG1 ILE 26 -1.970 1.089 6.310 201 HG13 ILE 26 2HG1 ILE 26 -0.374 0.502 5.852 202 HG21 ILE 26 1HG2 ILE 26 -1.643 0.845 3.864 203 HG22 ILE 26 2HG2 ILE 26 -2.347 2.426 3.528 204 HG23 ILE 26 3HG2 ILE 26 -0.719 2.050 2.966 205 HD11 ILE 26 3HD1 ILE 26 -0.965 1.392 8.294 206 HD12 ILE 26 1HD1 ILE 26 0.643 1.525 7.583 207 HD13 ILE 26 2HD1 ILE 26 -0.452 2.908 7.555 208 H LYS 27 H LYS 27 2.418 1.890 6.310 209 HA LYS 27 HA LYS 27 3.591 0.188 4.316 210 HB2 LYS 27 1HB LYS 27 4.104 0.257 7.294 211 HB3 LYS 27 2HB LYS 27 5.129 -0.487 6.076 212 HG2 LYS 27 1HG LYS 27 5.484 1.753 5.077 213 HG3 LYS 27 2HG LYS 27 4.562 2.451 6.411 214 HD2 LYS 27 1HD LYS 27 6.242 1.220 7.929 215 HD3 LYS 27 2HD LYS 27 7.232 1.080 6.475 216 HE2 LYS 27 1HE LYS 27 8.045 3.066 7.180 217 HE3 LYS 27 2HE LYS 27 6.614 3.695 6.363 218 HZ1 LYS 27 3HZ LYS 27 5.700 4.311 8.290 219 HZ2 LYS 27 1HZ LYS 27 7.256 4.165 8.937 220 HZ3 LYS 27 2HZ LYS 27 6.153 2.893 9.093 221 H CYS 28 H CYS 28 2.812 -1.722 3.743 222 HA CYS 28 HA CYS 28 0.764 -3.055 5.186 223 HB2 CYS 28 1HB CYS 28 2.494 -4.251 3.019 224 HB3 CYS 28 2HB CYS 28 0.862 -4.728 3.474 225 HG CYS 28 HG CYS 28 1.233 -1.546 2.426 226 HA PRO 29 HA PRO 29 3.000 -5.590 7.983 227 HB2 PRO 29 1HB PRO 29 1.425 -7.801 8.054 228 HB3 PRO 29 2HB PRO 29 0.964 -6.267 8.805 229 HG2 PRO 29 1HG PRO 29 0.132 -7.411 6.167 230 HG3 PRO 29 2HG PRO 29 -0.854 -6.589 7.390 231 HD2 PRO 29 1HD PRO 29 0.039 -5.339 5.160 232 HD3 PRO 29 2HD PRO 29 -0.184 -4.493 6.705 233 H LYS 30 H LYS 30 4.603 -5.694 6.021 234 HA LYS 30 HA LYS 30 5.158 -8.528 5.588 235 HB2 LYS 30 1HB LYS 30 5.231 -6.535 3.319 236 HB3 LYS 30 2HB LYS 30 5.568 -8.258 3.222 237 HG2 LYS 30 1HG LYS 30 2.897 -7.124 4.014 238 HG3 LYS 30 2HG LYS 30 3.329 -7.566 2.361 239 HD2 LYS 30 1HD LYS 30 3.448 -9.834 2.867 240 HD3 LYS 30 2HD LYS 30 3.639 -9.537 4.596 241 HE2 LYS 30 1HE LYS 30 1.445 -10.313 4.385 242 HE3 LYS 30 2HE LYS 30 1.275 -8.562 4.499 243 HZ1 LYS 30 3HZ LYS 30 0.211 -8.590 2.574 244 HZ2 LYS 30 1HZ LYS 30 0.408 -10.265 2.449 245 HZ3 LYS 30 2HZ LYS 30 1.575 -9.227 1.803 246 H PHE 31 H PHE 31 6.503 -7.219 7.418 247 HA PHE 31 HA PHE 31 8.936 -6.138 6.195 248 HB2 PHE 31 1HB PHE 31 9.504 -5.538 8.596 249 HB3 PHE 31 2HB PHE 31 8.112 -4.710 7.906 250 HD1 PHE 31 1HD PHE 31 9.233 -7.206 10.328 251 HD2 PHE 31 2HD PHE 31 5.878 -5.160 8.694 252 HE1 PHE 31 1HE PHE 31 7.850 -7.975 12.214 253 HE2 PHE 31 2HE PHE 31 4.491 -5.923 10.577 254 HZ PHE 31 HZ PHE 31 5.476 -7.332 12.340 255 H ASP 32 H ASP 32 8.529 -8.875 5.875 256 HA ASP 32 HA ASP 32 10.960 -9.956 6.623 257 HB2 ASP 32 1HB ASP 32 9.116 -9.940 8.801 258 HB3 ASP 32 2HB ASP 32 9.357 -11.610 8.296 259 H ASN 33 H ASN 33 7.637 -10.390 5.750 260 HA ASN 33 HA ASN 33 8.220 -13.017 4.577 261 HB2 ASN 33 1HB ASN 33 5.490 -11.771 4.624 262 HB3 ASN 33 2HB ASN 33 5.932 -13.476 4.617 263 HD21 ASN 33 2HD2 ASN 33 6.509 -14.477 6.532 264 HD22 ASN 33 1HD2 ASN 33 6.203 -13.766 8.076 265 H LYS 34 H LYS 34 7.815 -9.732 3.776 266 HA LYS 34 HA LYS 34 8.501 -10.062 1.088 267 HB2 LYS 34 1HB LYS 34 5.658 -10.346 1.663 268 HB3 LYS 34 2HB LYS 34 5.979 -9.044 0.524 269 HG2 LYS 34 1HG LYS 34 7.480 -11.443 -0.106 270 HG3 LYS 34 2HG LYS 34 5.737 -11.726 -0.070 271 HD2 LYS 34 1HD LYS 34 5.392 -10.530 -1.937 272 HD3 LYS 34 2HD LYS 34 6.503 -9.254 -1.434 273 HE2 LYS 34 1HE LYS 34 8.316 -10.259 -2.417 274 HE3 LYS 34 2HE LYS 34 7.633 -11.878 -2.271 275 HZ1 LYS 34 3HZ LYS 34 6.602 -9.818 -4.141 276 HZ2 LYS 34 1HZ LYS 34 6.167 -11.452 -4.077 277 HZ3 LYS 34 2HZ LYS 34 7.721 -11.010 -4.577 278 H LYS 35 H LYS 35 9.799 -8.391 2.247 279 HA LYS 35 HA LYS 35 8.567 -5.838 2.746 280 HB2 LYS 35 1HB LYS 35 10.980 -7.098 3.461 281 HB3 LYS 35 2HB LYS 35 11.435 -5.701 2.493 282 HG2 LYS 35 1HG LYS 35 9.389 -5.168 4.524 283 HG3 LYS 35 2HG LYS 35 10.964 -5.650 5.160 284 HD2 LYS 35 1HD LYS 35 10.999 -3.286 4.991 285 HD3 LYS 35 2HD LYS 35 11.976 -3.897 3.654 286 HE2 LYS 35 1HE LYS 35 9.357 -3.746 2.675 287 HE3 LYS 35 2HE LYS 35 9.605 -2.263 3.595 288 HZ1 LYS 35 3HZ LYS 35 11.514 -1.746 2.292 289 HZ2 LYS 35 1HZ LYS 35 10.254 -2.110 1.223 290 HZ3 LYS 35 2HZ LYS 35 11.473 -3.246 1.509 291 H CYS 36 H CYS 36 7.879 -6.427 0.228 292 HA CYS 36 HA CYS 36 7.831 -5.596 -1.887 293 HB2 CYS 36 1HB CYS 36 8.078 -3.434 -0.526 294 HB3 CYS 36 2HB CYS 36 9.773 -3.470 -0.999 295 HG CYS 36 HG CYS 36 9.372 -3.104 -3.664 296 H THR 37 H THR 37 9.107 -5.349 -3.855 297 HA THR 37 HA THR 37 11.901 -5.714 -3.935 298 HB THR 37 HB THR 37 11.336 -7.963 -3.072 299 HG1 THR 37 1HG THR 37 13.146 -8.007 -4.295 300 HG21 THR 37 3HG2 THR 37 9.545 -9.050 -3.823 301 HG22 THR 37 1HG2 THR 37 10.291 -9.167 -5.416 302 HG23 THR 37 2HG2 THR 37 9.263 -7.789 -5.023 303 H LYS 38 H LYS 38 9.983 -4.102 -5.231 304 HA LYS 38 HA LYS 38 10.865 -4.159 -7.862 305 HB2 LYS 38 1HB LYS 38 8.868 -6.112 -7.396 306 HB3 LYS 38 2HB LYS 38 8.114 -4.825 -8.328 307 HG2 LYS 38 1HG LYS 38 9.924 -5.009 -9.991 308 HG3 LYS 38 2HG LYS 38 10.597 -6.357 -9.072 309 HD2 LYS 38 1HD LYS 38 7.735 -6.478 -9.887 310 HD3 LYS 38 2HD LYS 38 8.974 -6.761 -11.112 311 HE2 LYS 38 1HE LYS 38 9.904 -8.316 -9.113 312 HE3 LYS 38 2HE LYS 38 8.170 -8.410 -8.804 313 HZ1 LYS 38 3HZ LYS 38 7.775 -9.354 -10.877 314 HZ2 LYS 38 1HZ LYS 38 9.194 -10.120 -10.366 315 HZ3 LYS 38 2HZ LYS 38 9.270 -8.873 -11.505 316 H ASP 39 H ASP 39 10.749 -2.078 -8.343 317 HA ASP 39 HA ASP 39 9.321 -0.143 -7.014 318 HB2 ASP 39 1HB ASP 39 9.961 0.065 -9.953 319 HB3 ASP 39 2HB ASP 39 9.902 1.359 -8.760 320 H ASN 40 H ASN 40 7.202 0.022 -6.733 321 HA ASN 40 HA ASN 40 4.969 0.141 -7.148 322 HB2 ASN 40 1HB ASN 40 5.457 0.124 -10.106 323 HB3 ASN 40 2HB ASN 40 4.256 1.020 -9.181 324 HD21 ASN 40 2HD2 ASN 40 5.763 2.235 -7.280 325 HD22 ASN 40 1HD2 ASN 40 6.862 3.348 -8.015 326 H ASN 41 H ASN 41 5.145 -2.150 -6.378 327 HA ASN 41 HA ASN 41 4.877 -4.225 -8.365 328 HB2 ASN 41 1HB ASN 41 5.328 -4.077 -5.494 329 HB3 ASN 41 2HB ASN 41 4.143 -5.311 -5.909 330 HD21 ASN 41 2HD2 ASN 41 6.752 -5.723 -4.831 331 HD22 ASN 41 1HD2 ASN 41 7.641 -6.653 -5.985 332 H LYS 42 H LYS 42 2.803 -3.756 -5.533 333 HA LYS 42 HA LYS 42 0.450 -3.053 -6.864 334 HB2 LYS 42 1HB LYS 42 0.476 -5.149 -7.993 335 HB3 LYS 42 2HB LYS 42 0.880 -6.017 -6.518 336 HG2 LYS 42 1HG LYS 42 -1.271 -5.894 -5.696 337 HG3 LYS 42 2HG LYS 42 -1.684 -4.499 -6.695 338 HD2 LYS 42 1HD LYS 42 -1.092 -6.409 -8.568 339 HD3 LYS 42 2HD LYS 42 -1.856 -7.357 -7.291 340 HE2 LYS 42 1HE LYS 42 -3.864 -6.228 -7.475 341 HE3 LYS 42 2HE LYS 42 -3.116 -4.804 -8.195 342 HZ1 LYS 42 3HZ LYS 42 -3.491 -5.605 -10.213 343 HZ2 LYS 42 1HZ LYS 42 -4.388 -6.861 -9.518 344 HZ3 LYS 42 2HZ LYS 42 -2.744 -7.078 -9.848 345 H CYS 43 H CYS 43 -1.227 -2.695 -5.443 346 HA CYS 43 HA CYS 43 -1.149 -3.808 -2.773 347 HB2 CYS 43 1HB CYS 43 -0.205 -1.097 -3.375 348 HB3 CYS 43 2HB CYS 43 -1.441 -1.152 -2.123 349 HG CYS 43 HG CYS 43 1.280 -3.190 -1.928 350 H THR 44 H THR 44 -3.005 -2.838 -1.432 351 HA THR 44 HA THR 44 -5.217 -1.757 -2.929 352 HB THR 44 HB THR 44 -6.331 -4.075 -1.710 353 HG1 THR 44 1HG THR 44 -4.014 -4.765 -2.208 354 HG21 THR 44 3HG2 THR 44 -5.966 -3.396 -4.630 355 HG22 THR 44 1HG2 THR 44 -7.261 -2.786 -3.601 356 HG23 THR 44 2HG2 THR 44 -7.153 -4.510 -3.955 357 H VAL 45 H VAL 45 -6.935 -1.054 -1.607 358 HA VAL 45 HA VAL 45 -6.731 -1.461 1.267 359 HB VAL 45 HB VAL 45 -6.585 1.295 0.036 360 HG11 VAL 45 1HG1 VAL 45 -8.025 1.340 1.969 361 HG12 VAL 45 2HG1 VAL 45 -6.838 0.441 2.917 362 HG13 VAL 45 3HG1 VAL 45 -6.479 2.083 2.379 363 HG21 VAL 45 3HG2 VAL 45 -4.613 -0.210 1.754 364 HG22 VAL 45 1HG2 VAL 45 -4.446 0.120 0.030 365 HG23 VAL 45 2HG2 VAL 45 -4.431 1.449 1.187 366 H ASP 46 H ASP 46 -8.669 -1.366 2.283 367 HA ASP 46 HA ASP 46 -10.975 -0.425 0.709 368 HB2 ASP 46 1HB ASP 46 -10.609 -3.008 1.127 369 HB3 ASP 46 2HB ASP 46 -11.294 -2.628 2.705 370 H THR 47 H THR 47 -12.831 0.262 1.982 371 HA THR 47 HA THR 47 -11.964 1.667 4.389 372 HB THR 47 HB THR 47 -14.001 2.976 4.182 373 HG1 THR 47 1HG THR 47 -14.609 1.162 2.070 374 HG21 THR 47 3HG2 THR 47 -13.535 3.328 1.444 375 HG22 THR 47 1HG2 THR 47 -12.001 2.776 2.115 376 HG23 THR 47 2HG2 THR 47 -12.787 4.209 2.776 377 H TYR 48 H TYR 48 -13.506 -1.192 3.597 378 HA TYR 48 HA TYR 48 -15.611 -1.449 5.358 379 HB2 TYR 48 1HB TYR 48 -15.236 -3.221 3.837 380 HB3 TYR 48 2HB TYR 48 -13.580 -3.451 4.387 381 HD1 TYR 48 2HD TYR 48 -16.651 -3.120 6.455 382 HD2 TYR 48 1HD TYR 48 -13.561 -5.693 5.064 383 HE1 TYR 48 2HE TYR 48 -17.415 -4.868 8.008 384 HE2 TYR 48 1HE TYR 48 -14.317 -7.448 6.613 385 HH TYR 48 HH TYR 48 -16.210 -8.105 7.868 386 H ASN 49 H ASN 49 -12.221 -2.361 5.998 387 HA ASN 49 HA ASN 49 -12.503 -1.513 8.758 388 HB2 ASN 49 1HB ASN 49 -13.205 -4.023 8.433 389 HB3 ASN 49 2HB ASN 49 -11.468 -4.294 8.344 390 HD21 ASN 49 2HD2 ASN 49 -10.396 -4.534 10.177 391 HD22 ASN 49 1HD2 ASN 49 -10.997 -4.157 11.752 392 H ASN 50 H ASN 50 -10.968 -0.494 6.633 393 HA ASN 50 HA ASN 50 -8.850 0.112 6.046 394 HB2 ASN 50 1HB ASN 50 -9.126 0.647 8.638 395 HB3 ASN 50 2HB ASN 50 -7.850 -0.559 8.774 396 HD21 ASN 50 2HD2 ASN 50 -6.180 -0.154 6.821 397 HD22 ASN 50 1HD2 ASN 50 -5.551 1.455 6.809 398 H ALA 51 H ALA 51 -9.189 -2.255 5.032 399 HA ALA 51 HA ALA 51 -7.192 -4.133 5.996 400 HB1 ALA 51 1HB ALA 51 -9.282 -4.233 3.850 401 HB2 ALA 51 2HB ALA 51 -8.015 -5.456 3.955 402 HB3 ALA 51 3HB ALA 51 -9.132 -5.223 5.301 403 H VAL 52 H VAL 52 -5.140 -3.684 5.504 404 HA VAL 52 HA VAL 52 -4.519 -2.536 2.874 405 HB VAL 52 HB VAL 52 -2.665 -2.813 5.241 406 HG11 VAL 52 1HG1 VAL 52 -2.367 -0.827 3.034 407 HG12 VAL 52 2HG1 VAL 52 -1.137 -1.548 4.073 408 HG13 VAL 52 3HG1 VAL 52 -1.861 -2.495 2.772 409 HG21 VAL 52 3HG2 VAL 52 -4.162 -1.325 6.121 410 HG22 VAL 52 1HG2 VAL 52 -3.128 -0.212 5.225 411 HG23 VAL 52 2HG2 VAL 52 -4.669 -0.729 4.540 412 H ASP 53 H ASP 53 -4.026 -3.973 1.359 413 HA ASP 53 HA ASP 53 -2.638 -6.446 2.139 414 HB2 ASP 53 1HB ASP 53 -4.299 -5.791 -0.301 415 HB3 ASP 53 2HB ASP 53 -3.402 -7.293 -0.097 416 H CYS 54 H CYS 54 -1.322 -7.314 0.112 417 HA CYS 54 HA CYS 54 0.195 -5.146 -1.130 418 HB2 CYS 54 1HB CYS 54 1.146 -6.401 1.140 419 HB3 CYS 54 2HB CYS 54 1.934 -7.288 -0.159 420 HG CYS 54 HG CYS 54 3.883 -5.587 0.048 421 H ASP 55 H ASP 55 1.979 -6.240 -2.593 422 HA ASP 55 HA ASP 55 0.557 -7.802 -4.505 423 HB2 ASP 55 1HB ASP 55 2.315 -6.126 -5.085 424 HB3 ASP 55 2HB ASP 55 3.522 -7.216 -4.409 Start of MODEL 13 1 H1 ALA 1 H ALA 1 -14.471 0.920 2.012 2 HA ALA 1 HA ALA 1 -14.939 0.443 -0.855 3 HB1 ALA 1 1HB ALA 1 -15.525 2.682 0.389 4 HB2 ALA 1 2HB ALA 1 -13.808 3.008 0.149 5 HB3 ALA 1 3HB ALA 1 -14.850 2.700 -1.241 6 H LYS 2 H LYS 2 -13.307 -0.246 -2.066 7 HA LYS 2 HA LYS 2 -10.681 -0.559 -0.923 8 HB2 LYS 2 1HB LYS 2 -11.846 -1.256 -3.619 9 HB3 LYS 2 2HB LYS 2 -10.164 -1.554 -3.197 10 HG2 LYS 2 1HG LYS 2 -10.665 -3.366 -1.994 11 HG3 LYS 2 2HG LYS 2 -12.063 -2.594 -1.239 12 HD2 LYS 2 1HD LYS 2 -13.061 -4.267 -2.479 13 HD3 LYS 2 2HD LYS 2 -13.152 -2.896 -3.588 14 HE2 LYS 2 1HE LYS 2 -10.808 -4.756 -3.660 15 HE3 LYS 2 2HE LYS 2 -12.316 -5.195 -4.459 16 HZ1 LYS 2 3HZ LYS 2 -11.842 -2.628 -5.261 17 HZ2 LYS 2 1HZ LYS 2 -11.567 -4.025 -6.174 18 HZ3 LYS 2 2HZ LYS 2 -10.307 -3.339 -5.278 19 H TYR 3 H TYR 3 -8.717 0.143 -2.043 20 HA TYR 3 HA TYR 3 -9.044 2.569 -3.656 21 HB2 TYR 3 1HB TYR 3 -7.570 2.333 -1.047 22 HB3 TYR 3 2HB TYR 3 -7.086 3.525 -2.249 23 HD1 TYR 3 1HD TYR 3 -9.780 2.487 0.037 24 HD2 TYR 3 2HD TYR 3 -8.406 5.486 -2.650 25 HE1 TYR 3 1HE TYR 3 -11.509 4.022 0.876 26 HE2 TYR 3 2HE TYR 3 -10.130 7.030 -1.817 27 HH TYR 3 HH TYR 3 -11.812 6.563 1.001 28 H THR 4 H THR 4 -7.642 2.717 -5.302 29 HA THR 4 HA THR 4 -5.749 0.553 -5.684 30 HB THR 4 HB THR 4 -5.363 1.975 -7.891 31 HG1 THR 4 1HG THR 4 -8.053 2.658 -7.380 32 HG21 THR 4 3HG2 THR 4 -7.494 0.823 -8.804 33 HG22 THR 4 1HG2 THR 4 -7.641 0.161 -7.177 34 HG23 THR 4 2HG2 THR 4 -6.206 -0.182 -8.142 35 H GLY 5 H GLY 5 -3.616 0.677 -5.378 36 HA2 GLY 5 1HA GLY 5 -2.202 3.190 -5.609 37 HA3 GLY 5 2HA GLY 5 -2.286 2.560 -3.969 38 H LYS 6 H LYS 6 0.161 2.889 -4.918 39 HA LYS 6 HA LYS 6 1.072 0.138 -5.356 40 HB2 LYS 6 1HB LYS 6 2.416 2.402 -6.799 41 HB3 LYS 6 2HB LYS 6 2.501 0.677 -7.130 42 HG2 LYS 6 1HG LYS 6 1.132 1.271 -8.826 43 HG3 LYS 6 2HG LYS 6 -0.096 1.037 -7.579 44 HD2 LYS 6 1HD LYS 6 -0.752 3.116 -8.099 45 HD3 LYS 6 2HD LYS 6 0.657 3.638 -7.172 46 HE2 LYS 6 1HE LYS 6 1.984 3.550 -9.282 47 HE3 LYS 6 2HE LYS 6 0.488 3.215 -10.153 48 HZ1 LYS 6 3HZ LYS 6 -0.231 5.388 -8.834 49 HZ2 LYS 6 1HZ LYS 6 0.504 5.449 -10.356 50 HZ3 LYS 6 2HZ LYS 6 1.427 5.701 -8.961 51 H CYS 7 H CYS 7 3.515 -0.001 -5.020 52 HA CYS 7 HA CYS 7 4.462 1.953 -3.050 53 HB2 CYS 7 1HB CYS 7 5.348 -0.009 -1.691 54 HB3 CYS 7 2HB CYS 7 3.609 0.259 -1.632 55 HG CYS 7 HG CYS 7 5.141 -2.487 -2.275 56 H THR 8 H THR 8 6.770 1.920 -2.721 57 HA THR 8 HA THR 8 8.183 1.072 -5.142 58 HB THR 8 HB THR 8 8.485 3.399 -4.648 59 HG1 THR 8 1HG THR 8 10.464 2.989 -5.274 60 HG21 THR 8 3HG2 THR 8 8.613 2.448 -1.909 61 HG22 THR 8 1HG2 THR 8 8.255 4.060 -2.525 62 HG23 THR 8 2HG2 THR 8 9.929 3.560 -2.284 63 H LYS 9 H LYS 9 10.119 -0.093 -5.069 64 HA LYS 9 HA LYS 9 10.264 -2.180 -3.229 65 HB2 LYS 9 1HB LYS 9 12.627 -2.468 -4.150 66 HB3 LYS 9 2HB LYS 9 11.308 -2.524 -5.314 67 HG2 LYS 9 1HG LYS 9 12.172 -0.841 -6.461 68 HG3 LYS 9 2HG LYS 9 12.247 0.171 -5.017 69 HD2 LYS 9 1HD LYS 9 14.473 0.067 -5.415 70 HD3 LYS 9 2HD LYS 9 14.329 -1.458 -4.536 71 HE2 LYS 9 1HE LYS 9 13.692 -2.100 -7.165 72 HE3 LYS 9 2HE LYS 9 15.037 -0.969 -7.302 73 HZ1 LYS 9 3HZ LYS 9 16.155 -2.415 -5.560 74 HZ2 LYS 9 1HZ LYS 9 16.024 -3.057 -7.120 75 HZ3 LYS 9 2HZ LYS 9 14.967 -3.571 -5.903 76 H SER 10 H SER 10 11.426 1.048 -3.020 77 HA SER 10 HA SER 10 13.330 0.458 -0.909 78 HB2 SER 10 1HB SER 10 13.457 3.043 -0.862 79 HB3 SER 10 2HB SER 10 14.075 2.208 -2.287 80 HG SER 10 HG SER 10 12.268 4.083 -2.239 81 H LYS 11 H LYS 11 10.025 1.289 -1.229 82 HA LYS 11 HA LYS 11 9.763 1.387 1.674 83 HB2 LYS 11 1HB LYS 11 9.797 3.743 0.284 84 HB3 LYS 11 2HB LYS 11 8.077 3.377 0.314 85 HG2 LYS 11 1HG LYS 11 8.582 4.754 2.192 86 HG3 LYS 11 2HG LYS 11 8.236 3.127 2.782 87 HD2 LYS 11 1HD LYS 11 10.130 3.648 3.985 88 HD3 LYS 11 2HD LYS 11 10.828 2.824 2.588 89 HE2 LYS 11 1HE LYS 11 11.508 4.844 1.604 90 HE3 LYS 11 2HE LYS 11 10.460 5.804 2.647 91 HZ1 LYS 11 3HZ LYS 11 11.860 5.222 4.528 92 HZ2 LYS 11 1HZ LYS 11 12.771 5.975 3.319 93 HZ3 LYS 11 2HZ LYS 11 12.865 4.299 3.528 94 H ASN 12 H ASN 12 8.400 -0.219 2.089 95 HA ASN 12 HA ASN 12 6.431 -1.067 0.158 96 HB2 ASN 12 1HB ASN 12 7.679 -2.705 1.526 97 HB3 ASN 12 2HB ASN 12 6.929 -2.049 2.978 98 HD21 ASN 12 2HD2 ASN 12 5.707 -3.694 3.649 99 HD22 ASN 12 1HD2 ASN 12 4.464 -4.449 2.715 100 H GLU 13 H GLU 13 5.665 1.380 0.554 101 HA GLU 13 HA GLU 13 3.452 1.241 2.496 102 HB2 GLU 13 1HB GLU 13 3.581 3.624 2.776 103 HB3 GLU 13 2HB GLU 13 5.184 2.950 3.034 104 HG2 GLU 13 1HG GLU 13 5.367 3.504 0.426 105 HG3 GLU 13 2HG GLU 13 4.197 4.734 0.904 106 H CYS 14 H CYS 14 1.419 1.806 1.827 107 HA CYS 14 HA CYS 14 0.983 1.802 -1.034 108 HB2 CYS 14 1HB CYS 14 -0.408 0.450 0.554 109 HB3 CYS 14 2HB CYS 14 -1.066 1.955 1.184 110 HG CYS 14 HG CYS 14 -2.754 0.452 -0.701 111 H LYS 15 H LYS 15 1.042 3.627 -2.151 112 HA LYS 15 HA LYS 15 0.379 6.153 -0.829 113 HB2 LYS 15 1HB LYS 15 1.351 7.171 -2.913 114 HB3 LYS 15 2HB LYS 15 2.479 6.218 -1.958 115 HG2 LYS 15 1HG LYS 15 2.909 4.897 -3.681 116 HG3 LYS 15 2HG LYS 15 1.193 4.559 -3.915 117 HD2 LYS 15 1HD LYS 15 1.533 5.602 -5.889 118 HD3 LYS 15 2HD LYS 15 1.329 7.060 -4.916 119 HE2 LYS 15 1HE LYS 15 3.642 7.432 -4.795 120 HE3 LYS 15 2HE LYS 15 4.021 5.788 -5.302 121 HZ1 LYS 15 3HZ LYS 15 2.690 6.628 -7.426 122 HZ2 LYS 15 1HZ LYS 15 4.362 6.825 -7.259 123 HZ3 LYS 15 2HZ LYS 15 3.320 8.111 -6.909 124 H TYR 16 H TYR 16 -1.923 5.558 -0.840 125 HA TYR 16 HA TYR 16 -3.187 5.827 -3.478 126 HB2 TYR 16 1HB TYR 16 -5.159 4.840 -2.512 127 HB3 TYR 16 2HB TYR 16 -3.777 3.839 -2.083 128 HD1 TYR 16 1HD TYR 16 -2.954 3.770 0.221 129 HD2 TYR 16 2HD TYR 16 -6.378 6.068 -0.828 130 HE1 TYR 16 1HE TYR 16 -3.559 3.945 2.598 131 HE2 TYR 16 2HE TYR 16 -6.991 6.251 1.547 132 HH TYR 16 HH TYR 16 -5.521 4.359 3.974 133 H LYS 17 H LYS 17 -5.452 6.926 -3.266 134 HA LYS 17 HA LYS 17 -5.003 9.507 -1.935 135 HB2 LYS 17 1HB LYS 17 -5.266 9.791 -4.287 136 HB3 LYS 17 2HB LYS 17 -6.667 8.727 -4.326 137 HG2 LYS 17 1HG LYS 17 -6.952 11.064 -2.577 138 HG3 LYS 17 2HG LYS 17 -6.781 11.433 -4.294 139 HD2 LYS 17 1HD LYS 17 -8.641 9.243 -3.616 140 HD3 LYS 17 2HD LYS 17 -9.134 10.863 -3.116 141 HE2 LYS 17 1HE LYS 17 -10.020 10.792 -5.228 142 HE3 LYS 17 2HE LYS 17 -8.432 11.479 -5.572 143 HZ1 LYS 17 3HZ LYS 17 -9.034 8.580 -5.750 144 HZ2 LYS 17 1HZ LYS 17 -7.640 9.376 -6.289 145 HZ3 LYS 17 2HZ LYS 17 -9.118 9.634 -7.071 146 H ASN 18 H ASN 18 -6.394 10.277 -0.441 147 HA ASN 18 HA ASN 18 -8.914 8.834 -0.004 148 HB2 ASN 18 1HB ASN 18 -8.521 8.431 2.233 149 HB3 ASN 18 2HB ASN 18 -6.892 8.246 1.587 150 HD21 ASN 18 2HD2 ASN 18 -5.854 10.605 1.346 151 HD22 ASN 18 1HD2 ASN 18 -5.873 11.501 2.823 152 H ASP 19 H ASP 19 -10.411 10.057 1.447 153 HA ASP 19 HA ASP 19 -11.543 11.940 2.058 154 HB2 ASP 19 1HB ASP 19 -9.181 12.616 2.868 155 HB3 ASP 19 2HB ASP 19 -9.126 13.614 1.417 156 H ALA 20 H ALA 20 -9.331 13.238 -0.415 157 HA ALA 20 HA ALA 20 -11.080 13.120 -2.581 158 HB1 ALA 20 1HB ALA 20 -11.352 15.582 -0.896 159 HB2 ALA 20 2HB ALA 20 -11.655 15.628 -2.633 160 HB3 ALA 20 3HB ALA 20 -12.613 14.569 -1.600 161 H GLY 21 H GLY 21 -8.327 12.807 -2.108 162 HA2 GLY 21 1HA GLY 21 -6.864 13.411 -4.081 163 HA3 GLY 21 2HA GLY 21 -7.175 15.075 -3.610 164 H LYS 22 H LYS 22 -7.044 13.422 -0.798 165 HA LYS 22 HA LYS 22 -4.404 14.403 -0.199 166 HB2 LYS 22 1HB LYS 22 -6.578 13.073 1.385 167 HB3 LYS 22 2HB LYS 22 -4.963 13.235 2.062 168 HG2 LYS 22 1HG LYS 22 -5.736 15.752 0.998 169 HG3 LYS 22 2HG LYS 22 -7.050 15.141 2.004 170 HD2 LYS 22 1HD LYS 22 -5.127 14.599 3.685 171 HD3 LYS 22 2HD LYS 22 -4.231 15.799 2.751 172 HE2 LYS 22 1HE LYS 22 -5.205 17.031 4.481 173 HE3 LYS 22 2HE LYS 22 -6.267 17.313 3.102 174 HZ1 LYS 22 3HZ LYS 22 -6.810 15.974 5.597 175 HZ2 LYS 22 1HZ LYS 22 -7.363 15.133 4.237 176 HZ3 LYS 22 2HZ LYS 22 -7.875 16.720 4.515 177 H ASP 23 H ASP 23 -2.590 13.304 -0.487 178 HA ASP 23 HA ASP 23 -2.613 10.532 -1.214 179 HB2 ASP 23 1HB ASP 23 -0.205 12.236 -0.559 180 HB3 ASP 23 2HB ASP 23 -0.243 10.765 -1.527 181 H THR 24 H THR 24 -2.656 8.886 0.149 182 HA THR 24 HA THR 24 -1.733 9.304 2.910 183 HB THR 24 HB THR 24 -3.464 7.044 1.897 184 HG1 THR 24 1HG THR 24 -4.281 9.385 1.836 185 HG21 THR 24 3HG2 THR 24 -2.132 6.863 4.088 186 HG22 THR 24 1HG2 THR 24 -3.861 6.520 4.147 187 HG23 THR 24 2HG2 THR 24 -3.251 8.075 4.711 188 H PHE 25 H PHE 25 -0.072 8.167 3.726 189 HA PHE 25 HA PHE 25 0.986 5.920 2.148 190 HB2 PHE 25 1HB PHE 25 2.666 8.033 3.514 191 HB3 PHE 25 2HB PHE 25 3.260 6.674 2.566 192 HD1 PHE 25 2HD PHE 25 1.409 9.861 2.386 193 HD2 PHE 25 1HD PHE 25 3.403 6.790 0.215 194 HE1 PHE 25 2HE PHE 25 1.335 11.251 0.359 195 HE2 PHE 25 1HE PHE 25 3.332 8.176 -1.816 196 HZ PHE 25 HZ PHE 25 2.296 10.409 -1.747 197 H ILE 26 H ILE 26 1.115 4.119 3.298 198 HA ILE 26 HA ILE 26 1.956 4.183 6.072 199 HB ILE 26 HB ILE 26 -0.415 4.461 6.381 200 HG12 ILE 26 1HG1 ILE 26 -0.934 2.438 7.671 201 HG13 ILE 26 2HG1 ILE 26 0.355 1.571 6.846 202 HG21 ILE 26 1HG2 ILE 26 -1.909 3.683 4.938 203 HG22 ILE 26 2HG2 ILE 26 -0.607 2.901 4.042 204 HG23 ILE 26 3HG2 ILE 26 -1.450 2.022 5.317 205 HD11 ILE 26 3HD1 ILE 26 1.255 4.030 8.113 206 HD12 ILE 26 1HD1 ILE 26 0.571 2.864 9.244 207 HD13 ILE 26 2HD1 ILE 26 1.915 2.397 8.200 208 H LYS 27 H LYS 27 3.450 2.660 6.218 209 HA LYS 27 HA LYS 27 4.015 0.718 4.336 210 HB2 LYS 27 1HB LYS 27 5.198 1.576 6.640 211 HB3 LYS 27 2HB LYS 27 4.670 -0.035 7.108 212 HG2 LYS 27 1HG LYS 27 6.178 -1.056 5.794 213 HG3 LYS 27 2HG LYS 27 6.020 0.136 4.502 214 HD2 LYS 27 1HD LYS 27 7.332 1.727 5.904 215 HD3 LYS 27 2HD LYS 27 7.593 0.420 7.062 216 HE2 LYS 27 1HE LYS 27 8.314 -0.703 4.645 217 HE3 LYS 27 2HE LYS 27 8.901 0.956 4.517 218 HZ1 LYS 27 3HZ LYS 27 9.445 -0.491 6.999 219 HZ2 LYS 27 1HZ LYS 27 10.386 0.659 6.189 220 HZ3 LYS 27 2HZ LYS 27 10.330 -0.935 5.628 221 H CYS 28 H CYS 28 3.200 -1.215 3.832 222 HA CYS 28 HA CYS 28 0.859 -2.164 5.211 223 HB2 CYS 28 1HB CYS 28 2.322 -3.616 3.012 224 HB3 CYS 28 2HB CYS 28 0.616 -3.709 3.430 225 HG CYS 28 HG CYS 28 2.224 -1.499 1.487 226 HA PRO 29 HA PRO 29 2.674 -5.135 7.881 227 HB2 PRO 29 1HB PRO 29 0.778 -7.077 7.875 228 HB3 PRO 29 2HB PRO 29 0.559 -5.524 8.689 229 HG2 PRO 29 1HG PRO 29 -0.441 -6.418 6.013 230 HG3 PRO 29 2HG PRO 29 -1.287 -5.505 7.274 231 HD2 PRO 29 1HD PRO 29 -0.214 -4.318 5.090 232 HD3 PRO 29 2HD PRO 29 -0.304 -3.511 6.669 233 H LYS 30 H LYS 30 4.444 -5.627 6.407 234 HA LYS 30 HA LYS 30 4.335 -8.400 5.534 235 HB2 LYS 30 1HB LYS 30 5.002 -6.101 3.695 236 HB3 LYS 30 2HB LYS 30 5.464 -7.764 3.356 237 HG2 LYS 30 1HG LYS 30 2.618 -6.929 3.835 238 HG3 LYS 30 2HG LYS 30 3.366 -6.940 2.235 239 HD2 LYS 30 1HD LYS 30 3.299 -9.188 2.086 240 HD3 LYS 30 2HD LYS 30 3.718 -9.413 3.786 241 HE2 LYS 30 1HE LYS 30 1.213 -8.354 3.968 242 HE3 LYS 30 2HE LYS 30 1.092 -9.296 2.482 243 HZ1 LYS 30 3HZ LYS 30 1.828 -10.267 5.184 244 HZ2 LYS 30 1HZ LYS 30 2.044 -11.193 3.784 245 HZ3 LYS 30 2HZ LYS 30 0.490 -10.715 4.250 246 H PHE 31 H PHE 31 5.669 -8.341 7.545 247 HA PHE 31 HA PHE 31 8.249 -7.120 7.479 248 HB2 PHE 31 1HB PHE 31 7.327 -9.390 9.248 249 HB3 PHE 31 2HB PHE 31 8.664 -8.287 9.550 250 HD1 PHE 31 1HD PHE 31 5.036 -8.696 9.570 251 HD2 PHE 31 2HD PHE 31 8.267 -6.027 10.309 252 HE1 PHE 31 1HE PHE 31 3.513 -7.195 10.789 253 HE2 PHE 31 2HE PHE 31 6.752 -4.522 11.529 254 HZ PHE 31 HZ PHE 31 4.371 -5.105 11.771 255 H ASP 32 H ASP 32 9.929 -9.134 8.408 256 HA ASP 32 HA ASP 32 11.071 -10.132 6.120 257 HB2 ASP 32 1HB ASP 32 12.097 -10.073 8.419 258 HB3 ASP 32 2HB ASP 32 11.173 -11.524 8.801 259 H ASN 33 H ASN 33 9.566 -11.018 4.708 260 HA ASN 33 HA ASN 33 9.210 -13.773 4.761 261 HB2 ASN 33 1HB ASN 33 7.434 -12.593 6.523 262 HB3 ASN 33 2HB ASN 33 6.469 -12.803 5.065 263 HD21 ASN 33 2HD2 ASN 33 8.810 -14.592 7.042 264 HD22 ASN 33 1HD2 ASN 33 7.982 -16.106 6.955 265 H LYS 34 H LYS 34 7.419 -10.838 3.827 266 HA LYS 34 HA LYS 34 7.836 -11.454 1.030 267 HB2 LYS 34 1HB LYS 34 5.088 -11.420 2.273 268 HB3 LYS 34 2HB LYS 34 5.357 -11.191 0.550 269 HG2 LYS 34 1HG LYS 34 6.124 -13.625 2.149 270 HG3 LYS 34 2HG LYS 34 4.746 -13.489 1.054 271 HD2 LYS 34 1HD LYS 34 7.065 -12.668 -0.360 272 HD3 LYS 34 2HD LYS 34 7.438 -14.191 0.452 273 HE2 LYS 34 1HE LYS 34 4.908 -13.825 -1.120 274 HE3 LYS 34 2HE LYS 34 6.419 -14.291 -1.902 275 HZ1 LYS 34 3HZ LYS 34 5.205 -16.255 -1.383 276 HZ2 LYS 34 1HZ LYS 34 4.974 -15.775 0.223 277 HZ3 LYS 34 2HZ LYS 34 6.521 -16.184 -0.323 278 H LYS 35 H LYS 35 9.044 -9.423 1.989 279 HA LYS 35 HA LYS 35 7.460 -7.028 2.149 280 HB2 LYS 35 1HB LYS 35 10.112 -7.797 2.812 281 HB3 LYS 35 2HB LYS 35 10.225 -6.456 1.680 282 HG2 LYS 35 1HG LYS 35 8.328 -5.514 3.345 283 HG3 LYS 35 2HG LYS 35 9.263 -6.515 4.458 284 HD2 LYS 35 1HD LYS 35 10.500 -4.464 2.629 285 HD3 LYS 35 2HD LYS 35 10.002 -4.116 4.287 286 HE2 LYS 35 1HE LYS 35 12.149 -4.681 4.725 287 HE3 LYS 35 2HE LYS 35 11.473 -6.310 4.725 288 HZ1 LYS 35 3HZ LYS 35 13.467 -6.203 3.383 289 HZ2 LYS 35 1HZ LYS 35 12.800 -4.977 2.426 290 HZ3 LYS 35 2HZ LYS 35 12.129 -6.530 2.402 291 H CYS 36 H CYS 36 7.952 -5.130 0.739 292 HA CYS 36 HA CYS 36 7.284 -5.596 -1.893 293 HB2 CYS 36 1HB CYS 36 7.854 -3.291 -2.333 294 HB3 CYS 36 2HB CYS 36 7.141 -3.397 -0.727 295 HG CYS 36 HG CYS 36 9.301 -1.516 -0.870 296 H THR 37 H THR 37 8.372 -5.857 -3.798 297 HA THR 37 HA THR 37 11.273 -5.758 -3.852 298 HB THR 37 HB THR 37 11.350 -8.081 -4.905 299 HG1 THR 37 1HG THR 37 9.623 -9.357 -4.706 300 HG21 THR 37 3HG2 THR 37 11.629 -9.174 -2.786 301 HG22 THR 37 1HG2 THR 37 10.597 -7.991 -1.984 302 HG23 THR 37 2HG2 THR 37 12.170 -7.505 -2.614 303 H LYS 38 H LYS 38 9.576 -4.083 -5.159 304 HA LYS 38 HA LYS 38 10.395 -4.320 -7.836 305 HB2 LYS 38 1HB LYS 38 8.122 -5.861 -7.269 306 HB3 LYS 38 2HB LYS 38 7.515 -4.424 -8.080 307 HG2 LYS 38 1HG LYS 38 8.287 -5.090 -10.057 308 HG3 LYS 38 2HG LYS 38 9.858 -5.535 -9.389 309 HD2 LYS 38 1HD LYS 38 9.131 -7.604 -10.006 310 HD3 LYS 38 2HD LYS 38 8.435 -7.540 -8.386 311 HE2 LYS 38 1HE LYS 38 6.301 -7.268 -9.166 312 HE3 LYS 38 2HE LYS 38 6.827 -6.467 -10.644 313 HZ1 LYS 38 3HZ LYS 38 7.797 -9.095 -10.663 314 HZ2 LYS 38 1HZ LYS 38 6.667 -8.386 -11.704 315 HZ3 LYS 38 2HZ LYS 38 6.148 -9.152 -10.288 316 H ASP 39 H ASP 39 9.986 -2.454 -9.022 317 HA ASP 39 HA ASP 39 9.389 -0.130 -7.486 318 HB2 ASP 39 1HB ASP 39 9.483 -0.102 -10.482 319 HB3 ASP 39 2HB ASP 39 10.073 1.100 -9.338 320 H ASN 40 H ASN 40 7.452 0.651 -7.023 321 HA ASN 40 HA ASN 40 5.232 1.135 -7.106 322 HB2 ASN 40 1HB ASN 40 5.997 1.059 -9.996 323 HB3 ASN 40 2HB ASN 40 4.290 1.174 -9.576 324 HD21 ASN 40 2HD2 ASN 40 7.148 2.559 -8.019 325 HD22 ASN 40 1HD2 ASN 40 6.651 4.206 -8.179 326 H ASN 41 H ASN 41 5.495 -1.278 -6.216 327 HA ASN 41 HA ASN 41 4.492 -3.417 -7.726 328 HB2 ASN 41 1HB ASN 41 5.363 -2.996 -5.072 329 HB3 ASN 41 2HB ASN 41 3.745 -3.685 -4.961 330 HD21 ASN 41 2HD2 ASN 41 6.461 -4.763 -4.376 331 HD22 ASN 41 1HD2 ASN 41 6.548 -6.246 -5.258 332 H LYS 42 H LYS 42 2.401 -4.510 -6.307 333 HA LYS 42 HA LYS 42 0.202 -2.665 -6.966 334 HB2 LYS 42 1HB LYS 42 0.666 -5.117 -8.038 335 HB3 LYS 42 2HB LYS 42 -0.393 -5.544 -6.700 336 HG2 LYS 42 1HG LYS 42 -2.180 -4.369 -7.562 337 HG3 LYS 42 2HG LYS 42 -1.152 -3.326 -8.548 338 HD2 LYS 42 1HD LYS 42 -1.036 -4.822 -10.246 339 HD3 LYS 42 2HD LYS 42 -1.054 -6.215 -9.162 340 HE2 LYS 42 1HE LYS 42 -3.521 -4.566 -9.407 341 HE3 LYS 42 2HE LYS 42 -3.104 -5.656 -10.729 342 HZ1 LYS 42 3HZ LYS 42 -4.465 -6.347 -8.491 343 HZ2 LYS 42 1HZ LYS 42 -2.898 -6.881 -8.141 344 HZ3 LYS 42 2HZ LYS 42 -3.685 -7.428 -9.534 345 H CYS 43 H CYS 43 -0.694 -1.798 -5.220 346 HA CYS 43 HA CYS 43 -1.148 -3.523 -2.879 347 HB2 CYS 43 1HB CYS 43 0.207 -0.905 -3.044 348 HB3 CYS 43 2HB CYS 43 -0.969 -1.059 -1.743 349 HG CYS 43 HG CYS 43 1.408 -3.458 -2.135 350 H THR 44 H THR 44 -2.802 -2.411 -1.357 351 HA THR 44 HA THR 44 -4.751 -0.704 -2.564 352 HB THR 44 HB THR 44 -6.480 -2.766 -2.037 353 HG1 THR 44 1HG THR 44 -5.456 -4.475 -3.431 354 HG21 THR 44 3HG2 THR 44 -5.964 -2.978 -4.763 355 HG22 THR 44 1HG2 THR 44 -5.485 -1.332 -4.350 356 HG23 THR 44 2HG2 THR 44 -7.119 -1.890 -3.991 357 H VAL 45 H VAL 45 -6.684 -0.431 -1.131 358 HA VAL 45 HA VAL 45 -6.337 -1.308 1.619 359 HB VAL 45 HB VAL 45 -6.261 1.606 0.835 360 HG11 VAL 45 1HG1 VAL 45 -7.306 0.335 3.222 361 HG12 VAL 45 2HG1 VAL 45 -5.993 1.457 3.585 362 HG13 VAL 45 3HG1 VAL 45 -7.412 2.015 2.699 363 HG21 VAL 45 3HG2 VAL 45 -4.164 1.627 2.081 364 HG22 VAL 45 1HG2 VAL 45 -4.353 -0.088 2.445 365 HG23 VAL 45 2HG2 VAL 45 -4.107 0.439 0.780 366 H ASP 46 H ASP 46 -8.251 -1.726 2.515 367 HA ASP 46 HA ASP 46 -10.657 -0.679 1.185 368 HB2 ASP 46 1HB ASP 46 -10.190 -3.169 2.828 369 HB3 ASP 46 2HB ASP 46 -11.800 -2.602 2.394 370 H THR 47 H THR 47 -11.858 0.769 2.212 371 HA THR 47 HA THR 47 -11.195 1.649 4.845 372 HB THR 47 HB THR 47 -13.487 2.941 4.451 373 HG1 THR 47 1HG THR 47 -12.673 2.503 1.773 374 HG21 THR 47 3HG2 THR 47 -10.869 3.471 3.050 375 HG22 THR 47 1HG2 THR 47 -11.395 4.087 4.616 376 HG23 THR 47 2HG2 THR 47 -12.185 4.641 3.140 377 H TYR 48 H TYR 48 -13.179 -0.817 3.661 378 HA TYR 48 HA TYR 48 -15.369 -0.858 5.337 379 HB2 TYR 48 1HB TYR 48 -15.000 -2.454 3.487 380 HB3 TYR 48 2HB TYR 48 -13.746 -3.247 4.433 381 HD1 TYR 48 1HD TYR 48 -17.357 -2.692 4.091 382 HD2 TYR 48 2HD TYR 48 -14.310 -4.699 6.280 383 HE1 TYR 48 1HE TYR 48 -19.057 -4.151 5.108 384 HE2 TYR 48 2HE TYR 48 -16.001 -6.164 7.302 385 HH TYR 48 HH TYR 48 -18.236 -6.959 6.897 386 H ASN 49 H ASN 49 -12.113 -2.130 5.958 387 HA ASN 49 HA ASN 49 -12.594 -1.869 8.820 388 HB2 ASN 49 1HB ASN 49 -11.986 -4.458 7.421 389 HB3 ASN 49 2HB ASN 49 -11.473 -4.197 9.085 390 HD21 ASN 49 2HD2 ASN 49 -13.356 -6.127 8.078 391 HD22 ASN 49 1HD2 ASN 49 -14.863 -5.809 8.861 392 H ASN 50 H ASN 50 -11.000 -0.341 7.055 393 HA ASN 50 HA ASN 50 -8.881 0.442 6.721 394 HB2 ASN 50 1HB ASN 50 -9.417 0.443 9.376 395 HB3 ASN 50 2HB ASN 50 -7.958 -0.543 9.354 396 HD21 ASN 50 2HD2 ASN 50 -6.571 0.618 7.286 397 HD22 ASN 50 1HD2 ASN 50 -6.134 2.231 7.725 398 H ALA 51 H ALA 51 -9.178 -2.027 5.566 399 HA ALA 51 HA ALA 51 -6.983 -3.741 6.349 400 HB1 ALA 51 1HB ALA 51 -9.176 -4.582 5.451 401 HB2 ALA 51 2HB ALA 51 -8.678 -3.974 3.872 402 HB3 ALA 51 3HB ALA 51 -7.739 -5.237 4.668 403 H VAL 52 H VAL 52 -5.158 -4.212 5.079 404 HA VAL 52 HA VAL 52 -4.570 -2.316 2.909 405 HB VAL 52 HB VAL 52 -2.554 -3.096 5.015 406 HG11 VAL 52 1HG1 VAL 52 -1.072 -1.648 3.974 407 HG12 VAL 52 2HG1 VAL 52 -1.898 -2.397 2.607 408 HG13 VAL 52 3HG1 VAL 52 -2.354 -0.777 3.134 409 HG21 VAL 52 3HG2 VAL 52 -3.889 -1.734 6.280 410 HG22 VAL 52 1HG2 VAL 52 -2.857 -0.525 5.517 411 HG23 VAL 52 2HG2 VAL 52 -4.476 -0.827 4.886 412 H ASP 53 H ASP 53 -4.451 -3.587 1.170 413 HA ASP 53 HA ASP 53 -3.460 -6.291 1.323 414 HB2 ASP 53 1HB ASP 53 -4.976 -4.696 -0.562 415 HB3 ASP 53 2HB ASP 53 -3.692 -5.586 -1.376 416 H CYS 54 H CYS 54 -1.675 -7.110 0.108 417 HA CYS 54 HA CYS 54 0.316 -5.116 -0.712 418 HB2 CYS 54 1HB CYS 54 1.364 -7.497 0.706 419 HB3 CYS 54 2HB CYS 54 1.944 -5.837 0.712 420 HG CYS 54 HG CYS 54 -0.425 -5.119 2.348 421 H ASP 55 H ASP 55 1.499 -5.662 -2.473 422 HA ASP 55 HA ASP 55 0.596 -7.549 -4.274 423 HB2 ASP 55 1HB ASP 55 2.205 -5.578 -4.647 424 HB3 ASP 55 2HB ASP 55 3.482 -6.697 -4.176 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -16.649 0.343 1.388 2 HA ALA 1 HA ALA 1 -15.864 0.334 -1.423 3 HB1 ALA 1 1HB ALA 1 -16.551 2.352 0.394 4 HB2 ALA 1 2HB ALA 1 -14.834 2.571 0.053 5 HB3 ALA 1 3HB ALA 1 -16.000 2.544 -1.270 6 H LYS 2 H LYS 2 -13.602 0.981 -1.952 7 HA LYS 2 HA LYS 2 -11.546 0.412 -0.020 8 HB2 LYS 2 1HB LYS 2 -10.580 -1.500 -1.171 9 HB3 LYS 2 2HB LYS 2 -12.228 -1.864 -0.676 10 HG2 LYS 2 1HG LYS 2 -11.669 -0.853 -3.432 11 HG3 LYS 2 2HG LYS 2 -11.427 -2.555 -3.031 12 HD2 LYS 2 1HD LYS 2 -13.890 -2.094 -1.968 13 HD3 LYS 2 2HD LYS 2 -13.911 -1.027 -3.375 14 HE2 LYS 2 1HE LYS 2 -13.233 -2.938 -4.787 15 HE3 LYS 2 2HE LYS 2 -13.313 -3.985 -3.370 16 HZ1 LYS 2 3HZ LYS 2 -15.710 -3.116 -3.199 17 HZ2 LYS 2 1HZ LYS 2 -15.357 -4.286 -4.371 18 HZ3 LYS 2 2HZ LYS 2 -15.514 -2.661 -4.817 19 H TYR 3 H TYR 3 -9.332 0.360 -1.201 20 HA TYR 3 HA TYR 3 -9.395 2.204 -3.494 21 HB2 TYR 3 1HB TYR 3 -7.511 2.384 -1.134 22 HB3 TYR 3 2HB TYR 3 -7.494 3.429 -2.549 23 HD1 TYR 3 2HD TYR 3 -9.568 2.422 0.362 24 HD2 TYR 3 1HD TYR 3 -8.835 5.355 -2.631 25 HE1 TYR 3 2HE TYR 3 -11.146 3.945 1.477 26 HE2 TYR 3 1HE TYR 3 -10.410 6.886 -1.524 27 HH TYR 3 HH TYR 3 -11.821 6.131 1.594 28 H THR 4 H THR 4 -7.265 2.290 -4.646 29 HA THR 4 HA THR 4 -5.645 -0.123 -4.384 30 HB THR 4 HB THR 4 -7.458 -0.708 -5.977 31 HG1 THR 4 1HG THR 4 -5.064 -0.479 -7.459 32 HG21 THR 4 3HG2 THR 4 -7.556 0.347 -8.157 33 HG22 THR 4 1HG2 THR 4 -6.235 1.431 -7.722 34 HG23 THR 4 2HG2 THR 4 -7.790 1.564 -6.901 35 H GLY 5 H GLY 5 -3.542 0.229 -4.827 36 HA2 GLY 5 1HA GLY 5 -2.764 2.457 -6.540 37 HA3 GLY 5 2HA GLY 5 -2.268 2.558 -4.857 38 H LYS 6 H LYS 6 -0.106 2.313 -5.016 39 HA LYS 6 HA LYS 6 0.854 -0.304 -5.881 40 HB2 LYS 6 1HB LYS 6 2.445 2.078 -6.733 41 HB3 LYS 6 2HB LYS 6 2.408 0.457 -7.416 42 HG2 LYS 6 1HG LYS 6 0.098 0.963 -8.249 43 HG3 LYS 6 2HG LYS 6 0.359 2.634 -7.742 44 HD2 LYS 6 1HD LYS 6 2.397 1.331 -9.481 45 HD3 LYS 6 2HD LYS 6 0.877 1.858 -10.207 46 HE2 LYS 6 1HE LYS 6 2.662 3.629 -8.545 47 HE3 LYS 6 2HE LYS 6 2.720 3.545 -10.305 48 HZ1 LYS 6 3HZ LYS 6 0.083 3.993 -9.225 49 HZ2 LYS 6 1HZ LYS 6 0.880 4.774 -10.498 50 HZ3 LYS 6 2HZ LYS 6 1.178 5.241 -8.900 51 H CYS 7 H CYS 7 3.242 -0.548 -5.293 52 HA CYS 7 HA CYS 7 3.928 1.006 -2.901 53 HB2 CYS 7 1HB CYS 7 4.739 -1.240 -1.918 54 HB3 CYS 7 2HB CYS 7 3.015 -0.891 -1.877 55 HG CYS 7 HG CYS 7 2.784 -2.387 -4.444 56 H THR 8 H THR 8 6.150 1.100 -2.413 57 HA THR 8 HA THR 8 7.852 0.732 -4.742 58 HB THR 8 HB THR 8 9.391 1.748 -2.612 59 HG1 THR 8 1HG THR 8 8.120 3.369 -1.771 60 HG21 THR 8 3HG2 THR 8 8.661 3.938 -4.093 61 HG22 THR 8 1HG2 THR 8 8.364 2.608 -5.212 62 HG23 THR 8 2HG2 THR 8 9.964 2.822 -4.499 63 H LYS 9 H LYS 9 9.765 -0.458 -4.760 64 HA LYS 9 HA LYS 9 9.755 -2.928 -3.492 65 HB2 LYS 9 1HB LYS 9 11.647 -1.388 -5.129 66 HB3 LYS 9 2HB LYS 9 12.413 -2.545 -4.048 67 HG2 LYS 9 1HG LYS 9 10.669 -4.208 -5.015 68 HG3 LYS 9 2HG LYS 9 10.545 -3.031 -6.324 69 HD2 LYS 9 1HD LYS 9 13.259 -3.891 -5.462 70 HD3 LYS 9 2HD LYS 9 12.285 -5.025 -6.401 71 HE2 LYS 9 1HE LYS 9 12.708 -3.914 -8.279 72 HE3 LYS 9 2HE LYS 9 12.146 -2.404 -7.565 73 HZ1 LYS 9 3HZ LYS 9 14.863 -3.449 -7.802 74 HZ2 LYS 9 1HZ LYS 9 14.499 -2.540 -6.423 75 HZ3 LYS 9 2HZ LYS 9 14.298 -1.863 -7.959 76 H SER 10 H SER 10 12.333 -0.548 -2.910 77 HA SER 10 HA SER 10 13.127 -1.631 -0.460 78 HB2 SER 10 1HB SER 10 14.504 0.295 -0.202 79 HB3 SER 10 2HB SER 10 14.415 -0.005 -1.938 80 HG SER 10 HG SER 10 13.672 2.176 -0.564 81 H LYS 11 H LYS 11 10.719 0.799 -1.235 82 HA LYS 11 HA LYS 11 10.094 1.078 1.626 83 HB2 LYS 11 1HB LYS 11 10.137 2.943 -0.603 84 HB3 LYS 11 2HB LYS 11 8.591 2.965 0.235 85 HG2 LYS 11 1HG LYS 11 9.469 4.235 1.815 86 HG3 LYS 11 2HG LYS 11 10.626 2.959 2.201 87 HD2 LYS 11 1HD LYS 11 11.735 4.020 -0.041 88 HD3 LYS 11 2HD LYS 11 10.987 5.448 0.679 89 HE2 LYS 11 1HE LYS 11 12.122 4.448 2.867 90 HE3 LYS 11 2HE LYS 11 13.215 3.755 1.670 91 HZ1 LYS 11 3HZ LYS 11 12.578 6.594 1.423 92 HZ2 LYS 11 1HZ LYS 11 14.023 5.777 1.097 93 HZ3 LYS 11 2HZ LYS 11 13.598 6.138 2.693 94 H ASN 12 H ASN 12 8.810 -0.720 1.930 95 HA ASN 12 HA ASN 12 6.631 -1.325 0.150 96 HB2 ASN 12 1HB ASN 12 7.745 -3.155 1.277 97 HB3 ASN 12 2HB ASN 12 7.397 -2.448 2.852 98 HD21 ASN 12 2HD2 ASN 12 6.173 -4.037 3.698 99 HD22 ASN 12 1HD2 ASN 12 4.654 -4.545 3.051 100 H GLU 13 H GLU 13 5.721 0.901 0.370 101 HA GLU 13 HA GLU 13 3.737 0.915 2.529 102 HB2 GLU 13 1HB GLU 13 4.106 3.164 3.105 103 HB3 GLU 13 2HB GLU 13 5.715 2.463 3.006 104 HG2 GLU 13 1HG GLU 13 5.366 3.364 0.468 105 HG3 GLU 13 2HG GLU 13 4.473 4.567 1.398 106 H CYS 14 H CYS 14 1.744 1.739 1.981 107 HA CYS 14 HA CYS 14 1.231 1.955 -0.865 108 HB2 CYS 14 1HB CYS 14 -0.259 0.593 0.522 109 HB3 CYS 14 2HB CYS 14 -0.662 2.002 1.495 110 HG CYS 14 HG CYS 14 -2.804 2.377 0.130 111 H LYS 15 H LYS 15 1.325 3.835 -1.879 112 HA LYS 15 HA LYS 15 0.867 6.305 -0.354 113 HB2 LYS 15 1HB LYS 15 2.019 7.432 -2.243 114 HB3 LYS 15 2HB LYS 15 3.023 6.233 -1.440 115 HG2 LYS 15 1HG LYS 15 1.509 5.183 -3.709 116 HG3 LYS 15 2HG LYS 15 2.669 6.444 -4.130 117 HD2 LYS 15 1HD LYS 15 4.336 5.104 -2.707 118 HD3 LYS 15 2HD LYS 15 3.167 3.786 -2.825 119 HE2 LYS 15 1HE LYS 15 4.644 3.406 -4.595 120 HE3 LYS 15 2HE LYS 15 3.254 4.183 -5.351 121 HZ1 LYS 15 3HZ LYS 15 5.107 5.261 -6.237 122 HZ2 LYS 15 1HZ LYS 15 5.902 5.350 -4.745 123 HZ3 LYS 15 2HZ LYS 15 4.553 6.326 -5.044 124 H TYR 16 H TYR 16 -1.477 5.340 -0.696 125 HA TYR 16 HA TYR 16 -2.600 6.110 -3.272 126 HB2 TYR 16 1HB TYR 16 -4.544 4.958 -2.643 127 HB3 TYR 16 2HB TYR 16 -3.243 3.999 -1.947 128 HD1 TYR 16 2HD TYR 16 -2.669 4.435 0.530 129 HD2 TYR 16 1HD TYR 16 -6.293 5.713 -1.298 130 HE1 TYR 16 2HE TYR 16 -3.716 4.616 2.748 131 HE2 TYR 16 1HE TYR 16 -7.350 5.900 0.916 132 HH TYR 16 HH TYR 16 -6.739 4.605 3.361 133 H LYS 17 H LYS 17 -5.053 7.034 -2.716 134 HA LYS 17 HA LYS 17 -4.626 9.436 -1.066 135 HB2 LYS 17 1HB LYS 17 -6.047 9.314 -3.733 136 HB3 LYS 17 2HB LYS 17 -5.897 10.741 -2.715 137 HG2 LYS 17 1HG LYS 17 -3.492 10.737 -3.015 138 HG3 LYS 17 2HG LYS 17 -3.596 9.257 -3.972 139 HD2 LYS 17 1HD LYS 17 -5.289 10.734 -5.382 140 HD3 LYS 17 2HD LYS 17 -4.335 12.048 -4.687 141 HE2 LYS 17 1HE LYS 17 -3.022 11.688 -6.483 142 HE3 LYS 17 2HE LYS 17 -2.362 10.395 -5.484 143 HZ1 LYS 17 3HZ LYS 17 -4.387 10.165 -7.636 144 HZ2 LYS 17 1HZ LYS 17 -4.064 8.915 -6.542 145 HZ3 LYS 17 2HZ LYS 17 -2.848 9.464 -7.581 146 H ASN 18 H ASN 18 -6.129 9.753 0.439 147 HA ASN 18 HA ASN 18 -8.693 8.327 0.162 148 HB2 ASN 18 1HB ASN 18 -8.707 7.851 2.428 149 HB3 ASN 18 2HB ASN 18 -6.985 7.755 2.072 150 HD21 ASN 18 2HD2 ASN 18 -5.826 9.914 2.307 151 HD22 ASN 18 1HD2 ASN 18 -6.216 10.833 3.716 152 H ASP 19 H ASP 19 -10.488 9.371 1.471 153 HA ASP 19 HA ASP 19 -11.834 11.145 1.963 154 HB2 ASP 19 1HB ASP 19 -9.645 11.976 3.078 155 HB3 ASP 19 2HB ASP 19 -9.509 13.028 1.671 156 H ALA 20 H ALA 20 -9.419 12.634 -0.195 157 HA ALA 20 HA ALA 20 -10.917 12.463 -2.552 158 HB1 ALA 20 1HB ALA 20 -12.576 13.861 -1.644 159 HB2 ALA 20 2HB ALA 20 -11.386 14.956 -0.940 160 HB3 ALA 20 3HB ALA 20 -11.608 14.903 -2.689 161 H GLY 21 H GLY 21 -8.221 12.221 -1.784 162 HA2 GLY 21 1HA GLY 21 -6.515 12.813 -3.501 163 HA3 GLY 21 2HA GLY 21 -7.002 14.482 -3.247 164 H LYS 22 H LYS 22 -7.075 12.815 -0.349 165 HA LYS 22 HA LYS 22 -4.759 14.228 0.617 166 HB2 LYS 22 1HB LYS 22 -7.101 13.001 1.752 167 HB3 LYS 22 2HB LYS 22 -5.666 12.422 2.588 168 HG2 LYS 22 1HG LYS 22 -5.788 15.326 2.118 169 HG3 LYS 22 2HG LYS 22 -6.980 14.671 3.244 170 HD2 LYS 22 1HD LYS 22 -4.250 13.662 3.626 171 HD3 LYS 22 2HD LYS 22 -4.440 15.394 3.911 172 HE2 LYS 22 1HE LYS 22 -6.610 14.419 5.206 173 HE3 LYS 22 2HE LYS 22 -5.471 13.093 5.431 174 HZ1 LYS 22 3HZ LYS 22 -3.955 14.506 6.511 175 HZ2 LYS 22 1HZ LYS 22 -5.462 14.874 7.186 176 HZ3 LYS 22 2HZ LYS 22 -4.775 15.907 6.036 177 H ASP 23 H ASP 23 -2.808 13.445 0.136 178 HA ASP 23 HA ASP 23 -2.178 10.824 -0.548 179 HB2 ASP 23 1HB ASP 23 0.159 11.452 -0.196 180 HB3 ASP 23 2HB ASP 23 -0.712 12.746 -1.015 181 H THR 24 H THR 24 -1.853 9.009 0.570 182 HA THR 24 HA THR 24 -1.465 9.203 3.482 183 HB THR 24 HB THR 24 -3.253 7.237 2.037 184 HG1 THR 24 1HG THR 24 -3.923 9.152 4.035 185 HG21 THR 24 3HG2 THR 24 -3.779 6.366 4.268 186 HG22 THR 24 1HG2 THR 24 -2.583 7.452 4.976 187 HG23 THR 24 2HG2 THR 24 -2.069 6.162 3.888 188 H PHE 25 H PHE 25 0.169 8.030 4.275 189 HA PHE 25 HA PHE 25 1.288 5.882 2.604 190 HB2 PHE 25 1HB PHE 25 2.880 7.913 4.184 191 HB3 PHE 25 2HB PHE 25 3.548 6.576 3.253 192 HD1 PHE 25 1HD PHE 25 1.659 9.742 2.980 193 HD2 PHE 25 2HD PHE 25 3.943 6.780 0.950 194 HE1 PHE 25 1HE PHE 25 1.750 11.183 0.987 195 HE2 PHE 25 2HE PHE 25 4.039 8.216 -1.045 196 HZ PHE 25 HZ PHE 25 2.942 10.421 -1.029 197 H ILE 26 H ILE 26 1.203 4.009 3.636 198 HA ILE 26 HA ILE 26 1.907 3.875 6.460 199 HB ILE 26 HB ILE 26 -0.466 4.097 6.642 200 HG12 ILE 26 1HG1 ILE 26 0.133 1.138 6.803 201 HG13 ILE 26 2HG1 ILE 26 0.690 2.311 7.992 202 HG21 ILE 26 1HG2 ILE 26 -1.786 3.567 4.940 203 HG22 ILE 26 2HG2 ILE 26 -0.469 2.701 4.151 204 HG23 ILE 26 3HG2 ILE 26 -1.518 1.860 5.291 205 HD11 ILE 26 3HD1 ILE 26 -1.933 2.881 7.972 206 HD12 ILE 26 1HD1 ILE 26 -1.984 1.166 7.566 207 HD13 ILE 26 2HD1 ILE 26 -1.192 1.700 9.050 208 H LYS 27 H LYS 27 3.555 2.492 6.396 209 HA LYS 27 HA LYS 27 4.130 0.612 4.464 210 HB2 LYS 27 1HB LYS 27 5.477 -0.526 6.318 211 HB3 LYS 27 2HB LYS 27 5.860 1.152 5.961 212 HG2 LYS 27 1HG LYS 27 3.827 0.813 8.035 213 HG3 LYS 27 2HG LYS 27 5.404 0.133 8.444 214 HD2 LYS 27 1HD LYS 27 6.394 2.165 8.555 215 HD3 LYS 27 2HD LYS 27 5.439 2.819 7.223 216 HE2 LYS 27 1HE LYS 27 3.682 2.307 9.390 217 HE3 LYS 27 2HE LYS 27 5.077 3.177 10.022 218 HZ1 LYS 27 3HZ LYS 27 4.343 5.040 9.110 219 HZ2 LYS 27 1HZ LYS 27 2.924 4.238 8.656 220 HZ3 LYS 27 2HZ LYS 27 4.227 4.325 7.580 221 H CYS 28 H CYS 28 3.444 -1.383 3.972 222 HA CYS 28 HA CYS 28 1.122 -2.431 5.269 223 HB2 CYS 28 1HB CYS 28 2.833 -3.883 3.255 224 HB3 CYS 28 2HB CYS 28 1.117 -4.101 3.575 225 HG CYS 28 HG CYS 28 1.316 -1.026 2.742 226 HA PRO 29 HA PRO 29 2.908 -5.124 8.238 227 HB2 PRO 29 1HB PRO 29 1.098 -7.147 8.252 228 HB3 PRO 29 2HB PRO 29 0.766 -5.558 8.949 229 HG2 PRO 29 1HG PRO 29 -0.035 -6.662 6.284 230 HG3 PRO 29 2HG PRO 29 -0.992 -5.712 7.435 231 HD2 PRO 29 1HD PRO 29 0.158 -4.617 5.242 232 HD3 PRO 29 2HD PRO 29 -0.058 -3.717 6.757 233 H LYS 30 H LYS 30 4.546 -5.422 6.272 234 HA LYS 30 HA LYS 30 4.846 -8.314 5.968 235 HB2 LYS 30 1HB LYS 30 5.036 -6.350 3.677 236 HB3 LYS 30 2HB LYS 30 5.499 -8.045 3.591 237 HG2 LYS 30 1HG LYS 30 3.410 -8.212 2.739 238 HG3 LYS 30 2HG LYS 30 3.008 -8.370 4.450 239 HD2 LYS 30 1HD LYS 30 2.548 -5.948 4.536 240 HD3 LYS 30 2HD LYS 30 2.888 -5.840 2.807 241 HE2 LYS 30 1HE LYS 30 0.458 -5.977 3.393 242 HE3 LYS 30 2HE LYS 30 1.019 -7.221 2.277 243 HZ1 LYS 30 3HZ LYS 30 0.558 -8.831 3.733 244 HZ2 LYS 30 1HZ LYS 30 -0.394 -7.680 4.527 245 HZ3 LYS 30 2HZ LYS 30 1.186 -7.978 5.051 246 H PHE 31 H PHE 31 6.191 -6.766 7.781 247 HA PHE 31 HA PHE 31 8.714 -5.888 6.716 248 HB2 PHE 31 1HB PHE 31 8.071 -6.407 9.618 249 HB3 PHE 31 2HB PHE 31 9.289 -5.321 8.957 250 HD1 PHE 31 2HD PHE 31 8.651 -3.175 7.994 251 HD2 PHE 31 1HD PHE 31 5.765 -5.766 9.749 252 HE1 PHE 31 2HE PHE 31 7.043 -1.316 8.086 253 HE2 PHE 31 1HE PHE 31 4.151 -3.910 9.842 254 HZ PHE 31 HZ PHE 31 4.790 -1.681 9.011 255 H ASP 32 H ASP 32 10.360 -7.159 6.220 256 HA ASP 32 HA ASP 32 11.824 -8.901 6.186 257 HB2 ASP 32 1HB ASP 32 11.274 -8.463 8.893 258 HB3 ASP 32 2HB ASP 32 11.111 -10.204 8.676 259 H ASN 33 H ASN 33 8.786 -9.161 5.627 260 HA ASN 33 HA ASN 33 8.824 -12.093 5.367 261 HB2 ASN 33 1HB ASN 33 6.841 -10.384 6.661 262 HB3 ASN 33 2HB ASN 33 6.137 -11.424 5.425 263 HD21 ASN 33 2HD2 ASN 33 7.401 -11.230 8.570 264 HD22 ASN 33 1HD2 ASN 33 7.287 -12.907 8.975 265 H LYS 34 H LYS 34 7.773 -9.001 4.070 266 HA LYS 34 HA LYS 34 8.146 -9.779 1.394 267 HB2 LYS 34 1HB LYS 34 5.934 -10.974 2.169 268 HB3 LYS 34 2HB LYS 34 5.228 -9.382 1.926 269 HG2 LYS 34 1HG LYS 34 5.425 -9.483 -0.328 270 HG3 LYS 34 2HG LYS 34 6.901 -10.450 -0.267 271 HD2 LYS 34 1HD LYS 34 4.239 -11.583 0.540 272 HD3 LYS 34 2HD LYS 34 4.768 -11.571 -1.144 273 HE2 LYS 34 1HE LYS 34 6.785 -12.816 -0.504 274 HE3 LYS 34 2HE LYS 34 6.228 -12.845 1.168 275 HZ1 LYS 34 3HZ LYS 34 4.414 -13.879 -0.873 276 HZ2 LYS 34 1HZ LYS 34 4.659 -14.397 0.719 277 HZ3 LYS 34 2HZ LYS 34 5.764 -14.822 -0.489 278 H LYS 35 H LYS 35 9.223 -7.687 2.265 279 HA LYS 35 HA LYS 35 7.571 -5.336 2.310 280 HB2 LYS 35 1HB LYS 35 10.524 -5.853 2.425 281 HB3 LYS 35 2HB LYS 35 9.924 -4.220 2.167 282 HG2 LYS 35 1HG LYS 35 8.459 -4.774 4.276 283 HG3 LYS 35 2HG LYS 35 9.738 -5.954 4.574 284 HD2 LYS 35 1HD LYS 35 10.468 -4.054 5.711 285 HD3 LYS 35 2HD LYS 35 11.352 -3.986 4.185 286 HE2 LYS 35 1HE LYS 35 9.835 -2.354 3.308 287 HE3 LYS 35 2HE LYS 35 8.761 -2.534 4.695 288 HZ1 LYS 35 3HZ LYS 35 10.348 -0.549 4.644 289 HZ2 LYS 35 1HZ LYS 35 11.559 -1.661 5.044 290 HZ3 LYS 35 2HZ LYS 35 10.241 -1.435 6.081 291 H CYS 36 H CYS 36 6.759 -6.285 0.067 292 HA CYS 36 HA CYS 36 6.457 -5.843 -2.143 293 HB2 CYS 36 1HB CYS 36 6.745 -3.473 -1.322 294 HB3 CYS 36 2HB CYS 36 8.439 -3.591 -1.784 295 HG CYS 36 HG CYS 36 6.380 -2.276 -3.601 296 H THR 37 H THR 37 7.431 -6.158 -4.209 297 HA THR 37 HA THR 37 10.276 -6.768 -4.290 298 HB THR 37 HB THR 37 9.800 -8.998 -5.390 299 HG1 THR 37 1HG THR 37 7.701 -9.188 -5.776 300 HG21 THR 37 3HG2 THR 37 10.011 -10.120 -3.395 301 HG22 THR 37 1HG2 THR 37 8.806 -9.122 -2.580 302 HG23 THR 37 2HG2 THR 37 10.423 -8.484 -2.882 303 H LYS 38 H LYS 38 8.792 -4.711 -5.514 304 HA LYS 38 HA LYS 38 9.714 -4.821 -8.135 305 HB2 LYS 38 1HB LYS 38 7.410 -6.361 -7.865 306 HB3 LYS 38 2HB LYS 38 6.835 -4.845 -8.546 307 HG2 LYS 38 1HG LYS 38 8.919 -5.237 -10.153 308 HG3 LYS 38 2HG LYS 38 8.585 -6.918 -9.726 309 HD2 LYS 38 1HD LYS 38 6.083 -5.861 -10.260 310 HD3 LYS 38 2HD LYS 38 7.123 -5.114 -11.475 311 HE2 LYS 38 1HE LYS 38 6.385 -7.099 -12.473 312 HE3 LYS 38 2HE LYS 38 8.012 -7.470 -11.904 313 HZ1 LYS 38 3HZ LYS 38 5.867 -8.984 -11.407 314 HZ2 LYS 38 1HZ LYS 38 5.890 -8.024 -10.014 315 HZ3 LYS 38 2HZ LYS 38 7.244 -8.950 -10.424 316 H ASP 39 H ASP 39 9.860 -2.786 -8.840 317 HA ASP 39 HA ASP 39 9.151 -0.587 -7.344 318 HB2 ASP 39 1HB ASP 39 10.690 -0.017 -8.941 319 HB3 ASP 39 2HB ASP 39 9.928 -1.007 -10.183 320 H ASN 40 H ASN 40 7.288 0.363 -6.878 321 HA ASN 40 HA ASN 40 5.054 0.826 -6.851 322 HB2 ASN 40 1HB ASN 40 5.038 0.914 -9.839 323 HB3 ASN 40 2HB ASN 40 4.315 2.028 -8.683 324 HD21 ASN 40 2HD2 ASN 40 6.462 2.595 -7.073 325 HD22 ASN 40 1HD2 ASN 40 7.657 3.447 -7.986 326 H ASN 41 H ASN 41 5.316 -1.780 -6.493 327 HA ASN 41 HA ASN 41 4.175 -3.506 -8.380 328 HB2 ASN 41 1HB ASN 41 5.161 -3.708 -5.752 329 HB3 ASN 41 2HB ASN 41 3.510 -4.316 -5.691 330 HD21 ASN 41 2HD2 ASN 41 5.856 -5.844 -5.291 331 HD22 ASN 41 1HD2 ASN 41 5.930 -7.032 -6.543 332 H LYS 42 H LYS 42 2.080 -4.816 -7.247 333 HA LYS 42 HA LYS 42 -0.066 -2.823 -7.463 334 HB2 LYS 42 1HB LYS 42 0.314 -5.249 -8.761 335 HB3 LYS 42 2HB LYS 42 -0.899 -5.614 -7.541 336 HG2 LYS 42 1HG LYS 42 -2.486 -4.382 -8.555 337 HG3 LYS 42 2HG LYS 42 -1.342 -3.145 -9.081 338 HD2 LYS 42 1HD LYS 42 -0.596 -4.527 -10.899 339 HD3 LYS 42 2HD LYS 42 -1.556 -5.889 -10.315 340 HE2 LYS 42 1HE LYS 42 -3.554 -4.929 -10.980 341 HE3 LYS 42 2HE LYS 42 -2.890 -3.296 -10.975 342 HZ1 LYS 42 3HZ LYS 42 -1.659 -3.786 -12.957 343 HZ2 LYS 42 1HZ LYS 42 -3.282 -4.181 -13.222 344 HZ3 LYS 42 2HZ LYS 42 -2.151 -5.404 -12.932 345 H CYS 43 H CYS 43 -0.807 -2.152 -5.560 346 HA CYS 43 HA CYS 43 -1.156 -4.148 -3.420 347 HB2 CYS 43 1HB CYS 43 -0.668 -2.489 -1.782 348 HB3 CYS 43 2HB CYS 43 0.595 -2.371 -3.001 349 HG CYS 43 HG CYS 43 0.172 0.219 -2.412 350 H THR 44 H THR 44 -2.679 -2.741 -1.667 351 HA THR 44 HA THR 44 -4.877 -1.392 -2.858 352 HB THR 44 HB THR 44 -6.279 -3.596 -1.845 353 HG1 THR 44 1HG THR 44 -4.548 -4.580 -3.840 354 HG21 THR 44 3HG2 THR 44 -6.578 -3.902 -4.487 355 HG22 THR 44 1HG2 THR 44 -5.847 -2.297 -4.474 356 HG23 THR 44 2HG2 THR 44 -7.343 -2.593 -3.587 357 H VAL 45 H VAL 45 -6.559 -0.864 -1.304 358 HA VAL 45 HA VAL 45 -6.045 -1.510 1.482 359 HB VAL 45 HB VAL 45 -5.960 1.342 0.488 360 HG11 VAL 45 1HG1 VAL 45 -7.052 1.569 2.499 361 HG12 VAL 45 2HG1 VAL 45 -6.265 0.157 3.209 362 HG13 VAL 45 3HG1 VAL 45 -5.368 1.664 3.015 363 HG21 VAL 45 3HG2 VAL 45 -3.692 1.298 1.564 364 HG22 VAL 45 1HG2 VAL 45 -3.871 -0.451 1.711 365 HG23 VAL 45 2HG2 VAL 45 -3.848 0.303 0.116 366 H ASP 46 H ASP 46 -8.028 -2.316 1.875 367 HA ASP 46 HA ASP 46 -10.404 -0.975 0.889 368 HB2 ASP 46 1HB ASP 46 -10.778 -3.238 0.776 369 HB3 ASP 46 2HB ASP 46 -9.816 -3.578 2.213 370 H THR 47 H THR 47 -11.910 0.093 2.111 371 HA THR 47 HA THR 47 -10.984 1.066 4.689 372 HB THR 47 HB THR 47 -13.459 2.228 4.227 373 HG1 THR 47 1HG THR 47 -13.117 2.938 1.967 374 HG21 THR 47 3HG2 THR 47 -12.157 4.221 3.638 375 HG22 THR 47 1HG2 THR 47 -10.728 3.218 3.400 376 HG23 THR 47 2HG2 THR 47 -11.442 3.369 5.005 377 H TYR 48 H TYR 48 -13.237 -1.200 3.427 378 HA TYR 48 HA TYR 48 -15.271 -1.287 5.256 379 HB2 TYR 48 1HB TYR 48 -14.992 -2.776 3.252 380 HB3 TYR 48 2HB TYR 48 -13.860 -3.740 4.194 381 HD1 TYR 48 1HD TYR 48 -14.764 -4.663 6.462 382 HD2 TYR 48 2HD TYR 48 -17.248 -3.320 3.278 383 HE1 TYR 48 1HE TYR 48 -16.634 -5.975 7.374 384 HE2 TYR 48 2HE TYR 48 -19.124 -4.627 4.183 385 HH TYR 48 HH TYR 48 -19.854 -5.611 6.255 386 H ASN 49 H ASN 49 -12.065 -2.783 5.575 387 HA ASN 49 HA ASN 49 -12.252 -2.584 8.458 388 HB2 ASN 49 1HB ASN 49 -13.307 -4.788 7.871 389 HB3 ASN 49 2HB ASN 49 -11.760 -5.285 7.190 390 HD21 ASN 49 2HD2 ASN 49 -10.456 -6.347 8.487 391 HD22 ASN 49 1HD2 ASN 49 -10.496 -6.322 10.213 392 H ASN 50 H ASN 50 -10.611 -1.306 6.545 393 HA ASN 50 HA ASN 50 -8.435 -0.878 5.996 394 HB2 ASN 50 1HB ASN 50 -8.668 -0.640 8.611 395 HB3 ASN 50 2HB ASN 50 -7.602 -2.041 8.624 396 HD21 ASN 50 2HD2 ASN 50 -7.790 0.881 6.621 397 HD22 ASN 50 1HD2 ASN 50 -6.151 1.365 6.875 398 H ALA 51 H ALA 51 -8.722 -2.781 4.468 399 HA ALA 51 HA ALA 51 -7.050 -5.072 5.200 400 HB1 ALA 51 1HB ALA 51 -8.268 -5.156 2.559 401 HB2 ALA 51 2HB ALA 51 -8.354 -6.316 3.885 402 HB3 ALA 51 3HB ALA 51 -9.445 -4.931 3.852 403 H VAL 52 H VAL 52 -4.951 -4.592 4.891 404 HA VAL 52 HA VAL 52 -4.146 -3.142 2.477 405 HB VAL 52 HB VAL 52 -2.384 -3.995 4.774 406 HG11 VAL 52 1HG1 VAL 52 -0.704 -2.991 3.702 407 HG12 VAL 52 2HG1 VAL 52 -1.740 -3.027 2.274 408 HG13 VAL 52 3HG1 VAL 52 -1.693 -1.589 3.296 409 HG21 VAL 52 3HG2 VAL 52 -4.200 -1.657 4.465 410 HG22 VAL 52 1HG2 VAL 52 -3.789 -2.586 5.906 411 HG23 VAL 52 2HG2 VAL 52 -2.642 -1.414 5.255 412 H ASP 53 H ASP 53 -3.169 -4.097 0.805 413 HA ASP 53 HA ASP 53 -2.098 -6.814 1.160 414 HB2 ASP 53 1HB ASP 53 -3.984 -5.828 -0.974 415 HB3 ASP 53 2HB ASP 53 -2.976 -7.252 -1.211 416 H CYS 54 H CYS 54 -0.688 -7.462 -0.723 417 HA CYS 54 HA CYS 54 0.552 -5.276 -2.168 418 HB2 CYS 54 1HB CYS 54 2.752 -5.562 -1.289 419 HB3 CYS 54 2HB CYS 54 1.677 -5.368 0.089 420 HG CYS 54 HG CYS 54 3.708 -7.284 0.616 421 H ASP 55 H ASP 55 2.290 -6.090 -3.646 422 HA ASP 55 HA ASP 55 1.558 -8.769 -4.617 423 HB2 ASP 55 1HB ASP 55 1.684 -6.307 -5.948 424 HB3 ASP 55 2HB ASP 55 3.101 -7.198 -6.495 Start of MODEL 15 1 H1 ALA 1 H ALA 1 -16.059 0.082 1.316 2 HA ALA 1 HA ALA 1 -15.342 0.073 -1.529 3 HB1 ALA 1 1HB ALA 1 -16.199 2.103 0.272 4 HB2 ALA 1 2HB ALA 1 -14.583 2.508 -0.307 5 HB3 ALA 1 3HB ALA 1 -15.887 2.221 -1.459 6 H LYS 2 H LYS 2 -13.229 0.326 -2.227 7 HA LYS 2 HA LYS 2 -11.103 0.363 -0.221 8 HB2 LYS 2 1HB LYS 2 -10.002 -1.491 -1.738 9 HB3 LYS 2 2HB LYS 2 -11.104 -1.926 -0.439 10 HG2 LYS 2 1HG LYS 2 -12.676 -2.693 -1.849 11 HG3 LYS 2 2HG LYS 2 -12.367 -1.435 -3.048 12 HD2 LYS 2 1HD LYS 2 -10.266 -2.640 -3.660 13 HD3 LYS 2 2HD LYS 2 -10.760 -3.945 -2.579 14 HE2 LYS 2 1HE LYS 2 -12.864 -4.145 -3.907 15 HE3 LYS 2 2HE LYS 2 -12.202 -2.968 -5.041 16 HZ1 LYS 2 3HZ LYS 2 -11.692 -5.754 -4.852 17 HZ2 LYS 2 1HZ LYS 2 -10.248 -4.880 -4.735 18 HZ3 LYS 2 2HZ LYS 2 -11.258 -4.669 -6.075 19 H TYR 3 H TYR 3 -8.922 0.601 -1.277 20 HA TYR 3 HA TYR 3 -9.158 2.207 -3.738 21 HB2 TYR 3 1HB TYR 3 -7.351 2.635 -1.353 22 HB3 TYR 3 2HB TYR 3 -7.200 3.512 -2.871 23 HD1 TYR 3 2HD TYR 3 -9.483 2.881 -0.018 24 HD2 TYR 3 1HD TYR 3 -8.542 5.397 -3.318 25 HE1 TYR 3 2HE TYR 3 -11.125 4.529 0.779 26 HE2 TYR 3 1HE TYR 3 -10.181 7.053 -2.529 27 HH TYR 3 HH TYR 3 -11.624 6.877 0.574 28 H THR 4 H THR 4 -7.548 2.011 -5.284 29 HA THR 4 HA THR 4 -5.777 -0.319 -4.944 30 HB THR 4 HB THR 4 -6.692 0.831 -7.581 31 HG1 THR 4 1HG THR 4 -8.561 0.006 -6.955 32 HG21 THR 4 3HG2 THR 4 -6.056 -1.441 -8.390 33 HG22 THR 4 1HG2 THR 4 -5.416 -1.787 -6.784 34 HG23 THR 4 2HG2 THR 4 -4.699 -0.507 -7.763 35 H GLY 5 H GLY 5 -3.660 0.051 -4.893 36 HA2 GLY 5 1HA GLY 5 -2.554 2.307 -6.400 37 HA3 GLY 5 2HA GLY 5 -2.267 2.265 -4.667 38 H LYS 6 H LYS 6 -0.120 1.898 -4.574 39 HA LYS 6 HA LYS 6 0.823 -0.736 -5.193 40 HB2 LYS 6 1HB LYS 6 2.784 0.272 -6.575 41 HB3 LYS 6 2HB LYS 6 1.249 -0.052 -7.370 42 HG2 LYS 6 1HG LYS 6 1.414 2.627 -6.232 43 HG3 LYS 6 2HG LYS 6 2.639 2.305 -7.462 44 HD2 LYS 6 1HD LYS 6 -0.317 1.811 -7.820 45 HD3 LYS 6 2HD LYS 6 0.529 3.259 -8.372 46 HE2 LYS 6 1HE LYS 6 1.162 2.216 -10.227 47 HE3 LYS 6 2HE LYS 6 1.943 0.950 -9.280 48 HZ1 LYS 6 3HZ LYS 6 -0.480 0.083 -9.050 49 HZ2 LYS 6 1HZ LYS 6 0.401 -0.238 -10.458 50 HZ3 LYS 6 2HZ LYS 6 -0.752 1.000 -10.445 51 H CYS 7 H CYS 7 3.342 -0.762 -4.805 52 HA CYS 7 HA CYS 7 3.871 0.932 -2.452 53 HB2 CYS 7 1HB CYS 7 3.950 -1.949 -2.786 54 HB3 CYS 7 2HB CYS 7 5.502 -1.328 -2.239 55 HG CYS 7 HG CYS 7 4.419 -0.035 0.012 56 H THR 8 H THR 8 6.432 0.600 -1.961 57 HA THR 8 HA THR 8 7.835 1.212 -4.481 58 HB THR 8 HB THR 8 9.180 2.570 -2.410 59 HG1 THR 8 1HG THR 8 7.038 2.344 -1.341 60 HG21 THR 8 3HG2 THR 8 8.479 3.043 -4.977 61 HG22 THR 8 1HG2 THR 8 9.110 4.279 -3.889 62 HG23 THR 8 2HG2 THR 8 7.370 4.129 -4.140 63 H LYS 9 H LYS 9 9.756 0.236 -4.791 64 HA LYS 9 HA LYS 9 10.507 -2.009 -3.353 65 HB2 LYS 9 1HB LYS 9 12.766 -1.672 -4.504 66 HB3 LYS 9 2HB LYS 9 11.353 -1.826 -5.540 67 HG2 LYS 9 1HG LYS 9 11.321 0.490 -6.003 68 HG3 LYS 9 2HG LYS 9 12.482 0.835 -4.719 69 HD2 LYS 9 1HD LYS 9 13.644 0.944 -6.805 70 HD3 LYS 9 2HD LYS 9 14.158 -0.527 -5.978 71 HE2 LYS 9 1HE LYS 9 12.964 -1.902 -7.420 72 HE3 LYS 9 2HE LYS 9 11.895 -0.599 -7.935 73 HZ1 LYS 9 3HZ LYS 9 13.650 -1.342 -9.570 74 HZ2 LYS 9 1HZ LYS 9 14.788 -0.601 -8.561 75 HZ3 LYS 9 2HZ LYS 9 13.563 0.321 -9.276 76 H SER 10 H SER 10 11.524 1.339 -2.978 77 HA SER 10 HA SER 10 13.332 0.587 -0.803 78 HB2 SER 10 1HB SER 10 13.767 3.164 -0.882 79 HB3 SER 10 2HB SER 10 14.424 2.137 -2.155 80 HG SER 10 HG SER 10 12.647 4.154 -2.345 81 H LYS 11 H LYS 11 10.308 0.583 -0.727 82 HA LYS 11 HA LYS 11 9.970 1.393 1.924 83 HB2 LYS 11 1HB LYS 11 10.041 3.612 0.342 84 HB3 LYS 11 2HB LYS 11 8.317 3.262 0.356 85 HG2 LYS 11 1HG LYS 11 8.724 4.775 2.122 86 HG3 LYS 11 2HG LYS 11 8.454 3.195 2.863 87 HD2 LYS 11 1HD LYS 11 10.312 3.971 4.009 88 HD3 LYS 11 2HD LYS 11 11.040 2.981 2.739 89 HE2 LYS 11 1HE LYS 11 11.986 4.755 1.731 90 HE3 LYS 11 2HE LYS 11 10.580 5.784 2.001 91 HZ1 LYS 11 3HZ LYS 11 12.025 6.788 3.399 92 HZ2 LYS 11 1HZ LYS 11 12.943 5.391 3.664 93 HZ3 LYS 11 2HZ LYS 11 11.473 5.604 4.473 94 H ASN 12 H ASN 12 8.723 -0.329 2.343 95 HA ASN 12 HA ASN 12 6.655 -1.193 0.536 96 HB2 ASN 12 1HB ASN 12 7.956 -2.830 1.824 97 HB3 ASN 12 2HB ASN 12 7.344 -2.142 3.326 98 HD21 ASN 12 2HD2 ASN 12 6.224 -3.834 4.099 99 HD22 ASN 12 1HD2 ASN 12 4.873 -4.559 3.302 100 H GLU 13 H GLU 13 5.763 1.151 0.822 101 HA GLU 13 HA GLU 13 3.623 0.994 2.833 102 HB2 GLU 13 1HB GLU 13 3.855 3.244 3.453 103 HB3 GLU 13 2HB GLU 13 5.506 2.642 3.394 104 HG2 GLU 13 1HG GLU 13 5.719 3.605 1.119 105 HG3 GLU 13 2HG GLU 13 4.116 4.310 1.313 106 H CYS 14 H CYS 14 1.617 1.476 2.119 107 HA CYS 14 HA CYS 14 1.088 1.521 -0.640 108 HB2 CYS 14 1HB CYS 14 -1.169 1.547 -0.072 109 HB3 CYS 14 2HB CYS 14 -0.431 0.822 1.350 110 HG CYS 14 HG CYS 14 -2.192 2.399 2.559 111 H LYS 15 H LYS 15 0.334 3.152 -2.002 112 HA LYS 15 HA LYS 15 0.582 5.908 -1.017 113 HB2 LYS 15 1HB LYS 15 1.692 6.492 -3.200 114 HB3 LYS 15 2HB LYS 15 2.670 5.527 -2.102 115 HG2 LYS 15 1HG LYS 15 2.608 3.682 -3.441 116 HG3 LYS 15 2HG LYS 15 1.047 4.110 -4.148 117 HD2 LYS 15 1HD LYS 15 3.573 5.655 -4.691 118 HD3 LYS 15 2HD LYS 15 3.048 4.293 -5.683 119 HE2 LYS 15 1HE LYS 15 1.457 6.803 -5.159 120 HE3 LYS 15 2HE LYS 15 2.361 6.453 -6.632 121 HZ1 LYS 15 3HZ LYS 15 0.931 4.445 -6.880 122 HZ2 LYS 15 1HZ LYS 15 0.100 5.912 -7.024 123 HZ3 LYS 15 2HZ LYS 15 -0.015 5.012 -5.597 124 H TYR 16 H TYR 16 -1.788 5.618 -0.999 125 HA TYR 16 HA TYR 16 -2.936 5.967 -3.691 126 HB2 TYR 16 1HB TYR 16 -4.920 4.897 -2.997 127 HB3 TYR 16 2HB TYR 16 -3.624 3.904 -2.340 128 HD1 TYR 16 1HD TYR 16 -2.908 4.486 0.121 129 HD2 TYR 16 2HD TYR 16 -6.649 5.549 -1.603 130 HE1 TYR 16 1HE TYR 16 -3.874 4.707 2.371 131 HE2 TYR 16 2HE TYR 16 -7.626 5.774 0.643 132 HH TYR 16 HH TYR 16 -6.401 4.513 3.315 133 H LYS 17 H LYS 17 -5.383 6.938 -3.113 134 HA LYS 17 HA LYS 17 -4.860 9.414 -1.604 135 HB2 LYS 17 1HB LYS 17 -6.014 9.013 -4.328 136 HB3 LYS 17 2HB LYS 17 -6.625 10.339 -3.346 137 HG2 LYS 17 1HG LYS 17 -4.562 11.424 -3.310 138 HG3 LYS 17 2HG LYS 17 -3.688 9.971 -3.802 139 HD2 LYS 17 1HD LYS 17 -5.400 10.322 -5.895 140 HD3 LYS 17 2HD LYS 17 -5.062 11.990 -5.427 141 HE2 LYS 17 1HE LYS 17 -2.680 11.594 -5.624 142 HE3 LYS 17 2HE LYS 17 -2.967 9.893 -5.987 143 HZ1 LYS 17 3HZ LYS 17 -3.105 10.435 -8.113 144 HZ2 LYS 17 1HZ LYS 17 -2.917 12.077 -7.756 145 HZ3 LYS 17 2HZ LYS 17 -4.463 11.391 -7.792 146 H ASN 18 H ASN 18 -6.172 9.645 0.073 147 HA ASN 18 HA ASN 18 -8.792 8.303 0.005 148 HB2 ASN 18 1HB ASN 18 -8.642 7.898 2.285 149 HB3 ASN 18 2HB ASN 18 -6.961 7.732 1.786 150 HD21 ASN 18 2HD2 ASN 18 -5.683 9.805 1.899 151 HD22 ASN 18 1HD2 ASN 18 -5.934 10.793 3.293 152 H ASP 19 H ASP 19 -10.546 9.387 1.187 153 HA ASP 19 HA ASP 19 -11.863 11.178 1.705 154 HB2 ASP 19 1HB ASP 19 -9.684 11.911 2.911 155 HB3 ASP 19 2HB ASP 19 -9.485 13.010 1.549 156 H ALA 20 H ALA 20 -9.344 12.660 -0.335 157 HA ALA 20 HA ALA 20 -10.799 12.624 -2.729 158 HB1 ALA 20 1HB ALA 20 -12.401 14.073 -1.769 159 HB2 ALA 20 2HB ALA 20 -11.156 15.107 -1.068 160 HB3 ALA 20 3HB ALA 20 -11.395 15.077 -2.815 161 H GLY 21 H GLY 21 -8.134 12.224 -1.929 162 HA2 GLY 21 1HA GLY 21 -6.293 12.698 -3.454 163 HA3 GLY 21 2HA GLY 21 -6.807 14.379 -3.449 164 H LYS 22 H LYS 22 -6.944 12.821 -0.416 165 HA LYS 22 HA LYS 22 -4.867 14.530 0.614 166 HB2 LYS 22 1HB LYS 22 -6.886 12.670 1.774 167 HB3 LYS 22 2HB LYS 22 -5.473 13.058 2.745 168 HG2 LYS 22 1HG LYS 22 -7.387 14.511 3.235 169 HG3 LYS 22 2HG LYS 22 -5.993 15.412 2.635 170 HD2 LYS 22 1HD LYS 22 -6.990 15.541 0.428 171 HD3 LYS 22 2HD LYS 22 -8.353 14.553 0.960 172 HE2 LYS 22 1HE LYS 22 -9.333 16.557 1.288 173 HE3 LYS 22 2HE LYS 22 -8.436 16.517 2.805 174 HZ1 LYS 22 3HZ LYS 22 -8.242 18.609 1.437 175 HZ2 LYS 22 1HZ LYS 22 -7.317 17.715 0.340 176 HZ3 LYS 22 2HZ LYS 22 -6.783 17.911 1.932 177 H ASP 23 H ASP 23 -2.800 14.001 0.365 178 HA ASP 23 HA ASP 23 -1.767 11.528 -0.318 179 HB2 ASP 23 1HB ASP 23 -0.530 13.893 1.082 180 HB3 ASP 23 2HB ASP 23 0.408 12.454 0.688 181 H THR 24 H THR 24 -1.428 9.685 0.733 182 HA THR 24 HA THR 24 -1.005 9.675 3.612 183 HB THR 24 HB THR 24 -3.287 8.155 2.335 184 HG1 THR 24 1HG THR 24 -3.389 10.043 4.458 185 HG21 THR 24 3HG2 THR 24 -2.149 6.795 4.018 186 HG22 THR 24 1HG2 THR 24 -3.734 7.310 4.595 187 HG23 THR 24 2HG2 THR 24 -2.278 8.113 5.182 188 H PHE 25 H PHE 25 0.477 8.207 4.159 189 HA PHE 25 HA PHE 25 0.876 5.871 2.426 190 HB2 PHE 25 1HB PHE 25 3.092 7.656 3.456 191 HB3 PHE 25 2HB PHE 25 3.316 6.160 2.555 192 HD1 PHE 25 2HD PHE 25 1.828 9.551 2.311 193 HD2 PHE 25 1HD PHE 25 3.386 6.179 0.232 194 HE1 PHE 25 2HE PHE 25 1.736 10.813 0.202 195 HE2 PHE 25 1HE PHE 25 3.297 7.437 -1.880 196 HZ PHE 25 HZ PHE 25 2.471 9.756 -1.898 197 H ILE 26 H ILE 26 0.901 4.046 3.552 198 HA ILE 26 HA ILE 26 1.899 4.074 6.312 199 HB ILE 26 HB ILE 26 -0.452 4.205 6.646 200 HG12 ILE 26 1HG1 ILE 26 -0.939 2.090 7.760 201 HG13 ILE 26 2HG1 ILE 26 0.322 1.285 6.832 202 HG21 ILE 26 1HG2 ILE 26 -1.315 3.707 4.498 203 HG22 ILE 26 2HG2 ILE 26 -0.648 2.076 4.532 204 HG23 ILE 26 3HG2 ILE 26 -1.987 2.503 5.598 205 HD11 ILE 26 3HD1 ILE 26 0.558 2.475 9.335 206 HD12 ILE 26 1HD1 ILE 26 1.858 1.863 8.312 207 HD13 ILE 26 2HD1 ILE 26 1.388 3.562 8.222 208 H LYS 27 H LYS 27 3.252 2.451 6.719 209 HA LYS 27 HA LYS 27 4.060 0.637 4.735 210 HB2 LYS 27 1HB LYS 27 4.562 0.849 7.687 211 HB3 LYS 27 2HB LYS 27 5.153 -0.540 6.786 212 HG2 LYS 27 1HG LYS 27 6.728 0.667 5.683 213 HG3 LYS 27 2HG LYS 27 5.765 2.146 5.698 214 HD2 LYS 27 1HD LYS 27 6.575 2.808 7.707 215 HD3 LYS 27 2HD LYS 27 6.671 1.159 8.330 216 HE2 LYS 27 1HE LYS 27 8.604 0.941 6.574 217 HE3 LYS 27 2HE LYS 27 8.643 2.700 6.702 218 HZ1 LYS 27 3HZ LYS 27 8.843 0.860 9.023 219 HZ2 LYS 27 1HZ LYS 27 9.056 2.537 9.033 220 HZ3 LYS 27 2HZ LYS 27 10.176 1.549 8.241 221 H CYS 28 H CYS 28 3.508 -1.423 4.264 222 HA CYS 28 HA CYS 28 1.089 -2.460 5.493 223 HB2 CYS 28 1HB CYS 28 2.653 -3.731 3.249 224 HB3 CYS 28 2HB CYS 28 0.954 -3.952 3.648 225 HG CYS 28 HG CYS 28 2.245 -1.001 2.498 226 HA PRO 29 HA PRO 29 3.108 -5.339 8.135 227 HB2 PRO 29 1HB PRO 29 1.124 -7.175 8.382 228 HB3 PRO 29 2HB PRO 29 1.071 -5.593 9.168 229 HG2 PRO 29 1HG PRO 29 -0.247 -6.496 6.636 230 HG3 PRO 29 2HG PRO 29 -0.909 -5.508 7.951 231 HD2 PRO 29 1HD PRO 29 -0.010 -4.436 5.633 232 HD3 PRO 29 2HD PRO 29 0.108 -3.586 7.188 233 H LYS 30 H LYS 30 4.379 -5.708 5.925 234 HA LYS 30 HA LYS 30 4.360 -8.598 5.519 235 HB2 LYS 30 1HB LYS 30 4.448 -6.678 3.188 236 HB3 LYS 30 2HB LYS 30 4.445 -8.435 3.113 237 HG2 LYS 30 1HG LYS 30 2.175 -6.816 4.242 238 HG3 LYS 30 2HG LYS 30 2.268 -7.342 2.560 239 HD2 LYS 30 1HD LYS 30 2.070 -9.598 3.132 240 HD3 LYS 30 2HD LYS 30 2.524 -9.306 4.813 241 HE2 LYS 30 1HE LYS 30 0.289 -9.512 5.120 242 HE3 LYS 30 2HE LYS 30 0.321 -7.799 4.702 243 HZ1 LYS 30 3HZ LYS 30 -0.777 -8.173 2.814 244 HZ2 LYS 30 1HZ LYS 30 -1.169 -9.687 3.462 245 HZ3 LYS 30 2HZ LYS 30 0.150 -9.531 2.415 246 H PHE 31 H PHE 31 6.165 -7.473 7.087 247 HA PHE 31 HA PHE 31 8.542 -6.887 5.478 248 HB2 PHE 31 1HB PHE 31 9.559 -6.310 7.715 249 HB3 PHE 31 2HB PHE 31 8.204 -5.296 7.228 250 HD1 PHE 31 1HD PHE 31 6.079 -5.418 8.379 251 HD2 PHE 31 2HD PHE 31 9.366 -7.849 9.563 252 HE1 PHE 31 1HE PHE 31 4.937 -5.922 10.499 253 HE2 PHE 31 2HE PHE 31 8.229 -8.358 11.686 254 HZ PHE 31 HZ PHE 31 6.012 -7.395 12.156 255 H ASP 32 H ASP 32 7.592 -9.523 5.394 256 HA ASP 32 HA ASP 32 9.887 -11.006 5.817 257 HB2 ASP 32 1HB ASP 32 8.471 -10.573 8.252 258 HB3 ASP 32 2HB ASP 32 8.306 -12.273 7.823 259 H ASN 33 H ASN 33 6.440 -10.857 5.513 260 HA ASN 33 HA ASN 33 6.358 -13.577 4.413 261 HB2 ASN 33 1HB ASN 33 3.991 -11.794 4.988 262 HB3 ASN 33 2HB ASN 33 3.994 -13.537 4.735 263 HD21 ASN 33 2HD2 ASN 33 2.890 -12.137 6.954 264 HD22 ASN 33 1HD2 ASN 33 3.737 -12.661 8.367 265 H LYS 34 H LYS 34 6.408 -10.304 3.502 266 HA LYS 34 HA LYS 34 6.471 -10.863 0.750 267 HB2 LYS 34 1HB LYS 34 3.945 -11.098 1.454 268 HB3 LYS 34 2HB LYS 34 3.980 -9.340 1.398 269 HG2 LYS 34 1HG LYS 34 3.534 -9.521 -0.766 270 HG3 LYS 34 2HG LYS 34 5.189 -10.096 -0.969 271 HD2 LYS 34 1HD LYS 34 4.457 -12.392 -0.726 272 HD3 LYS 34 2HD LYS 34 2.807 -11.858 -0.397 273 HE2 LYS 34 1HE LYS 34 2.408 -11.298 -2.585 274 HE3 LYS 34 2HE LYS 34 4.108 -10.979 -2.925 275 HZ1 LYS 34 3HZ LYS 34 4.483 -13.411 -2.767 276 HZ2 LYS 34 1HZ LYS 34 3.476 -12.962 -4.050 277 HZ3 LYS 34 2HZ LYS 34 2.810 -13.631 -2.647 278 H LYS 35 H LYS 35 8.335 -9.540 1.615 279 HA LYS 35 HA LYS 35 7.865 -6.750 2.114 280 HB2 LYS 35 1HB LYS 35 10.439 -8.227 1.533 281 HB3 LYS 35 2HB LYS 35 10.323 -6.569 2.106 282 HG2 LYS 35 1HG LYS 35 10.170 -7.234 4.213 283 HG3 LYS 35 2HG LYS 35 8.851 -8.343 3.829 284 HD2 LYS 35 1HD LYS 35 10.754 -9.540 4.777 285 HD3 LYS 35 2HD LYS 35 10.474 -10.024 3.102 286 HE2 LYS 35 1HE LYS 35 12.268 -7.791 3.178 287 HE3 LYS 35 2HE LYS 35 12.854 -9.057 4.256 288 HZ1 LYS 35 3HZ LYS 35 13.736 -9.846 2.359 289 HZ2 LYS 35 1HZ LYS 35 12.629 -9.045 1.363 290 HZ3 LYS 35 2HZ LYS 35 12.192 -10.493 2.118 291 H CYS 36 H CYS 36 7.102 -5.555 0.479 292 HA CYS 36 HA CYS 36 7.362 -6.007 -2.231 293 HB2 CYS 36 1HB CYS 36 6.703 -3.656 -0.551 294 HB3 CYS 36 2HB CYS 36 7.175 -3.316 -2.212 295 HG CYS 36 HG CYS 36 4.800 -5.676 -1.686 296 H THR 37 H THR 37 8.905 -5.711 -3.718 297 HA THR 37 HA THR 37 11.216 -4.027 -3.069 298 HB THR 37 HB THR 37 12.821 -5.668 -3.709 299 HG1 THR 37 1HG THR 37 10.554 -7.077 -4.621 300 HG21 THR 37 3HG2 THR 37 11.324 -5.913 -1.450 301 HG22 THR 37 1HG2 THR 37 12.764 -6.869 -1.800 302 HG23 THR 37 2HG2 THR 37 11.164 -7.525 -2.145 303 H LYS 38 H LYS 38 9.070 -3.424 -4.777 304 HA LYS 38 HA LYS 38 10.521 -3.126 -7.290 305 HB2 LYS 38 1HB LYS 38 8.191 -4.836 -6.929 306 HB3 LYS 38 2HB LYS 38 7.926 -3.605 -8.156 307 HG2 LYS 38 1HG LYS 38 9.400 -4.522 -9.592 308 HG3 LYS 38 2HG LYS 38 10.491 -5.048 -8.308 309 HD2 LYS 38 1HD LYS 38 9.603 -7.019 -9.280 310 HD3 LYS 38 2HD LYS 38 8.773 -6.809 -7.736 311 HE2 LYS 38 1HE LYS 38 6.814 -6.813 -8.781 312 HE3 LYS 38 2HE LYS 38 7.307 -5.413 -9.731 313 HZ1 LYS 38 3HZ LYS 38 6.691 -7.230 -11.170 314 HZ2 LYS 38 1HZ LYS 38 7.806 -8.258 -10.421 315 HZ3 LYS 38 2HZ LYS 38 8.349 -6.932 -11.319 316 H ASP 39 H ASP 39 9.729 -1.405 -8.618 317 HA ASP 39 HA ASP 39 8.545 0.726 -7.048 318 HB2 ASP 39 1HB ASP 39 8.963 1.996 -9.290 319 HB3 ASP 39 2HB ASP 39 10.335 1.540 -8.286 320 H ASN 40 H ASN 40 6.419 0.965 -6.953 321 HA ASN 40 HA ASN 40 4.229 1.118 -7.553 322 HB2 ASN 40 1HB ASN 40 5.680 1.589 -10.064 323 HB3 ASN 40 2HB ASN 40 4.039 0.990 -10.288 324 HD21 ASN 40 2HD2 ASN 40 5.551 3.190 -7.949 325 HD22 ASN 40 1HD2 ASN 40 4.456 4.499 -8.218 326 H ASN 41 H ASN 41 5.556 -1.461 -7.153 327 HA ASN 41 HA ASN 41 4.836 -3.451 -8.918 328 HB2 ASN 41 1HB ASN 41 4.523 -4.803 -6.650 329 HB3 ASN 41 2HB ASN 41 6.113 -4.286 -7.204 330 HD21 ASN 41 2HD2 ASN 41 7.060 -4.116 -5.233 331 HD22 ASN 41 1HD2 ASN 41 6.595 -2.953 -4.043 332 H LYS 42 H LYS 42 3.011 -3.048 -5.902 333 HA LYS 42 HA LYS 42 0.509 -2.514 -7.014 334 HB2 LYS 42 1HB LYS 42 0.551 -4.625 -8.114 335 HB3 LYS 42 2HB LYS 42 1.140 -5.443 -6.673 336 HG2 LYS 42 1HG LYS 42 -0.932 -5.407 -5.647 337 HG3 LYS 42 2HG LYS 42 -1.518 -4.078 -6.648 338 HD2 LYS 42 1HD LYS 42 -2.613 -5.772 -7.690 339 HD3 LYS 42 2HD LYS 42 -1.085 -5.890 -8.565 340 HE2 LYS 42 1HE LYS 42 -0.688 -7.923 -7.747 341 HE3 LYS 42 2HE LYS 42 -0.997 -7.388 -6.097 342 HZ1 LYS 42 3HZ LYS 42 -2.591 -9.024 -7.672 343 HZ2 LYS 42 1HZ LYS 42 -3.432 -7.566 -7.506 344 HZ3 LYS 42 2HZ LYS 42 -2.939 -8.420 -6.132 345 H CYS 43 H CYS 43 -1.128 -2.386 -5.453 346 HA CYS 43 HA CYS 43 -0.773 -3.426 -2.809 347 HB2 CYS 43 1HB CYS 43 0.652 -1.172 -3.186 348 HB3 CYS 43 2HB CYS 43 -0.899 -0.463 -2.752 349 HG CYS 43 HG CYS 43 -0.707 -2.570 -0.478 350 H THR 44 H THR 44 -2.500 -2.425 -1.302 351 HA THR 44 HA THR 44 -4.823 -1.327 -2.601 352 HB THR 44 HB THR 44 -5.899 -3.612 -1.334 353 HG1 THR 44 1HG THR 44 -4.168 -4.491 -3.375 354 HG21 THR 44 3HG2 THR 44 -6.169 -4.076 -4.017 355 HG22 THR 44 1HG2 THR 44 -5.875 -2.339 -3.973 356 HG23 THR 44 2HG2 THR 44 -7.217 -3.029 -3.060 357 H VAL 45 H VAL 45 -6.513 -0.771 -1.108 358 HA VAL 45 HA VAL 45 -5.998 -1.131 1.727 359 HB VAL 45 HB VAL 45 -6.013 1.601 0.444 360 HG11 VAL 45 1HG1 VAL 45 -7.385 1.793 2.369 361 HG12 VAL 45 2HG1 VAL 45 -6.291 0.798 3.332 362 HG13 VAL 45 3HG1 VAL 45 -5.797 2.412 2.821 363 HG21 VAL 45 3HG2 VAL 45 -3.840 1.844 1.552 364 HG22 VAL 45 1HG2 VAL 45 -3.971 0.195 2.162 365 HG23 VAL 45 2HG2 VAL 45 -3.845 0.486 0.427 366 H ASP 46 H ASP 46 -7.924 -1.988 2.234 367 HA ASP 46 HA ASP 46 -10.370 -0.909 1.092 368 HB2 ASP 46 1HB ASP 46 -10.302 -3.064 3.177 369 HB3 ASP 46 2HB ASP 46 -11.443 -2.832 1.856 370 H THR 47 H THR 47 -11.488 0.657 2.028 371 HA THR 47 HA THR 47 -10.808 1.657 4.615 372 HB THR 47 HB THR 47 -13.075 2.978 4.130 373 HG1 THR 47 1HG THR 47 -13.263 1.496 2.171 374 HG21 THR 47 3HG2 THR 47 -11.676 4.556 2.703 375 HG22 THR 47 1HG2 THR 47 -10.379 3.370 2.849 376 HG23 THR 47 2HG2 THR 47 -11.028 4.148 4.291 377 H TYR 48 H TYR 48 -12.888 -0.789 3.532 378 HA TYR 48 HA TYR 48 -15.074 -0.685 5.200 379 HB2 TYR 48 1HB TYR 48 -15.028 -2.398 3.571 380 HB3 TYR 48 2HB TYR 48 -13.489 -3.024 4.153 381 HD1 TYR 48 2HD TYR 48 -16.505 -2.154 6.146 382 HD2 TYR 48 1HD TYR 48 -13.994 -5.253 4.665 383 HE1 TYR 48 2HE TYR 48 -17.702 -3.785 7.545 384 HE2 TYR 48 1HE TYR 48 -15.186 -6.894 6.058 385 HH TYR 48 HH TYR 48 -17.014 -6.169 8.592 386 H ASN 49 H ASN 49 -11.894 -2.117 5.900 387 HA ASN 49 HA ASN 49 -12.274 -1.568 8.724 388 HB2 ASN 49 1HB ASN 49 -13.084 -4.011 7.919 389 HB3 ASN 49 2HB ASN 49 -11.375 -4.343 8.185 390 HD21 ASN 49 2HD2 ASN 49 -10.537 -4.244 10.250 391 HD22 ASN 49 1HD2 ASN 49 -11.539 -4.184 11.657 392 H ASN 50 H ASN 50 -10.523 -0.470 6.809 393 HA ASN 50 HA ASN 50 -8.325 -0.025 6.392 394 HB2 ASN 50 1HB ASN 50 -8.723 0.346 8.983 395 HB3 ASN 50 2HB ASN 50 -7.609 -1.013 9.120 396 HD21 ASN 50 2HD2 ASN 50 -7.786 1.772 6.930 397 HD22 ASN 50 1HD2 ASN 50 -6.186 2.339 7.248 398 H ALA 51 H ALA 51 -8.720 -2.195 5.095 399 HA ALA 51 HA ALA 51 -6.786 -4.219 5.990 400 HB1 ALA 51 1HB ALA 51 -7.919 -5.451 3.941 401 HB2 ALA 51 2HB ALA 51 -8.665 -5.429 5.540 402 HB3 ALA 51 3HB ALA 51 -9.221 -4.313 4.293 403 H VAL 52 H VAL 52 -4.807 -3.723 5.265 404 HA VAL 52 HA VAL 52 -4.501 -2.676 2.542 405 HB VAL 52 HB VAL 52 -2.336 -2.923 4.626 406 HG11 VAL 52 1HG1 VAL 52 -1.520 -2.628 2.374 407 HG12 VAL 52 2HG1 VAL 52 -2.607 -1.261 2.123 408 HG13 VAL 52 3HG1 VAL 52 -1.283 -1.135 3.281 409 HG21 VAL 52 3HG2 VAL 52 -4.448 -0.850 4.274 410 HG22 VAL 52 1HG2 VAL 52 -3.746 -1.505 5.752 411 HG23 VAL 52 2HG2 VAL 52 -2.835 -0.350 4.781 412 H ASP 53 H ASP 53 -3.313 -3.710 0.987 413 HA ASP 53 HA ASP 53 -2.393 -6.432 1.645 414 HB2 ASP 53 1HB ASP 53 -4.332 -5.603 -0.249 415 HB3 ASP 53 2HB ASP 53 -2.925 -6.148 -1.158 416 H CYS 54 H CYS 54 -1.059 -7.105 -0.600 417 HA CYS 54 HA CYS 54 0.781 -5.021 -1.375 418 HB2 CYS 54 1HB CYS 54 1.436 -6.952 0.739 419 HB3 CYS 54 2HB CYS 54 2.626 -6.879 -0.554 420 HG CYS 54 HG CYS 54 2.154 -3.812 -0.016 421 H ASP 55 H ASP 55 2.401 -5.813 -2.943 422 HA ASP 55 HA ASP 55 1.171 -7.548 -4.842 423 HB2 ASP 55 1HB ASP 55 2.668 -5.558 -5.354 424 HB3 ASP 55 2HB ASP 55 4.029 -6.582 -4.903 Start of MODEL 16 1 H1 ALA 1 H ALA 1 -15.932 1.654 1.110 2 HA ALA 1 HA ALA 1 -15.563 2.811 -1.497 3 HB1 ALA 1 1HB ALA 1 -15.392 4.507 0.803 4 HB2 ALA 1 2HB ALA 1 -13.805 4.371 0.044 5 HB3 ALA 1 3HB ALA 1 -15.190 4.914 -0.901 6 H LYS 2 H LYS 2 -13.211 2.878 -2.088 7 HA LYS 2 HA LYS 2 -11.479 1.186 -0.476 8 HB2 LYS 2 1HB LYS 2 -12.433 0.448 -3.241 9 HB3 LYS 2 2HB LYS 2 -10.964 -0.218 -2.539 10 HG2 LYS 2 1HG LYS 2 -12.313 -1.847 -1.818 11 HG3 LYS 2 2HG LYS 2 -12.752 -0.694 -0.555 12 HD2 LYS 2 1HD LYS 2 -14.679 0.020 -1.806 13 HD3 LYS 2 2HD LYS 2 -14.196 -0.961 -3.191 14 HE2 LYS 2 1HE LYS 2 -14.594 -2.291 -0.555 15 HE3 LYS 2 2HE LYS 2 -16.014 -1.805 -1.481 16 HZ1 LYS 2 3HZ LYS 2 -13.958 -3.236 -2.954 17 HZ2 LYS 2 1HZ LYS 2 -15.643 -3.367 -3.038 18 HZ3 LYS 2 2HZ LYS 2 -14.796 -4.140 -1.794 19 H TYR 3 H TYR 3 -9.287 0.939 -1.639 20 HA TYR 3 HA TYR 3 -8.654 3.244 -3.319 21 HB2 TYR 3 1HB TYR 3 -6.988 2.644 -0.881 22 HB3 TYR 3 2HB TYR 3 -6.931 4.067 -1.916 23 HD1 TYR 3 2HD TYR 3 -9.107 5.514 -1.970 24 HD2 TYR 3 1HD TYR 3 -8.171 2.734 1.112 25 HE1 TYR 3 2HE TYR 3 -10.651 6.684 -0.455 26 HE2 TYR 3 1HE TYR 3 -9.714 3.896 2.636 27 HH TYR 3 HH TYR 3 -10.648 6.373 2.773 28 H THR 4 H THR 4 -6.517 3.101 -4.306 29 HA THR 4 HA THR 4 -5.268 0.460 -4.248 30 HB THR 4 HB THR 4 -6.965 0.398 -6.069 31 HG1 THR 4 1HG THR 4 -5.160 -0.900 -6.335 32 HG21 THR 4 3HG2 THR 4 -6.330 2.961 -6.565 33 HG22 THR 4 1HG2 THR 4 -7.061 1.900 -7.769 34 HG23 THR 4 2HG2 THR 4 -5.318 2.169 -7.772 35 H GLY 5 H GLY 5 -3.096 0.480 -4.658 36 HA2 GLY 5 1HA GLY 5 -1.813 2.729 -5.922 37 HA3 GLY 5 2HA GLY 5 -1.553 2.669 -4.185 38 H LYS 6 H LYS 6 0.722 2.481 -4.846 39 HA LYS 6 HA LYS 6 1.462 -0.330 -5.034 40 HB2 LYS 6 1HB LYS 6 2.560 1.765 -6.919 41 HB3 LYS 6 2HB LYS 6 3.132 0.106 -6.793 42 HG2 LYS 6 1HG LYS 6 1.748 -0.091 -8.587 43 HG3 LYS 6 2HG LYS 6 0.605 -0.445 -7.289 44 HD2 LYS 6 1HD LYS 6 -0.653 1.149 -8.251 45 HD3 LYS 6 2HD LYS 6 0.441 2.272 -7.439 46 HE2 LYS 6 1HE LYS 6 1.895 1.997 -9.569 47 HE3 LYS 6 2HE LYS 6 0.411 1.388 -10.300 48 HZ1 LYS 6 3HZ LYS 6 0.859 3.841 -10.548 49 HZ2 LYS 6 1HZ LYS 6 0.529 3.991 -8.895 50 HZ3 LYS 6 2HZ LYS 6 -0.668 3.427 -9.950 51 H CYS 7 H CYS 7 3.651 -0.751 -4.369 52 HA CYS 7 HA CYS 7 4.744 1.401 -2.682 53 HB2 CYS 7 1HB CYS 7 5.080 -1.578 -2.294 54 HB3 CYS 7 2HB CYS 7 5.599 -0.308 -1.194 55 HG CYS 7 HG CYS 7 2.642 0.464 -1.197 56 H THR 8 H THR 8 7.039 1.559 -2.484 57 HA THR 8 HA THR 8 8.421 0.702 -4.925 58 HB THR 8 HB THR 8 8.393 3.134 -4.367 59 HG1 THR 8 1HG THR 8 10.107 2.800 -5.599 60 HG21 THR 8 3HG2 THR 8 10.370 2.525 -2.194 61 HG22 THR 8 1HG2 THR 8 8.645 2.620 -1.846 62 HG23 THR 8 2HG2 THR 8 9.489 4.020 -2.507 63 H LYS 9 H LYS 9 10.763 0.169 -4.693 64 HA LYS 9 HA LYS 9 11.100 -1.978 -2.880 65 HB2 LYS 9 1HB LYS 9 13.341 -0.596 -4.343 66 HB3 LYS 9 2HB LYS 9 13.236 -2.284 -3.859 67 HG2 LYS 9 1HG LYS 9 11.238 -2.412 -5.461 68 HG3 LYS 9 2HG LYS 9 11.841 -0.885 -6.109 69 HD2 LYS 9 1HD LYS 9 12.743 -2.664 -7.433 70 HD3 LYS 9 2HD LYS 9 14.051 -1.990 -6.458 71 HE2 LYS 9 1HE LYS 9 14.320 -3.890 -5.279 72 HE3 LYS 9 2HE LYS 9 12.588 -4.212 -5.211 73 HZ1 LYS 9 3HZ LYS 9 13.273 -5.892 -6.565 74 HZ2 LYS 9 1HZ LYS 9 14.547 -5.006 -7.237 75 HZ3 LYS 9 2HZ LYS 9 12.959 -4.716 -7.739 76 H SER 10 H SER 10 11.868 1.400 -2.733 77 HA SER 10 HA SER 10 13.512 1.003 -0.339 78 HB2 SER 10 1HB SER 10 14.025 3.435 -0.584 79 HB3 SER 10 2HB SER 10 14.489 2.480 -1.992 80 HG SER 10 HG SER 10 13.041 3.485 -3.160 81 H LYS 11 H LYS 11 10.489 0.791 -0.608 82 HA LYS 11 HA LYS 11 9.799 1.769 1.913 83 HB2 LYS 11 1HB LYS 11 9.773 3.789 -0.084 84 HB3 LYS 11 2HB LYS 11 8.099 3.429 0.318 85 HG2 LYS 11 1HG LYS 11 10.116 3.920 2.473 86 HG3 LYS 11 2HG LYS 11 9.331 5.262 1.636 87 HD2 LYS 11 1HD LYS 11 7.553 5.033 2.949 88 HD3 LYS 11 2HD LYS 11 7.321 3.391 2.348 89 HE2 LYS 11 1HE LYS 11 7.495 3.304 4.736 90 HE3 LYS 11 2HE LYS 11 8.960 2.603 4.046 91 HZ1 LYS 11 3HZ LYS 11 9.559 5.246 4.342 92 HZ2 LYS 11 1HZ LYS 11 10.050 3.995 5.371 93 HZ3 LYS 11 2HZ LYS 11 8.663 4.892 5.732 94 H ASN 12 H ASN 12 8.426 0.209 2.443 95 HA ASN 12 HA ASN 12 6.612 -0.878 0.432 96 HB2 ASN 12 1HB ASN 12 7.951 -2.449 1.783 97 HB3 ASN 12 2HB ASN 12 7.191 -1.829 3.246 98 HD21 ASN 12 2HD2 ASN 12 5.815 -3.257 3.997 99 HD22 ASN 12 1HD2 ASN 12 4.695 -4.185 3.063 100 H GLU 13 H GLU 13 5.602 1.424 0.708 101 HA GLU 13 HA GLU 13 3.408 1.157 2.652 102 HB2 GLU 13 1HB GLU 13 3.440 3.492 3.114 103 HB3 GLU 13 2HB GLU 13 5.091 2.917 3.291 104 HG2 GLU 13 1HG GLU 13 5.619 3.770 1.056 105 HG3 GLU 13 2HG GLU 13 3.970 4.372 0.907 106 H CYS 14 H CYS 14 1.374 1.716 1.950 107 HA CYS 14 HA CYS 14 1.000 1.748 -0.908 108 HB2 CYS 14 1HB CYS 14 -0.443 0.454 0.717 109 HB3 CYS 14 2HB CYS 14 -1.123 1.994 1.227 110 HG CYS 14 HG CYS 14 -1.273 1.715 -2.059 111 H LYS 15 H LYS 15 1.242 3.590 -1.985 112 HA LYS 15 HA LYS 15 0.633 6.137 -0.718 113 HB2 LYS 15 1HB LYS 15 1.557 7.096 -2.839 114 HB3 LYS 15 2HB LYS 15 2.683 6.074 -1.955 115 HG2 LYS 15 1HG LYS 15 2.824 4.580 -3.613 116 HG3 LYS 15 2HG LYS 15 1.095 4.654 -3.962 117 HD2 LYS 15 1HD LYS 15 1.844 7.086 -4.833 118 HD3 LYS 15 2HD LYS 15 3.337 6.189 -5.122 119 HE2 LYS 15 1HE LYS 15 1.198 4.566 -6.004 120 HE3 LYS 15 2HE LYS 15 0.913 6.188 -6.634 121 HZ1 LYS 15 3HZ LYS 15 3.575 5.760 -7.055 122 HZ2 LYS 15 1HZ LYS 15 2.354 5.649 -8.220 123 HZ3 LYS 15 2HZ LYS 15 2.876 4.261 -7.408 124 H TYR 16 H TYR 16 -1.703 5.381 -0.665 125 HA TYR 16 HA TYR 16 -3.055 5.860 -3.230 126 HB2 TYR 16 1HB TYR 16 -4.942 4.708 -2.353 127 HB3 TYR 16 2HB TYR 16 -3.534 3.752 -1.906 128 HD1 TYR 16 1HD TYR 16 -2.789 3.650 0.423 129 HD2 TYR 16 2HD TYR 16 -6.270 5.832 -0.679 130 HE1 TYR 16 1HE TYR 16 -3.480 3.726 2.782 131 HE2 TYR 16 2HE TYR 16 -6.971 5.916 1.676 132 HH TYR 16 HH TYR 16 -5.749 5.786 3.966 133 H LYS 17 H LYS 17 -5.373 6.849 -2.781 134 HA LYS 17 HA LYS 17 -4.998 9.222 -1.074 135 HB2 LYS 17 1HB LYS 17 -6.003 8.971 -3.880 136 HB3 LYS 17 2HB LYS 17 -6.649 10.247 -2.857 137 HG2 LYS 17 1HG LYS 17 -4.692 11.405 -2.820 138 HG3 LYS 17 2HG LYS 17 -3.702 9.954 -2.996 139 HD2 LYS 17 1HD LYS 17 -4.443 9.785 -5.352 140 HD3 LYS 17 2HD LYS 17 -5.327 11.299 -5.154 141 HE2 LYS 17 1HE LYS 17 -3.479 12.426 -5.647 142 HE3 LYS 17 2HE LYS 17 -2.692 11.736 -4.229 143 HZ1 LYS 17 3HZ LYS 17 -2.687 9.794 -6.228 144 HZ2 LYS 17 1HZ LYS 17 -1.362 10.619 -5.577 145 HZ3 LYS 17 2HZ LYS 17 -2.155 11.235 -6.937 146 H ASN 18 H ASN 18 -6.681 9.848 0.201 147 HA ASN 18 HA ASN 18 -9.140 8.231 0.051 148 HB2 ASN 18 1HB ASN 18 -9.191 7.931 2.352 149 HB3 ASN 18 2HB ASN 18 -7.465 7.828 2.020 150 HD21 ASN 18 2HD2 ASN 18 -6.367 10.059 2.061 151 HD22 ASN 18 1HD2 ASN 18 -6.767 11.055 3.415 152 H ASP 19 H ASP 19 -10.976 9.309 1.302 153 HA ASP 19 HA ASP 19 -12.379 11.073 1.661 154 HB2 ASP 19 1HB ASP 19 -10.205 12.070 2.673 155 HB3 ASP 19 2HB ASP 19 -10.130 13.007 1.183 156 H ALA 20 H ALA 20 -10.029 12.428 -0.652 157 HA ALA 20 HA ALA 20 -11.612 12.033 -2.943 158 HB1 ALA 20 1HB ALA 20 -13.172 13.586 -2.040 159 HB2 ALA 20 2HB ALA 20 -11.891 14.728 -1.630 160 HB3 ALA 20 3HB ALA 20 -12.288 14.418 -3.320 161 H GLY 21 H GLY 21 -8.911 11.739 -2.297 162 HA2 GLY 21 1HA GLY 21 -7.196 12.058 -4.017 163 HA3 GLY 21 2HA GLY 21 -7.696 13.741 -4.100 164 H LYS 22 H LYS 22 -7.655 12.506 -0.943 165 HA LYS 22 HA LYS 22 -5.440 14.207 -0.241 166 HB2 LYS 22 1HB LYS 22 -7.692 13.147 1.088 167 HB3 LYS 22 2HB LYS 22 -6.282 12.499 1.916 168 HG2 LYS 22 1HG LYS 22 -6.791 15.418 1.382 169 HG3 LYS 22 2HG LYS 22 -7.081 14.590 2.914 170 HD2 LYS 22 1HD LYS 22 -4.957 14.877 3.499 171 HD3 LYS 22 2HD LYS 22 -4.420 14.029 2.047 172 HE2 LYS 22 1HE LYS 22 -3.501 16.322 2.246 173 HE3 LYS 22 2HE LYS 22 -4.449 16.073 0.781 174 HZ1 LYS 22 3HZ LYS 22 -5.748 17.174 3.178 175 HZ2 LYS 22 1HZ LYS 22 -6.150 17.388 1.550 176 HZ3 LYS 22 2HZ LYS 22 -4.811 18.188 2.202 177 H ASP 23 H ASP 23 -3.412 13.561 -0.505 178 HA ASP 23 HA ASP 23 -2.518 10.999 -1.016 179 HB2 ASP 23 1HB ASP 23 -0.968 13.205 0.357 180 HB3 ASP 23 2HB ASP 23 -0.275 11.814 -0.472 181 H THR 24 H THR 24 -2.116 9.236 0.161 182 HA THR 24 HA THR 24 -1.846 9.482 3.070 183 HB THR 24 HB THR 24 -3.740 7.561 1.702 184 HG1 THR 24 1HG THR 24 -4.137 9.814 3.397 185 HG21 THR 24 3HG2 THR 24 -2.416 7.471 4.282 186 HG22 THR 24 1HG2 THR 24 -3.384 6.241 3.470 187 HG23 THR 24 2HG2 THR 24 -4.172 7.483 4.443 188 H PHE 25 H PHE 25 -0.254 8.263 3.872 189 HA PHE 25 HA PHE 25 0.706 5.981 2.283 190 HB2 PHE 25 1HB PHE 25 2.473 7.989 3.696 191 HB3 PHE 25 2HB PHE 25 3.016 6.590 2.775 192 HD1 PHE 25 2HD PHE 25 1.328 9.864 2.511 193 HD2 PHE 25 1HD PHE 25 3.263 6.690 0.439 194 HE1 PHE 25 2HE PHE 25 1.392 11.239 0.472 195 HE2 PHE 25 1HE PHE 25 3.333 8.061 -1.604 196 HZ PHE 25 HZ PHE 25 2.394 10.338 -1.589 197 H ILE 26 H ILE 26 1.072 4.160 3.405 198 HA ILE 26 HA ILE 26 1.641 4.211 6.235 199 HB ILE 26 HB ILE 26 -0.765 4.376 6.344 200 HG12 ILE 26 1HG1 ILE 26 0.075 1.520 6.882 201 HG13 ILE 26 2HG1 ILE 26 0.413 2.880 7.947 202 HG21 ILE 26 1HG2 ILE 26 -1.560 1.873 5.212 203 HG22 ILE 26 2HG2 ILE 26 -2.103 3.501 4.807 204 HG23 ILE 26 3HG2 ILE 26 -0.689 2.817 4.003 205 HD11 ILE 26 3HD1 ILE 26 -1.522 1.483 8.630 206 HD12 ILE 26 1HD1 ILE 26 -1.906 3.188 8.398 207 HD13 ILE 26 2HD1 ILE 26 -2.355 2.008 7.167 208 H LYS 27 H LYS 27 3.125 2.704 6.555 209 HA LYS 27 HA LYS 27 3.906 0.815 4.653 210 HB2 LYS 27 1HB LYS 27 4.657 1.546 7.354 211 HB3 LYS 27 2HB LYS 27 4.737 -0.196 7.126 212 HG2 LYS 27 1HG LYS 27 5.922 1.310 4.930 213 HG3 LYS 27 2HG LYS 27 6.703 1.595 6.487 214 HD2 LYS 27 1HD LYS 27 6.570 -1.028 6.660 215 HD3 LYS 27 2HD LYS 27 6.478 -0.919 4.900 216 HE2 LYS 27 1HE LYS 27 8.547 0.452 4.934 217 HE3 LYS 27 2HE LYS 27 8.655 0.183 6.673 218 HZ1 LYS 27 3HZ LYS 27 9.322 -1.940 6.395 219 HZ2 LYS 27 1HZ LYS 27 9.868 -1.358 4.904 220 HZ3 LYS 27 2HZ LYS 27 8.397 -2.187 5.001 221 H CYS 28 H CYS 28 3.213 -1.165 4.144 222 HA CYS 28 HA CYS 28 0.881 -2.222 5.470 223 HB2 CYS 28 1HB CYS 28 2.467 -3.534 3.262 224 HB3 CYS 28 2HB CYS 28 0.783 -3.814 3.690 225 HG CYS 28 HG CYS 28 1.799 -1.994 1.328 226 HA PRO 29 HA PRO 29 2.831 -5.076 8.177 227 HB2 PRO 29 1HB PRO 29 0.978 -7.058 8.236 228 HB3 PRO 29 2HB PRO 29 0.740 -5.497 9.029 229 HG2 PRO 29 1HG PRO 29 -0.289 -6.453 6.387 230 HG3 PRO 29 2HG PRO 29 -1.132 -5.539 7.650 231 HD2 PRO 29 1HD PRO 29 -0.124 -4.364 5.429 232 HD3 PRO 29 2HD PRO 29 -0.202 -3.534 6.995 233 H LYS 30 H LYS 30 4.433 -5.384 6.297 234 HA LYS 30 HA LYS 30 4.487 -8.239 5.663 235 HB2 LYS 30 1HB LYS 30 4.864 -6.021 3.647 236 HB3 LYS 30 2HB LYS 30 5.305 -7.698 3.354 237 HG2 LYS 30 1HG LYS 30 3.242 -7.652 2.392 238 HG3 LYS 30 2HG LYS 30 2.802 -8.132 4.034 239 HD2 LYS 30 1HD LYS 30 2.596 -5.567 4.435 240 HD3 LYS 30 2HD LYS 30 2.474 -5.485 2.676 241 HE2 LYS 30 1HE LYS 30 0.775 -7.571 3.582 242 HE3 LYS 30 2HE LYS 30 0.461 -6.147 4.572 243 HZ1 LYS 30 3HZ LYS 30 0.670 -5.305 1.924 244 HZ2 LYS 30 1HZ LYS 30 -0.706 -5.313 2.906 245 HZ3 LYS 30 2HZ LYS 30 -0.354 -6.651 1.934 246 H PHE 31 H PHE 31 5.982 -7.861 7.571 247 HA PHE 31 HA PHE 31 8.465 -6.530 7.116 248 HB2 PHE 31 1HB PHE 31 7.848 -8.626 9.204 249 HB3 PHE 31 2HB PHE 31 9.143 -7.435 9.249 250 HD1 PHE 31 1HD PHE 31 5.559 -8.003 9.671 251 HD2 PHE 31 2HD PHE 31 8.692 -5.126 9.799 252 HE1 PHE 31 1HE PHE 31 4.076 -6.447 10.865 253 HE2 PHE 31 2HE PHE 31 7.214 -3.564 10.994 254 HZ PHE 31 HZ PHE 31 4.903 -4.223 11.529 255 H ASP 32 H ASP 32 10.336 -8.348 8.095 256 HA ASP 32 HA ASP 32 11.355 -9.523 5.845 257 HB2 ASP 32 1HB ASP 32 11.711 -10.078 8.762 258 HB3 ASP 32 2HB ASP 32 12.449 -11.169 7.592 259 H ASN 33 H ASN 33 9.809 -10.588 4.616 260 HA ASN 33 HA ASN 33 9.574 -13.332 4.906 261 HB2 ASN 33 1HB ASN 33 8.144 -13.181 6.755 262 HB3 ASN 33 2HB ASN 33 7.299 -11.779 6.104 263 HD21 ASN 33 2HD2 ASN 33 5.300 -12.247 5.586 264 HD22 ASN 33 1HD2 ASN 33 4.744 -13.722 4.878 265 H LYS 34 H LYS 34 7.541 -10.574 3.932 266 HA LYS 34 HA LYS 34 7.731 -11.426 1.159 267 HB2 LYS 34 1HB LYS 34 5.700 -12.540 2.258 268 HB3 LYS 34 2HB LYS 34 5.004 -10.928 2.340 269 HG2 LYS 34 1HG LYS 34 4.332 -11.066 0.238 270 HG3 LYS 34 2HG LYS 34 5.977 -11.405 -0.306 271 HD2 LYS 34 1HD LYS 34 4.659 -13.244 -1.002 272 HD3 LYS 34 2HD LYS 34 5.576 -13.802 0.399 273 HE2 LYS 34 1HE LYS 34 3.699 -13.693 1.806 274 HE3 LYS 34 2HE LYS 34 2.796 -12.699 0.664 275 HZ1 LYS 34 3HZ LYS 34 2.586 -14.561 -0.804 276 HZ2 LYS 34 1HZ LYS 34 2.059 -15.034 0.731 277 HZ3 LYS 34 2HZ LYS 34 3.579 -15.520 0.172 278 H LYS 35 H LYS 35 9.005 -9.297 1.947 279 HA LYS 35 HA LYS 35 7.401 -6.908 1.912 280 HB2 LYS 35 1HB LYS 35 10.077 -7.595 2.598 281 HB3 LYS 35 2HB LYS 35 10.144 -6.339 1.368 282 HG2 LYS 35 1HG LYS 35 8.254 -5.319 3.000 283 HG3 LYS 35 2HG LYS 35 9.240 -6.209 4.162 284 HD2 LYS 35 1HD LYS 35 10.519 -4.402 2.143 285 HD3 LYS 35 2HD LYS 35 9.834 -3.744 3.632 286 HE2 LYS 35 1HE LYS 35 11.343 -5.942 4.442 287 HE3 LYS 35 2HE LYS 35 12.322 -5.154 3.206 288 HZ1 LYS 35 3HZ LYS 35 11.462 -4.146 5.818 289 HZ2 LYS 35 1HZ LYS 35 11.656 -3.031 4.560 290 HZ3 LYS 35 2HZ LYS 35 12.959 -3.996 5.044 291 H CYS 36 H CYS 36 8.193 -5.103 0.340 292 HA CYS 36 HA CYS 36 7.476 -5.918 -2.277 293 HB2 CYS 36 1HB CYS 36 7.121 -3.629 -1.204 294 HB3 CYS 36 2HB CYS 36 8.812 -3.309 -1.566 295 HG CYS 36 HG CYS 36 7.960 -2.105 -3.708 296 H THR 37 H THR 37 8.707 -5.915 -4.188 297 HA THR 37 HA THR 37 11.609 -5.765 -3.951 298 HB THR 37 HB THR 37 11.879 -7.943 -5.157 299 HG1 THR 37 1HG THR 37 9.764 -8.222 -5.924 300 HG21 THR 37 3HG2 THR 37 12.137 -7.644 -2.662 301 HG22 THR 37 1HG2 THR 37 11.781 -9.286 -3.197 302 HG23 THR 37 2HG2 THR 37 10.504 -8.290 -2.498 303 H LYS 38 H LYS 38 9.816 -4.035 -5.248 304 HA LYS 38 HA LYS 38 11.005 -3.749 -7.751 305 HB2 LYS 38 1HB LYS 38 8.867 -5.657 -7.731 306 HB3 LYS 38 2HB LYS 38 8.373 -4.257 -8.673 307 HG2 LYS 38 1HG LYS 38 11.040 -4.930 -9.394 308 HG3 LYS 38 2HG LYS 38 10.053 -6.393 -9.443 309 HD2 LYS 38 1HD LYS 38 8.474 -5.337 -10.923 310 HD3 LYS 38 2HD LYS 38 9.311 -3.789 -10.775 311 HE2 LYS 38 1HE LYS 38 10.481 -4.363 -12.579 312 HE3 LYS 38 2HE LYS 38 11.281 -5.576 -11.580 313 HZ1 LYS 38 3HZ LYS 38 9.049 -5.912 -13.471 314 HZ2 LYS 38 1HZ LYS 38 9.238 -7.003 -12.190 315 HZ3 LYS 38 2HZ LYS 38 10.474 -6.813 -13.328 316 H ASP 39 H ASP 39 10.885 -1.642 -8.118 317 HA ASP 39 HA ASP 39 9.410 0.167 -6.653 318 HB2 ASP 39 1HB ASP 39 9.780 1.688 -8.744 319 HB3 ASP 39 2HB ASP 39 11.173 1.120 -7.828 320 H ASN 40 H ASN 40 7.286 0.371 -6.476 321 HA ASN 40 HA ASN 40 5.075 0.535 -6.984 322 HB2 ASN 40 1HB ASN 40 6.448 1.454 -9.428 323 HB3 ASN 40 2HB ASN 40 4.784 0.928 -9.667 324 HD21 ASN 40 2HD2 ASN 40 6.820 3.054 -7.728 325 HD22 ASN 40 1HD2 ASN 40 5.608 4.250 -7.441 326 H ASN 41 H ASN 41 5.073 -1.789 -6.455 327 HA ASN 41 HA ASN 41 4.896 -3.625 -8.699 328 HB2 ASN 41 1HB ASN 41 5.323 -3.842 -5.826 329 HB3 ASN 41 2HB ASN 41 4.145 -5.015 -6.411 330 HD21 ASN 41 2HD2 ASN 41 6.525 -5.838 -5.369 331 HD22 ASN 41 1HD2 ASN 41 7.515 -6.501 -6.620 332 H LYS 42 H LYS 42 2.810 -3.499 -5.840 333 HA LYS 42 HA LYS 42 0.469 -2.621 -7.084 334 HB2 LYS 42 1HB LYS 42 0.487 -4.559 -8.464 335 HB3 LYS 42 2HB LYS 42 0.880 -5.608 -7.107 336 HG2 LYS 42 1HG LYS 42 -1.276 -5.576 -6.285 337 HG3 LYS 42 2HG LYS 42 -1.675 -4.063 -7.102 338 HD2 LYS 42 1HD LYS 42 -1.045 -5.805 -9.166 339 HD3 LYS 42 2HD LYS 42 -1.948 -6.802 -8.023 340 HE2 LYS 42 1HE LYS 42 -3.712 -5.042 -7.991 341 HE3 LYS 42 2HE LYS 42 -2.831 -4.200 -9.265 342 HZ1 LYS 42 3HZ LYS 42 -3.577 -7.018 -9.644 343 HZ2 LYS 42 1HZ LYS 42 -3.331 -5.809 -10.802 344 HZ3 LYS 42 2HZ LYS 42 -4.744 -5.815 -9.871 345 H CYS 43 H CYS 43 -0.940 -2.101 -5.528 346 HA CYS 43 HA CYS 43 -0.942 -3.629 -3.029 347 HB2 CYS 43 1HB CYS 43 0.404 -1.260 -3.181 348 HB3 CYS 43 2HB CYS 43 -1.188 -0.716 -2.667 349 HG CYS 43 HG CYS 43 -1.251 -2.113 -0.320 350 H THR 44 H THR 44 -2.762 -2.519 -1.552 351 HA THR 44 HA THR 44 -5.004 -1.393 -2.857 352 HB THR 44 HB THR 44 -6.182 -3.835 -2.100 353 HG1 THR 44 1HG THR 44 -4.934 -5.083 -3.850 354 HG21 THR 44 3HG2 THR 44 -5.645 -3.220 -4.964 355 HG22 THR 44 1HG2 THR 44 -6.580 -2.061 -4.020 356 HG23 THR 44 2HG2 THR 44 -7.142 -3.724 -4.180 357 H VAL 45 H VAL 45 -6.690 -0.896 -1.426 358 HA VAL 45 HA VAL 45 -6.518 -1.835 1.322 359 HB VAL 45 HB VAL 45 -6.279 1.094 0.623 360 HG11 VAL 45 1HG1 VAL 45 -5.991 1.145 3.233 361 HG12 VAL 45 2HG1 VAL 45 -7.595 1.185 2.500 362 HG13 VAL 45 3HG1 VAL 45 -6.961 -0.326 3.152 363 HG21 VAL 45 3HG2 VAL 45 -4.174 -0.122 0.427 364 HG22 VAL 45 1HG2 VAL 45 -4.145 0.966 1.815 365 HG23 VAL 45 2HG2 VAL 45 -4.382 -0.765 2.056 366 H ASP 46 H ASP 46 -8.456 -1.842 2.356 367 HA ASP 46 HA ASP 46 -10.744 -0.721 0.873 368 HB2 ASP 46 1HB ASP 46 -10.463 -3.299 1.191 369 HB3 ASP 46 2HB ASP 46 -11.020 -2.977 2.831 370 H THR 47 H THR 47 -12.377 0.318 2.013 371 HA THR 47 HA THR 47 -11.526 1.551 4.481 372 HB THR 47 HB THR 47 -13.501 2.943 4.289 373 HG1 THR 47 1HG THR 47 -15.204 2.162 3.321 374 HG21 THR 47 3HG2 THR 47 -13.067 3.259 1.540 375 HG22 THR 47 1HG2 THR 47 -11.545 2.648 2.191 376 HG23 THR 47 2HG2 THR 47 -12.261 4.117 2.854 377 H TYR 48 H TYR 48 -13.317 -1.187 3.629 378 HA TYR 48 HA TYR 48 -15.347 -1.339 5.488 379 HB2 TYR 48 1HB TYR 48 -15.212 -3.063 3.875 380 HB3 TYR 48 2HB TYR 48 -13.559 -3.465 4.323 381 HD1 TYR 48 1HD TYR 48 -16.480 -2.963 6.568 382 HD2 TYR 48 2HD TYR 48 -13.707 -5.729 4.905 383 HE1 TYR 48 1HE TYR 48 -17.320 -4.709 8.084 384 HE2 TYR 48 2HE TYR 48 -14.540 -7.482 6.415 385 HH TYR 48 HH TYR 48 -17.201 -7.618 7.784 386 H ASN 49 H ASN 49 -12.012 -2.537 5.903 387 HA ASN 49 HA ASN 49 -12.098 -1.828 8.714 388 HB2 ASN 49 1HB ASN 49 -12.930 -4.323 8.167 389 HB3 ASN 49 2HB ASN 49 -11.195 -4.614 8.223 390 HD21 ASN 49 2HD2 ASN 49 -10.477 -5.211 10.123 391 HD22 ASN 49 1HD2 ASN 49 -11.141 -4.768 11.655 392 H ASN 50 H ASN 50 -10.600 -0.799 6.570 393 HA ASN 50 HA ASN 50 -8.475 -0.308 5.904 394 HB2 ASN 50 1HB ASN 50 -8.602 0.002 8.589 395 HB3 ASN 50 2HB ASN 50 -7.296 -1.175 8.478 396 HD21 ASN 50 2HD2 ASN 50 -6.092 -0.411 6.133 397 HD22 ASN 50 1HD2 ASN 50 -5.398 1.159 6.328 398 H ALA 51 H ALA 51 -9.212 -2.782 5.031 399 HA ALA 51 HA ALA 51 -7.174 -4.722 5.700 400 HB1 ALA 51 1HB ALA 51 -8.294 -6.098 3.948 401 HB2 ALA 51 2HB ALA 51 -9.364 -5.570 5.249 402 HB3 ALA 51 3HB ALA 51 -9.412 -4.759 3.683 403 H VAL 52 H VAL 52 -5.180 -4.372 4.955 404 HA VAL 52 HA VAL 52 -4.822 -3.224 2.281 405 HB VAL 52 HB VAL 52 -2.691 -3.730 4.356 406 HG11 VAL 52 1HG1 VAL 52 -1.695 -1.751 2.947 407 HG12 VAL 52 2HG1 VAL 52 -1.548 -3.419 2.388 408 HG13 VAL 52 3HG1 VAL 52 -2.790 -2.365 1.709 409 HG21 VAL 52 3HG2 VAL 52 -2.952 -1.110 4.516 410 HG22 VAL 52 1HG2 VAL 52 -4.605 -1.476 4.021 411 HG23 VAL 52 2HG2 VAL 52 -3.948 -2.188 5.494 412 H ASP 53 H ASP 53 -3.441 -4.191 0.748 413 HA ASP 53 HA ASP 53 -2.801 -7.023 1.235 414 HB2 ASP 53 1HB ASP 53 -4.415 -5.806 -0.942 415 HB3 ASP 53 2HB ASP 53 -3.308 -7.098 -1.399 416 H CYS 54 H CYS 54 -1.355 -7.829 -0.690 417 HA CYS 54 HA CYS 54 0.572 -5.754 -1.448 418 HB2 CYS 54 1HB CYS 54 2.451 -7.023 -0.706 419 HB3 CYS 54 2HB CYS 54 1.324 -6.950 0.644 420 HG CYS 54 HG CYS 54 0.315 -9.605 -0.531 421 H ASP 55 H ASP 55 1.950 -6.343 -3.231 422 HA ASP 55 HA ASP 55 0.577 -7.657 -5.305 423 HB2 ASP 55 1HB ASP 55 2.254 -5.882 -5.682 424 HB3 ASP 55 2HB ASP 55 3.521 -6.979 -5.140 Start of MODEL 17 1 H1 ALA 1 H ALA 1 -14.403 1.530 2.846 2 HA ALA 1 HA ALA 1 -14.719 0.537 0.136 3 HB1 ALA 1 1HB ALA 1 -14.743 3.079 1.338 4 HB2 ALA 1 2HB ALA 1 -13.355 3.050 0.250 5 HB3 ALA 1 3HB ALA 1 -14.965 2.684 -0.367 6 H LYS 2 H LYS 2 -12.933 0.722 -1.424 7 HA LYS 2 HA LYS 2 -10.352 0.045 -0.173 8 HB2 LYS 2 1HB LYS 2 -11.545 -0.938 -2.770 9 HB3 LYS 2 2HB LYS 2 -9.903 -1.280 -2.242 10 HG2 LYS 2 1HG LYS 2 -11.242 -2.130 -0.085 11 HG3 LYS 2 2HG LYS 2 -12.466 -2.412 -1.325 12 HD2 LYS 2 1HD LYS 2 -10.712 -3.632 -2.642 13 HD3 LYS 2 2HD LYS 2 -9.657 -3.502 -1.232 14 HE2 LYS 2 1HE LYS 2 -10.657 -5.630 -1.083 15 HE3 LYS 2 2HE LYS 2 -11.514 -4.622 0.082 16 HZ1 LYS 2 3HZ LYS 2 -12.620 -4.769 -2.613 17 HZ2 LYS 2 1HZ LYS 2 -13.412 -4.682 -1.121 18 HZ3 LYS 2 2HZ LYS 2 -12.766 -6.153 -1.651 19 H TYR 3 H TYR 3 -8.453 0.448 -1.664 20 HA TYR 3 HA TYR 3 -8.840 2.735 -3.443 21 HB2 TYR 3 1HB TYR 3 -7.022 2.718 -1.032 22 HB3 TYR 3 2HB TYR 3 -6.861 3.872 -2.351 23 HD1 TYR 3 2HD TYR 3 -8.657 5.531 -2.765 24 HD2 TYR 3 1HD TYR 3 -8.737 2.947 0.614 25 HE1 TYR 3 2HE TYR 3 -10.323 6.990 -1.696 26 HE2 TYR 3 1HE TYR 3 -10.404 4.398 1.692 27 HH TYR 3 HH TYR 3 -11.345 7.477 0.284 28 H THR 4 H THR 4 -7.681 2.536 -5.243 29 HA THR 4 HA THR 4 -5.860 0.317 -5.528 30 HB THR 4 HB THR 4 -7.455 0.943 -7.329 31 HG1 THR 4 1HG THR 4 -6.014 -0.035 -8.517 32 HG21 THR 4 3HG2 THR 4 -7.225 3.406 -7.046 33 HG22 THR 4 1HG2 THR 4 -7.048 2.871 -8.718 34 HG23 THR 4 2HG2 THR 4 -5.621 3.299 -7.773 35 H GLY 5 H GLY 5 -3.683 0.370 -5.622 36 HA2 GLY 5 1HA GLY 5 -2.178 2.711 -6.231 37 HA3 GLY 5 2HA GLY 5 -2.206 2.420 -4.498 38 H LYS 6 H LYS 6 0.181 2.300 -5.022 39 HA LYS 6 HA LYS 6 0.901 -0.507 -5.212 40 HB2 LYS 6 1HB LYS 6 1.980 1.585 -7.106 41 HB3 LYS 6 2HB LYS 6 2.739 0.019 -6.853 42 HG2 LYS 6 1HG LYS 6 1.496 -0.488 -8.673 43 HG3 LYS 6 2HG LYS 6 0.291 -0.829 -7.431 44 HD2 LYS 6 1HD LYS 6 -1.049 0.618 -8.468 45 HD3 LYS 6 2HD LYS 6 0.042 1.899 -7.933 46 HE2 LYS 6 1HE LYS 6 1.219 1.891 -9.966 47 HE3 LYS 6 2HE LYS 6 0.541 0.337 -10.450 48 HZ1 LYS 6 3HZ LYS 6 -1.262 2.617 -10.024 49 HZ2 LYS 6 1HZ LYS 6 -1.440 1.285 -11.052 50 HZ3 LYS 6 2HZ LYS 6 -0.372 2.532 -11.460 51 H CYS 7 H CYS 7 3.319 -0.772 -4.794 52 HA CYS 7 HA CYS 7 4.187 1.256 -2.841 53 HB2 CYS 7 1HB CYS 7 4.272 -1.740 -2.743 54 HB3 CYS 7 2HB CYS 7 5.453 -0.798 -1.841 55 HG CYS 7 HG CYS 7 3.650 -1.387 0.070 56 H THR 8 H THR 8 6.595 1.182 -2.430 57 HA THR 8 HA THR 8 8.025 0.724 -4.969 58 HB THR 8 HB THR 8 9.324 2.659 -4.654 59 HG1 THR 8 1HG THR 8 9.453 3.750 -2.710 60 HG21 THR 8 3HG2 THR 8 6.642 3.526 -3.593 61 HG22 THR 8 1HG2 THR 8 6.892 3.033 -5.268 62 HG23 THR 8 2HG2 THR 8 7.751 4.432 -4.623 63 H LYS 9 H LYS 9 10.131 -0.066 -4.873 64 HA LYS 9 HA LYS 9 10.706 -1.937 -2.891 65 HB2 LYS 9 1HB LYS 9 13.065 -1.840 -3.869 66 HB3 LYS 9 2HB LYS 9 11.758 -2.251 -4.971 67 HG2 LYS 9 1HG LYS 9 11.971 -0.337 -6.162 68 HG3 LYS 9 2HG LYS 9 12.478 0.610 -4.761 69 HD2 LYS 9 1HD LYS 9 14.419 0.503 -6.022 70 HD3 LYS 9 2HD LYS 9 14.633 -0.830 -4.885 71 HE2 LYS 9 1HE LYS 9 13.263 -1.965 -7.010 72 HE3 LYS 9 2HE LYS 9 14.408 -0.868 -7.778 73 HZ1 LYS 9 3HZ LYS 9 15.235 -3.179 -7.362 74 HZ2 LYS 9 1HZ LYS 9 15.202 -2.831 -5.706 75 HZ3 LYS 9 2HZ LYS 9 16.211 -1.949 -6.735 76 H SER 10 H SER 10 11.341 1.460 -3.021 77 HA SER 10 HA SER 10 13.123 1.285 -0.695 78 HB2 SER 10 1HB SER 10 13.351 3.831 -1.222 79 HB3 SER 10 2HB SER 10 14.166 2.663 -2.262 80 HG SER 10 HG SER 10 12.770 4.441 -3.219 81 H LYS 11 H LYS 11 10.062 1.088 -0.888 82 HA LYS 11 HA LYS 11 9.460 2.227 1.591 83 HB2 LYS 11 1HB LYS 11 9.332 4.086 -0.596 84 HB3 LYS 11 2HB LYS 11 7.716 3.829 0.049 85 HG2 LYS 11 1HG LYS 11 10.128 4.639 1.659 86 HG3 LYS 11 2HG LYS 11 8.845 5.720 1.112 87 HD2 LYS 11 1HD LYS 11 7.227 4.604 2.468 88 HD3 LYS 11 2HD LYS 11 8.365 3.314 2.861 89 HE2 LYS 11 1HE LYS 11 8.638 4.537 4.744 90 HE3 LYS 11 2HE LYS 11 9.775 5.420 3.727 91 HZ1 LYS 11 3HZ LYS 11 8.496 7.230 3.757 92 HZ2 LYS 11 1HZ LYS 11 7.697 6.515 5.066 93 HZ3 LYS 11 2HZ LYS 11 7.067 6.359 3.504 94 H ASN 12 H ASN 12 8.404 0.323 1.976 95 HA ASN 12 HA ASN 12 6.400 -0.684 0.170 96 HB2 ASN 12 1HB ASN 12 7.778 -2.235 1.472 97 HB3 ASN 12 2HB ASN 12 7.149 -1.555 2.970 98 HD21 ASN 12 2HD2 ASN 12 6.174 -3.344 3.755 99 HD22 ASN 12 1HD2 ASN 12 4.834 -4.128 2.995 100 H GLU 13 H GLU 13 5.334 1.571 0.387 101 HA GLU 13 HA GLU 13 3.167 1.293 2.345 102 HB2 GLU 13 1HB GLU 13 3.262 3.560 3.018 103 HB3 GLU 13 2HB GLU 13 4.912 2.962 3.117 104 HG2 GLU 13 1HG GLU 13 5.442 4.019 0.994 105 HG3 GLU 13 2HG GLU 13 3.781 4.590 0.853 106 H CYS 14 H CYS 14 1.185 1.678 1.541 107 HA CYS 14 HA CYS 14 0.880 2.028 -1.275 108 HB2 CYS 14 1HB CYS 14 -0.616 0.748 0.482 109 HB3 CYS 14 2HB CYS 14 -1.425 2.306 0.609 110 HG CYS 14 HG CYS 14 -1.611 2.248 -2.387 111 H LYS 15 H LYS 15 1.555 4.013 -1.957 112 HA LYS 15 HA LYS 15 0.733 6.428 -0.611 113 HB2 LYS 15 1HB LYS 15 2.000 6.288 -3.337 114 HB3 LYS 15 2HB LYS 15 2.095 7.585 -2.154 115 HG2 LYS 15 1HG LYS 15 3.274 5.774 -0.691 116 HG3 LYS 15 2HG LYS 15 3.561 4.993 -2.247 117 HD2 LYS 15 1HD LYS 15 4.173 7.768 -2.487 118 HD3 LYS 15 2HD LYS 15 4.994 7.129 -1.061 119 HE2 LYS 15 1HE LYS 15 6.362 5.808 -2.280 120 HE3 LYS 15 2HE LYS 15 5.116 5.440 -3.472 121 HZ1 LYS 15 3HZ LYS 15 7.226 7.234 -3.713 122 HZ2 LYS 15 1HZ LYS 15 5.811 8.160 -3.660 123 HZ3 LYS 15 2HZ LYS 15 5.983 6.945 -4.823 124 H TYR 16 H TYR 16 -1.597 5.500 -0.990 125 HA TYR 16 HA TYR 16 -2.641 6.297 -3.603 126 HB2 TYR 16 1HB TYR 16 -4.615 5.098 -3.056 127 HB3 TYR 16 2HB TYR 16 -3.277 4.098 -2.500 128 HD1 TYR 16 1HD TYR 16 -2.813 3.870 -0.096 129 HD2 TYR 16 2HD TYR 16 -6.169 6.075 -1.505 130 HE1 TYR 16 1HE TYR 16 -3.802 3.791 2.155 131 HE2 TYR 16 2HE TYR 16 -7.166 6.003 0.742 132 HH TYR 16 HH TYR 16 -6.640 5.631 2.980 133 H LYS 17 H LYS 17 -5.012 7.259 -3.320 134 HA LYS 17 HA LYS 17 -4.811 9.501 -1.418 135 HB2 LYS 17 1HB LYS 17 -6.119 10.805 -3.167 136 HB3 LYS 17 2HB LYS 17 -4.438 10.458 -3.547 137 HG2 LYS 17 1HG LYS 17 -5.217 8.517 -4.902 138 HG3 LYS 17 2HG LYS 17 -6.873 9.060 -4.627 139 HD2 LYS 17 1HD LYS 17 -6.479 10.112 -6.609 140 HD3 LYS 17 2HD LYS 17 -5.859 11.351 -5.515 141 HE2 LYS 17 1HE LYS 17 -3.645 10.815 -5.964 142 HE3 LYS 17 2HE LYS 17 -4.051 9.206 -6.557 143 HZ1 LYS 17 3HZ LYS 17 -5.037 11.561 -8.010 144 HZ2 LYS 17 1HZ LYS 17 -4.677 10.013 -8.592 145 HZ3 LYS 17 2HZ LYS 17 -3.426 11.087 -8.212 146 H ASN 18 H ASN 18 -6.614 10.049 -0.278 147 HA ASN 18 HA ASN 18 -9.063 8.505 -0.817 148 HB2 ASN 18 1HB ASN 18 -9.292 7.859 1.376 149 HB3 ASN 18 2HB ASN 18 -7.535 7.894 1.266 150 HD21 ASN 18 2HD2 ASN 18 -6.739 10.321 1.592 151 HD22 ASN 18 1HD2 ASN 18 -7.325 11.040 3.050 152 H ASP 19 H ASP 19 -10.995 9.484 0.345 153 HA ASP 19 HA ASP 19 -12.394 11.233 0.777 154 HB2 ASP 19 1HB ASP 19 -10.330 12.017 2.143 155 HB3 ASP 19 2HB ASP 19 -10.065 13.133 0.807 156 H ALA 20 H ALA 20 -9.774 12.802 -1.063 157 HA ALA 20 HA ALA 20 -11.042 12.743 -3.559 158 HB1 ALA 20 1HB ALA 20 -11.609 15.193 -1.910 159 HB2 ALA 20 2HB ALA 20 -11.704 15.180 -3.671 160 HB3 ALA 20 3HB ALA 20 -12.759 14.133 -2.724 161 H GLY 21 H GLY 21 -8.527 12.241 -3.097 162 HA2 GLY 21 1HA GLY 21 -6.567 12.833 -4.273 163 HA3 GLY 21 2HA GLY 21 -7.134 14.495 -4.336 164 H LYS 22 H LYS 22 -7.337 12.883 -1.307 165 HA LYS 22 HA LYS 22 -5.467 14.739 -0.143 166 HB2 LYS 22 1HB LYS 22 -7.691 13.369 0.777 167 HB3 LYS 22 2HB LYS 22 -6.355 12.561 1.586 168 HG2 LYS 22 1HG LYS 22 -6.489 15.540 1.596 169 HG3 LYS 22 2HG LYS 22 -7.518 14.611 2.691 170 HD2 LYS 22 1HD LYS 22 -5.049 13.418 2.978 171 HD3 LYS 22 2HD LYS 22 -4.653 15.129 2.804 172 HE2 LYS 22 1HE LYS 22 -6.820 15.119 4.524 173 HE3 LYS 22 2HE LYS 22 -5.880 13.715 5.026 174 HZ1 LYS 22 3HZ LYS 22 -4.685 16.400 4.643 175 HZ2 LYS 22 1HZ LYS 22 -3.993 15.056 5.403 176 HZ3 LYS 22 2HZ LYS 22 -5.287 15.864 6.131 177 H ASP 23 H ASP 23 -3.652 14.106 1.183 178 HA ASP 23 HA ASP 23 -2.160 11.926 -0.037 179 HB2 ASP 23 1HB ASP 23 -1.147 13.799 2.095 180 HB3 ASP 23 2HB ASP 23 -0.216 12.898 0.902 181 H THR 24 H THR 24 -2.373 9.961 0.792 182 HA THR 24 HA THR 24 -2.270 9.647 3.709 183 HB THR 24 HB THR 24 -4.246 8.235 1.906 184 HG1 THR 24 1HG THR 24 -4.608 10.089 4.045 185 HG21 THR 24 3HG2 THR 24 -5.077 7.352 4.155 186 HG22 THR 24 1HG2 THR 24 -3.511 7.847 4.798 187 HG23 THR 24 2HG2 THR 24 -3.596 6.641 3.514 188 H PHE 25 H PHE 25 -0.746 8.252 4.287 189 HA PHE 25 HA PHE 25 0.039 6.152 2.377 190 HB2 PHE 25 1HB PHE 25 1.908 7.649 4.226 191 HB3 PHE 25 2HB PHE 25 2.358 6.419 3.049 192 HD1 PHE 25 2HD PHE 25 0.967 9.829 3.401 193 HD2 PHE 25 1HD PHE 25 2.794 6.982 0.817 194 HE1 PHE 25 2HE PHE 25 1.277 11.578 1.700 195 HE2 PHE 25 1HE PHE 25 3.109 8.728 -0.889 196 HZ PHE 25 HZ PHE 25 2.349 11.029 -0.449 197 H ILE 26 H ILE 26 0.656 4.160 3.241 198 HA ILE 26 HA ILE 26 0.690 3.731 6.089 199 HB ILE 26 HB ILE 26 -1.694 3.718 5.813 200 HG12 ILE 26 1HG1 ILE 26 -2.226 1.433 6.528 201 HG13 ILE 26 2HG1 ILE 26 -0.677 0.868 5.912 202 HG21 ILE 26 1HG2 ILE 26 -1.080 2.618 3.265 203 HG22 ILE 26 2HG2 ILE 26 -2.161 1.508 4.105 204 HG23 ILE 26 3HG2 ILE 26 -2.632 3.191 3.873 205 HD11 ILE 26 3HD1 ILE 26 -1.077 2.818 8.169 206 HD12 ILE 26 1HD1 ILE 26 -0.628 1.119 8.323 207 HD13 ILE 26 2HD1 ILE 26 0.477 2.258 7.552 208 H LYS 27 H LYS 27 2.358 2.410 6.318 209 HA LYS 27 HA LYS 27 3.419 0.807 4.254 210 HB2 LYS 27 1HB LYS 27 4.695 1.699 6.216 211 HB3 LYS 27 2HB LYS 27 3.889 0.504 7.224 212 HG2 LYS 27 1HG LYS 27 4.852 -1.150 5.398 213 HG3 LYS 27 2HG LYS 27 6.025 0.154 5.196 214 HD2 LYS 27 1HD LYS 27 5.344 -0.966 7.900 215 HD3 LYS 27 2HD LYS 27 6.584 -1.693 6.877 216 HE2 LYS 27 1HE LYS 27 6.781 1.222 7.204 217 HE3 LYS 27 2HE LYS 27 7.036 0.287 8.676 218 HZ1 LYS 27 3HZ LYS 27 8.438 -0.886 6.519 219 HZ2 LYS 27 1HZ LYS 27 9.045 -0.278 7.977 220 HZ3 LYS 27 2HZ LYS 27 8.855 0.748 6.645 221 H CYS 28 H CYS 28 2.468 -0.928 3.423 222 HA CYS 28 HA CYS 28 0.374 -2.371 4.491 223 HB2 CYS 28 1HB CYS 28 2.506 -3.464 2.646 224 HB3 CYS 28 2HB CYS 28 0.873 -4.087 2.841 225 HG CYS 28 HG CYS 28 1.598 -0.982 1.597 226 HA PRO 29 HA PRO 29 1.992 -4.963 7.641 227 HB2 PRO 29 1HB PRO 29 0.395 -7.143 7.384 228 HB3 PRO 29 2HB PRO 29 -0.175 -5.608 8.049 229 HG2 PRO 29 1HG PRO 29 -0.506 -6.714 5.287 230 HG3 PRO 29 2HG PRO 29 -1.693 -5.884 6.309 231 HD2 PRO 29 1HD PRO 29 -0.368 -4.634 4.306 232 HD3 PRO 29 2HD PRO 29 -0.867 -3.795 5.789 233 H LYS 30 H LYS 30 4.008 -5.142 6.249 234 HA LYS 30 HA LYS 30 4.493 -7.972 5.717 235 HB2 LYS 30 1HB LYS 30 5.343 -5.840 3.755 236 HB3 LYS 30 2HB LYS 30 5.531 -7.580 3.584 237 HG2 LYS 30 1HG LYS 30 2.857 -6.216 3.753 238 HG3 LYS 30 2HG LYS 30 3.689 -6.555 2.233 239 HD2 LYS 30 1HD LYS 30 3.396 -8.828 2.423 240 HD3 LYS 30 2HD LYS 30 3.295 -8.774 4.184 241 HE2 LYS 30 1HE LYS 30 1.078 -8.760 4.060 242 HE3 LYS 30 2HE LYS 30 1.135 -7.261 3.136 243 HZ1 LYS 30 3HZ LYS 30 0.604 -8.335 1.282 244 HZ2 LYS 30 1HZ LYS 30 0.250 -9.686 2.237 245 HZ3 LYS 30 2HZ LYS 30 1.778 -9.529 1.528 246 H PHE 31 H PHE 31 5.477 -7.378 7.892 247 HA PHE 31 HA PHE 31 8.058 -6.027 7.642 248 HB2 PHE 31 1HB PHE 31 8.024 -6.538 10.222 249 HB3 PHE 31 2HB PHE 31 7.055 -5.225 9.563 250 HD1 PHE 31 2HD PHE 31 6.993 -8.567 11.033 251 HD2 PHE 31 1HD PHE 31 4.648 -5.387 9.451 252 HE1 PHE 31 2HE PHE 31 4.973 -9.575 12.011 253 HE2 PHE 31 1HE PHE 31 2.624 -6.390 10.427 254 HZ PHE 31 HZ PHE 31 2.785 -8.488 11.708 255 H ASP 32 H ASP 32 9.210 -7.597 6.491 256 HA ASP 32 HA ASP 32 10.632 -9.360 6.265 257 HB2 ASP 32 1HB ASP 32 11.183 -8.539 8.682 258 HB3 ASP 32 2HB ASP 32 10.341 -10.003 9.181 259 H ASN 33 H ASN 33 8.589 -10.184 5.172 260 HA ASN 33 HA ASN 33 8.193 -12.906 5.975 261 HB2 ASN 33 1HB ASN 33 6.486 -11.238 7.225 262 HB3 ASN 33 2HB ASN 33 5.590 -11.503 5.732 263 HD21 ASN 33 2HD2 ASN 33 4.001 -12.818 6.342 264 HD22 ASN 33 1HD2 ASN 33 4.217 -14.349 7.112 265 H LYS 34 H LYS 34 6.838 -10.278 3.995 266 HA LYS 34 HA LYS 34 7.542 -11.448 1.543 267 HB2 LYS 34 1HB LYS 34 5.542 -12.901 2.534 268 HB3 LYS 34 2HB LYS 34 4.580 -11.610 1.825 269 HG2 LYS 34 1HG LYS 34 6.446 -12.336 -0.133 270 HG3 LYS 34 2HG LYS 34 5.842 -13.846 0.554 271 HD2 LYS 34 1HD LYS 34 3.906 -11.688 -0.153 272 HD3 LYS 34 2HD LYS 34 4.590 -12.686 -1.438 273 HE2 LYS 34 1HE LYS 34 3.457 -14.531 -0.785 274 HE3 LYS 34 2HE LYS 34 3.585 -14.134 0.927 275 HZ1 LYS 34 3HZ LYS 34 1.328 -13.930 0.404 276 HZ2 LYS 34 1HZ LYS 34 1.632 -13.108 -1.043 277 HZ3 LYS 34 2HZ LYS 34 1.895 -12.336 0.439 278 H LYS 35 H LYS 35 7.964 -8.977 2.273 279 HA LYS 35 HA LYS 35 5.824 -7.188 1.558 280 HB2 LYS 35 1HB LYS 35 7.633 -5.437 1.770 281 HB3 LYS 35 2HB LYS 35 7.330 -6.393 3.216 282 HG2 LYS 35 1HG LYS 35 9.398 -7.228 3.236 283 HG3 LYS 35 2HG LYS 35 9.396 -7.521 1.495 284 HD2 LYS 35 1HD LYS 35 10.562 -5.661 1.103 285 HD3 LYS 35 2HD LYS 35 9.470 -4.691 2.095 286 HE2 LYS 35 1HE LYS 35 10.694 -5.714 4.101 287 HE3 LYS 35 2HE LYS 35 11.917 -6.217 2.934 288 HZ1 LYS 35 3HZ LYS 35 12.714 -4.156 2.796 289 HZ2 LYS 35 1HZ LYS 35 11.822 -3.814 4.192 290 HZ3 LYS 35 2HZ LYS 35 11.179 -3.457 2.669 291 H CYS 36 H CYS 36 6.479 -5.344 -0.046 292 HA CYS 36 HA CYS 36 6.433 -6.345 -2.614 293 HB2 CYS 36 1HB CYS 36 5.841 -4.014 -1.939 294 HB3 CYS 36 2HB CYS 36 7.558 -3.656 -1.808 295 HG CYS 36 HG CYS 36 7.550 -2.705 -4.197 296 H THR 37 H THR 37 7.961 -6.499 -4.287 297 HA THR 37 HA THR 37 10.786 -6.418 -3.494 298 HB THR 37 HB THR 37 11.168 -8.550 -4.760 299 HG1 THR 37 1HG THR 37 9.172 -8.569 -5.909 300 HG21 THR 37 3HG2 THR 37 10.098 -10.015 -2.942 301 HG22 THR 37 1HG2 THR 37 9.505 -8.503 -2.258 302 HG23 THR 37 2HG2 THR 37 11.239 -8.773 -2.427 303 H LYS 38 H LYS 38 9.390 -4.513 -5.016 304 HA LYS 38 HA LYS 38 11.076 -4.230 -7.234 305 HB2 LYS 38 1HB LYS 38 8.698 -5.821 -7.708 306 HB3 LYS 38 2HB LYS 38 8.710 -4.378 -8.715 307 HG2 LYS 38 1HG LYS 38 11.229 -5.196 -9.098 308 HG3 LYS 38 2HG LYS 38 10.461 -6.752 -8.775 309 HD2 LYS 38 1HD LYS 38 9.256 -6.704 -10.694 310 HD3 LYS 38 2HD LYS 38 9.039 -4.954 -10.639 311 HE2 LYS 38 1HE LYS 38 10.579 -4.814 -12.241 312 HE3 LYS 38 2HE LYS 38 11.767 -5.308 -11.035 313 HZ1 LYS 38 3HZ LYS 38 10.231 -7.169 -12.767 314 HZ2 LYS 38 1HZ LYS 38 11.440 -7.595 -11.663 315 HZ3 LYS 38 2HZ LYS 38 11.831 -6.690 -13.038 316 H ASP 39 H ASP 39 10.028 -2.515 -8.839 317 HA ASP 39 HA ASP 39 9.119 -0.350 -7.116 318 HB2 ASP 39 1HB ASP 39 10.399 -0.538 -9.799 319 HB3 ASP 39 2HB ASP 39 9.398 0.873 -9.470 320 H ASN 40 H ASN 40 7.035 0.088 -6.906 321 HA ASN 40 HA ASN 40 4.791 0.179 -7.281 322 HB2 ASN 40 1HB ASN 40 6.043 0.941 -9.867 323 HB3 ASN 40 2HB ASN 40 4.318 0.587 -9.892 324 HD21 ASN 40 2HD2 ASN 40 6.649 2.352 -7.879 325 HD22 ASN 40 1HD2 ASN 40 5.653 3.746 -7.653 326 H ASN 41 H ASN 41 4.910 -2.188 -6.729 327 HA ASN 41 HA ASN 41 4.597 -4.063 -8.892 328 HB2 ASN 41 1HB ASN 41 4.834 -4.187 -5.958 329 HB3 ASN 41 2HB ASN 41 3.806 -5.429 -6.666 330 HD21 ASN 41 2HD2 ASN 41 5.705 -6.618 -5.600 331 HD22 ASN 41 1HD2 ASN 41 7.022 -7.006 -6.648 332 H LYS 42 H LYS 42 2.467 -3.877 -6.081 333 HA LYS 42 HA LYS 42 0.173 -2.892 -7.301 334 HB2 LYS 42 1HB LYS 42 0.087 -4.698 -8.811 335 HB3 LYS 42 2HB LYS 42 0.555 -5.863 -7.579 336 HG2 LYS 42 1HG LYS 42 -1.552 -6.082 -6.786 337 HG3 LYS 42 2HG LYS 42 -1.978 -4.405 -7.136 338 HD2 LYS 42 1HD LYS 42 -2.155 -4.933 -9.509 339 HD3 LYS 42 2HD LYS 42 -1.682 -6.602 -9.185 340 HE2 LYS 42 1HE LYS 42 -3.689 -7.093 -8.119 341 HE3 LYS 42 2HE LYS 42 -4.049 -5.396 -7.804 342 HZ1 LYS 42 3HZ LYS 42 -3.848 -5.943 -10.598 343 HZ2 LYS 42 1HZ LYS 42 -5.110 -5.222 -9.731 344 HZ3 LYS 42 2HZ LYS 42 -5.028 -6.906 -9.861 345 H CYS 43 H CYS 43 -0.932 -2.215 -5.597 346 HA CYS 43 HA CYS 43 -1.424 -4.036 -3.373 347 HB2 CYS 43 1HB CYS 43 -0.254 -1.274 -2.975 348 HB3 CYS 43 2HB CYS 43 -0.773 -2.365 -1.697 349 HG CYS 43 HG CYS 43 1.574 -3.334 -1.377 350 H THR 44 H THR 44 -3.072 -3.151 -1.859 351 HA THR 44 HA THR 44 -4.730 -0.996 -2.851 352 HB THR 44 HB THR 44 -6.792 -2.517 -2.778 353 HG1 THR 44 1HG THR 44 -6.147 -4.454 -2.082 354 HG21 THR 44 3HG2 THR 44 -6.741 -2.723 -5.061 355 HG22 THR 44 1HG2 THR 44 -5.075 -3.298 -5.082 356 HG23 THR 44 2HG2 THR 44 -5.414 -1.585 -4.834 357 H VAL 45 H VAL 45 -5.173 0.137 -1.086 358 HA VAL 45 HA VAL 45 -5.219 -1.140 1.520 359 HB VAL 45 HB VAL 45 -5.366 1.738 0.646 360 HG11 VAL 45 1HG1 VAL 45 -6.827 1.626 2.520 361 HG12 VAL 45 2HG1 VAL 45 -5.710 0.587 3.408 362 HG13 VAL 45 3HG1 VAL 45 -5.292 2.273 3.097 363 HG21 VAL 45 3HG2 VAL 45 -3.358 0.497 2.492 364 HG22 VAL 45 1HG2 VAL 45 -3.189 0.358 0.742 365 HG23 VAL 45 2HG2 VAL 45 -3.212 1.949 1.503 366 H ASP 46 H ASP 46 -6.971 -1.323 2.854 367 HA ASP 46 HA ASP 46 -9.583 -0.627 1.679 368 HB2 ASP 46 1HB ASP 46 -9.118 -3.078 1.822 369 HB3 ASP 46 2HB ASP 46 -8.997 -2.911 3.572 370 H THR 47 H THR 47 -10.377 1.093 2.690 371 HA THR 47 HA THR 47 -9.613 1.895 5.301 372 HB THR 47 HB THR 47 -11.898 3.298 4.904 373 HG1 THR 47 1HG THR 47 -12.365 3.462 2.795 374 HG21 THR 47 3HG2 THR 47 -9.738 4.307 5.274 375 HG22 THR 47 1HG2 THR 47 -10.458 5.020 3.831 376 HG23 THR 47 2HG2 THR 47 -9.187 3.807 3.675 377 H TYR 48 H TYR 48 -11.785 -0.442 4.224 378 HA TYR 48 HA TYR 48 -13.941 -0.305 5.937 379 HB2 TYR 48 1HB TYR 48 -13.925 -1.972 4.232 380 HB3 TYR 48 2HB TYR 48 -12.450 -2.699 4.861 381 HD1 TYR 48 2HD TYR 48 -15.934 -1.929 5.979 382 HD2 TYR 48 1HD TYR 48 -12.649 -4.630 6.106 383 HE1 TYR 48 2HE TYR 48 -17.282 -3.496 7.314 384 HE2 TYR 48 1HE TYR 48 -13.988 -6.205 7.439 385 HH TYR 48 HH TYR 48 -15.955 -6.123 8.957 386 H ASN 49 H ASN 49 -10.889 -2.055 6.524 387 HA ASN 49 HA ASN 49 -11.075 -1.435 9.353 388 HB2 ASN 49 1HB ASN 49 -10.749 -3.841 9.989 389 HB3 ASN 49 2HB ASN 49 -12.335 -3.483 9.312 390 HD21 ASN 49 2HD2 ASN 49 -12.164 -5.906 9.107 391 HD22 ASN 49 1HD2 ASN 49 -11.529 -6.514 7.620 392 H ASN 50 H ASN 50 -9.275 -0.565 7.386 393 HA ASN 50 HA ASN 50 -7.056 -0.368 6.912 394 HB2 ASN 50 1HB ASN 50 -7.155 -1.133 9.796 395 HB3 ASN 50 2HB ASN 50 -5.585 -1.089 9.001 396 HD21 ASN 50 2HD2 ASN 50 -5.728 1.005 7.351 397 HD22 ASN 50 1HD2 ASN 50 -6.001 2.468 8.228 398 H ALA 51 H ALA 51 -7.814 -2.402 5.542 399 HA ALA 51 HA ALA 51 -5.854 -4.536 6.083 400 HB1 ALA 51 1HB ALA 51 -7.520 -5.991 4.748 401 HB2 ALA 51 2HB ALA 51 -7.870 -5.625 6.437 402 HB3 ALA 51 3HB ALA 51 -8.692 -4.737 5.154 403 H VAL 52 H VAL 52 -4.315 -3.469 4.768 404 HA VAL 52 HA VAL 52 -4.957 -2.990 1.976 405 HB VAL 52 HB VAL 52 -3.528 -1.379 3.119 406 HG11 VAL 52 1HG1 VAL 52 -1.150 -3.074 3.224 407 HG12 VAL 52 2HG1 VAL 52 -1.768 -1.909 4.399 408 HG13 VAL 52 3HG1 VAL 52 -2.413 -3.551 4.359 409 HG21 VAL 52 3HG2 VAL 52 -2.000 -2.940 1.035 410 HG22 VAL 52 1HG2 VAL 52 -3.248 -1.737 0.704 411 HG23 VAL 52 2HG2 VAL 52 -1.737 -1.253 1.476 412 H ASP 53 H ASP 53 -4.012 -4.049 0.230 413 HA ASP 53 HA ASP 53 -2.899 -6.698 0.866 414 HB2 ASP 53 1HB ASP 53 -5.063 -6.660 -0.373 415 HB3 ASP 53 2HB ASP 53 -4.254 -5.810 -1.687 416 H CYS 54 H CYS 54 -1.362 -7.577 -0.769 417 HA CYS 54 HA CYS 54 0.185 -5.549 -2.190 418 HB2 CYS 54 1HB CYS 54 1.134 -5.796 0.131 419 HB3 CYS 54 2HB CYS 54 1.508 -7.469 -0.268 420 HG CYS 54 HG CYS 54 3.704 -7.030 -1.549 421 H ASP 55 H ASP 55 1.610 -6.416 -3.786 422 HA ASP 55 HA ASP 55 0.600 -8.851 -4.955 423 HB2 ASP 55 1HB ASP 55 1.571 -6.545 -6.025 424 HB3 ASP 55 2HB ASP 55 2.982 -7.591 -6.159 Start of MODEL 18 1 H1 ALA 1 H ALA 1 -14.468 -1.249 1.077 2 HA ALA 1 HA ALA 1 -14.400 -2.381 -1.639 3 HB1 ALA 1 1HB ALA 1 -15.514 -0.563 -2.314 4 HB2 ALA 1 2HB ALA 1 -15.210 0.298 -0.804 5 HB3 ALA 1 3HB ALA 1 -13.988 0.287 -2.075 6 H LYS 2 H LYS 2 -12.413 -2.842 -2.305 7 HA LYS 2 HA LYS 2 -10.135 -1.979 -0.737 8 HB2 LYS 2 1HB LYS 2 -10.500 -3.913 -3.013 9 HB3 LYS 2 2HB LYS 2 -8.898 -3.445 -2.457 10 HG2 LYS 2 1HG LYS 2 -9.316 -4.348 -0.284 11 HG3 LYS 2 2HG LYS 2 -11.009 -4.646 -0.681 12 HD2 LYS 2 1HD LYS 2 -9.683 -5.977 -2.680 13 HD3 LYS 2 2HD LYS 2 -8.629 -6.231 -1.286 14 HE2 LYS 2 1HE LYS 2 -11.226 -6.619 -0.335 15 HE3 LYS 2 2HE LYS 2 -11.183 -7.421 -1.904 16 HZ1 LYS 2 3HZ LYS 2 -10.388 -8.588 0.328 17 HZ2 LYS 2 1HZ LYS 2 -8.917 -7.894 -0.140 18 HZ3 LYS 2 2HZ LYS 2 -9.719 -8.958 -1.182 19 H TYR 3 H TYR 3 -8.519 -0.630 -1.389 20 HA TYR 3 HA TYR 3 -9.057 0.938 -3.808 21 HB2 TYR 3 1HB TYR 3 -7.521 1.506 -1.284 22 HB3 TYR 3 2HB TYR 3 -7.301 2.490 -2.727 23 HD1 TYR 3 2HD TYR 3 -10.614 1.285 -2.592 24 HD2 TYR 3 1HD TYR 3 -8.054 4.257 -0.945 25 HE1 TYR 3 2HE TYR 3 -12.580 2.628 -1.973 26 HE2 TYR 3 1HE TYR 3 -10.012 5.608 -0.321 27 HH TYR 3 HH TYR 3 -13.268 4.677 -1.286 28 H THR 4 H THR 4 -7.660 1.043 -5.478 29 HA THR 4 HA THR 4 -5.553 -0.916 -5.601 30 HB THR 4 HB THR 4 -6.283 1.172 -7.662 31 HG1 THR 4 1HG THR 4 -7.098 -1.537 -7.721 32 HG21 THR 4 3HG2 THR 4 -5.209 -0.356 -9.238 33 HG22 THR 4 1HG2 THR 4 -4.811 -1.454 -7.916 34 HG23 THR 4 2HG2 THR 4 -4.076 0.148 -7.985 35 H GLY 5 H GLY 5 -3.898 -0.310 -4.244 36 HA2 GLY 5 1HA GLY 5 -2.632 2.297 -4.801 37 HA3 GLY 5 2HA GLY 5 -2.512 1.442 -3.272 38 H LYS 6 H LYS 6 -0.190 2.197 -4.132 39 HA LYS 6 HA LYS 6 1.068 -0.275 -5.045 40 HB2 LYS 6 1HB LYS 6 2.092 2.261 -6.233 41 HB3 LYS 6 2HB LYS 6 2.173 0.619 -6.858 42 HG2 LYS 6 1HG LYS 6 -0.275 0.747 -7.310 43 HG3 LYS 6 2HG LYS 6 -0.214 2.451 -6.852 44 HD2 LYS 6 1HD LYS 6 -0.017 2.500 -9.174 45 HD3 LYS 6 2HD LYS 6 1.652 2.636 -8.618 46 HE2 LYS 6 1HE LYS 6 1.959 0.232 -8.973 47 HE3 LYS 6 2HE LYS 6 0.292 0.104 -9.534 48 HZ1 LYS 6 3HZ LYS 6 2.542 0.703 -11.040 49 HZ2 LYS 6 1HZ LYS 6 1.628 2.126 -10.976 50 HZ3 LYS 6 2HZ LYS 6 0.931 0.697 -11.554 51 H CYS 7 H CYS 7 3.358 -0.372 -4.577 52 HA CYS 7 HA CYS 7 4.228 1.564 -2.538 53 HB2 CYS 7 1HB CYS 7 5.373 -0.414 -1.415 54 HB3 CYS 7 2HB CYS 7 3.621 -0.341 -1.271 55 HG CYS 7 HG CYS 7 3.310 -2.188 -3.480 56 H THR 8 H THR 8 6.525 1.789 -2.302 57 HA THR 8 HA THR 8 7.924 1.329 -4.831 58 HB THR 8 HB THR 8 9.611 2.828 -3.202 59 HG1 THR 8 1HG THR 8 6.919 3.730 -2.905 60 HG21 THR 8 3HG2 THR 8 7.654 4.205 -4.982 61 HG22 THR 8 1HG2 THR 8 8.749 3.017 -5.688 62 HG23 THR 8 2HG2 THR 8 9.399 4.423 -4.843 63 H LYS 9 H LYS 9 9.963 0.373 -4.941 64 HA LYS 9 HA LYS 9 10.423 -1.867 -3.384 65 HB2 LYS 9 1HB LYS 9 12.312 -0.220 -5.061 66 HB3 LYS 9 2HB LYS 9 12.791 -1.732 -4.301 67 HG2 LYS 9 1HG LYS 9 10.416 -2.313 -5.640 68 HG3 LYS 9 2HG LYS 9 11.335 -1.284 -6.741 69 HD2 LYS 9 1HD LYS 9 12.364 -3.784 -5.399 70 HD3 LYS 9 2HD LYS 9 11.840 -3.661 -7.080 71 HE2 LYS 9 1HE LYS 9 13.596 -1.920 -7.420 72 HE3 LYS 9 2HE LYS 9 14.172 -2.255 -5.788 73 HZ1 LYS 9 3HZ LYS 9 15.000 -3.513 -8.040 74 HZ2 LYS 9 1HZ LYS 9 13.893 -4.617 -7.393 75 HZ3 LYS 9 2HZ LYS 9 15.206 -4.092 -6.465 76 H SER 10 H SER 10 12.462 1.060 -3.312 77 HA SER 10 HA SER 10 13.837 0.415 -0.976 78 HB2 SER 10 1HB SER 10 13.998 3.074 -0.869 79 HB3 SER 10 2HB SER 10 14.871 2.142 -2.084 80 HG SER 10 HG SER 10 13.754 3.839 -3.066 81 H LYS 11 H LYS 11 10.936 2.422 -1.404 82 HA LYS 11 HA LYS 11 10.506 2.296 1.507 83 HB2 LYS 11 1HB LYS 11 10.329 4.455 -0.382 84 HB3 LYS 11 2HB LYS 11 8.754 4.191 0.353 85 HG2 LYS 11 1HG LYS 11 10.076 5.849 1.569 86 HG3 LYS 11 2HG LYS 11 9.708 4.438 2.564 87 HD2 LYS 11 1HD LYS 11 11.939 3.551 2.162 88 HD3 LYS 11 2HD LYS 11 12.309 4.917 1.107 89 HE2 LYS 11 1HE LYS 11 11.363 5.596 3.817 90 HE3 LYS 11 2HE LYS 11 12.942 4.817 3.728 91 HZ1 LYS 11 3HZ LYS 11 13.625 6.530 2.136 92 HZ2 LYS 11 1HZ LYS 11 13.181 7.197 3.625 93 HZ3 LYS 11 2HZ LYS 11 12.125 7.294 2.308 94 H ASN 12 H ASN 12 9.363 0.419 1.714 95 HA ASN 12 HA ASN 12 7.181 -0.231 -0.045 96 HB2 ASN 12 1HB ASN 12 8.620 -1.962 1.027 97 HB3 ASN 12 2HB ASN 12 7.939 -1.513 2.587 98 HD21 ASN 12 2HD2 ASN 12 6.987 -3.453 3.008 99 HD22 ASN 12 1HD2 ASN 12 5.648 -4.073 2.108 100 H GLU 13 H GLU 13 6.002 1.796 0.317 101 HA GLU 13 HA GLU 13 4.242 1.561 2.660 102 HB2 GLU 13 1HB GLU 13 4.271 3.895 3.062 103 HB3 GLU 13 2HB GLU 13 5.954 3.417 2.885 104 HG2 GLU 13 1HG GLU 13 5.613 4.104 0.404 105 HG3 GLU 13 2HG GLU 13 4.235 5.004 1.037 106 H CYS 14 H CYS 14 2.097 2.252 2.358 107 HA CYS 14 HA CYS 14 1.151 1.951 -0.343 108 HB2 CYS 14 1HB CYS 14 0.103 1.407 2.163 109 HB3 CYS 14 2HB CYS 14 -0.842 2.788 1.617 110 HG CYS 14 HG CYS 14 -0.952 1.073 -0.979 111 H LYS 15 H LYS 15 1.039 3.571 -1.734 112 HA LYS 15 HA LYS 15 0.474 6.275 -0.705 113 HB2 LYS 15 1HB LYS 15 2.716 6.232 -1.558 114 HB3 LYS 15 2HB LYS 15 2.202 5.413 -3.025 115 HG2 LYS 15 1HG LYS 15 0.884 7.431 -3.623 116 HG3 LYS 15 2HG LYS 15 1.573 8.243 -2.215 117 HD2 LYS 15 1HD LYS 15 3.846 7.481 -3.289 118 HD3 LYS 15 2HD LYS 15 2.881 7.414 -4.766 119 HE2 LYS 15 1HE LYS 15 2.184 9.830 -3.581 120 HE3 LYS 15 2HE LYS 15 3.925 9.705 -3.333 121 HZ1 LYS 15 3HZ LYS 15 3.073 8.985 -5.986 122 HZ2 LYS 15 1HZ LYS 15 4.326 10.008 -5.493 123 HZ3 LYS 15 2HZ LYS 15 2.742 10.595 -5.586 124 H TYR 16 H TYR 16 -1.752 6.148 -0.968 125 HA TYR 16 HA TYR 16 -2.658 6.073 -3.770 126 HB2 TYR 16 1HB TYR 16 -4.730 5.006 -3.059 127 HB3 TYR 16 2HB TYR 16 -3.351 4.024 -2.578 128 HD1 TYR 16 1HD TYR 16 -2.490 4.404 -0.136 129 HD2 TYR 16 2HD TYR 16 -6.369 5.501 -1.497 130 HE1 TYR 16 1HE TYR 16 -3.299 4.401 2.186 131 HE2 TYR 16 2HE TYR 16 -7.189 5.502 0.822 132 HH TYR 16 HH TYR 16 -6.240 5.757 3.110 133 H LYS 17 H LYS 17 -5.004 7.029 -3.856 134 HA LYS 17 HA LYS 17 -4.862 9.637 -2.522 135 HB2 LYS 17 1HB LYS 17 -4.978 9.887 -4.877 136 HB3 LYS 17 2HB LYS 17 -6.255 8.685 -5.018 137 HG2 LYS 17 1HG LYS 17 -7.874 10.143 -4.139 138 HG3 LYS 17 2HG LYS 17 -6.650 11.269 -3.545 139 HD2 LYS 17 1HD LYS 17 -7.275 12.378 -5.436 140 HD3 LYS 17 2HD LYS 17 -6.018 11.347 -6.122 141 HE2 LYS 17 1HE LYS 17 -7.497 10.093 -7.283 142 HE3 LYS 17 2HE LYS 17 -8.722 10.178 -6.018 143 HZ1 LYS 17 3HZ LYS 17 -8.063 12.392 -7.885 144 HZ2 LYS 17 1HZ LYS 17 -9.298 12.387 -6.729 145 HZ3 LYS 17 2HZ LYS 17 -9.379 11.342 -8.057 146 H ASN 18 H ASN 18 -6.071 9.897 -0.773 147 HA ASN 18 HA ASN 18 -8.648 8.475 -0.622 148 HB2 ASN 18 1HB ASN 18 -8.348 8.064 1.638 149 HB3 ASN 18 2HB ASN 18 -6.699 7.909 1.036 150 HD21 ASN 18 2HD2 ASN 18 -5.480 10.057 1.020 151 HD22 ASN 18 1HD2 ASN 18 -5.630 11.017 2.450 152 H ASP 19 H ASP 19 -10.353 9.565 0.560 153 HA ASP 19 HA ASP 19 -11.643 11.355 1.141 154 HB2 ASP 19 1HB ASP 19 -9.447 12.034 2.341 155 HB3 ASP 19 2HB ASP 19 -9.243 13.161 1.002 156 H ALA 20 H ALA 20 -9.144 12.902 -0.873 157 HA ALA 20 HA ALA 20 -10.588 12.923 -3.265 158 HB1 ALA 20 1HB ALA 20 -11.832 14.570 -1.493 159 HB2 ALA 20 2HB ALA 20 -10.757 15.694 -2.326 160 HB3 ALA 20 3HB ALA 20 -11.914 14.733 -3.248 161 H GLY 21 H GLY 21 -7.924 12.553 -2.491 162 HA2 GLY 21 1HA GLY 21 -6.085 13.130 -3.977 163 HA3 GLY 21 2HA GLY 21 -6.644 14.795 -3.923 164 H LYS 22 H LYS 22 -6.745 13.128 -0.945 165 HA LYS 22 HA LYS 22 -4.731 14.865 0.157 166 HB2 LYS 22 1HB LYS 22 -6.705 12.914 1.232 167 HB3 LYS 22 2HB LYS 22 -5.298 13.275 2.224 168 HG2 LYS 22 1HG LYS 22 -6.553 15.669 1.160 169 HG3 LYS 22 2HG LYS 22 -7.650 14.701 2.148 170 HD2 LYS 22 1HD LYS 22 -5.745 14.622 3.856 171 HD3 LYS 22 2HD LYS 22 -5.018 15.929 2.918 172 HE2 LYS 22 1HE LYS 22 -7.010 17.291 3.251 173 HE3 LYS 22 2HE LYS 22 -7.774 15.977 4.146 174 HZ1 LYS 22 3HZ LYS 22 -5.412 16.331 5.433 175 HZ2 LYS 22 1HZ LYS 22 -6.907 16.944 5.937 176 HZ3 LYS 22 2HZ LYS 22 -5.855 17.914 5.034 177 H ASP 23 H ASP 23 -2.656 14.405 -0.196 178 HA ASP 23 HA ASP 23 -1.614 11.885 -0.830 179 HB2 ASP 23 1HB ASP 23 -0.523 14.536 -0.144 180 HB3 ASP 23 2HB ASP 23 0.547 13.184 0.212 181 H THR 24 H THR 24 -2.128 10.260 0.566 182 HA THR 24 HA THR 24 -1.113 10.521 3.323 183 HB THR 24 HB THR 24 -3.456 8.882 2.339 184 HG1 THR 24 1HG THR 24 -3.193 11.232 3.904 185 HG21 THR 24 3HG2 THR 24 -3.761 8.267 4.705 186 HG22 THR 24 1HG2 THR 24 -2.248 9.079 5.101 187 HG23 THR 24 2HG2 THR 24 -2.239 7.659 4.056 188 H PHE 25 H PHE 25 0.343 9.068 4.005 189 HA PHE 25 HA PHE 25 0.843 6.716 2.300 190 HB2 PHE 25 1HB PHE 25 2.882 8.403 3.767 191 HB3 PHE 25 2HB PHE 25 3.239 6.925 2.880 192 HD1 PHE 25 2HD PHE 25 1.865 10.348 2.471 193 HD2 PHE 25 1HD PHE 25 3.713 6.998 0.604 194 HE1 PHE 25 2HE PHE 25 2.161 11.663 0.413 195 HE2 PHE 25 1HE PHE 25 4.013 8.308 -1.456 196 HZ PHE 25 HZ PHE 25 3.237 10.643 -1.554 197 H ILE 26 H ILE 26 1.327 4.784 3.309 198 HA ILE 26 HA ILE 26 1.640 4.646 6.175 199 HB ILE 26 HB ILE 26 -0.767 4.793 6.085 200 HG12 ILE 26 1HG1 ILE 26 -0.694 1.904 6.469 201 HG13 ILE 26 2HG1 ILE 26 0.661 2.714 7.248 202 HG21 ILE 26 1HG2 ILE 26 -2.156 3.393 4.770 203 HG22 ILE 26 2HG2 ILE 26 -0.918 4.036 3.691 204 HG23 ILE 26 3HG2 ILE 26 -0.795 2.381 4.289 205 HD11 ILE 26 3HD1 ILE 26 -1.230 2.444 8.757 206 HD12 ILE 26 1HD1 ILE 26 -0.877 4.146 8.462 207 HD13 ILE 26 2HD1 ILE 26 -2.245 3.376 7.657 208 H LYS 27 H LYS 27 3.126 3.142 6.505 209 HA LYS 27 HA LYS 27 4.188 1.440 4.623 210 HB2 LYS 27 1HB LYS 27 4.191 1.487 7.603 211 HB3 LYS 27 2HB LYS 27 4.791 0.041 6.803 212 HG2 LYS 27 1HG LYS 27 6.231 1.714 5.434 213 HG3 LYS 27 2HG LYS 27 5.888 2.815 6.770 214 HD2 LYS 27 1HD LYS 27 6.987 1.459 8.324 215 HD3 LYS 27 2HD LYS 27 6.924 0.045 7.269 216 HE2 LYS 27 1HE LYS 27 8.886 0.562 6.356 217 HE3 LYS 27 2HE LYS 27 8.342 2.199 5.990 218 HZ1 LYS 27 3HZ LYS 27 10.133 2.503 7.410 219 HZ2 LYS 27 1HZ LYS 27 9.703 1.211 8.416 220 HZ3 LYS 27 2HZ LYS 27 8.805 2.643 8.448 221 H CYS 28 H CYS 28 4.036 -0.818 4.255 222 HA CYS 28 HA CYS 28 1.404 -1.945 4.952 223 HB2 CYS 28 1HB CYS 28 3.076 -2.202 2.461 224 HB3 CYS 28 2HB CYS 28 1.807 -3.360 2.841 225 HG CYS 28 HG CYS 28 -0.209 -1.927 2.088 226 HA PRO 29 HA PRO 29 3.315 -5.360 6.931 227 HB2 PRO 29 1HB PRO 29 1.639 -7.391 6.276 228 HB3 PRO 29 2HB PRO 29 1.203 -6.118 7.423 229 HG2 PRO 29 1HG PRO 29 0.486 -6.388 4.528 230 HG3 PRO 29 2HG PRO 29 -0.535 -5.899 5.894 231 HD2 PRO 29 1HD PRO 29 0.551 -4.112 4.175 232 HD3 PRO 29 2HD PRO 29 0.273 -3.741 5.888 233 H LYS 30 H LYS 30 4.819 -6.927 6.570 234 HA LYS 30 HA LYS 30 4.939 -8.442 4.146 235 HB2 LYS 30 1HB LYS 30 7.075 -7.571 3.329 236 HB3 LYS 30 2HB LYS 30 5.838 -6.321 3.316 237 HG2 LYS 30 1HG LYS 30 7.677 -6.571 5.655 238 HG3 LYS 30 2HG LYS 30 8.221 -5.774 4.176 239 HD2 LYS 30 1HD LYS 30 5.972 -4.463 4.402 240 HD3 LYS 30 2HD LYS 30 6.074 -4.966 6.091 241 HE2 LYS 30 1HE LYS 30 8.062 -3.789 6.441 242 HE3 LYS 30 2HE LYS 30 8.400 -3.664 4.715 243 HZ1 LYS 30 3HZ LYS 30 6.061 -2.367 4.915 244 HZ2 LYS 30 1HZ LYS 30 7.575 -1.613 4.958 245 HZ3 LYS 30 2HZ LYS 30 6.769 -1.977 6.401 246 H PHE 31 H PHE 31 4.757 -9.368 6.654 247 HA PHE 31 HA PHE 31 7.343 -9.900 7.798 248 HB2 PHE 31 1HB PHE 31 5.874 -11.577 9.177 249 HB3 PHE 31 2HB PHE 31 5.714 -9.844 9.444 250 HD1 PHE 31 1HD PHE 31 4.170 -12.790 7.866 251 HD2 PHE 31 2HD PHE 31 3.698 -8.700 8.943 252 HE1 PHE 31 1HE PHE 31 1.763 -12.943 7.381 253 HE2 PHE 31 2HE PHE 31 1.290 -8.847 8.461 254 HZ PHE 31 HZ PHE 31 0.319 -10.971 7.680 255 H ASP 32 H ASP 32 7.916 -10.729 5.481 256 HA ASP 32 HA ASP 32 8.696 -12.485 4.260 257 HB2 ASP 32 1HB ASP 32 7.802 -14.331 6.468 258 HB3 ASP 32 2HB ASP 32 9.125 -14.555 5.328 259 H ASN 33 H ASN 33 6.592 -11.754 3.128 260 HA ASN 33 HA ASN 33 5.355 -13.994 2.018 261 HB2 ASN 33 1HB ASN 33 4.271 -13.529 4.489 262 HB3 ASN 33 2HB ASN 33 3.180 -12.621 3.447 263 HD21 ASN 33 2HD2 ASN 33 4.553 -15.778 4.087 264 HD22 ASN 33 1HD2 ASN 33 3.307 -16.688 3.310 265 H LYS 34 H LYS 34 5.196 -10.579 2.767 266 HA LYS 34 HA LYS 34 4.317 -10.072 0.011 267 HB2 LYS 34 1HB LYS 34 3.308 -8.438 2.333 268 HB3 LYS 34 2HB LYS 34 2.741 -8.424 0.669 269 HG2 LYS 34 1HG LYS 34 1.115 -9.762 1.386 270 HG3 LYS 34 2HG LYS 34 2.341 -11.031 1.412 271 HD2 LYS 34 1HD LYS 34 1.571 -11.207 3.556 272 HD3 LYS 34 2HD LYS 34 2.834 -9.999 3.801 273 HE2 LYS 34 1HE LYS 34 1.336 -8.294 4.094 274 HE3 LYS 34 2HE LYS 34 0.107 -9.055 3.084 275 HZ1 LYS 34 3HZ LYS 34 -0.816 -10.001 4.852 276 HZ2 LYS 34 1HZ LYS 34 0.169 -9.024 5.819 277 HZ3 LYS 34 2HZ LYS 34 0.663 -10.591 5.423 278 H LYS 35 H LYS 35 6.925 -10.011 0.636 279 HA LYS 35 HA LYS 35 7.772 -7.393 1.480 280 HB2 LYS 35 1HB LYS 35 9.001 -9.956 0.986 281 HB3 LYS 35 2HB LYS 35 9.907 -8.683 0.178 282 HG2 LYS 35 1HG LYS 35 10.601 -7.752 2.116 283 HG3 LYS 35 2HG LYS 35 9.116 -8.165 2.975 284 HD2 LYS 35 1HD LYS 35 9.824 -10.417 3.280 285 HD3 LYS 35 2HD LYS 35 11.181 -10.206 2.172 286 HE2 LYS 35 1HE LYS 35 12.267 -10.008 4.174 287 HE3 LYS 35 2HE LYS 35 11.846 -8.320 3.887 288 HZ1 LYS 35 3HZ LYS 35 10.779 -8.336 5.811 289 HZ2 LYS 35 1HZ LYS 35 11.080 -9.987 6.025 290 HZ3 LYS 35 2HZ LYS 35 9.693 -9.481 5.200 291 H CYS 36 H CYS 36 8.161 -5.659 0.250 292 HA CYS 36 HA CYS 36 7.311 -5.529 -2.421 293 HB2 CYS 36 1HB CYS 36 7.563 -3.628 -0.710 294 HB3 CYS 36 2HB CYS 36 9.256 -3.588 -1.187 295 HG CYS 36 HG CYS 36 7.455 -1.591 -2.407 296 H THR 37 H THR 37 8.344 -5.682 -4.343 297 HA THR 37 HA THR 37 11.232 -5.788 -4.492 298 HB THR 37 HB THR 37 11.079 -8.012 -5.790 299 HG1 THR 37 1HG THR 37 9.214 -9.000 -5.736 300 HG21 THR 37 3HG2 THR 37 10.566 -8.384 -2.866 301 HG22 THR 37 1HG2 THR 37 12.003 -7.515 -3.402 302 HG23 THR 37 2HG2 THR 37 11.743 -9.185 -3.905 303 H LYS 38 H LYS 38 9.398 -3.978 -5.568 304 HA LYS 38 HA LYS 38 10.219 -3.832 -8.232 305 HB2 LYS 38 1HB LYS 38 8.787 -5.656 -8.767 306 HB3 LYS 38 2HB LYS 38 7.467 -4.993 -7.813 307 HG2 LYS 38 1HG LYS 38 7.072 -4.739 -10.206 308 HG3 LYS 38 2HG LYS 38 7.203 -3.175 -9.400 309 HD2 LYS 38 1HD LYS 38 8.922 -2.585 -10.687 310 HD3 LYS 38 2HD LYS 38 9.787 -4.075 -10.305 311 HE2 LYS 38 1HE LYS 38 7.540 -4.431 -12.148 312 HE3 LYS 38 2HE LYS 38 8.822 -3.392 -12.770 313 HZ1 LYS 38 3HZ LYS 38 9.771 -5.314 -13.354 314 HZ2 LYS 38 1HZ LYS 38 8.827 -6.237 -12.296 315 HZ3 LYS 38 2HZ LYS 38 10.208 -5.446 -11.724 316 H ASP 39 H ASP 39 10.160 -1.740 -8.711 317 HA ASP 39 HA ASP 39 9.137 0.232 -7.084 318 HB2 ASP 39 1HB ASP 39 9.199 1.643 -9.280 319 HB3 ASP 39 2HB ASP 39 10.700 0.996 -8.623 320 H ASN 40 H ASN 40 7.149 0.864 -6.602 321 HA ASN 40 HA ASN 40 4.904 1.212 -6.691 322 HB2 ASN 40 1HB ASN 40 5.745 1.494 -9.537 323 HB3 ASN 40 2HB ASN 40 4.020 1.376 -9.200 324 HD21 ASN 40 2HD2 ASN 40 6.642 2.903 -7.379 325 HD22 ASN 40 1HD2 ASN 40 5.961 4.492 -7.397 326 H ASN 41 H ASN 41 5.185 -1.189 -5.947 327 HA ASN 41 HA ASN 41 4.325 -3.236 -7.725 328 HB2 ASN 41 1HB ASN 41 5.429 -3.151 -5.180 329 HB3 ASN 41 2HB ASN 41 3.802 -3.770 -4.907 330 HD21 ASN 41 2HD2 ASN 41 6.770 -4.798 -5.176 331 HD22 ASN 41 1HD2 ASN 41 6.552 -6.289 -6.022 332 H LYS 42 H LYS 42 2.396 -4.608 -6.262 333 HA LYS 42 HA LYS 42 0.052 -2.886 -6.697 334 HB2 LYS 42 1HB LYS 42 0.642 -5.377 -7.738 335 HB3 LYS 42 2HB LYS 42 -0.460 -5.751 -6.419 336 HG2 LYS 42 1HG LYS 42 -2.232 -4.808 -7.449 337 HG3 LYS 42 2HG LYS 42 -1.261 -3.538 -8.196 338 HD2 LYS 42 1HD LYS 42 -1.999 -4.894 -9.976 339 HD3 LYS 42 2HD LYS 42 -0.316 -5.354 -9.703 340 HE2 LYS 42 1HE LYS 42 -1.095 -7.266 -8.351 341 HE3 LYS 42 2HE LYS 42 -2.761 -6.823 -8.718 342 HZ1 LYS 42 3HZ LYS 42 -2.606 -7.615 -10.808 343 HZ2 LYS 42 1HZ LYS 42 -1.380 -8.573 -10.144 344 HZ3 LYS 42 2HZ LYS 42 -0.985 -7.167 -10.996 345 H CYS 43 H CYS 43 -0.687 -2.055 -4.856 346 HA CYS 43 HA CYS 43 -0.637 -3.723 -2.434 347 HB2 CYS 43 1HB CYS 43 -0.306 -0.825 -2.929 348 HB3 CYS 43 2HB CYS 43 -1.248 -1.252 -1.504 349 HG CYS 43 HG CYS 43 1.614 -2.958 -1.767 350 H THR 44 H THR 44 -2.491 -2.721 -0.859 351 HA THR 44 HA THR 44 -4.986 -2.260 -2.231 352 HB THR 44 HB THR 44 -5.678 -4.425 -0.592 353 HG1 THR 44 1HG THR 44 -3.270 -4.856 -0.947 354 HG21 THR 44 3HG2 THR 44 -5.866 -5.500 -3.026 355 HG22 THR 44 1HG2 THR 44 -5.611 -3.820 -3.496 356 HG23 THR 44 2HG2 THR 44 -6.973 -4.250 -2.460 357 H VAL 45 H VAL 45 -6.551 -1.392 -0.909 358 HA VAL 45 HA VAL 45 -6.140 -1.378 1.975 359 HB VAL 45 HB VAL 45 -6.234 1.157 0.336 360 HG11 VAL 45 1HG1 VAL 45 -6.385 0.772 3.323 361 HG12 VAL 45 2HG1 VAL 45 -6.137 2.323 2.518 362 HG13 VAL 45 3HG1 VAL 45 -7.640 1.432 2.275 363 HG21 VAL 45 3HG2 VAL 45 -4.141 0.062 2.213 364 HG22 VAL 45 1HG2 VAL 45 -4.025 0.138 0.456 365 HG23 VAL 45 2HG2 VAL 45 -4.076 1.627 1.402 366 H ASP 46 H ASP 46 -8.048 -2.189 2.584 367 HA ASP 46 HA ASP 46 -10.491 -1.567 1.188 368 HB2 ASP 46 1HB ASP 46 -9.776 -3.765 2.465 369 HB3 ASP 46 2HB ASP 46 -10.472 -2.928 3.850 370 H THR 47 H THR 47 -12.230 -0.383 1.949 371 HA THR 47 HA THR 47 -11.543 1.677 3.890 372 HB THR 47 HB THR 47 -13.416 2.907 3.097 373 HG1 THR 47 1HG THR 47 -15.098 2.000 2.060 374 HG21 THR 47 3HG2 THR 47 -11.370 2.418 1.516 375 HG22 THR 47 1HG2 THR 47 -12.769 3.313 0.925 376 HG23 THR 47 2HG2 THR 47 -12.593 1.600 0.543 377 H TYR 48 H TYR 48 -13.372 -1.216 3.705 378 HA TYR 48 HA TYR 48 -15.444 -0.818 5.479 379 HB2 TYR 48 1HB TYR 48 -15.036 -2.904 4.184 380 HB3 TYR 48 2HB TYR 48 -13.733 -3.306 5.297 381 HD1 TYR 48 1HD TYR 48 -14.319 -3.633 7.754 382 HD2 TYR 48 2HD TYR 48 -17.256 -3.479 4.679 383 HE1 TYR 48 1HE TYR 48 -15.931 -4.741 9.245 384 HE2 TYR 48 2HE TYR 48 -18.876 -4.584 6.162 385 HH TYR 48 HH TYR 48 -18.593 -6.230 8.294 386 H ASN 49 H ASN 49 -12.095 -1.748 6.220 387 HA ASN 49 HA ASN 49 -12.290 -0.466 8.805 388 HB2 ASN 49 1HB ASN 49 -11.515 -2.513 10.027 389 HB3 ASN 49 2HB ASN 49 -13.163 -2.624 9.415 390 HD21 ASN 49 2HD2 ASN 49 -12.483 -4.945 9.892 391 HD22 ASN 49 1HD2 ASN 49 -11.833 -5.830 8.557 392 H ASN 50 H ASN 50 -10.759 0.102 6.522 393 HA ASN 50 HA ASN 50 -8.631 0.501 5.809 394 HB2 ASN 50 1HB ASN 50 -8.476 0.605 8.790 395 HB3 ASN 50 2HB ASN 50 -6.975 0.686 7.870 396 HD21 ASN 50 2HD2 ASN 50 -6.408 2.550 6.937 397 HD22 ASN 50 1HD2 ASN 50 -7.375 3.981 6.925 398 H ALA 51 H ALA 51 -9.047 -1.936 5.132 399 HA ALA 51 HA ALA 51 -7.229 -3.801 6.401 400 HB1 ALA 51 1HB ALA 51 -9.570 -4.188 5.163 401 HB2 ALA 51 2HB ALA 51 -8.477 -4.488 3.812 402 HB3 ALA 51 3HB ALA 51 -8.330 -5.436 5.291 403 H VAL 52 H VAL 52 -5.176 -2.961 6.059 404 HA VAL 52 HA VAL 52 -4.278 -2.268 3.407 405 HB VAL 52 HB VAL 52 -2.575 -2.651 5.867 406 HG11 VAL 52 1HG1 VAL 52 -1.925 -2.119 3.204 407 HG12 VAL 52 2HG1 VAL 52 -1.778 -0.572 4.040 408 HG13 VAL 52 3HG1 VAL 52 -0.871 -1.973 4.610 409 HG21 VAL 52 3HG2 VAL 52 -2.811 -0.064 5.914 410 HG22 VAL 52 1HG2 VAL 52 -4.301 -0.362 5.019 411 HG23 VAL 52 2HG2 VAL 52 -4.080 -1.064 6.622 412 H ASP 53 H ASP 53 -3.066 -3.466 2.036 413 HA ASP 53 HA ASP 53 -1.890 -5.973 2.913 414 HB2 ASP 53 1HB ASP 53 -4.267 -5.791 1.116 415 HB3 ASP 53 2HB ASP 53 -3.050 -7.017 0.769 416 H CYS 54 H CYS 54 0.039 -6.177 2.001 417 HA CYS 54 HA CYS 54 0.770 -4.444 -0.205 418 HB2 CYS 54 1HB CYS 54 2.156 -5.113 1.958 419 HB3 CYS 54 2HB CYS 54 2.667 -6.447 0.931 420 HG CYS 54 HG CYS 54 3.489 -3.197 0.785 421 H ASP 55 H ASP 55 2.168 -5.384 -1.972 422 HA ASP 55 HA ASP 55 0.701 -7.245 -3.461 423 HB2 ASP 55 1HB ASP 55 2.119 -6.699 -5.126 424 HB3 ASP 55 2HB ASP 55 2.763 -5.517 -3.990 Start of MODEL 19 1 H1 ALA 1 H ALA 1 -13.987 1.509 2.834 2 HA ALA 1 HA ALA 1 -14.993 0.594 0.218 3 HB1 ALA 1 1HB ALA 1 -13.367 2.926 -0.068 4 HB2 ALA 1 2HB ALA 1 -15.061 2.691 -0.503 5 HB3 ALA 1 3HB ALA 1 -14.635 3.242 1.117 6 H LYS 2 H LYS 2 -12.951 1.262 -1.405 7 HA LYS 2 HA LYS 2 -10.545 0.025 -0.259 8 HB2 LYS 2 1HB LYS 2 -11.902 -0.758 -2.843 9 HB3 LYS 2 2HB LYS 2 -10.276 -1.261 -2.397 10 HG2 LYS 2 1HG LYS 2 -11.366 -2.214 -0.280 11 HG3 LYS 2 2HG LYS 2 -12.888 -2.035 -1.155 12 HD2 LYS 2 1HD LYS 2 -10.692 -3.351 -2.626 13 HD3 LYS 2 2HD LYS 2 -11.354 -4.249 -1.258 14 HE2 LYS 2 1HE LYS 2 -13.597 -4.036 -2.196 15 HE3 LYS 2 2HE LYS 2 -12.955 -3.103 -3.546 16 HZ1 LYS 2 3HZ LYS 2 -11.840 -4.965 -4.386 17 HZ2 LYS 2 1HZ LYS 2 -13.366 -5.547 -3.947 18 HZ3 LYS 2 2HZ LYS 2 -12.030 -5.851 -2.957 19 H TYR 3 H TYR 3 -8.608 0.344 -1.640 20 HA TYR 3 HA TYR 3 -8.764 2.598 -3.485 21 HB2 TYR 3 1HB TYR 3 -7.076 2.597 -0.979 22 HB3 TYR 3 2HB TYR 3 -6.861 3.732 -2.308 23 HD1 TYR 3 1HD TYR 3 -8.568 5.441 -2.769 24 HD2 TYR 3 2HD TYR 3 -8.904 2.819 0.566 25 HE1 TYR 3 1HE TYR 3 -10.261 6.926 -1.780 26 HE2 TYR 3 2HE TYR 3 -10.599 4.296 1.563 27 HH TYR 3 HH TYR 3 -11.941 6.063 1.209 28 H THR 4 H THR 4 -7.526 2.241 -5.201 29 HA THR 4 HA THR 4 -5.501 0.122 -5.047 30 HB THR 4 HB THR 4 -7.284 -0.115 -6.760 31 HG1 THR 4 1HG THR 4 -5.794 -0.576 -8.463 32 HG21 THR 4 3HG2 THR 4 -7.557 2.296 -7.248 33 HG22 THR 4 1HG2 THR 4 -7.306 1.335 -8.704 34 HG23 THR 4 2HG2 THR 4 -5.982 2.291 -8.041 35 H GLY 5 H GLY 5 -3.383 0.508 -5.377 36 HA2 GLY 5 1HA GLY 5 -2.512 2.972 -6.652 37 HA3 GLY 5 2HA GLY 5 -2.102 2.814 -4.950 38 H LYS 6 H LYS 6 0.001 2.384 -4.833 39 HA LYS 6 HA LYS 6 1.041 -0.073 -5.800 40 HB2 LYS 6 1HB LYS 6 2.907 1.410 -7.096 41 HB3 LYS 6 2HB LYS 6 1.542 0.632 -7.888 42 HG2 LYS 6 1HG LYS 6 0.384 2.607 -8.132 43 HG3 LYS 6 2HG LYS 6 1.240 3.396 -6.806 44 HD2 LYS 6 1HD LYS 6 3.043 2.603 -8.932 45 HD3 LYS 6 2HD LYS 6 1.764 3.668 -9.520 46 HE2 LYS 6 1HE LYS 6 2.424 4.972 -7.275 47 HE3 LYS 6 2HE LYS 6 3.972 4.205 -7.624 48 HZ1 LYS 6 3HZ LYS 6 3.083 5.231 -10.023 49 HZ2 LYS 6 1HZ LYS 6 4.334 5.836 -9.058 50 HZ3 LYS 6 2HZ LYS 6 2.764 6.439 -8.882 51 H CYS 7 H CYS 7 3.228 -0.456 -5.101 52 HA CYS 7 HA CYS 7 4.197 1.489 -3.114 53 HB2 CYS 7 1HB CYS 7 5.005 -0.622 -1.852 54 HB3 CYS 7 2HB CYS 7 3.306 -0.178 -1.742 55 HG CYS 7 HG CYS 7 3.202 -2.874 -1.936 56 H THR 8 H THR 8 6.445 1.580 -2.798 57 HA THR 8 HA THR 8 7.974 0.730 -5.129 58 HB THR 8 HB THR 8 9.626 2.294 -4.510 59 HG1 THR 8 1HG THR 8 8.413 2.770 -1.998 60 HG21 THR 8 3HG2 THR 8 8.469 4.308 -4.531 61 HG22 THR 8 1HG2 THR 8 7.205 3.709 -3.458 62 HG23 THR 8 2HG2 THR 8 7.262 3.176 -5.138 63 H LYS 9 H LYS 9 9.736 -0.613 -5.074 64 HA LYS 9 HA LYS 9 9.808 -2.729 -3.311 65 HB2 LYS 9 1HB LYS 9 12.232 -2.992 -4.121 66 HB3 LYS 9 2HB LYS 9 10.957 -3.032 -5.331 67 HG2 LYS 9 1HG LYS 9 11.430 -0.787 -6.002 68 HG3 LYS 9 2HG LYS 9 12.566 -0.577 -4.667 69 HD2 LYS 9 1HD LYS 9 12.887 -2.555 -6.923 70 HD3 LYS 9 2HD LYS 9 13.692 -0.987 -6.828 71 HE2 LYS 9 1HE LYS 9 14.687 -1.729 -4.655 72 HE3 LYS 9 2HE LYS 9 14.017 -3.331 -4.960 73 HZ1 LYS 9 3HZ LYS 9 15.980 -3.683 -5.949 74 HZ2 LYS 9 1HZ LYS 9 16.313 -2.035 -6.144 75 HZ3 LYS 9 2HZ LYS 9 15.315 -2.833 -7.253 76 H SER 10 H SER 10 11.482 0.360 -3.112 77 HA SER 10 HA SER 10 13.075 -0.378 -0.849 78 HB2 SER 10 1HB SER 10 13.544 2.093 -0.735 79 HB3 SER 10 2HB SER 10 13.911 1.353 -2.292 80 HG SER 10 HG SER 10 12.772 3.141 -2.796 81 H LYS 11 H LYS 11 9.944 1.081 -1.346 82 HA LYS 11 HA LYS 11 9.533 1.066 1.567 83 HB2 LYS 11 1HB LYS 11 9.607 3.360 -0.065 84 HB3 LYS 11 2HB LYS 11 7.909 3.082 0.300 85 HG2 LYS 11 1HG LYS 11 8.178 3.479 2.530 86 HG3 LYS 11 2HG LYS 11 9.863 2.953 2.534 87 HD2 LYS 11 1HD LYS 11 9.414 5.303 0.873 88 HD3 LYS 11 2HD LYS 11 8.973 5.565 2.562 89 HE2 LYS 11 1HE LYS 11 11.536 4.177 2.063 90 HE3 LYS 11 2HE LYS 11 11.466 5.881 1.616 91 HZ1 LYS 11 3HZ LYS 11 10.452 5.105 4.249 92 HZ2 LYS 11 1HZ LYS 11 11.217 6.534 3.766 93 HZ3 LYS 11 2HZ LYS 11 12.128 5.133 4.023 94 H ASN 12 H ASN 12 8.211 -0.636 1.808 95 HA ASN 12 HA ASN 12 6.186 -1.289 -0.130 96 HB2 ASN 12 1HB ASN 12 7.288 -3.104 1.020 97 HB3 ASN 12 2HB ASN 12 6.832 -2.444 2.589 98 HD21 ASN 12 2HD2 ASN 12 5.647 -4.128 3.317 99 HD22 ASN 12 1HD2 ASN 12 4.176 -4.663 2.587 100 H GLU 13 H GLU 13 5.146 0.872 0.059 101 HA GLU 13 HA GLU 13 3.007 0.740 2.052 102 HB2 GLU 13 1HB GLU 13 3.227 3.002 2.722 103 HB3 GLU 13 2HB GLU 13 4.839 2.306 2.826 104 HG2 GLU 13 1HG GLU 13 4.922 3.269 0.323 105 HG3 GLU 13 2HG GLU 13 3.793 4.409 1.050 106 H CYS 14 H CYS 14 1.083 1.843 1.451 107 HA CYS 14 HA CYS 14 0.798 2.093 -1.447 108 HB2 CYS 14 1HB CYS 14 -0.801 0.628 -0.389 109 HB3 CYS 14 2HB CYS 14 -1.241 1.874 0.773 110 HG CYS 14 HG CYS 14 -1.712 2.555 -2.510 111 H LYS 15 H LYS 15 0.968 4.036 -2.325 112 HA LYS 15 HA LYS 15 0.386 6.404 -0.701 113 HB2 LYS 15 1HB LYS 15 1.537 7.634 -2.553 114 HB3 LYS 15 2HB LYS 15 2.553 6.463 -1.723 115 HG2 LYS 15 1HG LYS 15 1.278 5.187 -3.933 116 HG3 LYS 15 2HG LYS 15 2.039 6.682 -4.481 117 HD2 LYS 15 1HD LYS 15 3.481 4.689 -2.752 118 HD3 LYS 15 2HD LYS 15 3.466 4.569 -4.513 119 HE2 LYS 15 1HE LYS 15 4.237 7.140 -3.199 120 HE3 LYS 15 2HE LYS 15 5.405 5.824 -3.301 121 HZ1 LYS 15 3HZ LYS 15 4.583 7.636 -5.317 122 HZ2 LYS 15 1HZ LYS 15 4.290 6.045 -5.814 123 HZ3 LYS 15 2HZ LYS 15 5.846 6.513 -5.345 124 H TYR 16 H TYR 16 -1.951 5.672 -1.014 125 HA TYR 16 HA TYR 16 -3.048 6.428 -3.613 126 HB2 TYR 16 1HB TYR 16 -5.070 5.386 -2.934 127 HB3 TYR 16 2HB TYR 16 -3.776 4.332 -2.375 128 HD1 TYR 16 1HD TYR 16 -3.069 4.507 0.070 129 HD2 TYR 16 2HD TYR 16 -6.662 6.222 -1.431 130 HE1 TYR 16 1HE TYR 16 -3.970 4.605 2.356 131 HE2 TYR 16 2HE TYR 16 -7.572 6.326 0.851 132 HH TYR 16 HH TYR 16 -7.290 5.446 2.988 133 H LYS 17 H LYS 17 -5.505 7.386 -2.987 134 HA LYS 17 HA LYS 17 -5.004 9.778 -1.349 135 HB2 LYS 17 1HB LYS 17 -6.463 9.755 -3.996 136 HB3 LYS 17 2HB LYS 17 -6.157 11.161 -2.984 137 HG2 LYS 17 1HG LYS 17 -4.157 11.472 -3.885 138 HG3 LYS 17 2HG LYS 17 -3.702 9.787 -3.620 139 HD2 LYS 17 1HD LYS 17 -4.171 9.204 -5.741 140 HD3 LYS 17 2HD LYS 17 -5.634 10.190 -5.788 141 HE2 LYS 17 1HE LYS 17 -4.058 12.197 -5.928 142 HE3 LYS 17 2HE LYS 17 -2.790 11.026 -6.284 143 HZ1 LYS 17 3HZ LYS 17 -3.467 11.444 -8.383 144 HZ2 LYS 17 1HZ LYS 17 -5.032 11.894 -7.927 145 HZ3 LYS 17 2HZ LYS 17 -4.619 10.257 -8.027 146 H ASN 18 H ASN 18 -6.549 10.223 0.093 147 HA ASN 18 HA ASN 18 -9.154 8.878 -0.217 148 HB2 ASN 18 1HB ASN 18 -9.202 8.296 2.019 149 HB3 ASN 18 2HB ASN 18 -7.481 8.146 1.678 150 HD21 ASN 18 2HD2 ASN 18 -6.283 10.316 1.969 151 HD22 ASN 18 1HD2 ASN 18 -6.639 11.158 3.436 152 H ASP 19 H ASP 19 -10.880 9.962 1.185 153 HA ASP 19 HA ASP 19 -12.125 11.787 1.756 154 HB2 ASP 19 1HB ASP 19 -9.871 12.476 2.843 155 HB3 ASP 19 2HB ASP 19 -9.716 13.560 1.463 156 H ALA 20 H ALA 20 -9.684 13.210 -0.416 157 HA ALA 20 HA ALA 20 -11.242 13.185 -2.738 158 HB1 ALA 20 1HB ALA 20 -12.798 14.646 -1.741 159 HB2 ALA 20 2HB ALA 20 -11.528 15.660 -1.058 160 HB3 ALA 20 3HB ALA 20 -11.810 15.654 -2.799 161 H GLY 21 H GLY 21 -8.800 12.558 -2.799 162 HA2 GLY 21 1HA GLY 21 -6.979 13.100 -4.182 163 HA3 GLY 21 2HA GLY 21 -7.444 14.792 -4.094 164 H LYS 22 H LYS 22 -7.327 13.084 -1.122 165 HA LYS 22 HA LYS 22 -5.174 14.754 -0.191 166 HB2 LYS 22 1HB LYS 22 -7.339 13.692 1.034 167 HB3 LYS 22 2HB LYS 22 -6.116 12.517 1.502 168 HG2 LYS 22 1HG LYS 22 -4.822 14.838 2.025 169 HG3 LYS 22 2HG LYS 22 -6.494 15.295 2.360 170 HD2 LYS 22 1HD LYS 22 -6.614 13.150 3.746 171 HD3 LYS 22 2HD LYS 22 -4.853 13.122 3.631 172 HE2 LYS 22 1HE LYS 22 -4.796 15.396 4.605 173 HE3 LYS 22 2HE LYS 22 -6.548 15.329 4.796 174 HZ1 LYS 22 3HZ LYS 22 -6.031 14.537 6.813 175 HZ2 LYS 22 1HZ LYS 22 -4.470 14.064 6.363 176 HZ3 LYS 22 2HZ LYS 22 -5.790 13.068 6.010 177 H ASP 23 H ASP 23 -3.577 13.478 1.391 178 HA ASP 23 HA ASP 23 -2.353 11.353 -0.245 179 HB2 ASP 23 1HB ASP 23 -0.881 13.173 1.661 180 HB3 ASP 23 2HB ASP 23 -0.195 12.109 0.436 181 H THR 24 H THR 24 -2.057 9.422 0.663 182 HA THR 24 HA THR 24 -1.937 9.186 3.576 183 HB THR 24 HB THR 24 -3.884 7.622 1.868 184 HG1 THR 24 1HG THR 24 -4.470 9.820 2.548 185 HG21 THR 24 3HG2 THR 24 -3.057 7.351 4.749 186 HG22 THR 24 1HG2 THR 24 -3.085 6.110 3.496 187 HG23 THR 24 2HG2 THR 24 -4.598 6.737 4.149 188 H PHE 25 H PHE 25 -0.393 7.814 4.187 189 HA PHE 25 HA PHE 25 0.482 5.744 2.287 190 HB2 PHE 25 1HB PHE 25 2.297 7.390 4.062 191 HB3 PHE 25 2HB PHE 25 2.800 6.131 2.937 192 HD1 PHE 25 2HD PHE 25 1.261 9.486 3.156 193 HD2 PHE 25 1HD PHE 25 3.176 6.608 0.671 194 HE1 PHE 25 2HE PHE 25 1.474 11.170 1.374 195 HE2 PHE 25 1HE PHE 25 3.392 8.288 -1.114 196 HZ PHE 25 HZ PHE 25 2.539 10.572 -0.764 197 H ILE 26 H ILE 26 0.261 3.781 3.110 198 HA ILE 26 HA ILE 26 0.740 3.376 5.980 199 HB ILE 26 HB ILE 26 -1.647 3.435 5.823 200 HG12 ILE 26 1HG1 ILE 26 -2.234 1.173 6.549 201 HG13 ILE 26 2HG1 ILE 26 -0.752 0.544 5.837 202 HG21 ILE 26 1HG2 ILE 26 -2.309 1.279 4.128 203 HG22 ILE 26 2HG2 ILE 26 -2.675 2.990 3.909 204 HG23 ILE 26 3HG2 ILE 26 -1.190 2.314 3.241 205 HD11 ILE 26 3HD1 ILE 26 -0.723 0.853 8.321 206 HD12 ILE 26 1HD1 ILE 26 0.588 1.644 7.446 207 HD13 ILE 26 2HD1 ILE 26 -0.780 2.592 8.033 208 H LYS 27 H LYS 27 2.477 2.109 6.032 209 HA LYS 27 HA LYS 27 3.354 0.417 3.988 210 HB2 LYS 27 1HB LYS 27 4.132 1.048 6.709 211 HB3 LYS 27 2HB LYS 27 4.363 -0.661 6.363 212 HG2 LYS 27 1HG LYS 27 6.255 -0.174 5.333 213 HG3 LYS 27 2HG LYS 27 5.351 0.763 4.141 214 HD2 LYS 27 1HD LYS 27 6.760 2.384 4.925 215 HD3 LYS 27 2HD LYS 27 5.414 2.589 6.048 216 HE2 LYS 27 1HE LYS 27 6.780 0.760 7.407 217 HE3 LYS 27 2HE LYS 27 8.122 1.456 6.499 218 HZ1 LYS 27 3HZ LYS 27 7.493 3.642 7.350 219 HZ2 LYS 27 1HZ LYS 27 7.853 2.571 8.610 220 HZ3 LYS 27 2HZ LYS 27 6.243 2.946 8.252 221 H CYS 28 H CYS 28 2.421 -1.357 3.236 222 HA CYS 28 HA CYS 28 0.296 -2.716 4.366 223 HB2 CYS 28 1HB CYS 28 2.383 -3.919 2.536 224 HB3 CYS 28 2HB CYS 28 0.731 -4.483 2.759 225 HG CYS 28 HG CYS 28 1.875 -2.304 0.615 226 HA PRO 29 HA PRO 29 1.894 -5.252 7.572 227 HB2 PRO 29 1HB PRO 29 0.254 -7.408 7.390 228 HB3 PRO 29 2HB PRO 29 -0.281 -5.844 8.017 229 HG2 PRO 29 1HG PRO 29 -0.657 -7.020 5.290 230 HG3 PRO 29 2HG PRO 29 -1.819 -6.139 6.299 231 HD2 PRO 29 1HD PRO 29 -0.491 -4.971 4.249 232 HD3 PRO 29 2HD PRO 29 -0.961 -4.083 5.713 233 H LYS 30 H LYS 30 3.921 -5.545 6.293 234 HA LYS 30 HA LYS 30 4.331 -8.385 5.786 235 HB2 LYS 30 1HB LYS 30 5.103 -6.263 3.774 236 HB3 LYS 30 2HB LYS 30 5.501 -7.972 3.666 237 HG2 LYS 30 1HG LYS 30 2.691 -6.900 3.715 238 HG3 LYS 30 2HG LYS 30 3.591 -7.266 2.242 239 HD2 LYS 30 1HD LYS 30 3.506 -9.534 2.591 240 HD3 LYS 30 2HD LYS 30 3.371 -9.367 4.343 241 HE2 LYS 30 1HE LYS 30 1.076 -8.157 3.410 242 HE3 LYS 30 2HE LYS 30 1.291 -9.518 2.309 243 HZ1 LYS 30 3HZ LYS 30 -0.032 -10.156 4.213 244 HZ2 LYS 30 1HZ LYS 30 1.196 -9.676 5.273 245 HZ3 LYS 30 2HZ LYS 30 1.441 -10.987 4.233 246 H PHE 31 H PHE 31 5.265 -7.565 7.990 247 HA PHE 31 HA PHE 31 7.870 -6.310 7.733 248 HB2 PHE 31 1HB PHE 31 6.674 -7.459 10.251 249 HB3 PHE 31 2HB PHE 31 7.905 -6.208 10.106 250 HD1 PHE 31 1HD PHE 31 7.274 -3.944 9.330 251 HD2 PHE 31 2HD PHE 31 4.367 -6.939 10.160 252 HE1 PHE 31 1HE PHE 31 5.529 -2.213 9.445 253 HE2 PHE 31 2HE PHE 31 2.617 -5.214 10.276 254 HZ PHE 31 HZ PHE 31 3.197 -2.848 9.917 255 H ASP 32 H ASP 32 9.282 -7.688 6.776 256 HA ASP 32 HA ASP 32 10.682 -9.460 6.494 257 HB2 ASP 32 1HB ASP 32 11.154 -8.735 8.923 258 HB3 ASP 32 2HB ASP 32 10.218 -10.154 9.387 259 H ASN 33 H ASN 33 8.873 -10.362 5.199 260 HA ASN 33 HA ASN 33 8.524 -13.091 5.710 261 HB2 ASN 33 1HB ASN 33 6.807 -11.658 7.289 262 HB3 ASN 33 2HB ASN 33 5.811 -11.964 5.870 263 HD21 ASN 33 2HD2 ASN 33 7.182 -13.262 8.696 264 HD22 ASN 33 1HD2 ASN 33 6.608 -14.881 8.514 265 H LYS 34 H LYS 34 6.883 -10.290 4.259 266 HA LYS 34 HA LYS 34 7.240 -11.404 1.622 267 HB2 LYS 34 1HB LYS 34 4.553 -11.262 2.939 268 HB3 LYS 34 2HB LYS 34 4.684 -11.008 1.203 269 HG2 LYS 34 1HG LYS 34 4.498 -13.215 1.019 270 HG3 LYS 34 2HG LYS 34 6.160 -13.293 1.607 271 HD2 LYS 34 1HD LYS 34 5.539 -14.022 3.661 272 HD3 LYS 34 2HD LYS 34 4.054 -13.066 3.668 273 HE2 LYS 34 1HE LYS 34 2.903 -14.659 2.371 274 HE3 LYS 34 2HE LYS 34 4.393 -15.481 1.912 275 HZ1 LYS 34 3HZ LYS 34 2.720 -15.987 4.115 276 HZ2 LYS 34 1HZ LYS 34 4.240 -15.517 4.691 277 HZ3 LYS 34 2HZ LYS 34 4.106 -16.826 3.628 278 H LYS 35 H LYS 35 8.490 -9.258 2.249 279 HA LYS 35 HA LYS 35 6.952 -6.844 1.955 280 HB2 LYS 35 1HB LYS 35 9.645 -7.554 2.701 281 HB3 LYS 35 2HB LYS 35 9.668 -6.272 1.498 282 HG2 LYS 35 1HG LYS 35 7.708 -5.462 3.258 283 HG3 LYS 35 2HG LYS 35 8.934 -6.183 4.303 284 HD2 LYS 35 1HD LYS 35 10.505 -4.738 2.656 285 HD3 LYS 35 2HD LYS 35 9.045 -3.745 2.640 286 HE2 LYS 35 1HE LYS 35 9.801 -2.852 4.541 287 HE3 LYS 35 2HE LYS 35 9.363 -4.378 5.307 288 HZ1 LYS 35 3HZ LYS 35 12.016 -3.867 4.083 289 HZ2 LYS 35 1HZ LYS 35 11.568 -5.175 5.057 290 HZ3 LYS 35 2HZ LYS 35 11.683 -3.625 5.725 291 H CYS 36 H CYS 36 6.385 -5.890 0.115 292 HA CYS 36 HA CYS 36 6.730 -7.005 -2.394 293 HB2 CYS 36 1HB CYS 36 5.716 -4.479 -1.321 294 HB3 CYS 36 2HB CYS 36 6.398 -4.316 -2.935 295 HG CYS 36 HG CYS 36 4.217 -6.851 -2.416 296 H THR 37 H THR 37 8.176 -6.784 -4.034 297 HA THR 37 HA THR 37 10.447 -4.962 -3.643 298 HB THR 37 HB THR 37 11.287 -7.085 -2.897 299 HG1 THR 37 1HG THR 37 13.026 -6.685 -4.019 300 HG21 THR 37 3HG2 THR 37 9.501 -8.145 -4.810 301 HG22 THR 37 1HG2 THR 37 10.511 -9.026 -3.666 302 HG23 THR 37 2HG2 THR 37 11.120 -8.660 -5.280 303 H LYS 38 H LYS 38 8.693 -4.020 -5.248 304 HA LYS 38 HA LYS 38 9.889 -4.175 -7.854 305 HB2 LYS 38 1HB LYS 38 7.755 -5.908 -7.359 306 HB3 LYS 38 2HB LYS 38 7.039 -4.562 -8.235 307 HG2 LYS 38 1HG LYS 38 9.560 -5.719 -9.289 308 HG3 LYS 38 2HG LYS 38 8.071 -6.648 -9.477 309 HD2 LYS 38 1HD LYS 38 7.034 -4.899 -10.704 310 HD3 LYS 38 2HD LYS 38 8.315 -3.758 -10.288 311 HE2 LYS 38 1HE LYS 38 9.643 -4.474 -11.946 312 HE3 LYS 38 2HE LYS 38 9.276 -6.169 -11.630 313 HZ1 LYS 38 3HZ LYS 38 6.973 -5.338 -12.682 314 HZ2 LYS 38 1HZ LYS 38 8.229 -6.010 -13.594 315 HZ3 LYS 38 2HZ LYS 38 8.053 -4.331 -13.507 316 H ASP 39 H ASP 39 10.105 -2.086 -8.291 317 HA ASP 39 HA ASP 39 8.789 0.032 -7.137 318 HB2 ASP 39 1HB ASP 39 10.828 -0.130 -8.851 319 HB3 ASP 39 2HB ASP 39 9.570 0.329 -9.996 320 H ASN 40 H ASN 40 6.827 0.903 -7.291 321 HA ASN 40 HA ASN 40 4.698 1.326 -7.970 322 HB2 ASN 40 1HB ASN 40 6.131 0.926 -10.560 323 HB3 ASN 40 2HB ASN 40 4.372 1.009 -10.581 324 HD21 ASN 40 2HD2 ASN 40 6.723 2.711 -8.562 325 HD22 ASN 40 1HD2 ASN 40 6.258 4.300 -9.056 326 H ASN 41 H ASN 41 5.278 -1.238 -6.962 327 HA ASN 41 HA ASN 41 4.282 -3.358 -8.498 328 HB2 ASN 41 1HB ASN 41 5.217 -2.982 -5.855 329 HB3 ASN 41 2HB ASN 41 3.630 -3.736 -5.724 330 HD21 ASN 41 2HD2 ASN 41 6.078 -4.937 -5.004 331 HD22 ASN 41 1HD2 ASN 41 6.321 -6.305 -6.031 332 H LYS 42 H LYS 42 2.264 -4.575 -7.144 333 HA LYS 42 HA LYS 42 -0.003 -2.760 -7.623 334 HB2 LYS 42 1HB LYS 42 0.522 -5.180 -8.797 335 HB3 LYS 42 2HB LYS 42 -0.567 -5.640 -7.495 336 HG2 LYS 42 1HG LYS 42 -2.347 -4.600 -8.426 337 HG3 LYS 42 2HG LYS 42 -1.366 -3.314 -9.133 338 HD2 LYS 42 1HD LYS 42 -1.566 -4.355 -11.092 339 HD3 LYS 42 2HD LYS 42 -0.555 -5.644 -10.435 340 HE2 LYS 42 1HE LYS 42 -2.570 -6.771 -9.592 341 HE3 LYS 42 2HE LYS 42 -3.565 -5.492 -10.288 342 HZ1 LYS 42 3HZ LYS 42 -1.922 -6.422 -12.318 343 HZ2 LYS 42 1HZ LYS 42 -3.591 -6.644 -12.162 344 HZ3 LYS 42 2HZ LYS 42 -2.523 -7.797 -11.538 345 H CYS 43 H CYS 43 -0.713 -1.964 -5.748 346 HA CYS 43 HA CYS 43 -1.234 -3.861 -3.562 347 HB2 CYS 43 1HB CYS 43 -0.403 -2.392 -1.920 348 HB3 CYS 43 2HB CYS 43 0.804 -2.349 -3.199 349 HG CYS 43 HG CYS 43 -1.074 0.023 -4.077 350 H THR 44 H THR 44 -2.977 -3.279 -2.155 351 HA THR 44 HA THR 44 -4.715 -1.100 -3.006 352 HB THR 44 HB THR 44 -6.707 -2.628 -3.049 353 HG1 THR 44 1HG THR 44 -6.373 -4.815 -3.161 354 HG21 THR 44 3HG2 THR 44 -4.535 -2.969 -5.111 355 HG22 THR 44 1HG2 THR 44 -5.885 -1.836 -5.141 356 HG23 THR 44 2HG2 THR 44 -6.181 -3.564 -5.331 357 H VAL 45 H VAL 45 -5.269 -0.052 -1.221 358 HA VAL 45 HA VAL 45 -5.231 -1.436 1.347 359 HB VAL 45 HB VAL 45 -5.456 1.491 0.645 360 HG11 VAL 45 1HG1 VAL 45 -6.699 1.392 2.597 361 HG12 VAL 45 2HG1 VAL 45 -5.735 0.073 3.267 362 HG13 VAL 45 3HG1 VAL 45 -5.072 1.707 3.199 363 HG21 VAL 45 3HG2 VAL 45 -3.276 0.175 2.226 364 HG22 VAL 45 1HG2 VAL 45 -3.242 0.184 0.463 365 HG23 VAL 45 2HG2 VAL 45 -3.247 1.707 1.352 366 H ASP 46 H ASP 46 -6.978 -1.630 2.702 367 HA ASP 46 HA ASP 46 -9.596 -1.014 1.501 368 HB2 ASP 46 1HB ASP 46 -8.899 -3.457 1.966 369 HB3 ASP 46 2HB ASP 46 -9.155 -3.061 3.663 370 H THR 47 H THR 47 -10.855 0.413 2.496 371 HA THR 47 HA THR 47 -9.995 1.573 5.002 372 HB THR 47 HB THR 47 -12.472 2.691 4.341 373 HG1 THR 47 1HG THR 47 -12.391 3.021 2.149 374 HG21 THR 47 3HG2 THR 47 -11.128 4.639 3.687 375 HG22 THR 47 1HG2 THR 47 -9.686 3.625 3.636 376 HG23 THR 47 2HG2 THR 47 -10.517 3.901 5.167 377 H TYR 48 H TYR 48 -12.001 -0.960 4.090 378 HA TYR 48 HA TYR 48 -14.199 -0.823 5.748 379 HB2 TYR 48 1HB TYR 48 -14.104 -2.630 4.233 380 HB3 TYR 48 2HB TYR 48 -12.537 -3.162 4.832 381 HD1 TYR 48 2HD TYR 48 -15.580 -2.298 6.788 382 HD2 TYR 48 1HD TYR 48 -12.934 -5.369 5.498 383 HE1 TYR 48 2HE TYR 48 -16.701 -3.888 8.293 384 HE2 TYR 48 1HE TYR 48 -14.047 -6.968 6.998 385 HH TYR 48 HH TYR 48 -17.016 -6.373 8.439 386 H ASN 49 H ASN 49 -11.087 -2.382 6.538 387 HA ASN 49 HA ASN 49 -11.271 -1.458 9.269 388 HB2 ASN 49 1HB ASN 49 -12.616 -3.654 9.051 389 HB3 ASN 49 2HB ASN 49 -11.047 -4.433 8.874 390 HD21 ASN 49 2HD2 ASN 49 -10.236 -5.203 10.672 391 HD22 ASN 49 1HD2 ASN 49 -10.524 -4.600 12.264 392 H ASN 50 H ASN 50 -9.444 -0.926 7.206 393 HA ASN 50 HA ASN 50 -7.209 -0.779 6.811 394 HB2 ASN 50 1HB ASN 50 -7.369 -1.499 9.692 395 HB3 ASN 50 2HB ASN 50 -5.797 -1.656 8.915 396 HD21 ASN 50 2HD2 ASN 50 -5.660 0.398 7.229 397 HD22 ASN 50 1HD2 ASN 50 -5.777 1.904 8.067 398 H ALA 51 H ALA 51 -7.797 -2.588 5.277 399 HA ALA 51 HA ALA 51 -6.082 -4.905 5.861 400 HB1 ALA 51 1HB ALA 51 -8.777 -5.031 4.513 401 HB2 ALA 51 2HB ALA 51 -7.671 -6.386 4.746 402 HB3 ALA 51 3HB ALA 51 -8.407 -5.598 6.142 403 H VAL 52 H VAL 52 -4.466 -3.807 4.629 404 HA VAL 52 HA VAL 52 -5.003 -3.315 1.812 405 HB VAL 52 HB VAL 52 -3.633 -1.699 3.054 406 HG11 VAL 52 1HG1 VAL 52 -2.544 -3.793 4.333 407 HG12 VAL 52 2HG1 VAL 52 -1.286 -3.489 3.134 408 HG13 VAL 52 3HG1 VAL 52 -1.778 -2.207 4.242 409 HG21 VAL 52 3HG2 VAL 52 -3.310 -1.904 0.656 410 HG22 VAL 52 1HG2 VAL 52 -1.775 -1.551 1.449 411 HG23 VAL 52 2HG2 VAL 52 -2.129 -3.190 0.904 412 H ASP 53 H ASP 53 -4.012 -4.386 0.112 413 HA ASP 53 HA ASP 53 -3.018 -7.063 0.772 414 HB2 ASP 53 1HB ASP 53 -4.225 -5.868 -1.716 415 HB3 ASP 53 2HB ASP 53 -3.381 -7.414 -1.750 416 H CYS 54 H CYS 54 -1.541 -7.810 -1.291 417 HA CYS 54 HA CYS 54 0.463 -5.783 -1.874 418 HB2 CYS 54 1HB CYS 54 2.301 -6.951 -0.925 419 HB3 CYS 54 2HB CYS 54 1.067 -6.887 0.328 420 HG CYS 54 HG CYS 54 2.445 -9.527 -1.167 421 H ASP 55 H ASP 55 1.864 -6.341 -3.595 422 HA ASP 55 HA ASP 55 0.671 -7.886 -5.626 423 HB2 ASP 55 1HB ASP 55 2.359 -5.937 -5.820 424 HB3 ASP 55 2HB ASP 55 3.593 -7.173 -5.599 Start of MODEL 20 1 H1 ALA 1 H ALA 1 -14.357 0.634 2.167 2 HA ALA 1 HA ALA 1 -15.059 0.440 -0.598 3 HB1 ALA 1 1HB ALA 1 -14.401 2.673 -1.289 4 HB2 ALA 1 2HB ALA 1 -15.756 2.753 -0.162 5 HB3 ALA 1 3HB ALA 1 -14.125 3.132 0.391 6 H LYS 2 H LYS 2 -13.270 0.145 -1.929 7 HA LYS 2 HA LYS 2 -10.750 -0.288 -0.488 8 HB2 LYS 2 1HB LYS 2 -11.943 -1.471 -2.975 9 HB3 LYS 2 2HB LYS 2 -10.208 -1.556 -2.698 10 HG2 LYS 2 1HG LYS 2 -10.412 -3.030 -0.973 11 HG3 LYS 2 2HG LYS 2 -12.010 -2.439 -0.511 12 HD2 LYS 2 1HD LYS 2 -13.047 -3.593 -2.315 13 HD3 LYS 2 2HD LYS 2 -11.489 -3.970 -3.053 14 HE2 LYS 2 1HE LYS 2 -10.974 -5.260 -0.919 15 HE3 LYS 2 2HE LYS 2 -12.688 -5.100 -0.538 16 HZ1 LYS 2 3HZ LYS 2 -12.130 -6.073 -3.201 17 HZ2 LYS 2 1HZ LYS 2 -13.246 -6.626 -2.056 18 HZ3 LYS 2 2HZ LYS 2 -11.629 -7.110 -1.962 19 H TYR 3 H TYR 3 -8.742 0.035 -1.876 20 HA TYR 3 HA TYR 3 -8.929 2.140 -3.856 21 HB2 TYR 3 1HB TYR 3 -7.594 2.572 -1.181 22 HB3 TYR 3 2HB TYR 3 -7.281 3.578 -2.591 23 HD1 TYR 3 1HD TYR 3 -9.115 4.970 -3.541 24 HD2 TYR 3 2HD TYR 3 -9.563 2.855 0.124 25 HE1 TYR 3 1HE TYR 3 -11.051 6.376 -2.974 26 HE2 TYR 3 2HE TYR 3 -11.502 4.254 0.700 27 HH TYR 3 HH TYR 3 -12.394 7.038 -1.213 28 H THR 4 H THR 4 -7.483 1.758 -5.392 29 HA THR 4 HA THR 4 -5.294 -0.103 -4.834 30 HB THR 4 HB THR 4 -6.095 0.922 -7.553 31 HG1 THR 4 1HG THR 4 -7.862 -0.209 -7.332 32 HG21 THR 4 3HG2 THR 4 -3.996 -0.178 -7.607 33 HG22 THR 4 1HG2 THR 4 -5.174 -1.348 -8.198 34 HG23 THR 4 2HG2 THR 4 -4.563 -1.470 -6.549 35 H GLY 5 H GLY 5 -3.144 0.327 -5.495 36 HA2 GLY 5 1HA GLY 5 -2.433 2.955 -6.460 37 HA3 GLY 5 2HA GLY 5 -2.006 2.676 -4.779 38 H LYS 6 H LYS 6 0.157 2.519 -4.826 39 HA LYS 6 HA LYS 6 1.339 0.173 -5.959 40 HB2 LYS 6 1HB LYS 6 3.084 1.893 -7.124 41 HB3 LYS 6 2HB LYS 6 1.771 1.093 -7.976 42 HG2 LYS 6 1HG LYS 6 0.354 3.049 -7.650 43 HG3 LYS 6 2HG LYS 6 1.657 3.852 -6.773 44 HD2 LYS 6 1HD LYS 6 1.591 4.643 -9.063 45 HD3 LYS 6 2HD LYS 6 3.067 3.714 -8.790 46 HE2 LYS 6 1HE LYS 6 2.536 2.373 -10.477 47 HE3 LYS 6 2HE LYS 6 1.048 1.915 -9.648 48 HZ1 LYS 6 3HZ LYS 6 1.422 3.651 -11.899 49 HZ2 LYS 6 1HZ LYS 6 0.473 4.355 -10.688 50 HZ3 LYS 6 2HZ LYS 6 0.022 2.870 -11.359 51 H CYS 7 H CYS 7 3.267 -0.341 -4.989 52 HA CYS 7 HA CYS 7 4.094 1.443 -2.814 53 HB2 CYS 7 1HB CYS 7 4.509 -1.515 -3.258 54 HB3 CYS 7 2HB CYS 7 5.264 -0.618 -1.946 55 HG CYS 7 HG CYS 7 2.217 -1.883 -2.143 56 H THR 8 H THR 8 6.525 1.141 -2.247 57 HA THR 8 HA THR 8 8.066 1.408 -4.747 58 HB THR 8 HB THR 8 9.373 3.113 -3.823 59 HG1 THR 8 1HG THR 8 9.750 3.319 -1.715 60 HG21 THR 8 3HG2 THR 8 7.862 4.815 -3.358 61 HG22 THR 8 1HG2 THR 8 6.801 3.759 -2.429 62 HG23 THR 8 2HG2 THR 8 6.852 3.631 -4.188 63 H LYS 9 H LYS 9 9.899 0.251 -4.977 64 HA LYS 9 HA LYS 9 10.377 -2.007 -3.406 65 HB2 LYS 9 1HB LYS 9 12.617 -2.043 -4.610 66 HB3 LYS 9 2HB LYS 9 11.182 -2.041 -5.628 67 HG2 LYS 9 1HG LYS 9 11.886 -0.222 -6.668 68 HG3 LYS 9 2HG LYS 9 11.976 0.655 -5.139 69 HD2 LYS 9 1HD LYS 9 14.141 0.691 -6.191 70 HD3 LYS 9 2HD LYS 9 14.219 -0.339 -4.760 71 HE2 LYS 9 1HE LYS 9 15.093 -1.908 -6.076 72 HE3 LYS 9 2HE LYS 9 13.493 -2.069 -6.799 73 HZ1 LYS 9 3HZ LYS 9 15.697 -1.468 -8.177 74 HZ2 LYS 9 1HZ LYS 9 15.118 0.089 -7.848 75 HZ3 LYS 9 2HZ LYS 9 14.138 -1.024 -8.662 76 H SER 10 H SER 10 11.344 1.260 -2.966 77 HA SER 10 HA SER 10 13.385 0.502 -1.002 78 HB2 SER 10 1HB SER 10 14.046 2.865 -1.042 79 HB3 SER 10 2HB SER 10 14.026 2.196 -2.674 80 HG SER 10 HG SER 10 12.890 3.982 -2.965 81 H LYS 11 H LYS 11 10.303 0.498 -0.804 82 HA LYS 11 HA LYS 11 10.148 1.116 1.938 83 HB2 LYS 11 1HB LYS 11 9.949 3.386 0.345 84 HB3 LYS 11 2HB LYS 11 8.278 2.982 0.716 85 HG2 LYS 11 1HG LYS 11 8.583 3.263 3.000 86 HG3 LYS 11 2HG LYS 11 10.338 3.108 2.882 87 HD2 LYS 11 1HD LYS 11 9.298 5.324 1.309 88 HD3 LYS 11 2HD LYS 11 8.914 5.469 3.027 89 HE2 LYS 11 1HE LYS 11 11.434 4.832 3.333 90 HE3 LYS 11 2HE LYS 11 11.574 5.396 1.669 91 HZ1 LYS 11 3HZ LYS 11 11.224 7.527 2.265 92 HZ2 LYS 11 1HZ LYS 11 11.804 6.997 3.763 93 HZ3 LYS 11 2HZ LYS 11 10.139 7.138 3.504 94 H ASN 12 H ASN 12 8.923 -0.583 2.440 95 HA ASN 12 HA ASN 12 6.775 -1.450 0.706 96 HB2 ASN 12 1HB ASN 12 8.149 -3.157 1.738 97 HB3 ASN 12 2HB ASN 12 7.796 -2.524 3.343 98 HD21 ASN 12 2HD2 ASN 12 6.294 -3.555 4.427 99 HD22 ASN 12 1HD2 ASN 12 5.013 -4.499 3.751 100 H GLU 13 H GLU 13 5.548 0.568 0.966 101 HA GLU 13 HA GLU 13 3.781 0.390 3.304 102 HB2 GLU 13 1HB GLU 13 3.753 2.784 3.582 103 HB3 GLU 13 2HB GLU 13 5.419 2.228 3.649 104 HG2 GLU 13 1HG GLU 13 5.102 2.800 0.994 105 HG3 GLU 13 2HG GLU 13 4.118 4.038 1.774 106 H CYS 14 H CYS 14 1.650 0.649 2.877 107 HA CYS 14 HA CYS 14 0.777 0.491 0.180 108 HB2 CYS 14 1HB CYS 14 -0.327 -0.011 2.717 109 HB3 CYS 14 2HB CYS 14 -1.346 1.226 1.992 110 HG CYS 14 HG CYS 14 -1.892 -0.280 -0.314 111 H LYS 15 H LYS 15 0.891 2.177 -1.151 112 HA LYS 15 HA LYS 15 0.224 4.849 -0.121 113 HB2 LYS 15 1HB LYS 15 2.326 5.024 -1.096 114 HB3 LYS 15 2HB LYS 15 1.944 3.875 -2.371 115 HG2 LYS 15 1HG LYS 15 2.160 6.147 -3.231 116 HG3 LYS 15 2HG LYS 15 0.527 5.517 -3.460 117 HD2 LYS 15 1HD LYS 15 0.520 6.771 -0.951 118 HD3 LYS 15 2HD LYS 15 1.398 7.858 -2.031 119 HE2 LYS 15 1HE LYS 15 -1.197 6.640 -2.890 120 HE3 LYS 15 2HE LYS 15 -1.185 8.052 -1.834 121 HZ1 LYS 15 3HZ LYS 15 0.428 8.093 -4.288 122 HZ2 LYS 15 1HZ LYS 15 -0.304 9.375 -3.461 123 HZ3 LYS 15 2HZ LYS 15 -1.242 8.332 -4.404 124 H TYR 16 H TYR 16 -1.864 5.301 -0.400 125 HA TYR 16 HA TYR 16 -3.015 4.913 -3.071 126 HB2 TYR 16 1HB TYR 16 -5.095 4.092 -2.167 127 HB3 TYR 16 2HB TYR 16 -3.788 3.079 -1.566 128 HD1 TYR 16 2HD TYR 16 -2.868 3.661 0.787 129 HD2 TYR 16 1HD TYR 16 -6.624 5.019 -0.678 130 HE1 TYR 16 2HE TYR 16 -3.617 4.057 3.095 131 HE2 TYR 16 1HE TYR 16 -7.383 5.422 1.626 132 HH TYR 16 HH TYR 16 -6.901 4.773 3.864 133 H LYS 17 H LYS 17 -5.222 6.111 -3.161 134 HA LYS 17 HA LYS 17 -4.828 8.754 -1.923 135 HB2 LYS 17 1HB LYS 17 -5.822 7.887 -4.598 136 HB3 LYS 17 2HB LYS 17 -6.481 9.364 -3.906 137 HG2 LYS 17 1HG LYS 17 -4.383 10.418 -3.886 138 HG3 LYS 17 2HG LYS 17 -3.527 8.898 -4.149 139 HD2 LYS 17 1HD LYS 17 -4.013 8.854 -6.391 140 HD3 LYS 17 2HD LYS 17 -5.496 9.792 -6.196 141 HE2 LYS 17 1HE LYS 17 -4.357 11.571 -6.895 142 HE3 LYS 17 2HE LYS 17 -3.458 11.504 -5.381 143 HZ1 LYS 17 3HZ LYS 17 -2.538 11.023 -8.004 144 HZ2 LYS 17 1HZ LYS 17 -2.318 9.627 -7.074 145 HZ3 LYS 17 2HZ LYS 17 -1.650 11.095 -6.566 146 H ASN 18 H ASN 18 -6.247 9.344 -0.429 147 HA ASN 18 HA ASN 18 -8.877 8.018 -0.393 148 HB2 ASN 18 1HB ASN 18 -8.860 8.030 1.922 149 HB3 ASN 18 2HB ASN 18 -7.149 7.802 1.573 150 HD21 ASN 18 2HD2 ASN 18 -5.909 9.908 1.349 151 HD22 ASN 18 1HD2 ASN 18 -6.248 11.122 2.531 152 H ASP 19 H ASP 19 -10.631 9.361 0.623 153 HA ASP 19 HA ASP 19 -11.916 11.243 0.742 154 HB2 ASP 19 1HB ASP 19 -9.699 12.204 1.693 155 HB3 ASP 19 2HB ASP 19 -9.531 12.957 0.109 156 H ALA 20 H ALA 20 -9.436 12.167 -1.645 157 HA ALA 20 HA ALA 20 -11.027 11.627 -3.912 158 HB1 ALA 20 1HB ALA 20 -12.402 13.454 -3.117 159 HB2 ALA 20 2HB ALA 20 -10.992 14.511 -3.031 160 HB3 ALA 20 3HB ALA 20 -11.565 13.929 -4.594 161 H GLY 21 H GLY 21 -8.393 11.112 -3.243 162 HA2 GLY 21 1HA GLY 21 -6.635 11.073 -4.929 163 HA3 GLY 21 2HA GLY 21 -6.971 12.772 -5.226 164 H LYS 22 H LYS 22 -7.059 11.914 -1.941 165 HA LYS 22 HA LYS 22 -4.624 13.416 -1.457 166 HB2 LYS 22 1HB LYS 22 -7.053 12.932 -0.040 167 HB3 LYS 22 2HB LYS 22 -5.715 12.380 0.960 168 HG2 LYS 22 1HG LYS 22 -5.827 15.108 -0.301 169 HG3 LYS 22 2HG LYS 22 -6.416 14.753 1.324 170 HD2 LYS 22 1HD LYS 22 -3.867 13.641 1.241 171 HD3 LYS 22 2HD LYS 22 -3.709 15.179 0.390 172 HE2 LYS 22 1HE LYS 22 -4.882 16.253 2.337 173 HE3 LYS 22 2HE LYS 22 -4.736 14.714 3.183 174 HZ1 LYS 22 3HZ LYS 22 -2.922 16.052 3.845 175 HZ2 LYS 22 1HZ LYS 22 -2.543 16.475 2.250 176 HZ3 LYS 22 2HZ LYS 22 -2.289 14.892 2.789 177 H ASP 23 H ASP 23 -2.732 12.409 -1.462 178 HA ASP 23 HA ASP 23 -2.284 9.686 -1.465 179 HB2 ASP 23 1HB ASP 23 0.059 10.357 -0.593 180 HB3 ASP 23 2HB ASP 23 -0.472 10.997 -2.146 181 H THR 24 H THR 24 -1.625 8.182 0.088 182 HA THR 24 HA THR 24 -1.723 8.924 2.899 183 HB THR 24 HB THR 24 -3.528 6.725 1.887 184 HG1 THR 24 1HG THR 24 -4.419 8.661 1.192 185 HG21 THR 24 3HG2 THR 24 -3.994 8.033 4.483 186 HG22 THR 24 1HG2 THR 24 -2.510 7.088 4.375 187 HG23 THR 24 2HG2 THR 24 -4.067 6.327 4.044 188 H PHE 25 H PHE 25 -0.396 7.704 4.126 189 HA PHE 25 HA PHE 25 0.622 5.188 2.998 190 HB2 PHE 25 1HB PHE 25 2.375 7.200 4.412 191 HB3 PHE 25 2HB PHE 25 2.881 5.741 3.565 192 HD1 PHE 25 2HD PHE 25 1.532 9.143 3.131 193 HD2 PHE 25 1HD PHE 25 3.228 5.736 1.225 194 HE1 PHE 25 2HE PHE 25 1.844 10.454 1.072 195 HE2 PHE 25 1HE PHE 25 3.543 7.042 -0.837 196 HZ PHE 25 HZ PHE 25 2.849 9.403 -0.915 197 H ILE 26 H ILE 26 0.828 3.541 4.414 198 HA ILE 26 HA ILE 26 0.937 4.023 7.267 199 HB ILE 26 HB ILE 26 -1.504 4.084 6.705 200 HG12 ILE 26 1HG1 ILE 26 -1.515 1.697 8.314 201 HG13 ILE 26 2HG1 ILE 26 -0.148 2.711 8.766 202 HG21 ILE 26 1HG2 ILE 26 -1.004 2.101 4.978 203 HG22 ILE 26 2HG2 ILE 26 -1.546 1.150 6.360 204 HG23 ILE 26 3HG2 ILE 26 -2.598 2.390 5.676 205 HD11 ILE 26 3HD1 ILE 26 -2.303 4.458 8.538 206 HD12 ILE 26 1HD1 ILE 26 -2.943 3.030 9.352 207 HD13 ILE 26 2HD1 ILE 26 -1.547 3.875 10.021 208 H LYS 27 H LYS 27 2.747 2.842 5.450 209 HA LYS 27 HA LYS 27 4.054 1.001 5.158 210 HB2 LYS 27 1HB LYS 27 3.363 1.156 7.911 211 HB3 LYS 27 2HB LYS 27 3.352 -0.544 7.457 212 HG2 LYS 27 1HG LYS 27 5.539 -0.408 7.949 213 HG3 LYS 27 2HG LYS 27 5.656 0.226 6.306 214 HD2 LYS 27 1HD LYS 27 5.081 2.489 7.670 215 HD3 LYS 27 2HD LYS 27 5.980 1.593 8.897 216 HE2 LYS 27 1HE LYS 27 7.839 1.314 7.353 217 HE3 LYS 27 2HE LYS 27 6.935 2.145 6.089 218 HZ1 LYS 27 3HZ LYS 27 6.846 4.060 7.771 219 HZ2 LYS 27 1HZ LYS 27 8.299 3.785 6.949 220 HZ3 LYS 27 2HZ LYS 27 8.119 3.263 8.548 221 H CYS 28 H CYS 28 3.968 -1.576 5.395 222 HA CYS 28 HA CYS 28 1.308 -2.490 4.547 223 HB2 CYS 28 1HB CYS 28 3.815 -2.495 3.008 224 HB3 CYS 28 2HB CYS 28 2.973 -4.039 3.025 225 HG CYS 28 HG CYS 28 1.085 -3.421 1.376 226 HA PRO 29 HA PRO 29 1.987 -5.765 7.404 227 HB2 PRO 29 1HB PRO 29 0.256 -7.596 6.391 228 HB3 PRO 29 2HB PRO 29 -0.273 -6.154 7.266 229 HG2 PRO 29 1HG PRO 29 -0.143 -6.638 4.314 230 HG3 PRO 29 2HG PRO 29 -1.421 -5.859 5.265 231 HD2 PRO 29 1HD PRO 29 0.411 -4.449 3.856 232 HD3 PRO 29 2HD PRO 29 -0.293 -3.853 5.373 233 H LYS 30 H LYS 30 4.210 -5.891 6.259 234 HA LYS 30 HA LYS 30 4.494 -8.623 5.243 235 HB2 LYS 30 1HB LYS 30 6.014 -6.324 4.022 236 HB3 LYS 30 2HB LYS 30 5.931 -7.986 3.455 237 HG2 LYS 30 1HG LYS 30 3.591 -6.094 3.511 238 HG3 LYS 30 2HG LYS 30 4.609 -6.391 2.100 239 HD2 LYS 30 1HD LYS 30 3.754 -8.477 1.753 240 HD3 LYS 30 2HD LYS 30 3.438 -8.752 3.467 241 HE2 LYS 30 1HE LYS 30 1.695 -6.777 3.029 242 HE3 LYS 30 2HE LYS 30 1.759 -7.450 1.401 243 HZ1 LYS 30 3HZ LYS 30 0.024 -8.392 2.953 244 HZ2 LYS 30 1HZ LYS 30 1.292 -9.140 3.786 245 HZ3 LYS 30 2HZ LYS 30 1.007 -9.520 2.163 246 H PHE 31 H PHE 31 5.038 -8.560 7.674 247 HA PHE 31 HA PHE 31 7.620 -7.485 8.357 248 HB2 PHE 31 1HB PHE 31 5.514 -9.050 9.794 249 HB3 PHE 31 2HB PHE 31 7.141 -8.997 10.464 250 HD1 PHE 31 2HD PHE 31 4.258 -6.920 9.459 251 HD2 PHE 31 1HD PHE 31 7.932 -7.094 11.602 252 HE1 PHE 31 2HE PHE 31 3.757 -4.742 10.488 253 HE2 PHE 31 1HE PHE 31 7.436 -4.917 12.635 254 HZ PHE 31 HZ PHE 31 5.347 -3.737 12.077 255 H ASP 32 H ASP 32 9.006 -8.509 6.868 256 HA ASP 32 HA ASP 32 10.388 -10.134 6.063 257 HB2 ASP 32 1HB ASP 32 11.057 -9.930 8.516 258 HB3 ASP 32 2HB ASP 32 10.126 -11.400 8.788 259 H ASN 33 H ASN 33 8.897 -11.001 4.570 260 HA ASN 33 HA ASN 33 8.489 -13.759 4.731 261 HB2 ASN 33 1HB ASN 33 6.626 -12.521 6.290 262 HB3 ASN 33 2HB ASN 33 5.775 -12.606 4.750 263 HD21 ASN 33 2HD2 ASN 33 4.524 -14.307 4.614 264 HD22 ASN 33 1HD2 ASN 33 4.847 -15.872 5.271 265 H LYS 34 H LYS 34 7.264 -10.723 3.412 266 HA LYS 34 HA LYS 34 7.905 -11.397 0.757 267 HB2 LYS 34 1HB LYS 34 5.976 -12.920 1.004 268 HB3 LYS 34 2HB LYS 34 4.958 -11.548 1.415 269 HG2 LYS 34 1HG LYS 34 5.962 -10.710 -0.942 270 HG3 LYS 34 2HG LYS 34 5.949 -12.456 -1.199 271 HD2 LYS 34 1HD LYS 34 3.520 -12.235 -0.187 272 HD3 LYS 34 2HD LYS 34 3.680 -10.576 -0.768 273 HE2 LYS 34 1HE LYS 34 2.661 -11.814 -2.515 274 HE3 LYS 34 2HE LYS 34 4.333 -11.539 -3.001 275 HZ1 LYS 34 3HZ LYS 34 3.745 -13.797 -3.458 276 HZ2 LYS 34 1HZ LYS 34 3.203 -14.043 -1.874 277 HZ3 LYS 34 2HZ LYS 34 4.848 -13.791 -2.176 278 H LYS 35 H LYS 35 8.735 -9.237 1.654 279 HA LYS 35 HA LYS 35 6.865 -7.051 1.667 280 HB2 LYS 35 1HB LYS 35 9.875 -6.877 1.525 281 HB3 LYS 35 2HB LYS 35 8.755 -5.648 2.100 282 HG2 LYS 35 1HG LYS 35 9.073 -6.408 4.153 283 HG3 LYS 35 2HG LYS 35 8.267 -7.905 3.677 284 HD2 LYS 35 1HD LYS 35 10.382 -8.500 4.598 285 HD3 LYS 35 2HD LYS 35 10.490 -8.727 2.851 286 HE2 LYS 35 1HE LYS 35 11.603 -6.554 2.645 287 HE3 LYS 35 2HE LYS 35 11.498 -6.336 4.392 288 HZ1 LYS 35 3HZ LYS 35 13.137 -7.840 4.772 289 HZ2 LYS 35 1HZ LYS 35 13.638 -7.314 3.245 290 HZ3 LYS 35 2HZ LYS 35 12.786 -8.766 3.401 291 H CYS 36 H CYS 36 7.662 -5.036 0.297 292 HA CYS 36 HA CYS 36 6.949 -5.460 -2.330 293 HB2 CYS 36 1HB CYS 36 7.937 -3.231 -2.797 294 HB3 CYS 36 2HB CYS 36 6.933 -3.241 -1.352 295 HG CYS 36 HG CYS 36 10.355 -3.351 -1.347 296 H THR 37 H THR 37 8.158 -5.376 -4.309 297 HA THR 37 HA THR 37 11.004 -5.796 -4.272 298 HB THR 37 HB THR 37 10.199 -8.058 -3.690 299 HG1 THR 37 1HG THR 37 11.128 -8.128 -6.365 300 HG21 THR 37 3HG2 THR 37 8.366 -8.895 -4.635 301 HG22 THR 37 1HG2 THR 37 9.180 -8.902 -6.200 302 HG23 THR 37 2HG2 THR 37 8.255 -7.488 -5.693 303 H LYS 38 H LYS 38 9.341 -3.876 -5.480 304 HA LYS 38 HA LYS 38 10.353 -3.811 -8.080 305 HB2 LYS 38 1HB LYS 38 8.156 -5.524 -7.907 306 HB3 LYS 38 2HB LYS 38 7.503 -4.034 -8.576 307 HG2 LYS 38 1HG LYS 38 10.019 -4.987 -9.775 308 HG3 LYS 38 2HG LYS 38 8.593 -5.988 -10.058 309 HD2 LYS 38 1HD LYS 38 7.402 -4.105 -10.983 310 HD3 LYS 38 2HD LYS 38 8.732 -3.018 -10.576 311 HE2 LYS 38 1HE LYS 38 10.191 -4.203 -12.123 312 HE3 LYS 38 2HE LYS 38 8.895 -5.338 -12.498 313 HZ1 LYS 38 3HZ LYS 38 8.555 -2.435 -12.921 314 HZ2 LYS 38 1HZ LYS 38 7.695 -3.713 -13.619 315 HZ3 LYS 38 2HZ LYS 38 9.290 -3.409 -14.094 316 H ASP 39 H ASP 39 9.824 -1.884 -9.189 317 HA ASP 39 HA ASP 39 9.005 0.251 -7.463 318 HB2 ASP 39 1HB ASP 39 9.334 0.621 -10.413 319 HB3 ASP 39 2HB ASP 39 9.802 1.690 -9.093 320 H ASN 40 H ASN 40 6.907 0.417 -6.968 321 HA ASN 40 HA ASN 40 4.682 0.833 -7.217 322 HB2 ASN 40 1HB ASN 40 4.950 1.006 -10.196 323 HB3 ASN 40 2HB ASN 40 3.932 1.949 -9.111 324 HD21 ASN 40 2HD2 ASN 40 5.595 2.950 -7.297 325 HD22 ASN 40 1HD2 ASN 40 6.797 3.952 -8.032 326 H ASN 41 H ASN 41 5.525 -1.801 -7.083 327 HA ASN 41 HA ASN 41 4.640 -3.537 -9.056 328 HB2 ASN 41 1HB ASN 41 4.170 -5.065 -6.950 329 HB3 ASN 41 2HB ASN 41 5.817 -4.634 -7.406 330 HD21 ASN 41 2HD2 ASN 41 6.516 -4.959 -5.284 331 HD22 ASN 41 1HD2 ASN 41 6.186 -3.812 -4.035 332 H LYS 42 H LYS 42 2.840 -3.142 -6.018 333 HA LYS 42 HA LYS 42 0.429 -2.251 -7.079 334 HB2 LYS 42 1HB LYS 42 0.199 -4.226 -8.363 335 HB3 LYS 42 2HB LYS 42 0.742 -5.247 -7.037 336 HG2 LYS 42 1HG LYS 42 -1.289 -5.109 -5.929 337 HG3 LYS 42 2HG LYS 42 -1.771 -3.645 -6.789 338 HD2 LYS 42 1HD LYS 42 -2.938 -4.951 -8.166 339 HD3 LYS 42 2HD LYS 42 -1.398 -5.552 -8.784 340 HE2 LYS 42 1HE LYS 42 -1.487 -7.472 -7.520 341 HE3 LYS 42 2HE LYS 42 -2.525 -6.745 -6.295 342 HZ1 LYS 42 3HZ LYS 42 -3.257 -8.263 -8.562 343 HZ2 LYS 42 1HZ LYS 42 -3.965 -6.729 -8.659 344 HZ3 LYS 42 2HZ LYS 42 -4.233 -7.700 -7.301 345 H CYS 43 H CYS 43 -1.167 -2.021 -5.506 346 HA CYS 43 HA CYS 43 -0.805 -3.279 -2.916 347 HB2 CYS 43 1HB CYS 43 -0.426 -1.354 -1.659 348 HB3 CYS 43 2HB CYS 43 0.586 -1.093 -3.073 349 HG CYS 43 HG CYS 43 -2.362 0.427 -2.293 350 H THR 44 H THR 44 -2.554 -2.279 -1.353 351 HA THR 44 HA THR 44 -4.942 -1.290 -2.562 352 HB THR 44 HB THR 44 -5.878 -3.731 -1.458 353 HG1 THR 44 1HG THR 44 -4.796 -5.251 -2.674 354 HG21 THR 44 3HG2 THR 44 -6.725 -2.152 -3.354 355 HG22 THR 44 1HG2 THR 44 -7.069 -3.879 -3.440 356 HG23 THR 44 2HG2 THR 44 -5.758 -3.192 -4.399 357 H VAL 45 H VAL 45 -6.430 -0.593 -1.052 358 HA VAL 45 HA VAL 45 -5.922 -1.233 1.765 359 HB VAL 45 HB VAL 45 -6.136 1.554 0.628 360 HG11 VAL 45 1HG1 VAL 45 -6.327 0.588 3.471 361 HG12 VAL 45 2HG1 VAL 45 -5.925 2.253 3.046 362 HG13 VAL 45 3HG1 VAL 45 -7.483 1.573 2.576 363 HG21 VAL 45 3HG2 VAL 45 -3.964 -0.055 1.888 364 HG22 VAL 45 1HG2 VAL 45 -3.906 1.017 0.489 365 HG23 VAL 45 2HG2 VAL 45 -3.982 1.694 2.115 366 H ASP 46 H ASP 46 -7.717 -1.307 3.044 367 HA ASP 46 HA ASP 46 -10.289 -0.678 1.750 368 HB2 ASP 46 1HB ASP 46 -9.639 -3.168 2.148 369 HB3 ASP 46 2HB ASP 46 -10.015 -2.821 3.834 370 H THR 47 H THR 47 -10.629 1.303 2.675 371 HA THR 47 HA THR 47 -10.109 1.992 5.342 372 HB THR 47 HB THR 47 -10.440 3.792 3.856 373 HG1 THR 47 1HG THR 47 -11.396 4.696 5.519 374 HG21 THR 47 3HG2 THR 47 -11.681 2.829 2.088 375 HG22 THR 47 1HG2 THR 47 -12.693 4.123 2.727 376 HG23 THR 47 2HG2 THR 47 -13.038 2.445 3.147 377 H TYR 48 H TYR 48 -12.541 0.024 4.006 378 HA TYR 48 HA TYR 48 -14.745 0.437 5.609 379 HB2 TYR 48 1HB TYR 48 -14.778 -1.143 3.765 380 HB3 TYR 48 2HB TYR 48 -13.626 -2.184 4.594 381 HD1 TYR 48 2HD TYR 48 -17.081 -0.854 4.746 382 HD2 TYR 48 1HD TYR 48 -14.354 -3.801 6.152 383 HE1 TYR 48 2HE TYR 48 -18.944 -2.069 5.795 384 HE2 TYR 48 1HE TYR 48 -16.209 -5.024 7.205 385 HH TYR 48 HH TYR 48 -19.326 -4.624 6.470 386 H ASN 49 H ASN 49 -11.809 -1.389 6.332 387 HA ASN 49 HA ASN 49 -12.420 -1.186 9.173 388 HB2 ASN 49 1HB ASN 49 -13.238 -3.440 8.119 389 HB3 ASN 49 2HB ASN 49 -11.528 -3.860 8.149 390 HD21 ASN 49 2HD2 ASN 49 -11.188 -5.168 9.788 391 HD22 ASN 49 1HD2 ASN 49 -11.787 -4.964 11.395 392 H ASN 50 H ASN 50 -10.512 0.149 7.559 393 HA ASN 50 HA ASN 50 -8.285 0.622 7.384 394 HB2 ASN 50 1HB ASN 50 -8.933 0.748 9.945 395 HB3 ASN 50 2HB ASN 50 -7.834 -0.623 10.064 396 HD21 ASN 50 2HD2 ASN 50 -7.801 2.352 8.134 397 HD22 ASN 50 1HD2 ASN 50 -6.244 2.881 8.663 398 H ALA 51 H ALA 51 -8.508 -1.394 5.843 399 HA ALA 51 HA ALA 51 -6.736 -3.554 6.737 400 HB1 ALA 51 1HB ALA 51 -7.800 -4.945 5.309 401 HB2 ALA 51 2HB ALA 51 -9.087 -3.748 5.461 402 HB3 ALA 51 3HB ALA 51 -8.000 -3.703 4.073 403 H VAL 52 H VAL 52 -5.056 -4.315 5.282 404 HA VAL 52 HA VAL 52 -4.125 -2.416 3.271 405 HB VAL 52 HB VAL 52 -2.301 -3.325 5.499 406 HG11 VAL 52 1HG1 VAL 52 -0.629 -2.063 4.509 407 HG12 VAL 52 2HG1 VAL 52 -1.450 -2.766 3.113 408 HG13 VAL 52 3HG1 VAL 52 -1.771 -1.094 3.578 409 HG21 VAL 52 3HG2 VAL 52 -3.715 -1.811 6.569 410 HG22 VAL 52 1HG2 VAL 52 -2.357 -0.813 6.049 411 HG23 VAL 52 2HG2 VAL 52 -3.866 -0.793 5.137 412 H ASP 53 H ASP 53 -3.135 -3.381 1.589 413 HA ASP 53 HA ASP 53 -2.251 -6.166 1.896 414 HB2 ASP 53 1HB ASP 53 -4.481 -5.219 0.334 415 HB3 ASP 53 2HB ASP 53 -3.259 -5.923 -0.723 416 H CYS 54 H CYS 54 -1.262 -6.763 -0.478 417 HA CYS 54 HA CYS 54 0.205 -4.652 -1.719 418 HB2 CYS 54 1HB CYS 54 1.354 -5.294 0.593 419 HB3 CYS 54 2HB CYS 54 2.028 -6.595 -0.381 420 HG CYS 54 HG CYS 54 3.621 -5.136 -1.905 421 H ASP 55 H ASP 55 1.817 -5.544 -3.317 422 HA ASP 55 HA ASP 55 0.573 -7.525 -4.896 423 HB2 ASP 55 1HB ASP 55 2.206 -5.601 -5.565 424 HB3 ASP 55 2HB ASP 55 3.462 -6.790 -5.235
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