NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640877 | 6njf | 30532 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 9 H MET 9 -8.545 -19.062 1.634 2 HA MET 9 HA MET 9 -11.132 -20.434 1.932 3 HB2 MET 9 2HB MET 9 -8.784 -20.568 3.832 4 HB3 MET 9 3HB MET 9 -10.375 -21.251 4.141 5 HG2 MET 9 2HG MET 9 -10.018 -22.600 2.007 6 HG3 MET 9 3HG MET 9 -8.329 -22.115 2.132 7 HE1 MET 9 1HE MET 9 -6.918 -22.443 4.243 8 HE2 MET 9 2HE MET 9 -8.086 -22.190 5.541 9 HE3 MET 9 3HE MET 9 -7.176 -23.700 5.454 10 H THR 10 H THR 10 -12.295 -19.792 3.943 11 HA THR 10 HA THR 10 -11.839 -16.934 4.502 12 HB THR 10 HB THR 10 -14.478 -18.342 4.856 13 HG1 THR 10 HG1 THR 10 -13.722 -16.842 2.561 14 HG21 THR 10 1HG2 THR 10 -15.327 -16.301 5.307 15 HG22 THR 10 2HG2 THR 10 -14.328 -15.507 4.090 16 HG23 THR 10 3HG2 THR 10 -13.654 -15.885 5.674 17 H PHE 11 H PHE 11 -11.379 -16.360 6.524 18 HA PHE 11 HA PHE 11 -11.826 -18.336 8.662 19 HB2 PHE 11 2HB PHE 11 -9.589 -16.478 8.065 20 HB3 PHE 11 3HB PHE 11 -9.998 -16.702 9.763 21 HD1 PHE 11 HD1 PHE 11 -10.322 -19.240 10.461 22 HD2 PHE 11 HD2 PHE 11 -8.037 -17.884 7.137 23 HE1 PHE 11 HE1 PHE 11 -9.035 -21.337 10.495 24 HE2 PHE 11 HE2 PHE 11 -6.747 -19.979 7.165 25 HZ PHE 11 HZ PHE 11 -7.245 -21.709 8.845 26 H LYS 12 H LYS 12 -12.016 -17.290 10.881 27 HA LYS 12 HA LYS 12 -13.441 -14.730 10.787 28 HB2 LYS 12 2HB LYS 12 -14.970 -16.846 10.737 29 HB3 LYS 12 3HB LYS 12 -14.548 -16.976 12.440 30 HG2 LYS 12 2HG LYS 12 -15.280 -14.439 12.451 31 HG3 LYS 12 3HG LYS 12 -16.210 -14.954 11.041 32 HD2 LYS 12 2HD LYS 12 -17.237 -16.734 12.377 33 HD3 LYS 12 3HD LYS 12 -16.312 -16.209 13.785 34 HE2 LYS 12 2HE LYS 12 -18.377 -15.197 14.106 35 HE3 LYS 12 3HE LYS 12 -17.416 -13.914 13.372 36 HZ1 LYS 12 1HZ LYS 12 -18.547 -15.271 11.268 37 HZ2 LYS 12 2HZ LYS 12 -19.010 -13.756 11.858 38 HZ3 LYS 12 3HZ LYS 12 -19.788 -15.152 12.412 39 H LEU 13 H LEU 13 -12.258 -13.467 12.066 40 HA LEU 13 HA LEU 13 -11.194 -14.594 14.567 41 HB2 LEU 13 2HB LEU 13 -9.752 -13.434 12.687 42 HB3 LEU 13 3HB LEU 13 -10.294 -11.966 13.497 43 HG LEU 13 HG LEU 13 -9.026 -14.130 15.114 44 HD11 LEU 13 1HD1 LEU 13 -7.530 -12.137 13.417 45 HD12 LEU 13 2HD1 LEU 13 -7.511 -13.891 13.240 46 HD13 LEU 13 3HD1 LEU 13 -6.818 -13.143 14.679 47 HD21 LEU 13 1HD2 LEU 13 -8.141 -11.549 15.783 48 HD22 LEU 13 2HD2 LEU 13 -9.278 -12.567 16.668 49 HD23 LEU 13 3HD2 LEU 13 -9.871 -11.416 15.470 50 H ILE 14 H ILE 14 -12.119 -13.992 16.404 51 HA ILE 14 HA ILE 14 -14.035 -11.806 16.400 52 HB ILE 14 HB ILE 14 -13.319 -13.752 18.596 53 HG12 ILE 14 2HG1 ILE 14 -14.356 -14.811 16.617 54 HG13 ILE 14 3HG1 ILE 14 -15.410 -14.870 18.026 55 HG21 ILE 14 1HG2 ILE 14 -14.314 -12.197 19.875 56 HG22 ILE 14 2HG2 ILE 14 -15.055 -11.389 18.494 57 HG23 ILE 14 3HG2 ILE 14 -15.804 -12.833 19.177 58 HD11 ILE 14 1HD1 ILE 14 -15.921 -13.793 15.443 59 HD12 ILE 14 2HD1 ILE 14 -17.014 -13.956 16.818 60 HD13 ILE 14 3HD1 ILE 14 -16.032 -12.502 16.639 61 H ILE 15 H ILE 15 -13.417 -9.812 16.875 62 HA ILE 15 HA ILE 15 -10.911 -9.278 18.185 63 HB ILE 15 HB ILE 15 -13.091 -7.355 17.364 64 HG12 ILE 15 2HG1 ILE 15 -10.521 -8.083 15.942 65 HG13 ILE 15 3HG1 ILE 15 -12.117 -8.671 15.489 66 HG21 ILE 15 1HG2 ILE 15 -10.585 -6.105 17.355 67 HG22 ILE 15 2HG2 ILE 15 -11.922 -5.827 18.471 68 HG23 ILE 15 3HG2 ILE 15 -10.671 -7.005 18.869 69 HD11 ILE 15 1HD1 ILE 15 -10.942 -5.954 15.194 70 HD12 ILE 15 2HD1 ILE 15 -11.837 -6.932 14.030 71 HD13 ILE 15 3HD1 ILE 15 -12.689 -6.131 15.349 72 H ASN 16 H ASN 16 -10.585 -8.998 20.288 73 HA ASN 16 HA ASN 16 -12.797 -8.097 21.984 74 HB2 ASN 16 2HB ASN 16 -12.354 -10.704 21.935 75 HB3 ASN 16 3HB ASN 16 -11.038 -10.278 23.026 76 HD21 ASN 16 1HD2 ASN 16 -14.390 -9.185 22.606 77 HD22 ASN 16 2HD2 ASN 16 -14.848 -9.411 24.257 78 H GLY 17 H GLY 17 -12.058 -6.237 22.782 79 HA2 GLY 17 2HA GLY 17 -9.856 -6.152 24.553 80 HA3 GLY 17 3HA GLY 17 -9.383 -5.472 23.003 81 H LYS 18 H LYS 18 -9.049 -3.540 24.384 82 HA LYS 18 HA LYS 18 -11.488 -2.166 25.196 83 HB2 LYS 18 2HB LYS 18 -8.588 -1.344 25.447 84 HB3 LYS 18 3HB LYS 18 -9.956 -0.468 26.122 85 HG2 LYS 18 2HG LYS 18 -9.350 -3.317 26.849 86 HG3 LYS 18 3HG LYS 18 -8.654 -1.942 27.709 87 HD2 LYS 18 2HD LYS 18 -11.605 -2.041 27.296 88 HD3 LYS 18 3HD LYS 18 -10.883 -3.070 28.535 89 HE2 LYS 18 2HE LYS 18 -9.703 -0.921 29.322 90 HE3 LYS 18 3HE LYS 18 -10.900 -0.077 28.342 91 HZ1 LYS 18 1HZ LYS 18 -11.406 -0.483 30.803 92 HZ2 LYS 18 2HZ LYS 18 -11.729 -2.079 30.344 93 HZ3 LYS 18 3HZ LYS 18 -12.628 -0.809 29.678 94 H THR 19 H THR 19 -8.651 -1.470 23.151 95 HA THR 19 HA THR 19 -9.742 0.863 21.988 96 HB THR 19 HB THR 19 -7.666 -0.904 20.695 97 HG1 THR 19 HG1 THR 19 -6.511 -0.513 22.423 98 HG21 THR 19 1HG2 THR 19 -7.902 0.748 19.170 99 HG22 THR 19 2HG2 THR 19 -6.898 1.661 20.296 100 HG23 THR 19 3HG2 THR 19 -8.651 1.849 20.325 101 H LEU 20 H LEU 20 -9.485 -2.476 20.784 102 HA LEU 20 HA LEU 20 -11.484 -1.800 18.729 103 HB2 LEU 20 2HB LEU 20 -9.225 -3.766 18.771 104 HB3 LEU 20 3HB LEU 20 -10.588 -3.980 17.675 105 HG LEU 20 HG LEU 20 -8.713 -1.616 17.726 106 HD11 LEU 20 1HD1 LEU 20 -7.479 -3.339 16.786 107 HD12 LEU 20 2HD1 LEU 20 -8.224 -2.576 15.382 108 HD13 LEU 20 3HD1 LEU 20 -8.892 -4.074 16.028 109 HD21 LEU 20 1HD2 LEU 20 -10.571 -0.633 16.871 110 HD22 LEU 20 2HD2 LEU 20 -11.273 -2.161 16.339 111 HD23 LEU 20 3HD2 LEU 20 -9.989 -1.404 15.396 112 H LYS 21 H LYS 21 -13.225 -3.186 18.381 113 HA LYS 21 HA LYS 21 -13.571 -5.583 19.919 114 HB2 LYS 21 2HB LYS 21 -15.383 -4.896 21.306 115 HB3 LYS 21 3HB LYS 21 -14.080 -3.743 21.562 116 HG2 LYS 21 2HG LYS 21 -15.762 -2.261 21.333 117 HG3 LYS 21 3HG LYS 21 -15.398 -2.468 19.618 118 HD2 LYS 21 2HD LYS 21 -17.651 -2.813 19.558 119 HD3 LYS 21 3HD LYS 21 -17.123 -4.467 19.879 120 HE2 LYS 21 2HE LYS 21 -17.697 -2.612 22.153 121 HE3 LYS 21 3HE LYS 21 -19.027 -3.403 21.307 122 HZ1 LYS 21 1HZ LYS 21 -18.529 -4.850 23.026 123 HZ2 LYS 21 2HZ LYS 21 -16.858 -4.628 22.886 124 HZ3 LYS 21 3HZ LYS 21 -17.691 -5.531 21.723 125 H GLY 22 H GLY 22 -15.128 -6.902 19.061 126 HA2 GLY 22 2HA GLY 22 -17.406 -6.686 17.840 127 HA3 GLY 22 3HA GLY 22 -16.419 -5.896 16.619 128 H GLU 23 H GLU 23 -16.619 -7.349 14.982 129 HA GLU 23 HA GLU 23 -15.060 -9.749 15.172 130 HB2 GLU 23 2HB GLU 23 -16.783 -11.348 14.691 131 HB3 GLU 23 3HB GLU 23 -17.255 -10.456 16.130 132 HG2 GLU 23 2HG GLU 23 -18.643 -8.992 14.603 133 HG3 GLU 23 3HG GLU 23 -18.344 -10.192 13.347 134 H THR 24 H THR 24 -14.781 -10.802 13.101 135 HA THR 24 HA THR 24 -15.927 -9.833 10.710 136 HB THR 24 HB THR 24 -14.576 -7.825 11.271 137 HG1 THR 24 HG1 THR 24 -14.345 -7.624 9.181 138 HG21 THR 24 1HG2 THR 24 -12.148 -7.926 11.147 139 HG22 THR 24 2HG2 THR 24 -12.214 -9.668 10.885 140 HG23 THR 24 3HG2 THR 24 -12.734 -8.988 12.426 141 H THR 25 H THR 25 -14.628 -10.583 8.754 142 HA THR 25 HA THR 25 -13.311 -13.135 9.418 143 HB THR 25 HB THR 25 -14.032 -13.908 7.160 144 HG1 THR 25 HG1 THR 25 -14.346 -11.689 6.356 145 HG21 THR 25 1HG2 THR 25 -16.344 -14.320 7.757 146 HG22 THR 25 2HG2 THR 25 -16.314 -12.988 8.912 147 HG23 THR 25 3HG2 THR 25 -15.337 -14.427 9.200 148 H THR 26 H THR 26 -11.848 -13.914 7.582 149 HA THR 26 HA THR 26 -10.491 -11.767 6.157 150 HB THR 26 HB THR 26 -8.982 -13.564 8.065 151 HG1 THR 26 HG1 THR 26 -9.149 -10.754 8.281 152 HG21 THR 26 1HG2 THR 26 -7.174 -13.029 6.881 153 HG22 THR 26 2HG2 THR 26 -7.473 -11.324 7.220 154 HG23 THR 26 3HG2 THR 26 -8.158 -12.069 5.776 155 H GLU 27 H GLU 27 -9.837 -12.421 4.204 156 HA GLU 27 HA GLU 27 -9.967 -15.286 3.605 157 HB2 GLU 27 2HB GLU 27 -10.046 -12.840 1.840 158 HB3 GLU 27 3HB GLU 27 -9.934 -14.476 1.206 159 HG2 GLU 27 2HG GLU 27 -12.053 -15.017 2.371 160 HG3 GLU 27 3HG GLU 27 -12.178 -13.324 2.845 161 H ALA 28 H ALA 28 -8.073 -16.283 3.849 162 HA ALA 28 HA ALA 28 -5.721 -15.119 2.532 163 HB1 ALA 28 1HB ALA 28 -5.196 -16.590 5.037 164 HB2 ALA 28 2HB ALA 28 -4.388 -15.177 4.356 165 HB3 ALA 28 3HB ALA 28 -5.923 -14.992 5.204 166 H VAL 29 H VAL 29 -3.996 -16.738 2.149 167 HA VAL 29 HA VAL 29 -5.063 -19.063 0.931 168 HB VAL 29 HB VAL 29 -3.027 -17.921 0.115 169 HG11 VAL 29 1HG1 VAL 29 -2.110 -17.532 2.438 170 HG12 VAL 29 2HG1 VAL 29 -1.576 -19.214 2.412 171 HG13 VAL 29 3HG1 VAL 29 -0.945 -18.068 1.228 172 HG21 VAL 29 1HG2 VAL 29 -2.777 -20.832 0.847 173 HG22 VAL 29 2HG2 VAL 29 -3.400 -20.147 -0.654 174 HG23 VAL 29 3HG2 VAL 29 -1.686 -20.007 -0.266 175 H ASP 30 H ASP 30 -3.583 -18.429 4.031 176 HA ASP 30 HA ASP 30 -4.394 -21.052 4.960 177 HB2 ASP 30 2HB ASP 30 -2.124 -21.496 5.953 178 HB3 ASP 30 3HB ASP 30 -2.196 -21.614 4.197 179 H ALA 31 H ALA 31 -4.005 -21.270 7.354 180 HA ALA 31 HA ALA 31 -5.163 -19.154 8.736 181 HB1 ALA 31 1HB ALA 31 -3.421 -20.924 10.322 182 HB2 ALA 31 2HB ALA 31 -5.126 -20.523 10.527 183 HB3 ALA 31 3HB ALA 31 -4.641 -21.728 9.334 184 H ALA 32 H ALA 32 -1.791 -19.878 8.119 185 HA ALA 32 HA ALA 32 -0.614 -18.174 10.010 186 HB1 ALA 32 1HB ALA 32 1.314 -18.150 8.316 187 HB2 ALA 32 2HB ALA 32 0.829 -19.702 8.999 188 HB3 ALA 32 3HB ALA 32 0.315 -19.256 7.372 189 H THR 33 H THR 33 -1.522 -17.583 6.623 190 HA THR 33 HA THR 33 -0.682 -14.860 6.639 191 HB THR 33 HB THR 33 -2.635 -16.189 4.751 192 HG1 THR 33 HG1 THR 33 -0.573 -16.245 3.453 193 HG21 THR 33 1HG2 THR 33 -2.748 -14.223 3.711 194 HG22 THR 33 2HG2 THR 33 -0.991 -14.178 3.561 195 HG23 THR 33 3HG2 THR 33 -1.772 -13.505 4.992 196 H ALA 34 H ALA 34 -3.742 -16.507 7.204 197 HA ALA 34 HA ALA 34 -5.519 -14.398 7.113 198 HB1 ALA 34 1HB ALA 34 -6.218 -16.709 7.417 199 HB2 ALA 34 2HB ALA 34 -5.534 -16.716 9.043 200 HB3 ALA 34 3HB ALA 34 -6.910 -15.677 8.670 201 H GLU 35 H GLU 35 -3.238 -15.258 9.643 202 HA GLU 35 HA GLU 35 -4.275 -13.340 11.521 203 HB2 GLU 35 2HB GLU 35 -3.225 -15.302 12.415 204 HB3 GLU 35 3HB GLU 35 -1.763 -15.013 11.482 205 HG2 GLU 35 2HG GLU 35 -2.609 -12.902 13.377 206 HG3 GLU 35 3HG GLU 35 -1.963 -14.397 14.051 207 H LYS 36 H LYS 36 -1.667 -13.479 9.173 208 HA LYS 36 HA LYS 36 -0.313 -11.136 9.979 209 HB2 LYS 36 2HB LYS 36 -0.453 -12.559 7.320 210 HB3 LYS 36 3HB LYS 36 0.596 -11.181 7.623 211 HG2 LYS 36 2HG LYS 36 1.504 -12.581 9.585 212 HG3 LYS 36 3HG LYS 36 0.740 -13.943 8.761 213 HD2 LYS 36 2HD LYS 36 2.478 -12.121 7.173 214 HD3 LYS 36 3HD LYS 36 3.249 -13.263 8.277 215 HE2 LYS 36 2HE LYS 36 1.976 -15.093 7.195 216 HE3 LYS 36 3HE LYS 36 1.333 -13.924 6.042 217 HZ1 LYS 36 1HZ LYS 36 3.116 -14.756 4.902 218 HZ2 LYS 36 2HZ LYS 36 4.060 -14.983 6.286 219 HZ3 LYS 36 3HZ LYS 36 3.843 -13.428 5.657 220 H VAL 37 H VAL 37 -3.158 -11.684 8.056 221 HA VAL 37 HA VAL 37 -3.226 -9.116 6.812 222 HB VAL 37 HB VAL 37 -5.481 -11.071 7.283 223 HG11 VAL 37 1HG1 VAL 37 -6.290 -8.815 6.834 224 HG12 VAL 37 2HG1 VAL 37 -5.283 -8.733 5.387 225 HG13 VAL 37 3HG1 VAL 37 -6.616 -9.884 5.471 226 HG21 VAL 37 1HG2 VAL 37 -3.223 -11.149 5.522 227 HG22 VAL 37 2HG2 VAL 37 -4.511 -12.334 5.734 228 HG23 VAL 37 3HG2 VAL 37 -4.708 -11.014 4.581 229 H PHE 38 H PHE 38 -4.772 -10.520 9.675 230 HA PHE 38 HA PHE 38 -6.151 -8.073 10.315 231 HB2 PHE 38 2HB PHE 38 -7.223 -10.134 10.931 232 HB3 PHE 38 3HB PHE 38 -5.801 -10.670 11.819 233 HD1 PHE 38 HD1 PHE 38 -7.989 -7.643 11.779 234 HD2 PHE 38 HD2 PHE 38 -6.037 -10.636 14.091 235 HE1 PHE 38 HE1 PHE 38 -8.906 -6.648 13.835 236 HE2 PHE 38 HE2 PHE 38 -6.951 -9.647 16.150 237 HZ PHE 38 HZ PHE 38 -8.388 -7.651 16.024 238 H LYS 39 H LYS 39 -3.080 -9.458 10.975 239 HA LYS 39 HA LYS 39 -2.391 -8.405 13.430 240 HB2 LYS 39 2HB LYS 39 -0.875 -9.100 10.964 241 HB3 LYS 39 3HB LYS 39 -0.041 -8.154 12.190 242 HG2 LYS 39 2HG LYS 39 -1.494 -10.583 13.074 243 HG3 LYS 39 3HG LYS 39 0.011 -10.795 12.176 244 HD2 LYS 39 2HD LYS 39 -0.089 -8.880 14.468 245 HD3 LYS 39 3HD LYS 39 0.051 -10.611 14.782 246 HE2 LYS 39 2HE LYS 39 1.893 -9.070 12.961 247 HE3 LYS 39 3HE LYS 39 2.230 -9.389 14.661 248 HZ1 LYS 39 1HZ LYS 39 1.530 -11.798 13.393 249 HZ2 LYS 39 2HZ LYS 39 2.999 -11.376 14.117 250 HZ3 LYS 39 3HZ LYS 39 2.737 -11.042 12.480 251 H GLN 40 H GLN 40 -2.433 -6.817 10.279 252 HA GLN 40 HA GLN 40 -1.215 -4.405 11.120 253 HB2 GLN 40 2HB GLN 40 -1.315 -5.009 8.769 254 HB3 GLN 40 3HB GLN 40 -3.072 -4.964 8.803 255 HG2 GLN 40 2HG GLN 40 -2.888 -2.531 9.409 256 HG3 GLN 40 3HG GLN 40 -1.165 -2.658 9.056 257 HE21 GLN 40 1HE2 GLN 40 -4.366 -3.168 7.657 258 HE22 GLN 40 2HE2 GLN 40 -3.910 -2.805 6.031 259 H TYR 41 H TYR 41 -4.498 -5.593 11.192 260 HA TYR 41 HA TYR 41 -5.777 -3.106 11.653 261 HB2 TYR 41 2HB TYR 41 -6.654 -5.625 11.114 262 HB3 TYR 41 3HB TYR 41 -7.025 -5.506 12.831 263 HD1 TYR 41 HD1 TYR 41 -8.571 -5.321 9.871 264 HD2 TYR 41 HD2 TYR 41 -7.909 -2.828 13.255 265 HE1 TYR 41 HE1 TYR 41 -10.613 -4.060 9.335 266 HE2 TYR 41 HE2 TYR 41 -9.950 -1.561 12.729 267 HH TYR 41 HH TYR 41 -12.233 -2.632 10.414 268 H ALA 42 H ALA 42 -5.062 -5.776 13.911 269 HA ALA 42 HA ALA 42 -5.728 -4.356 16.242 270 HB1 ALA 42 1HB ALA 42 -3.809 -6.234 16.990 271 HB2 ALA 42 2HB ALA 42 -5.561 -6.444 16.984 272 HB3 ALA 42 3HB ALA 42 -4.610 -6.929 15.581 273 H ASN 43 H ASN 43 -2.771 -4.553 14.380 274 HA ASN 43 HA ASN 43 -1.096 -3.362 16.364 275 HB2 ASN 43 2HB ASN 43 -0.161 -4.781 14.599 276 HB3 ASN 43 3HB ASN 43 -0.702 -3.635 13.376 277 HD21 ASN 43 1HD2 ASN 43 1.713 -3.940 12.971 278 HD22 ASN 43 2HD2 ASN 43 2.754 -2.783 13.721 279 H ASP 44 H ASP 44 -2.353 -2.129 13.261 280 HA ASP 44 HA ASP 44 -1.530 0.507 13.553 281 HB2 ASP 44 2HB ASP 44 -2.403 -0.415 11.448 282 HB3 ASP 44 3HB ASP 44 -4.013 -0.512 12.156 283 H ASN 45 H ASN 45 -4.236 -1.167 14.969 284 HA ASN 45 HA ASN 45 -5.480 1.282 15.904 285 HB2 ASN 45 2HB ASN 45 -6.163 -1.629 16.016 286 HB3 ASN 45 3HB ASN 45 -6.922 -0.531 17.165 287 HD21 ASN 45 1HD2 ASN 45 -6.375 -1.088 13.729 288 HD22 ASN 45 2HD2 ASN 45 -7.828 -0.323 13.190 289 H GLY 46 H GLY 46 -3.167 -1.005 16.997 290 HA2 GLY 46 2HA GLY 46 -1.755 -0.593 18.854 291 HA3 GLY 46 3HA GLY 46 -3.016 0.408 19.559 292 H LEU 47 H LEU 47 -4.895 -1.928 18.742 293 HA LEU 47 HA LEU 47 -4.983 -3.126 21.308 294 HB2 LEU 47 2HB LEU 47 -6.820 -2.791 19.459 295 HB3 LEU 47 3HB LEU 47 -6.290 -4.392 18.947 296 HG LEU 47 HG LEU 47 -8.271 -4.503 20.372 297 HD11 LEU 47 1HD1 LEU 47 -7.588 -6.338 21.554 298 HD12 LEU 47 2HD1 LEU 47 -6.087 -5.579 22.083 299 HD13 LEU 47 3HD1 LEU 47 -6.240 -6.169 20.428 300 HD21 LEU 47 1HD2 LEU 47 -6.951 -3.855 22.870 301 HD22 LEU 47 2HD2 LEU 47 -8.519 -3.334 22.252 302 HD23 LEU 47 3HD2 LEU 47 -7.055 -2.462 21.793 303 H ASP 48 H ASP 48 -3.823 -4.748 22.085 304 HA ASP 48 HA ASP 48 -3.032 -6.958 20.382 305 HB2 ASP 48 2HB ASP 48 -1.163 -5.426 20.072 306 HB3 ASP 48 3HB ASP 48 -0.984 -5.255 21.816 307 H GLY 49 H GLY 49 -3.042 -8.843 21.466 308 HA2 GLY 49 2HA GLY 49 -2.724 -8.830 24.375 309 HA3 GLY 49 3HA GLY 49 -4.245 -9.428 23.730 310 H GLU 50 H GLU 50 -4.375 -11.538 23.359 311 HA GLU 50 HA GLU 50 -1.874 -13.029 22.909 312 HB2 GLU 50 2HB GLU 50 -4.202 -13.693 24.693 313 HB3 GLU 50 3HB GLU 50 -3.127 -14.947 24.090 314 HG2 GLU 50 2HG GLU 50 -1.242 -13.481 25.063 315 HG3 GLU 50 3HG GLU 50 -2.536 -12.704 25.974 316 H TRP 51 H TRP 51 -1.832 -14.155 21.084 317 HA TRP 51 HA TRP 51 -4.244 -14.379 19.490 318 HB2 TRP 51 2HB TRP 51 -1.368 -15.116 18.911 319 HB3 TRP 51 3HB TRP 51 -2.686 -15.286 17.755 320 HD1 TRP 51 HD1 TRP 51 -0.614 -12.596 19.548 321 HE1 TRP 51 HE1 TRP 51 -0.853 -10.385 18.252 322 HE3 TRP 51 HE3 TRP 51 -4.187 -14.014 16.178 323 HZ2 TRP 51 HZ2 TRP 51 -2.358 -9.376 16.088 324 HZ3 TRP 51 HZ3 TRP 51 -4.973 -12.366 14.529 325 HH2 TRP 51 HH2 TRP 51 -4.076 -10.095 14.486 326 H THR 52 H THR 52 -5.498 -16.117 19.423 327 HA THR 52 HA THR 52 -4.446 -18.647 20.501 328 HB THR 52 HB THR 52 -6.694 -19.277 21.064 329 HG1 THR 52 HG1 THR 52 -8.316 -18.449 20.000 330 HG21 THR 52 1HG2 THR 52 -6.644 -16.401 21.889 331 HG22 THR 52 2HG2 THR 52 -5.382 -17.498 22.451 332 HG23 THR 52 3HG2 THR 52 -7.072 -17.829 22.831 333 H TYR 53 H TYR 53 -4.521 -20.486 19.313 334 HA TYR 53 HA TYR 53 -5.811 -20.359 16.671 335 HB2 TYR 53 2HB TYR 53 -3.166 -21.725 17.164 336 HB3 TYR 53 3HB TYR 53 -3.939 -21.393 15.618 337 HD1 TYR 53 HD1 TYR 53 -4.676 -18.593 15.806 338 HD2 TYR 53 HD2 TYR 53 -1.168 -20.555 17.202 339 HE1 TYR 53 HE1 TYR 53 -3.433 -16.478 15.636 340 HE2 TYR 53 HE2 TYR 53 0.085 -18.445 17.037 341 HH TYR 53 HH TYR 53 -1.507 -15.437 16.028 342 H ASP 54 H ASP 54 -6.971 -22.108 16.098 343 HA ASP 54 HA ASP 54 -6.611 -24.617 17.555 344 HB2 ASP 54 2HB ASP 54 -9.121 -22.966 17.503 345 HB3 ASP 54 3HB ASP 54 -9.203 -24.716 17.679 346 H ASP 55 H ASP 55 -6.467 -26.208 16.132 347 HA ASP 55 HA ASP 55 -7.292 -25.819 13.395 348 HB2 ASP 55 2HB ASP 55 -5.236 -27.181 14.489 349 HB3 ASP 55 3HB ASP 55 -6.391 -28.496 14.292 350 H ALA 56 H ALA 56 -8.498 -27.419 16.224 351 HA ALA 56 HA ALA 56 -10.217 -29.289 15.021 352 HB1 ALA 56 1HB ALA 56 -9.509 -28.878 17.534 353 HB2 ALA 56 2HB ALA 56 -11.031 -27.986 17.564 354 HB3 ALA 56 3HB ALA 56 -11.018 -29.693 17.119 355 H THR 57 H THR 57 -10.811 -25.958 16.113 356 HA THR 57 HA THR 57 -13.440 -26.012 14.828 357 HB THR 57 HB THR 57 -13.464 -25.115 17.062 358 HG1 THR 57 HG1 THR 57 -14.289 -22.997 16.562 359 HG21 THR 57 1HG2 THR 57 -11.317 -23.243 16.065 360 HG22 THR 57 2HG2 THR 57 -11.188 -24.436 17.358 361 HG23 THR 57 3HG2 THR 57 -12.200 -23.008 17.573 362 H LYS 58 H LYS 58 -10.250 -24.830 14.362 363 HA LYS 58 HA LYS 58 -9.269 -23.609 12.713 364 HB2 LYS 58 2HB LYS 58 -11.865 -24.047 11.226 365 HB3 LYS 58 3HB LYS 58 -10.321 -23.589 10.519 366 HG2 LYS 58 2HG LYS 58 -10.298 -25.816 10.077 367 HG3 LYS 58 3HG LYS 58 -9.528 -25.829 11.665 368 HD2 LYS 58 2HD LYS 58 -11.355 -26.739 12.695 369 HD3 LYS 58 3HD LYS 58 -12.492 -26.019 11.552 370 HE2 LYS 58 2HE LYS 58 -10.596 -28.107 10.588 371 HE3 LYS 58 3HE LYS 58 -11.999 -28.602 11.534 372 HZ1 LYS 58 1HZ LYS 58 -12.297 -28.556 9.053 373 HZ2 LYS 58 2HZ LYS 58 -12.218 -26.869 9.141 374 HZ3 LYS 58 3HZ LYS 58 -13.456 -27.700 9.941 375 H THR 59 H THR 59 -10.241 -22.082 14.698 376 HA THR 59 HA THR 59 -11.166 -19.692 13.264 377 HB THR 59 HB THR 59 -12.185 -20.382 16.018 378 HG1 THR 59 HG1 THR 59 -13.191 -21.048 13.466 379 HG21 THR 59 1HG2 THR 59 -13.867 -18.668 15.497 380 HG22 THR 59 2HG2 THR 59 -13.097 -18.394 13.934 381 HG23 THR 59 3HG2 THR 59 -12.231 -18.015 15.422 382 H PHE 60 H PHE 60 -10.468 -17.711 14.128 383 HA PHE 60 HA PHE 60 -8.203 -17.960 15.989 384 HB2 PHE 60 2HB PHE 60 -8.758 -16.112 13.692 385 HB3 PHE 60 3HB PHE 60 -7.650 -15.622 14.970 386 HD1 PHE 60 HD1 PHE 60 -8.267 -18.753 13.028 387 HD2 PHE 60 HD2 PHE 60 -5.450 -15.874 14.404 388 HE1 PHE 60 HE1 PHE 60 -6.456 -20.004 11.929 389 HE2 PHE 60 HE2 PHE 60 -3.635 -17.120 13.306 390 HZ PHE 60 HZ PHE 60 -4.137 -19.187 12.066 391 H THR 61 H THR 61 -7.906 -16.373 17.612 392 HA THR 61 HA THR 61 -10.074 -14.505 18.130 393 HB THR 61 HB THR 61 -9.329 -16.249 20.434 394 HG1 THR 61 HG1 THR 61 -11.106 -17.645 19.808 395 HG21 THR 61 1HG2 THR 61 -12.060 -15.740 20.397 396 HG22 THR 61 2HG2 THR 61 -11.334 -14.264 19.760 397 HG23 THR 61 3HG2 THR 61 -10.845 -14.878 21.339 398 H ILE 62 H ILE 62 -9.592 -13.111 20.039 399 HA ILE 62 HA ILE 62 -6.839 -13.022 20.925 400 HB ILE 62 HB ILE 62 -6.632 -11.831 18.826 401 HG12 ILE 62 2HG1 ILE 62 -6.689 -9.862 21.122 402 HG13 ILE 62 3HG1 ILE 62 -5.392 -11.016 20.828 403 HG21 ILE 62 1HG2 ILE 62 -8.707 -9.889 19.815 404 HG22 ILE 62 2HG2 ILE 62 -7.939 -9.939 18.229 405 HG23 ILE 62 3HG2 ILE 62 -9.064 -11.211 18.704 406 HD11 ILE 62 1HD1 ILE 62 -5.804 -8.420 19.703 407 HD12 ILE 62 2HD1 ILE 62 -4.411 -9.494 19.565 408 HD13 ILE 62 3HD1 ILE 62 -5.748 -9.631 18.423 409 H THR 63 H THR 63 -6.839 -12.450 22.990 410 HA THR 63 HA THR 63 -9.085 -10.828 23.997 411 HB THR 63 HB THR 63 -8.485 -11.887 26.247 412 HG1 THR 63 HG1 THR 63 -6.481 -12.795 25.622 413 HG21 THR 63 1HG2 THR 63 -9.402 -14.192 24.789 414 HG22 THR 63 2HG2 THR 63 -10.163 -12.730 24.162 415 HG23 THR 63 3HG2 THR 63 -10.298 -13.129 25.874 416 H GLU 64 H GLU 64 -8.651 -8.975 25.043 417 HA GLU 64 HA GLU 64 -5.823 -8.355 25.590 418 HB2 GLU 64 2HB GLU 64 -7.175 -7.050 23.779 419 HB3 GLU 64 3HB GLU 64 -7.905 -6.242 25.158 420 HG2 GLU 64 2HG GLU 64 -4.975 -6.318 24.479 421 HG3 GLU 64 3HG GLU 64 -6.063 -4.943 24.295 Start of MODEL 2 1 H MET 9 H MET 9 -8.282 -19.020 1.749 2 HA MET 9 HA MET 9 -10.831 -20.468 2.050 3 HB2 MET 9 2HB MET 9 -8.342 -20.560 3.761 4 HB3 MET 9 3HB MET 9 -9.871 -21.302 4.212 5 HG2 MET 9 2HG MET 9 -9.737 -22.896 2.518 6 HG3 MET 9 3HG MET 9 -8.519 -21.982 1.631 7 HE1 MET 9 1HE MET 9 -7.325 -24.212 1.285 8 HE2 MET 9 2HE MET 9 -6.080 -22.999 1.585 9 HE3 MET 9 3HE MET 9 -5.961 -24.590 2.338 10 H THR 10 H THR 10 -12.329 -19.721 3.482 11 HA THR 10 HA THR 10 -11.953 -17.000 4.433 12 HB THR 10 HB THR 10 -14.430 -18.713 4.677 13 HG1 THR 10 HG1 THR 10 -13.449 -18.156 2.453 14 HG21 THR 10 1HG2 THR 10 -14.819 -16.914 6.059 15 HG22 THR 10 2HG2 THR 10 -15.390 -16.265 4.521 16 HG23 THR 10 3HG2 THR 10 -13.788 -15.833 5.119 17 H PHE 11 H PHE 11 -11.621 -16.422 6.491 18 HA PHE 11 HA PHE 11 -11.936 -18.477 8.578 19 HB2 PHE 11 2HB PHE 11 -9.624 -16.729 7.933 20 HB3 PHE 11 3HB PHE 11 -9.986 -16.966 9.641 21 HD1 PHE 11 HD1 PHE 11 -10.389 -19.481 10.330 22 HD2 PHE 11 HD2 PHE 11 -8.214 -18.214 6.897 23 HE1 PHE 11 HE1 PHE 11 -9.216 -21.643 10.279 24 HE2 PHE 11 HE2 PHE 11 -7.038 -20.373 6.840 25 HZ PHE 11 HZ PHE 11 -7.539 -22.093 8.532 26 H LYS 12 H LYS 12 -11.953 -17.436 10.825 27 HA LYS 12 HA LYS 12 -13.385 -14.867 10.768 28 HB2 LYS 12 2HB LYS 12 -14.796 -17.073 11.066 29 HB3 LYS 12 3HB LYS 12 -14.199 -16.987 12.717 30 HG2 LYS 12 2HG LYS 12 -15.077 -14.566 12.676 31 HG3 LYS 12 3HG LYS 12 -15.995 -15.088 11.261 32 HD2 LYS 12 2HD LYS 12 -16.869 -16.985 12.677 33 HD3 LYS 12 3HD LYS 12 -16.137 -16.179 14.067 34 HE2 LYS 12 2HE LYS 12 -17.474 -14.109 13.175 35 HE3 LYS 12 3HE LYS 12 -18.453 -15.341 12.382 36 HZ1 LYS 12 1HZ LYS 12 -19.478 -14.968 14.431 37 HZ2 LYS 12 2HZ LYS 12 -18.014 -14.937 15.278 38 HZ3 LYS 12 3HZ LYS 12 -18.606 -16.398 14.665 39 H LEU 13 H LEU 13 -12.861 -13.452 12.354 40 HA LEU 13 HA LEU 13 -11.174 -14.401 14.563 41 HB2 LEU 13 2HB LEU 13 -10.011 -13.218 12.511 42 HB3 LEU 13 3HB LEU 13 -10.584 -11.760 13.320 43 HG LEU 13 HG LEU 13 -9.038 -13.733 14.924 44 HD11 LEU 13 1HD1 LEU 13 -7.956 -13.212 12.574 45 HD12 LEU 13 2HD1 LEU 13 -6.988 -13.254 14.048 46 HD13 LEU 13 3HD1 LEU 13 -7.509 -11.707 13.379 47 HD21 LEU 13 1HD2 LEU 13 -8.120 -11.494 15.770 48 HD22 LEU 13 2HD2 LEU 13 -9.793 -11.898 16.155 49 HD23 LEU 13 3HD2 LEU 13 -9.438 -10.761 14.854 50 H ILE 14 H ILE 14 -12.179 -13.931 16.393 51 HA ILE 14 HA ILE 14 -14.121 -11.781 16.508 52 HB ILE 14 HB ILE 14 -13.261 -13.677 18.695 53 HG12 ILE 14 2HG1 ILE 14 -14.197 -14.918 16.821 54 HG13 ILE 14 3HG1 ILE 14 -15.347 -14.897 18.153 55 HG21 ILE 14 1HG2 ILE 14 -14.297 -11.677 19.571 56 HG22 ILE 14 2HG2 ILE 14 -15.646 -11.851 18.450 57 HG23 ILE 14 3HG2 ILE 14 -15.406 -13.038 19.732 58 HD11 ILE 14 1HD1 ILE 14 -15.925 -12.665 16.538 59 HD12 ILE 14 2HD1 ILE 14 -15.699 -14.046 15.463 60 HD13 ILE 14 3HD1 ILE 14 -16.882 -14.127 16.768 61 H ILE 15 H ILE 15 -13.493 -9.776 16.928 62 HA ILE 15 HA ILE 15 -10.977 -9.224 18.228 63 HB ILE 15 HB ILE 15 -13.125 -7.292 17.345 64 HG12 ILE 15 2HG1 ILE 15 -10.581 -8.085 15.915 65 HG13 ILE 15 3HG1 ILE 15 -12.175 -8.716 15.516 66 HG21 ILE 15 1HG2 ILE 15 -10.579 -6.114 17.273 67 HG22 ILE 15 2HG2 ILE 15 -11.905 -5.750 18.375 68 HG23 ILE 15 3HG2 ILE 15 -10.691 -6.949 18.822 69 HD11 ILE 15 1HD1 ILE 15 -11.688 -6.991 13.975 70 HD12 ILE 15 2HD1 ILE 15 -12.892 -6.353 15.096 71 HD13 ILE 15 3HD1 ILE 15 -11.199 -5.888 15.261 72 H ASN 16 H ASN 16 -10.858 -9.443 20.369 73 HA ASN 16 HA ASN 16 -12.980 -8.216 22.000 74 HB2 ASN 16 2HB ASN 16 -12.753 -10.854 21.913 75 HB3 ASN 16 3HB ASN 16 -11.457 -10.554 23.068 76 HD21 ASN 16 1HD2 ASN 16 -12.131 -8.949 24.841 77 HD22 ASN 16 2HD2 ASN 16 -13.670 -9.251 25.567 78 H GLY 17 H GLY 17 -11.736 -6.316 22.186 79 HA2 GLY 17 2HA GLY 17 -9.598 -6.545 24.176 80 HA3 GLY 17 3HA GLY 17 -9.227 -5.722 22.668 81 H LYS 18 H LYS 18 -8.759 -4.089 24.512 82 HA LYS 18 HA LYS 18 -11.087 -2.719 25.537 83 HB2 LYS 18 2HB LYS 18 -8.227 -1.762 25.628 84 HB3 LYS 18 3HB LYS 18 -9.552 -1.296 26.686 85 HG2 LYS 18 2HG LYS 18 -8.322 -4.042 26.550 86 HG3 LYS 18 3HG LYS 18 -7.972 -2.820 27.775 87 HD2 LYS 18 2HD LYS 18 -10.174 -2.924 28.640 88 HD3 LYS 18 3HD LYS 18 -10.752 -3.848 27.252 89 HE2 LYS 18 2HE LYS 18 -10.504 -5.324 29.139 90 HE3 LYS 18 3HE LYS 18 -9.279 -5.715 27.933 91 HZ1 LYS 18 1HZ LYS 18 -7.741 -4.263 29.267 92 HZ2 LYS 18 2HZ LYS 18 -8.194 -5.717 30.003 93 HZ3 LYS 18 3HZ LYS 18 -8.912 -4.264 30.489 94 H THR 19 H THR 19 -8.388 -1.822 23.384 95 HA THR 19 HA THR 19 -9.586 0.623 22.563 96 HB THR 19 HB THR 19 -7.440 -0.929 21.107 97 HG1 THR 19 HG1 THR 19 -7.199 -0.223 23.500 98 HG21 THR 19 1HG2 THR 19 -7.702 0.748 19.638 99 HG22 THR 19 2HG2 THR 19 -6.925 1.760 20.855 100 HG23 THR 19 3HG2 THR 19 -8.683 1.691 20.758 101 H LEU 20 H LEU 20 -9.248 -2.552 20.996 102 HA LEU 20 HA LEU 20 -11.183 -1.700 18.959 103 HB2 LEU 20 2HB LEU 20 -8.986 -3.691 19.042 104 HB3 LEU 20 3HB LEU 20 -10.388 -4.071 18.043 105 HG LEU 20 HG LEU 20 -8.642 -1.625 17.764 106 HD11 LEU 20 1HD1 LEU 20 -8.098 -2.760 15.556 107 HD12 LEU 20 2HD1 LEU 20 -8.772 -4.226 16.268 108 HD13 LEU 20 3HD1 LEU 20 -7.372 -3.450 17.009 109 HD21 LEU 20 1HD2 LEU 20 -11.117 -2.560 16.357 110 HD22 LEU 20 2HD2 LEU 20 -9.939 -1.527 15.544 111 HD23 LEU 20 3HD2 LEU 20 -10.743 -0.965 17.010 112 H LYS 21 H LYS 21 -12.948 -3.060 18.406 113 HA LYS 21 HA LYS 21 -13.583 -5.360 20.002 114 HB2 LYS 21 2HB LYS 21 -15.588 -4.475 21.050 115 HB3 LYS 21 3HB LYS 21 -14.188 -3.535 21.549 116 HG2 LYS 21 2HG LYS 21 -14.798 -1.842 19.826 117 HG3 LYS 21 3HG LYS 21 -16.279 -2.755 19.531 118 HD2 LYS 21 2HD LYS 21 -16.594 -2.528 22.112 119 HD3 LYS 21 3HD LYS 21 -15.461 -1.185 21.941 120 HE2 LYS 21 2HE LYS 21 -17.933 -1.444 20.247 121 HE3 LYS 21 3HE LYS 21 -17.940 -0.628 21.811 122 HZ1 LYS 21 1HZ LYS 21 -17.608 0.841 19.833 123 HZ2 LYS 21 2HZ LYS 21 -16.098 0.113 19.610 124 HZ3 LYS 21 3HZ LYS 21 -16.418 0.980 21.027 125 H GLY 22 H GLY 22 -15.045 -6.666 19.000 126 HA2 GLY 22 2HA GLY 22 -17.179 -6.434 17.543 127 HA3 GLY 22 3HA GLY 22 -16.049 -5.707 16.410 128 H GLU 23 H GLU 23 -16.514 -7.339 14.879 129 HA GLU 23 HA GLU 23 -14.790 -9.610 15.073 130 HB2 GLU 23 2HB GLU 23 -16.602 -11.306 14.735 131 HB3 GLU 23 3HB GLU 23 -16.575 -10.581 16.337 132 HG2 GLU 23 2HG GLU 23 -18.344 -9.434 14.229 133 HG3 GLU 23 3HG GLU 23 -18.826 -10.902 15.078 134 H THR 24 H THR 24 -14.543 -10.712 13.080 135 HA THR 24 HA THR 24 -16.102 -10.078 10.782 136 HB THR 24 HB THR 24 -14.814 -7.956 11.031 137 HG1 THR 24 HG1 THR 24 -14.982 -7.935 8.929 138 HG21 THR 24 1HG2 THR 24 -12.422 -9.694 10.410 139 HG22 THR 24 2HG2 THR 24 -12.760 -8.956 11.976 140 HG23 THR 24 3HG2 THR 24 -12.430 -7.939 10.575 141 H THR 25 H THR 25 -14.895 -10.851 8.727 142 HA THR 25 HA THR 25 -13.534 -13.365 9.422 143 HB THR 25 HB THR 25 -14.204 -14.098 7.109 144 HG1 THR 25 HG1 THR 25 -14.707 -12.302 5.996 145 HG21 THR 25 1HG2 THR 25 -16.704 -14.236 7.728 146 HG22 THR 25 2HG2 THR 25 -16.232 -13.407 9.212 147 HG23 THR 25 3HG2 THR 25 -15.533 -14.978 8.818 148 H THR 26 H THR 26 -11.828 -14.119 8.009 149 HA THR 26 HA THR 26 -10.456 -11.976 6.533 150 HB THR 26 HB THR 26 -9.051 -13.963 8.326 151 HG1 THR 26 HG1 THR 26 -9.973 -12.548 9.717 152 HG21 THR 26 1HG2 THR 26 -7.883 -12.970 6.262 153 HG22 THR 26 2HG2 THR 26 -7.059 -12.838 7.816 154 HG23 THR 26 3HG2 THR 26 -7.912 -11.447 7.148 155 H GLU 27 H GLU 27 -10.061 -12.550 4.506 156 HA GLU 27 HA GLU 27 -10.130 -15.385 3.790 157 HB2 GLU 27 2HB GLU 27 -10.390 -12.842 2.200 158 HB3 GLU 27 3HB GLU 27 -10.134 -14.394 1.417 159 HG2 GLU 27 2HG GLU 27 -12.182 -15.254 2.345 160 HG3 GLU 27 3HG GLU 27 -12.420 -13.774 3.272 161 H ALA 28 H ALA 28 -8.162 -16.261 4.135 162 HA ALA 28 HA ALA 28 -5.893 -15.037 2.711 163 HB1 ALA 28 1HB ALA 28 -4.569 -16.257 4.667 164 HB2 ALA 28 2HB ALA 28 -5.156 -14.600 4.815 165 HB3 ALA 28 3HB ALA 28 -6.070 -15.927 5.532 166 H VAL 29 H VAL 29 -4.068 -16.688 2.436 167 HA VAL 29 HA VAL 29 -5.144 -18.952 1.058 168 HB VAL 29 HB VAL 29 -3.175 -17.836 0.181 169 HG11 VAL 29 1HG1 VAL 29 -1.409 -17.241 1.403 170 HG12 VAL 29 2HG1 VAL 29 -2.355 -17.710 2.818 171 HG13 VAL 29 3HG1 VAL 29 -1.237 -18.860 2.083 172 HG21 VAL 29 1HG2 VAL 29 -1.739 -19.794 -0.180 173 HG22 VAL 29 2HG2 VAL 29 -2.566 -20.635 1.132 174 HG23 VAL 29 3HG2 VAL 29 -3.449 -20.198 -0.331 175 H ASP 30 H ASP 30 -3.716 -18.398 4.184 176 HA ASP 30 HA ASP 30 -4.335 -21.149 4.930 177 HB2 ASP 30 2HB ASP 30 -1.818 -20.755 4.231 178 HB3 ASP 30 3HB ASP 30 -1.703 -20.070 5.849 179 H ALA 31 H ALA 31 -3.798 -21.381 7.414 180 HA ALA 31 HA ALA 31 -5.390 -19.397 8.732 181 HB1 ALA 31 1HB ALA 31 -4.576 -22.071 9.240 182 HB2 ALA 31 2HB ALA 31 -4.138 -21.082 10.634 183 HB3 ALA 31 3HB ALA 31 -5.807 -21.116 10.067 184 H ALA 32 H ALA 32 -1.996 -20.434 8.989 185 HA ALA 32 HA ALA 32 -1.147 -18.748 11.002 186 HB1 ALA 32 1HB ALA 32 1.001 -19.276 10.389 187 HB2 ALA 32 2HB ALA 32 0.107 -20.582 9.610 188 HB3 ALA 32 3HB ALA 32 0.647 -19.195 8.664 189 H THR 33 H THR 33 -1.765 -18.024 7.632 190 HA THR 33 HA THR 33 -0.597 -15.386 7.782 191 HB THR 33 HB THR 33 -2.415 -16.336 5.582 192 HG1 THR 33 HG1 THR 33 -0.430 -17.141 4.606 193 HG21 THR 33 1HG2 THR 33 -1.718 -13.992 5.541 194 HG22 THR 33 2HG2 THR 33 -0.988 -14.888 4.208 195 HG23 THR 33 3HG2 THR 33 -0.029 -14.486 5.632 196 H ALA 34 H ALA 34 -3.767 -16.835 8.042 197 HA ALA 34 HA ALA 34 -5.405 -14.630 7.666 198 HB1 ALA 34 1HB ALA 34 -6.108 -16.516 9.847 199 HB2 ALA 34 2HB ALA 34 -7.091 -15.903 8.516 200 HB3 ALA 34 3HB ALA 34 -5.904 -17.173 8.223 201 H GLU 35 H GLU 35 -3.309 -15.411 10.319 202 HA GLU 35 HA GLU 35 -4.519 -13.544 12.152 203 HB2 GLU 35 2HB GLU 35 -3.456 -15.460 13.113 204 HB3 GLU 35 3HB GLU 35 -1.963 -15.146 12.240 205 HG2 GLU 35 2HG GLU 35 -2.939 -13.043 14.083 206 HG3 GLU 35 3HG GLU 35 -2.277 -14.516 14.791 207 H LYS 36 H LYS 36 -1.756 -13.606 9.975 208 HA LYS 36 HA LYS 36 -0.632 -11.142 10.849 209 HB2 LYS 36 2HB LYS 36 0.475 -13.049 9.501 210 HB3 LYS 36 3HB LYS 36 -0.260 -12.291 8.096 211 HG2 LYS 36 2HG LYS 36 0.894 -10.151 8.856 212 HG3 LYS 36 3HG LYS 36 1.834 -11.184 9.934 213 HD2 LYS 36 2HD LYS 36 2.320 -12.571 7.810 214 HD3 LYS 36 3HD LYS 36 1.778 -11.135 6.936 215 HE2 LYS 36 2HE LYS 36 4.004 -11.227 8.972 216 HE3 LYS 36 3HE LYS 36 4.214 -11.172 7.223 217 HZ1 LYS 36 1HZ LYS 36 4.440 -8.976 7.844 218 HZ2 LYS 36 2HZ LYS 36 3.241 -9.063 9.034 219 HZ3 LYS 36 3HZ LYS 36 2.809 -9.040 7.399 220 H VAL 37 H VAL 37 -3.204 -11.992 8.706 221 HA VAL 37 HA VAL 37 -3.253 -9.663 7.107 222 HB VAL 37 HB VAL 37 -5.560 -11.456 7.881 223 HG11 VAL 37 1HG1 VAL 37 -6.174 -10.532 5.432 224 HG12 VAL 37 2HG1 VAL 37 -6.713 -9.763 6.926 225 HG13 VAL 37 3HG1 VAL 37 -5.301 -9.140 6.072 226 HG21 VAL 37 1HG2 VAL 37 -4.749 -12.995 6.498 227 HG22 VAL 37 2HG2 VAL 37 -4.572 -11.807 5.205 228 HG23 VAL 37 3HG2 VAL 37 -3.270 -12.041 6.373 229 H PHE 38 H PHE 38 -5.005 -10.531 10.079 230 HA PHE 38 HA PHE 38 -6.237 -7.932 10.261 231 HB2 PHE 38 2HB PHE 38 -7.478 -9.835 11.079 232 HB3 PHE 38 3HB PHE 38 -6.167 -10.277 12.168 233 HD1 PHE 38 HD1 PHE 38 -7.954 -7.077 11.462 234 HD2 PHE 38 HD2 PHE 38 -6.796 -9.982 14.350 235 HE1 PHE 38 HE1 PHE 38 -8.974 -5.714 13.238 236 HE2 PHE 38 HE2 PHE 38 -7.816 -8.624 16.130 237 HZ PHE 38 HZ PHE 38 -8.907 -6.487 15.574 238 H LYS 39 H LYS 39 -3.333 -9.415 11.350 239 HA LYS 39 HA LYS 39 -2.722 -8.047 13.666 240 HB2 LYS 39 2HB LYS 39 -1.109 -9.217 11.455 241 HB3 LYS 39 3HB LYS 39 -0.283 -8.155 12.587 242 HG2 LYS 39 2HG LYS 39 -1.983 -10.332 13.682 243 HG3 LYS 39 3HG LYS 39 -0.419 -10.752 12.980 244 HD2 LYS 39 2HD LYS 39 -0.483 -8.470 14.871 245 HD3 LYS 39 3HD LYS 39 -0.718 -10.083 15.549 246 HE2 LYS 39 2HE LYS 39 1.556 -9.963 15.653 247 HE3 LYS 39 3HE LYS 39 1.378 -10.629 14.031 248 HZ1 LYS 39 1HZ LYS 39 1.410 -7.718 14.318 249 HZ2 LYS 39 2HZ LYS 39 2.001 -8.686 13.063 250 HZ3 LYS 39 3HZ LYS 39 2.877 -8.542 14.502 251 H GLN 40 H GLN 40 -2.440 -6.961 10.322 252 HA GLN 40 HA GLN 40 -1.040 -4.576 10.805 253 HB2 GLN 40 2HB GLN 40 -1.204 -5.403 8.565 254 HB3 GLN 40 3HB GLN 40 -2.961 -5.358 8.614 255 HG2 GLN 40 2HG GLN 40 -1.887 -2.754 9.164 256 HG3 GLN 40 3HG GLN 40 -1.225 -3.390 7.659 257 HE21 GLN 40 1HE2 GLN 40 -3.569 -1.516 8.813 258 HE22 GLN 40 2HE2 GLN 40 -4.800 -1.772 7.629 259 H TYR 41 H TYR 41 -4.476 -5.341 10.892 260 HA TYR 41 HA TYR 41 -5.394 -2.671 11.144 261 HB2 TYR 41 2HB TYR 41 -6.556 -5.233 10.944 262 HB3 TYR 41 3HB TYR 41 -7.154 -4.539 12.447 263 HD1 TYR 41 HD1 TYR 41 -7.367 -1.694 11.792 264 HD2 TYR 41 HD2 TYR 41 -8.319 -5.107 9.436 265 HE1 TYR 41 HE1 TYR 41 -9.001 -0.358 10.528 266 HE2 TYR 41 HE2 TYR 41 -9.953 -3.781 8.164 267 HH TYR 41 HH TYR 41 -10.046 -0.501 8.146 268 H ALA 42 H ALA 42 -5.107 -5.261 13.582 269 HA ALA 42 HA ALA 42 -5.713 -3.707 15.814 270 HB1 ALA 42 1HB ALA 42 -5.575 -5.710 16.753 271 HB2 ALA 42 2HB ALA 42 -4.792 -6.352 15.308 272 HB3 ALA 42 3HB ALA 42 -3.819 -5.655 16.603 273 H ASN 43 H ASN 43 -2.768 -3.983 13.982 274 HA ASN 43 HA ASN 43 -0.958 -2.985 15.891 275 HB2 ASN 43 2HB ASN 43 -0.084 -4.053 13.940 276 HB3 ASN 43 3HB ASN 43 -0.930 -2.937 12.872 277 HD21 ASN 43 1HD2 ASN 43 0.452 -1.653 11.908 278 HD22 ASN 43 2HD2 ASN 43 1.829 -0.903 12.634 279 H ASP 44 H ASP 44 -2.450 -1.271 13.138 280 HA ASP 44 HA ASP 44 -1.616 1.292 13.920 281 HB2 ASP 44 2HB ASP 44 -2.541 0.528 11.652 282 HB3 ASP 44 3HB ASP 44 -4.138 0.750 12.363 283 H ASN 45 H ASN 45 -4.379 -0.639 14.835 284 HA ASN 45 HA ASN 45 -5.789 1.519 16.100 285 HB2 ASN 45 2HB ASN 45 -6.154 -1.447 15.913 286 HB3 ASN 45 3HB ASN 45 -7.037 -0.550 17.145 287 HD21 ASN 45 1HD2 ASN 45 -7.074 -1.626 14.006 288 HD22 ASN 45 2HD2 ASN 45 -8.334 -0.619 13.388 289 H GLY 46 H GLY 46 -3.246 -0.608 16.982 290 HA2 GLY 46 2HA GLY 46 -1.892 -0.221 18.893 291 HA3 GLY 46 3HA GLY 46 -3.271 0.528 19.685 292 H LEU 47 H LEU 47 -4.838 -1.917 18.582 293 HA LEU 47 HA LEU 47 -4.850 -3.382 20.985 294 HB2 LEU 47 2HB LEU 47 -6.618 -3.162 19.076 295 HB3 LEU 47 3HB LEU 47 -5.792 -4.571 18.414 296 HG LEU 47 HG LEU 47 -7.793 -5.187 19.682 297 HD11 LEU 47 1HD1 LEU 47 -5.480 -6.471 19.675 298 HD12 LEU 47 2HD1 LEU 47 -6.860 -7.042 20.614 299 HD13 LEU 47 3HD1 LEU 47 -5.570 -6.135 21.404 300 HD21 LEU 47 1HD2 LEU 47 -6.865 -3.226 21.480 301 HD22 LEU 47 2HD2 LEU 47 -6.819 -4.768 22.335 302 HD23 LEU 47 3HD2 LEU 47 -8.324 -4.211 21.601 303 H ASP 48 H ASP 48 -3.700 -5.077 21.673 304 HA ASP 48 HA ASP 48 -2.425 -6.917 19.884 305 HB2 ASP 48 2HB ASP 48 -0.698 -5.337 19.656 306 HB3 ASP 48 3HB ASP 48 -0.792 -4.858 21.349 307 H GLY 49 H GLY 49 -3.086 -8.709 20.895 308 HA2 GLY 49 2HA GLY 49 -2.311 -9.038 23.715 309 HA3 GLY 49 3HA GLY 49 -3.956 -9.408 23.221 310 H GLU 50 H GLU 50 -3.507 -11.554 24.057 311 HA GLU 50 HA GLU 50 -1.563 -13.189 22.693 312 HB2 GLU 50 2HB GLU 50 -2.435 -13.382 25.146 313 HB3 GLU 50 3HB GLU 50 -3.754 -14.289 24.419 314 HG2 GLU 50 2HG GLU 50 -2.308 -15.971 24.967 315 HG3 GLU 50 3HG GLU 50 -1.831 -15.645 23.302 316 H TRP 51 H TRP 51 -1.907 -13.919 20.709 317 HA TRP 51 HA TRP 51 -4.572 -14.147 19.627 318 HB2 TRP 51 2HB TRP 51 -1.885 -14.824 18.412 319 HB3 TRP 51 3HB TRP 51 -3.417 -14.804 17.543 320 HD1 TRP 51 HD1 TRP 51 -1.110 -12.346 19.455 321 HE1 TRP 51 HE1 TRP 51 -1.392 -10.014 18.403 322 HE3 TRP 51 HE3 TRP 51 -4.809 -13.413 16.091 323 HZ2 TRP 51 HZ2 TRP 51 -2.974 -8.788 16.412 324 HZ3 TRP 51 HZ3 TRP 51 -5.651 -11.605 14.651 325 HH2 TRP 51 HH2 TRP 51 -4.752 -9.341 14.810 326 H THR 52 H THR 52 -5.777 -15.929 19.517 327 HA THR 52 HA THR 52 -4.608 -18.450 20.443 328 HB THR 52 HB THR 52 -6.815 -19.203 20.928 329 HG1 THR 52 HG1 THR 52 -7.677 -16.929 19.443 330 HG21 THR 52 1HG2 THR 52 -7.586 -17.582 22.516 331 HG22 THR 52 2HG2 THR 52 -6.789 -16.272 21.644 332 HG23 THR 52 3HG2 THR 52 -5.826 -17.494 22.471 333 H TYR 53 H TYR 53 -4.626 -20.307 19.244 334 HA TYR 53 HA TYR 53 -5.686 -20.123 16.504 335 HB2 TYR 53 2HB TYR 53 -3.126 -21.555 17.214 336 HB3 TYR 53 3HB TYR 53 -3.745 -21.180 15.610 337 HD1 TYR 53 HD1 TYR 53 -1.091 -20.446 17.389 338 HD2 TYR 53 HD2 TYR 53 -4.461 -18.352 15.852 339 HE1 TYR 53 HE1 TYR 53 0.215 -18.363 17.377 340 HE2 TYR 53 HE2 TYR 53 -3.164 -16.263 15.836 341 HH TYR 53 HH TYR 53 0.163 -16.158 17.061 342 H ASP 54 H ASP 54 -6.973 -21.749 15.927 343 HA ASP 54 HA ASP 54 -6.730 -24.332 17.287 344 HB2 ASP 54 2HB ASP 54 -9.387 -22.944 16.891 345 HB3 ASP 54 3HB ASP 54 -9.100 -24.477 17.711 346 H ASP 55 H ASP 55 -6.309 -25.711 15.696 347 HA ASP 55 HA ASP 55 -7.283 -25.256 13.013 348 HB2 ASP 55 2HB ASP 55 -4.977 -26.177 13.629 349 HB3 ASP 55 3HB ASP 55 -5.799 -27.695 13.981 350 H ALA 56 H ALA 56 -8.029 -27.305 15.737 351 HA ALA 56 HA ALA 56 -9.556 -29.265 14.434 352 HB1 ALA 56 1HB ALA 56 -10.023 -30.043 16.502 353 HB2 ALA 56 2HB ALA 56 -8.740 -28.925 16.967 354 HB3 ALA 56 3HB ALA 56 -10.430 -28.446 17.131 355 H THR 57 H THR 57 -10.287 -25.991 15.357 356 HA THR 57 HA THR 57 -13.072 -26.373 14.474 357 HB THR 57 HB THR 57 -13.746 -24.532 15.825 358 HG1 THR 57 HG1 THR 57 -11.012 -24.114 16.509 359 HG21 THR 57 1HG2 THR 57 -13.459 -26.613 17.061 360 HG22 THR 57 2HG2 THR 57 -13.064 -25.232 18.084 361 HG23 THR 57 3HG2 THR 57 -11.773 -26.207 17.382 362 H LYS 58 H LYS 58 -10.096 -24.781 13.858 363 HA LYS 58 HA LYS 58 -9.399 -23.394 12.195 364 HB2 LYS 58 2HB LYS 58 -12.089 -23.874 10.911 365 HB3 LYS 58 3HB LYS 58 -10.603 -23.370 10.117 366 HG2 LYS 58 2HG LYS 58 -10.924 -26.018 11.507 367 HG3 LYS 58 3HG LYS 58 -11.237 -25.768 9.788 368 HD2 LYS 58 2HD LYS 58 -8.616 -25.041 11.073 369 HD3 LYS 58 3HD LYS 58 -8.936 -26.650 10.420 370 HE2 LYS 58 2HE LYS 58 -9.248 -24.118 8.821 371 HE3 LYS 58 3HE LYS 58 -7.757 -25.055 8.867 372 HZ1 LYS 58 1HZ LYS 58 -10.388 -25.854 7.779 373 HZ2 LYS 58 2HZ LYS 58 -9.197 -26.996 8.148 374 HZ3 LYS 58 3HZ LYS 58 -8.893 -25.805 6.987 375 H THR 59 H THR 59 -10.366 -22.145 14.415 376 HA THR 59 HA THR 59 -11.556 -19.721 13.260 377 HB THR 59 HB THR 59 -12.342 -20.580 16.025 378 HG1 THR 59 HG1 THR 59 -14.071 -21.703 15.189 379 HG21 THR 59 1HG2 THR 59 -13.418 -18.713 13.930 380 HG22 THR 59 2HG2 THR 59 -12.944 -18.355 15.591 381 HG23 THR 59 3HG2 THR 59 -14.419 -19.267 15.272 382 H PHE 60 H PHE 60 -10.578 -17.878 13.860 383 HA PHE 60 HA PHE 60 -8.405 -18.081 15.817 384 HB2 PHE 60 2HB PHE 60 -8.954 -16.236 13.512 385 HB3 PHE 60 3HB PHE 60 -7.829 -15.765 14.781 386 HD1 PHE 60 HD1 PHE 60 -5.617 -16.166 14.368 387 HD2 PHE 60 HD2 PHE 60 -8.528 -18.764 12.669 388 HE1 PHE 60 HE1 PHE 60 -3.829 -17.437 13.254 389 HE2 PHE 60 HE2 PHE 60 -6.745 -20.041 11.553 390 HZ PHE 60 HZ PHE 60 -4.391 -19.378 11.846 391 H THR 61 H THR 61 -8.118 -16.493 17.435 392 HA THR 61 HA THR 61 -10.276 -14.604 17.921 393 HB THR 61 HB THR 61 -9.573 -16.347 20.241 394 HG1 THR 61 HG1 THR 61 -10.946 -17.927 19.611 395 HG21 THR 61 1HG2 THR 61 -11.376 -14.241 19.702 396 HG22 THR 61 2HG2 THR 61 -11.212 -15.174 21.190 397 HG23 THR 61 3HG2 THR 61 -12.345 -15.694 19.942 398 H ILE 62 H ILE 62 -9.758 -13.003 19.492 399 HA ILE 62 HA ILE 62 -7.005 -12.990 20.487 400 HB ILE 62 HB ILE 62 -6.860 -11.784 18.392 401 HG12 ILE 62 2HG1 ILE 62 -6.893 -9.813 20.685 402 HG13 ILE 62 3HG1 ILE 62 -5.598 -10.968 20.391 403 HG21 ILE 62 1HG2 ILE 62 -8.200 -9.892 17.846 404 HG22 ILE 62 2HG2 ILE 62 -9.293 -11.194 18.312 405 HG23 ILE 62 3HG2 ILE 62 -8.947 -9.886 19.443 406 HD11 ILE 62 1HD1 ILE 62 -4.769 -9.056 19.432 407 HD12 ILE 62 2HD1 ILE 62 -5.511 -9.852 18.046 408 HD13 ILE 62 3HD1 ILE 62 -6.349 -8.529 18.855 409 H THR 63 H THR 63 -6.967 -12.430 22.556 410 HA THR 63 HA THR 63 -9.186 -10.800 23.612 411 HB THR 63 HB THR 63 -8.393 -11.962 25.851 412 HG1 THR 63 HG1 THR 63 -7.900 -14.071 24.028 413 HG21 THR 63 1HG2 THR 63 -10.513 -12.298 24.098 414 HG22 THR 63 2HG2 THR 63 -10.401 -12.941 25.736 415 HG23 THR 63 3HG2 THR 63 -9.919 -13.936 24.363 416 H GLU 64 H GLU 64 -8.720 -9.075 24.900 417 HA GLU 64 HA GLU 64 -5.871 -8.530 25.418 418 HB2 GLU 64 2HB GLU 64 -7.212 -7.151 23.597 419 HB3 GLU 64 3HB GLU 64 -7.791 -6.281 25.011 420 HG2 GLU 64 2HG GLU 64 -4.926 -6.621 24.160 421 HG3 GLU 64 3HG GLU 64 -5.889 -5.147 24.072 Start of MODEL 3 1 H MET 9 H MET 9 -8.455 -18.982 1.414 2 HA MET 9 HA MET 9 -10.788 -20.584 2.234 3 HB2 MET 9 2HB MET 9 -8.116 -20.233 3.602 4 HB3 MET 9 3HB MET 9 -9.491 -21.064 4.317 5 HG2 MET 9 2HG MET 9 -8.509 -21.944 1.650 6 HG3 MET 9 3HG MET 9 -7.593 -22.383 3.090 7 HE1 MET 9 1HE MET 9 -8.041 -24.558 1.731 8 HE2 MET 9 2HE MET 9 -9.289 -25.682 2.266 9 HE3 MET 9 3HE MET 9 -9.610 -24.580 0.926 10 H THR 10 H THR 10 -12.106 -19.831 3.861 11 HA THR 10 HA THR 10 -11.733 -17.000 4.562 12 HB THR 10 HB THR 10 -14.265 -18.654 4.625 13 HG1 THR 10 HG1 THR 10 -14.600 -17.934 2.651 14 HG21 THR 10 1HG2 THR 10 -14.235 -16.846 6.296 15 HG22 THR 10 2HG2 THR 10 -15.406 -16.537 5.014 16 HG23 THR 10 3HG2 THR 10 -13.862 -15.687 5.021 17 H PHE 11 H PHE 11 -11.315 -16.446 6.598 18 HA PHE 11 HA PHE 11 -11.767 -18.453 8.707 19 HB2 PHE 11 2HB PHE 11 -9.468 -16.669 8.126 20 HB3 PHE 11 3HB PHE 11 -9.885 -16.891 9.822 21 HD1 PHE 11 HD1 PHE 11 -7.968 -18.122 7.184 22 HD2 PHE 11 HD2 PHE 11 -10.294 -19.421 10.504 23 HE1 PHE 11 HE1 PHE 11 -6.751 -20.259 7.195 24 HE2 PHE 11 HE2 PHE 11 -9.080 -21.561 10.520 25 HZ PHE 11 HZ PHE 11 -7.305 -21.982 8.866 26 H LYS 12 H LYS 12 -11.872 -17.388 10.945 27 HA LYS 12 HA LYS 12 -13.308 -14.828 10.836 28 HB2 LYS 12 2HB LYS 12 -14.847 -16.882 10.932 29 HB3 LYS 12 3HB LYS 12 -14.251 -17.101 12.572 30 HG2 LYS 12 2HG LYS 12 -14.982 -14.673 12.951 31 HG3 LYS 12 3HG LYS 12 -15.900 -14.864 11.455 32 HD2 LYS 12 2HD LYS 12 -16.811 -17.014 12.585 33 HD3 LYS 12 3HD LYS 12 -16.237 -16.270 14.080 34 HE2 LYS 12 2HE LYS 12 -17.685 -14.433 13.844 35 HE3 LYS 12 3HE LYS 12 -18.011 -14.801 12.151 36 HZ1 LYS 12 1HZ LYS 12 -19.759 -15.967 12.793 37 HZ2 LYS 12 2HZ LYS 12 -19.420 -15.655 14.420 38 HZ3 LYS 12 3HZ LYS 12 -18.763 -17.019 13.666 39 H LEU 13 H LEU 13 -12.296 -13.437 12.111 40 HA LEU 13 HA LEU 13 -10.967 -14.457 14.535 41 HB2 LEU 13 2HB LEU 13 -9.694 -13.282 12.542 42 HB3 LEU 13 3HB LEU 13 -10.257 -11.820 13.350 43 HG LEU 13 HG LEU 13 -8.795 -13.883 14.936 44 HD11 LEU 13 1HD1 LEU 13 -7.675 -12.248 12.746 45 HD12 LEU 13 2HD1 LEU 13 -7.122 -13.781 13.420 46 HD13 LEU 13 3HD1 LEU 13 -6.770 -12.272 14.260 47 HD21 LEU 13 1HD2 LEU 13 -9.496 -11.021 15.118 48 HD22 LEU 13 2HD2 LEU 13 -7.908 -11.478 15.736 49 HD23 LEU 13 3HD2 LEU 13 -9.360 -12.243 16.383 50 H ILE 14 H ILE 14 -12.133 -14.030 16.284 51 HA ILE 14 HA ILE 14 -14.005 -11.837 16.359 52 HB ILE 14 HB ILE 14 -13.223 -13.678 18.619 53 HG12 ILE 14 2HG1 ILE 14 -13.994 -14.970 16.673 54 HG13 ILE 14 3HG1 ILE 14 -15.161 -15.036 17.989 55 HG21 ILE 14 1HG2 ILE 14 -14.491 -12.234 19.765 56 HG22 ILE 14 2HG2 ILE 14 -15.150 -11.509 18.299 57 HG23 ILE 14 3HG2 ILE 14 -15.851 -12.994 18.941 58 HD11 ILE 14 1HD1 ILE 14 -16.288 -14.772 15.873 59 HD12 ILE 14 2HD1 ILE 14 -16.503 -13.323 16.856 60 HD13 ILE 14 3HD1 ILE 14 -15.348 -13.322 15.524 61 H ILE 15 H ILE 15 -13.469 -9.835 16.892 62 HA ILE 15 HA ILE 15 -10.951 -9.265 18.187 63 HB ILE 15 HB ILE 15 -13.120 -7.308 17.431 64 HG12 ILE 15 2HG1 ILE 15 -10.746 -8.242 15.803 65 HG13 ILE 15 3HG1 ILE 15 -12.428 -8.648 15.481 66 HG21 ILE 15 1HG2 ILE 15 -10.930 -6.886 18.967 67 HG22 ILE 15 2HG2 ILE 15 -10.286 -6.536 17.363 68 HG23 ILE 15 3HG2 ILE 15 -11.692 -5.653 17.961 69 HD11 ILE 15 1HD1 ILE 15 -11.118 -5.955 15.280 70 HD12 ILE 15 2HD1 ILE 15 -11.821 -6.923 13.984 71 HD13 ILE 15 3HD1 ILE 15 -12.863 -6.197 15.208 72 H ASN 16 H ASN 16 -10.637 -8.846 20.278 73 HA ASN 16 HA ASN 16 -12.875 -7.986 21.945 74 HB2 ASN 16 2HB ASN 16 -12.455 -10.593 21.925 75 HB3 ASN 16 3HB ASN 16 -11.139 -10.172 23.017 76 HD21 ASN 16 1HD2 ASN 16 -11.734 -10.581 25.014 77 HD22 ASN 16 2HD2 ASN 16 -13.264 -10.198 25.720 78 H GLY 17 H GLY 17 -12.094 -6.085 22.628 79 HA2 GLY 17 2HA GLY 17 -9.934 -6.003 24.471 80 HA3 GLY 17 3HA GLY 17 -9.432 -5.354 22.917 81 H LYS 18 H LYS 18 -9.129 -3.474 24.493 82 HA LYS 18 HA LYS 18 -11.567 -2.043 25.144 83 HB2 LYS 18 2HB LYS 18 -8.686 -1.191 25.487 84 HB3 LYS 18 3HB LYS 18 -10.093 -0.405 26.189 85 HG2 LYS 18 2HG LYS 18 -9.469 -3.273 26.782 86 HG3 LYS 18 3HG LYS 18 -8.691 -1.959 27.669 87 HD2 LYS 18 2HD LYS 18 -11.653 -1.908 27.382 88 HD3 LYS 18 3HD LYS 18 -10.942 -3.063 28.512 89 HE2 LYS 18 2HE LYS 18 -11.270 -1.222 29.862 90 HE3 LYS 18 3HE LYS 18 -9.598 -0.999 29.352 91 HZ1 LYS 18 1HZ LYS 18 -10.138 0.748 28.016 92 HZ2 LYS 18 2HZ LYS 18 -11.316 0.946 29.214 93 HZ3 LYS 18 3HZ LYS 18 -11.721 0.217 27.741 94 H THR 19 H THR 19 -8.633 -1.358 23.233 95 HA THR 19 HA THR 19 -9.665 0.981 22.025 96 HB THR 19 HB THR 19 -7.571 -0.715 20.700 97 HG1 THR 19 HG1 THR 19 -7.252 0.883 23.041 98 HG21 THR 19 1HG2 THR 19 -6.662 1.822 20.688 99 HG22 THR 19 2HG2 THR 19 -8.399 2.121 20.731 100 HG23 THR 19 3HG2 THR 19 -7.702 1.157 19.430 101 H LEU 20 H LEU 20 -9.488 -2.391 20.941 102 HA LEU 20 HA LEU 20 -11.311 -1.694 18.734 103 HB2 LEU 20 2HB LEU 20 -8.988 -3.525 18.909 104 HB3 LEU 20 3HB LEU 20 -10.353 -4.046 17.924 105 HG LEU 20 HG LEU 20 -8.793 -1.491 17.543 106 HD11 LEU 20 1HD1 LEU 20 -8.818 -3.975 15.839 107 HD12 LEU 20 2HD1 LEU 20 -7.552 -3.581 17.003 108 HD13 LEU 20 3HD1 LEU 20 -7.832 -2.530 15.615 109 HD21 LEU 20 1HD2 LEU 20 -10.362 -0.824 16.115 110 HD22 LEU 20 2HD2 LEU 20 -11.391 -2.100 16.766 111 HD23 LEU 20 3HD2 LEU 20 -10.413 -2.403 15.329 112 H LYS 21 H LYS 21 -13.043 -3.080 18.287 113 HA LYS 21 HA LYS 21 -13.531 -5.421 19.876 114 HB2 LYS 21 2HB LYS 21 -15.662 -4.536 20.859 115 HB3 LYS 21 3HB LYS 21 -14.200 -3.832 21.537 116 HG2 LYS 21 2HG LYS 21 -14.509 -1.869 20.071 117 HG3 LYS 21 3HG LYS 21 -16.027 -2.569 19.505 118 HD2 LYS 21 2HD LYS 21 -16.788 -2.605 21.899 119 HD3 LYS 21 3HD LYS 21 -15.341 -1.678 22.302 120 HE2 LYS 21 2HE LYS 21 -17.267 -0.213 22.024 121 HE3 LYS 21 3HE LYS 21 -16.055 0.098 20.782 122 HZ1 LYS 21 1HZ LYS 21 -18.297 -1.744 20.259 123 HZ2 LYS 21 2HZ LYS 21 -17.352 -0.879 19.154 124 HZ3 LYS 21 3HZ LYS 21 -18.505 -0.073 20.093 125 H GLY 22 H GLY 22 -15.081 -6.742 18.985 126 HA2 GLY 22 2HA GLY 22 -17.235 -6.580 17.581 127 HA3 GLY 22 3HA GLY 22 -16.172 -5.810 16.412 128 H GLU 23 H GLU 23 -16.592 -7.425 14.871 129 HA GLU 23 HA GLU 23 -14.832 -9.682 15.047 130 HB2 GLU 23 2HB GLU 23 -16.651 -11.365 14.602 131 HB3 GLU 23 3HB GLU 23 -16.620 -10.713 16.234 132 HG2 GLU 23 2HG GLU 23 -18.513 -9.382 15.858 133 HG3 GLU 23 3HG GLU 23 -18.407 -9.581 14.109 134 H THR 24 H THR 24 -14.662 -10.845 13.029 135 HA THR 24 HA THR 24 -16.125 -10.138 10.716 136 HB THR 24 HB THR 24 -14.916 -8.003 10.967 137 HG1 THR 24 HG1 THR 24 -13.912 -8.116 8.810 138 HG21 THR 24 1HG2 THR 24 -12.442 -9.707 10.647 139 HG22 THR 24 2HG2 THR 24 -12.911 -8.812 12.093 140 HG23 THR 24 3HG2 THR 24 -12.480 -7.945 10.619 141 H THR 25 H THR 25 -15.006 -10.950 8.690 142 HA THR 25 HA THR 25 -13.492 -13.380 9.369 143 HB THR 25 HB THR 25 -14.270 -14.226 7.136 144 HG1 THR 25 HG1 THR 25 -16.253 -12.228 7.177 145 HG21 THR 25 1HG2 THR 25 -16.193 -13.543 9.336 146 HG22 THR 25 2HG2 THR 25 -15.465 -15.099 8.939 147 HG23 THR 25 3HG2 THR 25 -16.729 -14.429 7.909 148 H THR 26 H THR 26 -11.754 -14.035 8.029 149 HA THR 26 HA THR 26 -10.592 -11.868 6.401 150 HB THR 26 HB THR 26 -9.060 -13.840 8.107 151 HG1 THR 26 HG1 THR 26 -9.886 -12.366 9.507 152 HG21 THR 26 1HG2 THR 26 -7.117 -12.451 7.551 153 HG22 THR 26 2HG2 THR 26 -8.128 -11.456 6.504 154 HG23 THR 26 3HG2 THR 26 -7.842 -13.149 6.103 155 H GLU 27 H GLU 27 -9.989 -12.382 4.387 156 HA GLU 27 HA GLU 27 -10.200 -15.197 3.582 157 HB2 GLU 27 2HB GLU 27 -10.577 -12.597 2.151 158 HB3 GLU 27 3HB GLU 27 -10.141 -14.029 1.228 159 HG2 GLU 27 2HG GLU 27 -12.125 -15.125 1.756 160 HG3 GLU 27 3HG GLU 27 -12.460 -14.058 3.119 161 H ALA 28 H ALA 28 -8.248 -16.125 3.834 162 HA ALA 28 HA ALA 28 -5.997 -14.914 2.380 163 HB1 ALA 28 1HB ALA 28 -5.137 -14.473 4.418 164 HB2 ALA 28 2HB ALA 28 -6.128 -15.690 5.221 165 HB3 ALA 28 3HB ALA 28 -4.672 -16.173 4.352 166 H VAL 29 H VAL 29 -4.144 -16.650 2.257 167 HA VAL 29 HA VAL 29 -5.271 -18.894 0.858 168 HB VAL 29 HB VAL 29 -3.236 -17.726 0.057 169 HG11 VAL 29 1HG1 VAL 29 -2.394 -17.837 2.640 170 HG12 VAL 29 2HG1 VAL 29 -1.457 -19.140 1.908 171 HG13 VAL 29 3HG1 VAL 29 -1.352 -17.504 1.257 172 HG21 VAL 29 1HG2 VAL 29 -3.856 -20.325 -0.170 173 HG22 VAL 29 2HG2 VAL 29 -2.447 -19.598 -0.943 174 HG23 VAL 29 3HG2 VAL 29 -2.267 -20.466 0.582 175 H ASP 30 H ASP 30 -3.882 -18.311 3.987 176 HA ASP 30 HA ASP 30 -4.632 -20.969 4.842 177 HB2 ASP 30 2HB ASP 30 -2.151 -20.894 3.917 178 HB3 ASP 30 3HB ASP 30 -1.821 -20.215 5.509 179 H ALA 31 H ALA 31 -3.883 -21.200 7.280 180 HA ALA 31 HA ALA 31 -5.205 -19.145 8.702 181 HB1 ALA 31 1HB ALA 31 -4.566 -21.735 9.233 182 HB2 ALA 31 2HB ALA 31 -3.438 -20.871 10.278 183 HB3 ALA 31 3HB ALA 31 -5.172 -20.582 10.423 184 H ALA 32 H ALA 32 -1.774 -20.018 8.414 185 HA ALA 32 HA ALA 32 -0.708 -18.168 10.192 186 HB1 ALA 32 1HB ALA 32 0.290 -20.005 8.333 187 HB2 ALA 32 2HB ALA 32 1.002 -18.450 7.899 188 HB3 ALA 32 3HB ALA 32 1.203 -19.087 9.531 189 H THR 33 H THR 33 -1.613 -17.783 6.801 190 HA THR 33 HA THR 33 -0.620 -15.091 6.633 191 HB THR 33 HB THR 33 -2.646 -16.159 4.708 192 HG1 THR 33 HG1 THR 33 -0.088 -17.197 5.205 193 HG21 THR 33 1HG2 THR 33 -0.503 -15.098 3.338 194 HG22 THR 33 2HG2 THR 33 -0.582 -14.099 4.790 195 HG23 THR 33 3HG2 THR 33 -1.992 -14.245 3.742 196 H ALA 34 H ALA 34 -3.769 -16.620 7.099 197 HA ALA 34 HA ALA 34 -5.426 -14.413 6.843 198 HB1 ALA 34 1HB ALA 34 -6.524 -16.448 7.030 199 HB2 ALA 34 2HB ALA 34 -5.620 -16.916 8.471 200 HB3 ALA 34 3HB ALA 34 -6.864 -15.671 8.578 201 H GLU 35 H GLU 35 -3.338 -15.351 9.487 202 HA GLU 35 HA GLU 35 -4.448 -13.505 11.376 203 HB2 GLU 35 2HB GLU 35 -3.225 -15.591 12.009 204 HB3 GLU 35 3HB GLU 35 -1.740 -14.846 11.431 205 HG2 GLU 35 2HG GLU 35 -1.593 -14.408 13.662 206 HG3 GLU 35 3HG GLU 35 -2.399 -12.944 13.099 207 H LYS 36 H LYS 36 -1.665 -13.517 9.199 208 HA LYS 36 HA LYS 36 -0.438 -11.161 10.059 209 HB2 LYS 36 2HB LYS 36 0.335 -12.946 8.330 210 HB3 LYS 36 3HB LYS 36 -0.511 -11.942 7.159 211 HG2 LYS 36 2HG LYS 36 0.887 -10.029 7.825 212 HG3 LYS 36 3HG LYS 36 1.766 -11.083 8.934 213 HD2 LYS 36 2HD LYS 36 2.840 -12.193 7.244 214 HD3 LYS 36 3HD LYS 36 1.531 -11.925 6.090 215 HE2 LYS 36 2HE LYS 36 3.069 -9.573 7.072 216 HE3 LYS 36 3HE LYS 36 3.830 -10.642 5.894 217 HZ1 LYS 36 1HZ LYS 36 1.150 -9.990 5.165 218 HZ2 LYS 36 2HZ LYS 36 2.578 -9.816 4.275 219 HZ3 LYS 36 3HZ LYS 36 2.097 -8.599 5.347 220 H VAL 37 H VAL 37 -3.272 -11.672 8.106 221 HA VAL 37 HA VAL 37 -3.419 -9.108 6.918 222 HB VAL 37 HB VAL 37 -5.659 -11.031 7.563 223 HG11 VAL 37 1HG1 VAL 37 -6.499 -8.786 7.171 224 HG12 VAL 37 2HG1 VAL 37 -5.572 -8.681 5.672 225 HG13 VAL 37 3HG1 VAL 37 -6.899 -9.835 5.811 226 HG21 VAL 37 1HG2 VAL 37 -5.271 -11.195 4.889 227 HG22 VAL 37 2HG2 VAL 37 -3.619 -10.933 5.447 228 HG23 VAL 37 3HG2 VAL 37 -4.553 -12.297 6.064 229 H PHE 38 H PHE 38 -5.282 -10.457 9.649 230 HA PHE 38 HA PHE 38 -6.336 -7.932 10.418 231 HB2 PHE 38 2HB PHE 38 -7.565 -9.911 10.993 232 HB3 PHE 38 3HB PHE 38 -6.186 -10.584 11.857 233 HD1 PHE 38 HD1 PHE 38 -8.419 -7.600 11.898 234 HD2 PHE 38 HD2 PHE 38 -6.112 -10.383 14.146 235 HE1 PHE 38 HE1 PHE 38 -9.243 -6.592 13.986 236 HE2 PHE 38 HE2 PHE 38 -6.933 -9.380 16.237 237 HZ PHE 38 HZ PHE 38 -8.501 -7.482 16.159 238 H LYS 39 H LYS 39 -3.376 -9.556 11.041 239 HA LYS 39 HA LYS 39 -2.610 -8.614 13.519 240 HB2 LYS 39 2HB LYS 39 -1.162 -9.385 11.040 241 HB3 LYS 39 3HB LYS 39 -0.251 -8.499 12.257 242 HG2 LYS 39 2HG LYS 39 -1.855 -10.847 13.121 243 HG3 LYS 39 3HG LYS 39 -0.345 -11.124 12.252 244 HD2 LYS 39 2HD LYS 39 -0.563 -9.360 14.684 245 HD3 LYS 39 3HD LYS 39 -0.151 -11.074 14.760 246 HE2 LYS 39 2HE LYS 39 1.756 -10.608 13.221 247 HE3 LYS 39 3HE LYS 39 1.381 -8.890 13.354 248 HZ1 LYS 39 1HZ LYS 39 1.619 -9.263 15.848 249 HZ2 LYS 39 2HZ LYS 39 3.037 -9.251 14.927 250 HZ3 LYS 39 3HZ LYS 39 2.380 -10.720 15.447 251 H GLN 40 H GLN 40 -2.661 -6.934 10.433 252 HA GLN 40 HA GLN 40 -1.236 -4.635 11.336 253 HB2 GLN 40 2HB GLN 40 -1.320 -5.167 8.973 254 HB3 GLN 40 3HB GLN 40 -3.074 -5.038 8.972 255 HG2 GLN 40 2HG GLN 40 -2.804 -2.633 9.619 256 HG3 GLN 40 3HG GLN 40 -1.075 -2.826 9.340 257 HE21 GLN 40 1HE2 GLN 40 -4.224 -3.198 7.785 258 HE22 GLN 40 2HE2 GLN 40 -3.682 -2.810 6.191 259 H TYR 41 H TYR 41 -4.601 -5.592 11.281 260 HA TYR 41 HA TYR 41 -5.745 -3.060 11.764 261 HB2 TYR 41 2HB TYR 41 -6.780 -5.465 11.181 262 HB3 TYR 41 3HB TYR 41 -7.054 -5.465 12.920 263 HD1 TYR 41 HD1 TYR 41 -7.803 -2.787 13.581 264 HD2 TYR 41 HD2 TYR 41 -8.761 -5.018 10.087 265 HE1 TYR 41 HE1 TYR 41 -9.820 -1.416 13.265 266 HE2 TYR 41 HE2 TYR 41 -10.781 -3.653 9.762 267 HH TYR 41 HH TYR 41 -11.878 -1.395 12.170 268 H ALA 42 H ALA 42 -5.137 -5.739 14.043 269 HA ALA 42 HA ALA 42 -5.747 -4.263 16.362 270 HB1 ALA 42 1HB ALA 42 -5.808 -6.520 16.750 271 HB2 ALA 42 2HB ALA 42 -4.347 -6.834 15.812 272 HB3 ALA 42 3HB ALA 42 -4.226 -6.124 17.422 273 H ASN 43 H ASN 43 -2.706 -4.843 14.658 274 HA ASN 43 HA ASN 43 -1.004 -3.672 16.579 275 HB2 ASN 43 2HB ASN 43 -0.138 -5.121 14.818 276 HB3 ASN 43 3HB ASN 43 -0.643 -3.966 13.588 277 HD21 ASN 43 1HD2 ASN 43 1.868 -4.991 15.521 278 HD22 ASN 43 2HD2 ASN 43 2.920 -3.634 15.332 279 H ASP 44 H ASP 44 -2.165 -2.336 13.479 280 HA ASP 44 HA ASP 44 -1.188 0.237 13.777 281 HB2 ASP 44 2HB ASP 44 -2.281 -0.780 11.726 282 HB3 ASP 44 3HB ASP 44 -3.834 -0.418 12.476 283 H ASN 45 H ASN 45 -4.270 -1.112 14.888 284 HA ASN 45 HA ASN 45 -5.254 1.343 15.941 285 HB2 ASN 45 2HB ASN 45 -6.054 -1.531 16.127 286 HB3 ASN 45 3HB ASN 45 -6.738 -0.390 17.281 287 HD21 ASN 45 1HD2 ASN 45 -6.327 -1.042 13.847 288 HD22 ASN 45 2HD2 ASN 45 -7.752 -0.211 13.334 289 H GLY 46 H GLY 46 -3.020 -1.002 17.071 290 HA2 GLY 46 2HA GLY 46 -1.563 -0.563 18.897 291 HA3 GLY 46 3HA GLY 46 -2.801 0.465 19.601 292 H LEU 47 H LEU 47 -4.722 -1.855 18.845 293 HA LEU 47 HA LEU 47 -4.875 -2.982 21.415 294 HB2 LEU 47 2HB LEU 47 -6.632 -2.787 19.490 295 HB3 LEU 47 3HB LEU 47 -6.011 -4.371 19.029 296 HG LEU 47 HG LEU 47 -8.052 -4.541 20.366 297 HD11 LEU 47 1HD1 LEU 47 -5.859 -5.511 22.142 298 HD12 LEU 47 2HD1 LEU 47 -6.014 -6.155 20.509 299 HD13 LEU 47 3HD1 LEU 47 -7.349 -6.317 21.650 300 HD21 LEU 47 1HD2 LEU 47 -8.132 -3.850 22.661 301 HD22 LEU 47 2HD2 LEU 47 -7.681 -2.459 21.676 302 HD23 LEU 47 3HD2 LEU 47 -6.453 -3.316 22.608 303 H ASP 48 H ASP 48 -3.812 -4.606 22.334 304 HA ASP 48 HA ASP 48 -2.514 -6.606 20.612 305 HB2 ASP 48 2HB ASP 48 -0.700 -5.229 21.255 306 HB3 ASP 48 3HB ASP 48 -1.303 -5.068 22.903 307 H GLY 49 H GLY 49 -3.212 -8.578 21.080 308 HA2 GLY 49 2HA GLY 49 -3.674 -9.311 23.877 309 HA3 GLY 49 3HA GLY 49 -5.021 -9.482 22.760 310 H GLU 50 H GLU 50 -3.639 -11.539 24.298 311 HA GLU 50 HA GLU 50 -1.830 -13.057 22.869 312 HB2 GLU 50 2HB GLU 50 -2.941 -13.392 25.237 313 HB3 GLU 50 3HB GLU 50 -4.033 -14.439 24.342 314 HG2 GLU 50 2HG GLU 50 -2.432 -16.000 23.929 315 HG3 GLU 50 3HG GLU 50 -1.122 -14.822 23.943 316 H TRP 51 H TRP 51 -1.896 -14.125 21.009 317 HA TRP 51 HA TRP 51 -4.393 -14.305 19.554 318 HB2 TRP 51 2HB TRP 51 -1.588 -15.118 18.762 319 HB3 TRP 51 3HB TRP 51 -2.985 -15.095 17.688 320 HD1 TRP 51 HD1 TRP 51 -0.286 -12.892 19.079 321 HE1 TRP 51 HE1 TRP 51 -0.561 -10.501 18.167 322 HE3 TRP 51 HE3 TRP 51 -4.922 -13.354 16.975 323 HZ2 TRP 51 HZ2 TRP 51 -2.488 -9.008 16.744 324 HZ3 TRP 51 HZ3 TRP 51 -5.910 -11.397 15.858 325 HH2 TRP 51 HH2 TRP 51 -4.718 -9.269 15.747 326 H THR 52 H THR 52 -5.610 -16.073 19.319 327 HA THR 52 HA THR 52 -4.576 -18.604 20.412 328 HB THR 52 HB THR 52 -6.887 -19.268 20.799 329 HG1 THR 52 HG1 THR 52 -7.590 -16.687 19.809 330 HG21 THR 52 1HG2 THR 52 -7.185 -18.044 22.709 331 HG22 THR 52 2HG2 THR 52 -6.860 -16.507 21.905 332 HG23 THR 52 3HG2 THR 52 -5.527 -17.581 22.329 333 H TYR 53 H TYR 53 -4.553 -20.415 19.190 334 HA TYR 53 HA TYR 53 -5.826 -20.328 16.544 335 HB2 TYR 53 2HB TYR 53 -3.477 -19.793 16.198 336 HB3 TYR 53 3HB TYR 53 -2.991 -21.212 17.121 337 HD1 TYR 53 HD1 TYR 53 -1.842 -22.532 15.576 338 HD2 TYR 53 HD2 TYR 53 -5.631 -20.913 14.512 339 HE1 TYR 53 HE1 TYR 53 -1.829 -23.872 13.514 340 HE2 TYR 53 HE2 TYR 53 -5.628 -22.249 12.447 341 HH TYR 53 HH TYR 53 -4.556 -23.768 11.238 342 H ASP 54 H ASP 54 -7.041 -22.054 16.163 343 HA ASP 54 HA ASP 54 -6.370 -24.593 17.479 344 HB2 ASP 54 2HB ASP 54 -8.242 -23.281 18.651 345 HB3 ASP 54 3HB ASP 54 -9.219 -23.648 17.231 346 H ASP 55 H ASP 55 -6.177 -26.161 16.037 347 HA ASP 55 HA ASP 55 -7.046 -25.788 13.320 348 HB2 ASP 55 2HB ASP 55 -5.028 -27.240 14.546 349 HB3 ASP 55 3HB ASP 55 -6.156 -28.481 14.004 350 H ALA 56 H ALA 56 -8.221 -27.425 16.140 351 HA ALA 56 HA ALA 56 -9.897 -29.329 14.936 352 HB1 ALA 56 1HB ALA 56 -10.675 -29.756 17.030 353 HB2 ALA 56 2HB ALA 56 -9.212 -28.868 17.458 354 HB3 ALA 56 3HB ALA 56 -10.774 -28.049 17.465 355 H THR 57 H THR 57 -10.710 -26.097 16.214 356 HA THR 57 HA THR 57 -13.272 -26.186 14.829 357 HB THR 57 HB THR 57 -13.330 -25.338 17.091 358 HG1 THR 57 HG1 THR 57 -14.572 -23.621 16.619 359 HG21 THR 57 1HG2 THR 57 -11.429 -24.361 17.801 360 HG22 THR 57 2HG2 THR 57 -12.141 -22.885 17.151 361 HG23 THR 57 3HG2 THR 57 -10.995 -23.810 16.182 362 H LYS 58 H LYS 58 -10.122 -24.882 14.425 363 HA LYS 58 HA LYS 58 -9.166 -23.593 12.813 364 HB2 LYS 58 2HB LYS 58 -11.730 -24.093 11.291 365 HB3 LYS 58 3HB LYS 58 -10.200 -23.559 10.608 366 HG2 LYS 58 2HG LYS 58 -10.435 -26.161 12.076 367 HG3 LYS 58 3HG LYS 58 -10.831 -26.021 10.362 368 HD2 LYS 58 2HD LYS 58 -8.205 -25.068 11.469 369 HD3 LYS 58 3HD LYS 58 -8.454 -26.743 10.974 370 HE2 LYS 58 2HE LYS 58 -9.078 -24.444 9.147 371 HE3 LYS 58 3HE LYS 58 -7.455 -25.120 9.260 372 HZ1 LYS 58 1HZ LYS 58 -8.229 -27.210 8.508 373 HZ2 LYS 58 2HZ LYS 58 -8.876 -26.058 7.453 374 HZ3 LYS 58 3HZ LYS 58 -9.852 -26.753 8.647 375 H THR 59 H THR 59 -10.188 -22.135 14.813 376 HA THR 59 HA THR 59 -11.241 -19.769 13.421 377 HB THR 59 HB THR 59 -12.127 -20.573 16.194 378 HG1 THR 59 HG1 THR 59 -13.408 -21.905 15.165 379 HG21 THR 59 1HG2 THR 59 -12.701 -18.400 16.222 380 HG22 THR 59 2HG2 THR 59 -14.004 -18.885 15.136 381 HG23 THR 59 3HG2 THR 59 -12.504 -18.230 14.478 382 H PHE 60 H PHE 60 -10.541 -17.777 14.206 383 HA PHE 60 HA PHE 60 -8.250 -17.930 16.047 384 HB2 PHE 60 2HB PHE 60 -8.839 -16.174 13.685 385 HB3 PHE 60 3HB PHE 60 -7.719 -15.635 14.932 386 HD1 PHE 60 HD1 PHE 60 -8.352 -18.809 13.067 387 HD2 PHE 60 HD2 PHE 60 -5.517 -15.925 14.394 388 HE1 PHE 60 HE1 PHE 60 -6.548 -20.093 11.992 389 HE2 PHE 60 HE2 PHE 60 -3.710 -17.204 13.322 390 HZ PHE 60 HZ PHE 60 -4.223 -19.290 12.118 391 H THR 61 H THR 61 -7.963 -16.279 17.605 392 HA THR 61 HA THR 61 -10.089 -14.361 18.042 393 HB THR 61 HB THR 61 -9.518 -16.113 20.391 394 HG1 THR 61 HG1 THR 61 -10.119 -17.613 18.807 395 HG21 THR 61 1HG2 THR 61 -11.270 -13.963 19.740 396 HG22 THR 61 2HG2 THR 61 -11.089 -14.807 21.279 397 HG23 THR 61 3HG2 THR 61 -12.246 -15.391 20.084 398 H ILE 62 H ILE 62 -9.606 -12.871 19.811 399 HA ILE 62 HA ILE 62 -6.878 -12.913 20.829 400 HB ILE 62 HB ILE 62 -6.612 -11.719 18.735 401 HG12 ILE 62 2HG1 ILE 62 -6.627 -9.795 21.070 402 HG13 ILE 62 3HG1 ILE 62 -5.349 -10.955 20.724 403 HG21 ILE 62 1HG2 ILE 62 -7.853 -9.784 18.137 404 HG22 ILE 62 2HG2 ILE 62 -9.021 -11.024 18.590 405 HG23 ILE 62 3HG2 ILE 62 -8.639 -9.722 19.715 406 HD11 ILE 62 1HD1 ILE 62 -5.810 -9.405 18.391 407 HD12 ILE 62 2HD1 ILE 62 -5.634 -8.319 19.769 408 HD13 ILE 62 3HD1 ILE 62 -4.367 -9.490 19.400 409 H THR 63 H THR 63 -6.865 -12.302 22.886 410 HA THR 63 HA THR 63 -9.094 -10.638 23.864 411 HB THR 63 HB THR 63 -8.683 -11.715 26.097 412 HG1 THR 63 HG1 THR 63 -7.120 -13.134 26.284 413 HG21 THR 63 1HG2 THR 63 -9.768 -13.068 23.700 414 HG22 THR 63 2HG2 THR 63 -10.555 -12.657 25.224 415 HG23 THR 63 3HG2 THR 63 -9.516 -14.078 25.123 416 H GLU 64 H GLU 64 -8.625 -8.810 24.944 417 HA GLU 64 HA GLU 64 -5.785 -8.261 25.499 418 HB2 GLU 64 2HB GLU 64 -6.940 -6.869 23.725 419 HB3 GLU 64 3HB GLU 64 -7.935 -6.202 25.013 420 HG2 GLU 64 2HG GLU 64 -4.952 -6.102 25.185 421 HG3 GLU 64 3HG GLU 64 -5.846 -4.912 24.240 Start of MODEL 4 1 H MET 9 H MET 9 -8.473 -19.298 1.906 2 HA MET 9 HA MET 9 -10.660 -21.113 2.464 3 HB2 MET 9 2HB MET 9 -8.488 -22.265 3.154 4 HB3 MET 9 3HB MET 9 -8.353 -21.033 4.401 5 HG2 MET 9 2HG MET 9 -9.338 -22.835 5.485 6 HG3 MET 9 3HG MET 9 -10.687 -21.760 5.125 7 HE1 MET 9 1HE MET 9 -8.962 -24.941 4.805 8 HE2 MET 9 2HE MET 9 -9.991 -25.998 3.838 9 HE3 MET 9 3HE MET 9 -8.849 -24.913 3.045 10 H THR 10 H THR 10 -12.201 -20.056 3.531 11 HA THR 10 HA THR 10 -11.740 -17.368 4.435 12 HB THR 10 HB THR 10 -14.241 -19.045 4.719 13 HG1 THR 10 HG1 THR 10 -14.867 -17.972 2.784 14 HG21 THR 10 1HG2 THR 10 -15.334 -16.782 4.768 15 HG22 THR 10 2HG2 THR 10 -13.723 -16.081 4.930 16 HG23 THR 10 3HG2 THR 10 -14.347 -17.157 6.180 17 H PHE 11 H PHE 11 -11.318 -16.690 6.437 18 HA PHE 11 HA PHE 11 -11.664 -18.603 8.654 19 HB2 PHE 11 2HB PHE 11 -9.386 -16.847 7.912 20 HB3 PHE 11 3HB PHE 11 -9.746 -16.998 9.628 21 HD1 PHE 11 HD1 PHE 11 -7.934 -18.348 6.967 22 HD2 PHE 11 HD2 PHE 11 -10.110 -19.485 10.445 23 HE1 PHE 11 HE1 PHE 11 -6.712 -20.484 7.029 24 HE2 PHE 11 HE2 PHE 11 -8.891 -21.621 10.513 25 HZ PHE 11 HZ PHE 11 -7.189 -22.123 8.804 26 H LYS 12 H LYS 12 -11.706 -17.432 10.834 27 HA LYS 12 HA LYS 12 -13.101 -14.858 10.656 28 HB2 LYS 12 2HB LYS 12 -14.667 -16.914 10.832 29 HB3 LYS 12 3HB LYS 12 -14.105 -17.013 12.495 30 HG2 LYS 12 2HG LYS 12 -14.847 -14.636 12.785 31 HG3 LYS 12 3HG LYS 12 -15.601 -14.754 11.195 32 HD2 LYS 12 2HD LYS 12 -16.842 -16.775 12.078 33 HD3 LYS 12 3HD LYS 12 -16.254 -16.324 13.680 34 HE2 LYS 12 2HE LYS 12 -17.501 -14.367 13.724 35 HE3 LYS 12 3HE LYS 12 -17.671 -14.319 11.970 36 HZ1 LYS 12 1HZ LYS 12 -19.670 -15.020 13.409 37 HZ2 LYS 12 2HZ LYS 12 -18.886 -16.514 13.511 38 HZ3 LYS 12 3HZ LYS 12 -19.332 -15.895 12.001 39 H LEU 13 H LEU 13 -12.055 -13.457 11.894 40 HA LEU 13 HA LEU 13 -10.735 -14.446 14.334 41 HB2 LEU 13 2HB LEU 13 -9.387 -13.419 12.368 42 HB3 LEU 13 3HB LEU 13 -10.001 -11.883 12.976 43 HG LEU 13 HG LEU 13 -8.572 -13.745 14.828 44 HD11 LEU 13 1HD1 LEU 13 -6.475 -13.160 14.126 45 HD12 LEU 13 2HD1 LEU 13 -7.027 -11.682 13.338 46 HD13 LEU 13 3HD1 LEU 13 -7.312 -13.247 12.577 47 HD21 LEU 13 1HD2 LEU 13 -9.023 -12.040 16.183 48 HD22 LEU 13 2HD2 LEU 13 -9.569 -11.031 14.843 49 HD23 LEU 13 3HD2 LEU 13 -7.856 -11.095 15.257 50 H ILE 14 H ILE 14 -11.843 -13.932 16.096 51 HA ILE 14 HA ILE 14 -13.707 -11.735 16.128 52 HB ILE 14 HB ILE 14 -12.848 -13.529 18.401 53 HG12 ILE 14 2HG1 ILE 14 -13.816 -14.824 16.566 54 HG13 ILE 14 3HG1 ILE 14 -14.925 -14.771 17.933 55 HG21 ILE 14 1HG2 ILE 14 -15.048 -11.515 18.084 56 HG22 ILE 14 2HG2 ILE 14 -15.156 -12.826 19.257 57 HG23 ILE 14 3HG2 ILE 14 -13.847 -11.650 19.368 58 HD11 ILE 14 1HD1 ILE 14 -15.111 -13.265 15.344 59 HD12 ILE 14 2HD1 ILE 14 -16.224 -14.471 15.992 60 HD13 ILE 14 3HD1 ILE 14 -16.100 -12.885 16.754 61 H ILE 15 H ILE 15 -13.597 -9.875 17.375 62 HA ILE 15 HA ILE 15 -10.894 -9.173 18.308 63 HB ILE 15 HB ILE 15 -13.103 -7.275 17.512 64 HG12 ILE 15 2HG1 ILE 15 -10.650 -8.084 15.937 65 HG13 ILE 15 3HG1 ILE 15 -12.281 -8.659 15.611 66 HG21 ILE 15 1HG2 ILE 15 -10.665 -6.000 17.284 67 HG22 ILE 15 2HG2 ILE 15 -11.827 -5.804 18.596 68 HG23 ILE 15 3HG2 ILE 15 -10.500 -6.955 18.758 69 HD11 ILE 15 1HD1 ILE 15 -12.016 -6.957 14.081 70 HD12 ILE 15 2HD1 ILE 15 -12.858 -6.149 15.404 71 HD13 ILE 15 3HD1 ILE 15 -11.118 -5.941 15.209 72 H ASN 16 H ASN 16 -10.782 -9.475 20.445 73 HA ASN 16 HA ASN 16 -12.930 -8.331 22.104 74 HB2 ASN 16 2HB ASN 16 -12.576 -10.955 21.984 75 HB3 ASN 16 3HB ASN 16 -11.294 -10.605 23.139 76 HD21 ASN 16 1HD2 ASN 16 -14.235 -11.736 23.058 77 HD22 ASN 16 2HD2 ASN 16 -14.905 -11.081 24.508 78 H GLY 17 H GLY 17 -11.878 -6.389 22.462 79 HA2 GLY 17 2HA GLY 17 -9.732 -6.517 24.421 80 HA3 GLY 17 3HA GLY 17 -9.323 -5.729 22.904 81 H LYS 18 H LYS 18 -8.924 -3.856 24.286 82 HA LYS 18 HA LYS 18 -11.320 -2.552 25.336 83 HB2 LYS 18 2HB LYS 18 -8.423 -1.699 25.507 84 HB3 LYS 18 3HB LYS 18 -9.774 -0.949 26.348 85 HG2 LYS 18 2HG LYS 18 -9.058 -3.836 26.746 86 HG3 LYS 18 3HG LYS 18 -8.307 -2.540 27.678 87 HD2 LYS 18 2HD LYS 18 -11.278 -2.618 27.496 88 HD3 LYS 18 3HD LYS 18 -10.469 -3.788 28.543 89 HE2 LYS 18 2HE LYS 18 -10.860 -2.017 29.981 90 HE3 LYS 18 3HE LYS 18 -9.203 -1.719 29.457 91 HZ1 LYS 18 1HZ LYS 18 -10.881 0.210 29.445 92 HZ2 LYS 18 2HZ LYS 18 -11.462 -0.488 28.019 93 HZ3 LYS 18 3HZ LYS 18 -9.853 0.025 28.114 94 H THR 19 H THR 19 -8.545 -1.681 23.268 95 HA THR 19 HA THR 19 -9.730 0.693 22.280 96 HB THR 19 HB THR 19 -7.616 -0.879 20.819 97 HG1 THR 19 HG1 THR 19 -7.010 1.027 22.815 98 HG21 THR 19 1HG2 THR 19 -7.923 0.931 19.495 99 HG22 THR 19 2HG2 THR 19 -6.902 1.722 20.694 100 HG23 THR 19 3HG2 THR 19 -8.655 1.882 20.787 101 H LEU 20 H LEU 20 -9.514 -2.602 21.000 102 HA LEU 20 HA LEU 20 -11.461 -1.842 18.923 103 HB2 LEU 20 2HB LEU 20 -9.189 -3.788 18.911 104 HB3 LEU 20 3HB LEU 20 -10.554 -4.005 17.819 105 HG LEU 20 HG LEU 20 -8.724 -1.606 17.904 106 HD11 LEU 20 1HD1 LEU 20 -8.267 -2.547 15.519 107 HD12 LEU 20 2HD1 LEU 20 -8.825 -4.067 16.217 108 HD13 LEU 20 3HD1 LEU 20 -7.435 -3.236 16.913 109 HD21 LEU 20 1HD2 LEU 20 -9.997 -1.361 15.587 110 HD22 LEU 20 2HD2 LEU 20 -10.623 -0.662 17.081 111 HD23 LEU 20 3HD2 LEU 20 -11.264 -2.195 16.488 112 H LYS 21 H LYS 21 -13.315 -2.995 18.728 113 HA LYS 21 HA LYS 21 -13.638 -5.485 20.205 114 HB2 LYS 21 2HB LYS 21 -15.611 -3.237 20.590 115 HB3 LYS 21 3HB LYS 21 -15.548 -4.773 21.444 116 HG2 LYS 21 2HG LYS 21 -13.506 -4.116 22.554 117 HG3 LYS 21 3HG LYS 21 -13.463 -2.609 21.635 118 HD2 LYS 21 2HD LYS 21 -15.219 -1.685 22.810 119 HD3 LYS 21 3HD LYS 21 -15.877 -3.258 23.268 120 HE2 LYS 21 2HE LYS 21 -13.188 -2.503 24.290 121 HE3 LYS 21 3HE LYS 21 -14.597 -1.718 25.001 122 HZ1 LYS 21 1HZ LYS 21 -15.510 -4.004 25.360 123 HZ2 LYS 21 2HZ LYS 21 -14.144 -3.632 26.285 124 HZ3 LYS 21 3HZ LYS 21 -13.997 -4.620 24.919 125 H GLY 22 H GLY 22 -15.101 -6.870 19.299 126 HA2 GLY 22 2HA GLY 22 -17.297 -6.800 17.948 127 HA3 GLY 22 3HA GLY 22 -16.302 -5.959 16.769 128 H GLU 23 H GLU 23 -16.248 -7.392 15.125 129 HA GLU 23 HA GLU 23 -14.543 -9.645 15.328 130 HB2 GLU 23 2HB GLU 23 -16.162 -11.417 14.851 131 HB3 GLU 23 3HB GLU 23 -16.499 -10.653 16.397 132 HG2 GLU 23 2HG GLU 23 -18.601 -10.790 15.529 133 HG3 GLU 23 3HG GLU 23 -18.129 -9.184 14.976 134 H THR 24 H THR 24 -14.248 -10.736 13.273 135 HA THR 24 HA THR 24 -15.583 -9.812 10.922 136 HB THR 24 HB THR 24 -14.118 -7.860 11.388 137 HG1 THR 24 HG1 THR 24 -13.225 -7.834 9.249 138 HG21 THR 24 1HG2 THR 24 -11.697 -8.089 11.086 139 HG22 THR 24 2HG2 THR 24 -11.879 -9.834 10.922 140 HG23 THR 24 3HG2 THR 24 -12.261 -9.047 12.453 141 H THR 25 H THR 25 -14.355 -10.601 8.904 142 HA THR 25 HA THR 25 -13.111 -13.201 9.529 143 HB THR 25 HB THR 25 -14.012 -13.980 7.326 144 HG1 THR 25 HG1 THR 25 -15.720 -11.716 7.452 145 HG21 THR 25 1HG2 THR 25 -15.847 -13.136 9.550 146 HG22 THR 25 2HG2 THR 25 -15.225 -14.744 9.176 147 HG23 THR 25 3HG2 THR 25 -16.454 -14.011 8.145 148 H THR 26 H THR 26 -11.892 -14.055 7.496 149 HA THR 26 HA THR 26 -10.620 -12.045 5.874 150 HB THR 26 HB THR 26 -8.978 -13.499 7.957 151 HG1 THR 26 HG1 THR 26 -9.282 -11.727 9.057 152 HG21 THR 26 1HG2 THR 26 -8.108 -11.598 5.776 153 HG22 THR 26 2HG2 THR 26 -7.805 -13.336 5.809 154 HG23 THR 26 3HG2 THR 26 -7.070 -12.289 7.023 155 H GLU 27 H GLU 27 -10.109 -12.916 3.968 156 HA GLU 27 HA GLU 27 -9.943 -15.848 3.794 157 HB2 GLU 27 2HB GLU 27 -10.785 -13.776 1.770 158 HB3 GLU 27 3HB GLU 27 -10.477 -15.454 1.348 159 HG2 GLU 27 2HG GLU 27 -12.286 -16.221 2.645 160 HG3 GLU 27 3HG GLU 27 -12.459 -14.667 3.459 161 H ALA 28 H ALA 28 -7.826 -16.340 3.961 162 HA ALA 28 HA ALA 28 -5.991 -15.034 2.059 163 HB1 ALA 28 1HB ALA 28 -5.398 -15.974 4.861 164 HB2 ALA 28 2HB ALA 28 -4.176 -15.447 3.702 165 HB3 ALA 28 3HB ALA 28 -5.400 -14.312 4.272 166 H VAL 29 H VAL 29 -3.888 -16.510 1.932 167 HA VAL 29 HA VAL 29 -4.667 -18.866 0.598 168 HB VAL 29 HB VAL 29 -2.261 -19.397 0.488 169 HG11 VAL 29 1HG1 VAL 29 -2.963 -17.997 -1.239 170 HG12 VAL 29 2HG1 VAL 29 -3.190 -16.620 -0.159 171 HG13 VAL 29 3HG1 VAL 29 -1.562 -17.161 -0.571 172 HG21 VAL 29 1HG2 VAL 29 -1.437 -18.742 2.599 173 HG22 VAL 29 2HG2 VAL 29 -0.688 -17.644 1.439 174 HG23 VAL 29 3HG2 VAL 29 -2.051 -17.099 2.417 175 H ASP 30 H ASP 30 -3.580 -18.249 3.871 176 HA ASP 30 HA ASP 30 -4.475 -20.881 4.676 177 HB2 ASP 30 2HB ASP 30 -1.586 -20.039 4.838 178 HB3 ASP 30 3HB ASP 30 -2.260 -21.245 5.932 179 H ALA 31 H ALA 31 -3.806 -21.081 7.191 180 HA ALA 31 HA ALA 31 -5.259 -19.014 8.484 181 HB1 ALA 31 1HB ALA 31 -5.437 -20.511 10.120 182 HB2 ALA 31 2HB ALA 31 -4.518 -21.617 9.099 183 HB3 ALA 31 3HB ALA 31 -3.687 -20.626 10.299 184 H ALA 32 H ALA 32 -1.821 -19.911 8.482 185 HA ALA 32 HA ALA 32 -0.895 -18.014 10.296 186 HB1 ALA 32 1HB ALA 32 0.242 -19.893 8.521 187 HB2 ALA 32 2HB ALA 32 1.047 -18.349 8.238 188 HB3 ALA 32 3HB ALA 32 1.018 -19.045 9.859 189 H THR 33 H THR 33 -1.723 -17.700 6.909 190 HA THR 33 HA THR 33 -0.586 -15.058 6.667 191 HB THR 33 HB THR 33 -2.539 -16.288 4.735 192 HG1 THR 33 HG1 THR 33 0.282 -16.679 4.709 193 HG21 THR 33 1HG2 THR 33 -0.219 -14.384 4.392 194 HG22 THR 33 2HG2 THR 33 -1.930 -13.954 4.358 195 HG23 THR 33 3HG2 THR 33 -1.254 -14.985 3.098 196 H ALA 34 H ALA 34 -3.801 -16.475 7.042 197 HA ALA 34 HA ALA 34 -5.354 -14.198 6.666 198 HB1 ALA 34 1HB ALA 34 -6.042 -16.258 8.732 199 HB2 ALA 34 2HB ALA 34 -7.113 -15.368 7.649 200 HB3 ALA 34 3HB ALA 34 -6.073 -16.642 7.011 201 H GLU 35 H GLU 35 -3.352 -15.132 9.349 202 HA GLU 35 HA GLU 35 -4.525 -13.300 11.224 203 HB2 GLU 35 2HB GLU 35 -3.408 -15.326 12.005 204 HB3 GLU 35 3HB GLU 35 -1.895 -14.787 11.292 205 HG2 GLU 35 2HG GLU 35 -1.708 -12.995 12.845 206 HG3 GLU 35 3HG GLU 35 -3.340 -13.273 13.448 207 H LYS 36 H LYS 36 -1.797 -13.280 9.011 208 HA LYS 36 HA LYS 36 -0.554 -10.931 9.953 209 HB2 LYS 36 2HB LYS 36 -0.502 -12.441 7.364 210 HB3 LYS 36 3HB LYS 36 0.276 -10.867 7.470 211 HG2 LYS 36 2HG LYS 36 1.681 -11.674 9.290 212 HG3 LYS 36 3HG LYS 36 0.891 -13.249 9.208 213 HD2 LYS 36 2HD LYS 36 2.906 -13.482 8.003 214 HD3 LYS 36 3HD LYS 36 1.637 -13.336 6.784 215 HE2 LYS 36 2HE LYS 36 3.599 -11.985 6.215 216 HE3 LYS 36 3HE LYS 36 2.175 -10.982 6.485 217 HZ1 LYS 36 1HZ LYS 36 4.591 -10.596 7.627 218 HZ2 LYS 36 2HZ LYS 36 3.754 -11.410 8.851 219 HZ3 LYS 36 3HZ LYS 36 3.131 -9.973 8.214 220 H VAL 37 H VAL 37 -3.297 -11.478 7.882 221 HA VAL 37 HA VAL 37 -3.404 -8.904 6.695 222 HB VAL 37 HB VAL 37 -5.645 -10.873 7.170 223 HG11 VAL 37 1HG1 VAL 37 -5.457 -8.378 5.504 224 HG12 VAL 37 2HG1 VAL 37 -6.646 -9.642 5.182 225 HG13 VAL 37 3HG1 VAL 37 -6.656 -8.793 6.728 226 HG21 VAL 37 1HG2 VAL 37 -3.401 -10.910 5.384 227 HG22 VAL 37 2HG2 VAL 37 -4.669 -12.115 5.605 228 HG23 VAL 37 3HG2 VAL 37 -4.899 -10.792 4.463 229 H PHE 38 H PHE 38 -4.939 -10.314 9.561 230 HA PHE 38 HA PHE 38 -6.276 -7.834 10.210 231 HB2 PHE 38 2HB PHE 38 -7.448 -9.861 10.746 232 HB3 PHE 38 3HB PHE 38 -6.071 -10.482 11.649 233 HD1 PHE 38 HD1 PHE 38 -5.616 -9.747 13.889 234 HD2 PHE 38 HD2 PHE 38 -8.868 -8.118 11.677 235 HE1 PHE 38 HE1 PHE 38 -6.533 -8.777 15.956 236 HE2 PHE 38 HE2 PHE 38 -9.788 -7.144 13.740 237 HZ PHE 38 HZ PHE 38 -8.620 -7.472 15.883 238 H LYS 39 H LYS 39 -3.271 -9.337 10.880 239 HA LYS 39 HA LYS 39 -2.594 -8.402 13.386 240 HB2 LYS 39 2HB LYS 39 -1.063 -9.054 10.921 241 HB3 LYS 39 3HB LYS 39 -0.219 -8.162 12.180 242 HG2 LYS 39 2HG LYS 39 -1.737 -10.618 12.914 243 HG3 LYS 39 3HG LYS 39 -0.167 -10.773 12.123 244 HD2 LYS 39 2HD LYS 39 -0.529 -9.007 14.521 245 HD3 LYS 39 3HD LYS 39 -0.246 -10.740 14.698 246 HE2 LYS 39 2HE LYS 39 1.540 -8.852 13.169 247 HE3 LYS 39 3HE LYS 39 1.824 -9.380 14.826 248 HZ1 LYS 39 1HZ LYS 39 2.730 -10.624 12.593 249 HZ2 LYS 39 2HZ LYS 39 1.385 -11.558 13.013 250 HZ3 LYS 39 3HZ LYS 39 2.631 -11.320 14.132 251 H GLN 40 H GLN 40 -2.506 -6.692 10.296 252 HA GLN 40 HA GLN 40 -1.251 -4.348 11.269 253 HB2 GLN 40 2HB GLN 40 -1.293 -4.850 8.894 254 HB3 GLN 40 3HB GLN 40 -3.050 -4.772 8.877 255 HG2 GLN 40 2HG GLN 40 -2.845 -2.369 9.578 256 HG3 GLN 40 3HG GLN 40 -1.112 -2.514 9.288 257 HE21 GLN 40 1HE2 GLN 40 -4.258 -2.936 7.740 258 HE22 GLN 40 2HE2 GLN 40 -3.733 -2.508 6.151 259 H TYR 41 H TYR 41 -4.562 -5.450 11.210 260 HA TYR 41 HA TYR 41 -5.801 -2.954 11.715 261 HB2 TYR 41 2HB TYR 41 -6.737 -5.397 11.059 262 HB3 TYR 41 3HB TYR 41 -7.081 -5.405 12.784 263 HD1 TYR 41 HD1 TYR 41 -8.657 -4.968 9.861 264 HD2 TYR 41 HD2 TYR 41 -7.942 -2.773 13.435 265 HE1 TYR 41 HE1 TYR 41 -10.694 -3.650 9.453 266 HE2 TYR 41 HE2 TYR 41 -9.977 -1.451 13.038 267 HH TYR 41 HH TYR 41 -11.843 -1.270 11.800 268 H ALA 42 H ALA 42 -5.146 -5.687 13.916 269 HA ALA 42 HA ALA 42 -5.837 -4.296 16.269 270 HB1 ALA 42 1HB ALA 42 -4.122 -6.735 15.844 271 HB2 ALA 42 2HB ALA 42 -4.609 -6.135 17.430 272 HB3 ALA 42 3HB ALA 42 -5.829 -6.684 16.282 273 H ASN 43 H ASN 43 -2.820 -4.632 14.504 274 HA ASN 43 HA ASN 43 -1.147 -3.537 16.525 275 HB2 ASN 43 2HB ASN 43 -0.337 -4.943 14.624 276 HB3 ASN 43 3HB ASN 43 -0.661 -3.594 13.540 277 HD21 ASN 43 1HD2 ASN 43 0.442 -1.539 14.092 278 HD22 ASN 43 2HD2 ASN 43 2.056 -1.632 14.699 279 H ASP 44 H ASP 44 -2.305 -2.142 13.450 280 HA ASP 44 HA ASP 44 -1.390 0.443 13.836 281 HB2 ASP 44 2HB ASP 44 -3.806 -0.589 12.349 282 HB3 ASP 44 3HB ASP 44 -3.308 1.100 12.300 283 H ASN 45 H ASN 45 -4.421 -1.035 14.899 284 HA ASN 45 HA ASN 45 -5.515 1.364 15.976 285 HB2 ASN 45 2HB ASN 45 -6.198 -1.543 16.113 286 HB3 ASN 45 3HB ASN 45 -6.933 -0.450 17.283 287 HD21 ASN 45 1HD2 ASN 45 -6.470 -1.009 13.837 288 HD22 ASN 45 2HD2 ASN 45 -7.929 -0.234 13.331 289 H GLY 46 H GLY 46 -3.193 -0.905 17.088 290 HA2 GLY 46 2HA GLY 46 -1.766 -0.424 18.929 291 HA3 GLY 46 3HA GLY 46 -3.057 0.530 19.643 292 H LEU 47 H LEU 47 -4.858 -1.867 18.831 293 HA LEU 47 HA LEU 47 -4.940 -3.058 21.386 294 HB2 LEU 47 2HB LEU 47 -6.740 -2.860 19.501 295 HB3 LEU 47 3HB LEU 47 -6.080 -4.408 18.978 296 HG LEU 47 HG LEU 47 -8.088 -4.683 20.349 297 HD11 LEU 47 1HD1 LEU 47 -5.721 -5.623 21.941 298 HD12 LEU 47 2HD1 LEU 47 -6.133 -6.309 20.369 299 HD13 LEU 47 3HD1 LEU 47 -7.278 -6.419 21.706 300 HD21 LEU 47 1HD2 LEU 47 -7.176 -2.571 21.795 301 HD22 LEU 47 2HD2 LEU 47 -6.766 -3.921 22.854 302 HD23 LEU 47 3HD2 LEU 47 -8.434 -3.686 22.330 303 H ASP 48 H ASP 48 -3.681 -4.568 22.229 304 HA ASP 48 HA ASP 48 -2.612 -6.684 20.521 305 HB2 ASP 48 2HB ASP 48 -0.401 -6.363 21.907 306 HB3 ASP 48 3HB ASP 48 -0.694 -5.396 20.464 307 H GLY 49 H GLY 49 -3.091 -8.569 21.423 308 HA2 GLY 49 2HA GLY 49 -3.010 -8.782 24.361 309 HA3 GLY 49 3HA GLY 49 -4.406 -9.375 23.471 310 H GLU 50 H GLU 50 -4.408 -11.477 23.069 311 HA GLU 50 HA GLU 50 -1.853 -12.832 22.569 312 HB2 GLU 50 2HB GLU 50 -2.799 -13.075 24.990 313 HB3 GLU 50 3HB GLU 50 -3.952 -14.170 24.243 314 HG2 GLU 50 2HG GLU 50 -2.346 -15.732 23.725 315 HG3 GLU 50 3HG GLU 50 -1.039 -14.549 23.746 316 H TRP 51 H TRP 51 -2.017 -13.608 20.577 317 HA TRP 51 HA TRP 51 -4.513 -14.150 19.312 318 HB2 TRP 51 2HB TRP 51 -1.758 -14.989 18.392 319 HB3 TRP 51 3HB TRP 51 -3.203 -14.818 17.398 320 HD1 TRP 51 HD1 TRP 51 -0.331 -12.843 18.843 321 HE1 TRP 51 HE1 TRP 51 -0.461 -10.411 18.009 322 HE3 TRP 51 HE3 TRP 51 -4.979 -12.961 16.715 323 HZ2 TRP 51 HZ2 TRP 51 -2.292 -8.761 16.632 324 HZ3 TRP 51 HZ3 TRP 51 -5.846 -10.914 15.661 325 HH2 TRP 51 HH2 TRP 51 -4.529 -8.858 15.622 326 H THR 52 H THR 52 -5.711 -15.914 19.497 327 HA THR 52 HA THR 52 -4.470 -18.370 20.521 328 HB THR 52 HB THR 52 -7.071 -18.970 20.655 329 HG1 THR 52 HG1 THR 52 -7.006 -16.138 20.985 330 HG21 THR 52 1HG2 THR 52 -6.664 -18.932 22.855 331 HG22 THR 52 2HG2 THR 52 -6.424 -17.185 22.857 332 HG23 THR 52 3HG2 THR 52 -5.086 -18.259 22.451 333 H TYR 53 H TYR 53 -4.651 -20.313 19.463 334 HA TYR 53 HA TYR 53 -5.915 -20.261 16.805 335 HB2 TYR 53 2HB TYR 53 -3.371 -21.760 17.424 336 HB3 TYR 53 3HB TYR 53 -4.090 -21.456 15.846 337 HD1 TYR 53 HD1 TYR 53 -1.307 -20.713 17.464 338 HD2 TYR 53 HD2 TYR 53 -4.648 -18.612 15.874 339 HE1 TYR 53 HE1 TYR 53 0.081 -18.696 17.227 340 HE2 TYR 53 HE2 TYR 53 -3.269 -16.590 15.631 341 HH TYR 53 HH TYR 53 -0.439 -16.314 15.371 342 H ASP 54 H ASP 54 -7.109 -22.007 16.248 343 HA ASP 54 HA ASP 54 -6.936 -24.452 17.821 344 HB2 ASP 54 2HB ASP 54 -8.608 -22.905 18.934 345 HB3 ASP 54 3HB ASP 54 -9.593 -23.057 17.481 346 H ASP 55 H ASP 55 -6.825 -26.048 16.403 347 HA ASP 55 HA ASP 55 -7.755 -25.699 13.692 348 HB2 ASP 55 2HB ASP 55 -5.732 -27.181 14.885 349 HB3 ASP 55 3HB ASP 55 -6.909 -28.396 14.396 350 H ALA 56 H ALA 56 -8.750 -27.418 16.572 351 HA ALA 56 HA ALA 56 -10.536 -29.255 15.513 352 HB1 ALA 56 1HB ALA 56 -11.714 -29.090 17.702 353 HB2 ALA 56 2HB ALA 56 -9.970 -29.322 17.836 354 HB3 ALA 56 3HB ALA 56 -10.670 -27.726 18.105 355 H THR 57 H THR 57 -10.855 -25.805 15.916 356 HA THR 57 HA THR 57 -13.601 -25.961 14.855 357 HB THR 57 HB THR 57 -13.628 -24.969 17.058 358 HG1 THR 57 HG1 THR 57 -14.615 -23.010 16.488 359 HG21 THR 57 1HG2 THR 57 -11.855 -23.845 17.807 360 HG22 THR 57 2HG2 THR 57 -12.281 -22.519 16.725 361 HG23 THR 57 3HG2 THR 57 -11.169 -23.775 16.185 362 H LYS 58 H LYS 58 -10.410 -24.789 14.371 363 HA LYS 58 HA LYS 58 -9.416 -23.660 12.666 364 HB2 LYS 58 2HB LYS 58 -12.015 -24.059 11.178 365 HB3 LYS 58 3HB LYS 58 -10.435 -23.733 10.478 366 HG2 LYS 58 2HG LYS 58 -11.020 -26.197 12.094 367 HG3 LYS 58 3HG LYS 58 -11.247 -26.114 10.346 368 HD2 LYS 58 2HD LYS 58 -8.771 -25.205 10.415 369 HD3 LYS 58 3HD LYS 58 -8.734 -26.082 11.947 370 HE2 LYS 58 2HE LYS 58 -9.623 -27.308 9.342 371 HE3 LYS 58 3HE LYS 58 -7.966 -27.385 9.939 372 HZ1 LYS 58 1HZ LYS 58 -8.590 -29.201 11.024 373 HZ2 LYS 58 2HZ LYS 58 -10.229 -28.939 10.698 374 HZ3 LYS 58 3HZ LYS 58 -9.507 -28.212 12.044 375 H THR 59 H THR 59 -10.386 -22.059 14.610 376 HA THR 59 HA THR 59 -11.249 -19.696 13.094 377 HB THR 59 HB THR 59 -12.321 -20.297 15.849 378 HG1 THR 59 HG1 THR 59 -13.456 -20.832 13.293 379 HG21 THR 59 1HG2 THR 59 -13.963 -18.561 15.256 380 HG22 THR 59 2HG2 THR 59 -13.148 -18.332 13.709 381 HG23 THR 59 3HG2 THR 59 -12.312 -17.944 15.212 382 H PHE 60 H PHE 60 -10.533 -17.703 13.917 383 HA PHE 60 HA PHE 60 -8.291 -17.939 15.806 384 HB2 PHE 60 2HB PHE 60 -8.794 -16.177 13.440 385 HB3 PHE 60 3HB PHE 60 -7.747 -15.599 14.731 386 HD1 PHE 60 HD1 PHE 60 -8.195 -18.908 13.061 387 HD2 PHE 60 HD2 PHE 60 -5.545 -15.749 14.120 388 HE1 PHE 60 HE1 PHE 60 -6.315 -20.164 12.092 389 HE2 PHE 60 HE2 PHE 60 -3.661 -17.001 13.152 390 HZ PHE 60 HZ PHE 60 -4.045 -19.212 12.135 391 H THR 61 H THR 61 -7.987 -16.323 17.398 392 HA THR 61 HA THR 61 -10.087 -14.377 17.850 393 HB THR 61 HB THR 61 -9.549 -16.188 20.165 394 HG1 THR 61 HG1 THR 61 -11.437 -16.701 18.089 395 HG21 THR 61 1HG2 THR 61 -11.073 -14.850 21.087 396 HG22 THR 61 2HG2 THR 61 -12.258 -15.398 19.901 397 HG23 THR 61 3HG2 THR 61 -11.259 -13.985 19.562 398 H ILE 62 H ILE 62 -9.602 -12.953 19.694 399 HA ILE 62 HA ILE 62 -6.866 -13.034 20.687 400 HB ILE 62 HB ILE 62 -6.605 -11.769 18.638 401 HG12 ILE 62 2HG1 ILE 62 -6.629 -9.895 21.014 402 HG13 ILE 62 3HG1 ILE 62 -5.359 -11.066 20.675 403 HG21 ILE 62 1HG2 ILE 62 -9.186 -10.831 19.230 404 HG22 ILE 62 2HG2 ILE 62 -8.126 -9.422 19.251 405 HG23 ILE 62 3HG2 ILE 62 -8.195 -10.453 17.821 406 HD11 ILE 62 1HD1 ILE 62 -5.950 -9.277 18.445 407 HD12 ILE 62 2HD1 ILE 62 -5.349 -8.465 19.891 408 HD13 ILE 62 3HD1 ILE 62 -4.404 -9.755 19.145 409 H THR 63 H THR 63 -6.872 -12.544 22.773 410 HA THR 63 HA THR 63 -9.100 -10.929 23.829 411 HB THR 63 HB THR 63 -8.657 -12.044 26.013 412 HG1 THR 63 HG1 THR 63 -7.389 -14.077 25.750 413 HG21 THR 63 1HG2 THR 63 -10.447 -12.896 24.651 414 HG22 THR 63 2HG2 THR 63 -9.584 -14.266 25.351 415 HG23 THR 63 3HG2 THR 63 -9.316 -13.823 23.666 416 H GLU 64 H GLU 64 -8.673 -9.127 24.976 417 HA GLU 64 HA GLU 64 -5.852 -8.546 25.600 418 HB2 GLU 64 2HB GLU 64 -7.060 -7.247 23.672 419 HB3 GLU 64 3HB GLU 64 -7.812 -6.365 24.993 420 HG2 GLU 64 2HG GLU 64 -4.847 -6.631 24.553 421 HG3 GLU 64 3HG GLU 64 -5.826 -5.234 24.106 Start of MODEL 5 1 H MET 9 H MET 9 -8.421 -18.889 1.577 2 HA MET 9 HA MET 9 -10.610 -20.695 1.979 3 HB2 MET 9 2HB MET 9 -8.537 -21.957 2.774 4 HB3 MET 9 3HB MET 9 -8.442 -20.773 4.071 5 HG2 MET 9 2HG MET 9 -9.596 -22.464 5.089 6 HG3 MET 9 3HG MET 9 -10.915 -21.454 4.501 7 HE1 MET 9 1HE MET 9 -9.511 -25.524 3.341 8 HE2 MET 9 2HE MET 9 -8.960 -24.446 2.059 9 HE3 MET 9 3HE MET 9 -8.510 -24.126 3.735 10 H THR 10 H THR 10 -12.068 -19.961 3.525 11 HA THR 10 HA THR 10 -11.665 -17.189 4.335 12 HB THR 10 HB THR 10 -14.157 -18.890 4.542 13 HG1 THR 10 HG1 THR 10 -13.177 -17.141 2.538 14 HG21 THR 10 1HG2 THR 10 -14.589 -17.183 6.013 15 HG22 THR 10 2HG2 THR 10 -15.105 -16.423 4.508 16 HG23 THR 10 3HG2 THR 10 -13.519 -16.053 5.184 17 H PHE 11 H PHE 11 -11.485 -16.504 6.399 18 HA PHE 11 HA PHE 11 -11.753 -18.509 8.537 19 HB2 PHE 11 2HB PHE 11 -9.470 -16.723 7.880 20 HB3 PHE 11 3HB PHE 11 -9.850 -16.936 9.585 21 HD1 PHE 11 HD1 PHE 11 -10.211 -19.450 10.312 22 HD2 PHE 11 HD2 PHE 11 -8.004 -18.188 6.898 23 HE1 PHE 11 HE1 PHE 11 -8.986 -21.584 10.319 24 HE2 PHE 11 HE2 PHE 11 -6.777 -20.319 6.899 25 HZ PHE 11 HZ PHE 11 -7.267 -22.021 8.610 26 H LYS 12 H LYS 12 -11.803 -17.386 10.753 27 HA LYS 12 HA LYS 12 -13.194 -14.808 10.634 28 HB2 LYS 12 2HB LYS 12 -14.723 -16.956 10.747 29 HB3 LYS 12 3HB LYS 12 -14.277 -16.924 12.448 30 HG2 LYS 12 2HG LYS 12 -15.451 -15.017 12.866 31 HG3 LYS 12 3HG LYS 12 -15.265 -14.408 11.220 32 HD2 LYS 12 2HD LYS 12 -17.553 -14.990 11.479 33 HD3 LYS 12 3HD LYS 12 -16.819 -16.250 10.483 34 HE2 LYS 12 2HE LYS 12 -18.140 -17.408 12.036 35 HE3 LYS 12 3HE LYS 12 -16.496 -17.543 12.657 36 HZ1 LYS 12 1HZ LYS 12 -18.742 -15.952 13.687 37 HZ2 LYS 12 2HZ LYS 12 -17.160 -15.429 13.976 38 HZ3 LYS 12 3HZ LYS 12 -17.661 -16.948 14.524 39 H LEU 13 H LEU 13 -12.172 -13.462 11.949 40 HA LEU 13 HA LEU 13 -10.846 -14.555 14.340 41 HB2 LEU 13 2HB LEU 13 -9.580 -13.293 12.437 42 HB3 LEU 13 3HB LEU 13 -10.239 -11.855 13.215 43 HG LEU 13 HG LEU 13 -8.692 -13.846 14.823 44 HD11 LEU 13 1HD1 LEU 13 -6.705 -12.289 14.327 45 HD12 LEU 13 2HD1 LEU 13 -7.604 -11.849 12.875 46 HD13 LEU 13 3HD1 LEU 13 -7.122 -13.526 13.140 47 HD21 LEU 13 1HD2 LEU 13 -9.219 -12.333 16.370 48 HD22 LEU 13 2HD2 LEU 13 -9.799 -11.189 15.160 49 HD23 LEU 13 3HD2 LEU 13 -8.084 -11.250 15.565 50 H ILE 14 H ILE 14 -11.992 -14.240 16.125 51 HA ILE 14 HA ILE 14 -13.946 -12.128 16.322 52 HB ILE 14 HB ILE 14 -13.040 -14.084 18.438 53 HG12 ILE 14 2HG1 ILE 14 -13.952 -15.242 16.487 54 HG13 ILE 14 3HG1 ILE 14 -15.072 -15.346 17.841 55 HG21 ILE 14 1HG2 ILE 14 -15.149 -13.535 19.540 56 HG22 ILE 14 2HG2 ILE 14 -14.133 -12.106 19.356 57 HG23 ILE 14 3HG2 ILE 14 -15.506 -12.356 18.277 58 HD11 ILE 14 1HD1 ILE 14 -15.491 -14.302 15.212 59 HD12 ILE 14 2HD1 ILE 14 -16.658 -14.592 16.502 60 HD13 ILE 14 3HD1 ILE 14 -15.803 -13.052 16.416 61 H ILE 15 H ILE 15 -13.389 -10.118 16.813 62 HA ILE 15 HA ILE 15 -10.924 -9.552 18.224 63 HB ILE 15 HB ILE 15 -13.029 -7.637 17.214 64 HG12 ILE 15 2HG1 ILE 15 -10.398 -8.442 15.957 65 HG13 ILE 15 3HG1 ILE 15 -11.977 -9.013 15.430 66 HG21 ILE 15 1HG2 ILE 15 -10.375 -6.566 17.389 67 HG22 ILE 15 2HG2 ILE 15 -11.860 -6.001 18.153 68 HG23 ILE 15 3HG2 ILE 15 -10.868 -7.221 18.950 69 HD11 ILE 15 1HD1 ILE 15 -12.529 -6.517 15.134 70 HD12 ILE 15 2HD1 ILE 15 -10.781 -6.289 15.188 71 HD13 ILE 15 3HD1 ILE 15 -11.499 -7.312 13.944 72 H ASN 16 H ASN 16 -10.877 -9.656 20.367 73 HA ASN 16 HA ASN 16 -13.131 -8.509 21.870 74 HB2 ASN 16 2HB ASN 16 -11.856 -11.183 22.149 75 HB3 ASN 16 3HB ASN 16 -12.313 -10.348 23.630 76 HD21 ASN 16 1HD2 ASN 16 -14.600 -9.246 23.303 77 HD22 ASN 16 2HD2 ASN 16 -15.819 -10.338 22.748 78 H GLY 17 H GLY 17 -11.994 -6.574 22.163 79 HA2 GLY 17 2HA GLY 17 -10.006 -6.698 24.289 80 HA3 GLY 17 3HA GLY 17 -9.479 -5.968 22.779 81 H LYS 18 H LYS 18 -9.118 -4.078 24.168 82 HA LYS 18 HA LYS 18 -11.549 -2.672 24.984 83 HB2 LYS 18 2HB LYS 18 -8.650 -1.916 25.399 84 HB3 LYS 18 3HB LYS 18 -10.043 -1.106 26.106 85 HG2 LYS 18 2HG LYS 18 -10.385 -2.735 27.654 86 HG3 LYS 18 3HG LYS 18 -9.736 -4.010 26.620 87 HD2 LYS 18 2HD LYS 18 -8.031 -3.855 28.127 88 HD3 LYS 18 3HD LYS 18 -7.494 -2.637 26.968 89 HE2 LYS 18 2HE LYS 18 -7.314 -1.776 29.226 90 HE3 LYS 18 3HE LYS 18 -8.556 -0.893 28.339 91 HZ1 LYS 18 1HZ LYS 18 -9.630 -3.150 29.714 92 HZ2 LYS 18 2HZ LYS 18 -10.098 -1.526 29.785 93 HZ3 LYS 18 3HZ LYS 18 -8.850 -2.090 30.778 94 H THR 19 H THR 19 -8.587 -1.985 23.121 95 HA THR 19 HA THR 19 -9.621 0.415 21.989 96 HB THR 19 HB THR 19 -7.400 -1.142 20.708 97 HG1 THR 19 HG1 THR 19 -7.158 0.425 23.079 98 HG21 THR 19 1HG2 THR 19 -7.813 0.856 19.568 99 HG22 THR 19 2HG2 THR 19 -6.484 1.270 20.650 100 HG23 THR 19 3HG2 THR 19 -8.131 1.748 21.055 101 H LEU 20 H LEU 20 -9.796 -2.936 21.134 102 HA LEU 20 HA LEU 20 -11.405 -2.223 18.792 103 HB2 LEU 20 2HB LEU 20 -8.936 -3.858 18.846 104 HB3 LEU 20 3HB LEU 20 -10.259 -4.436 17.835 105 HG LEU 20 HG LEU 20 -8.920 -1.741 17.606 106 HD11 LEU 20 1HD1 LEU 20 -8.326 -2.852 15.315 107 HD12 LEU 20 2HD1 LEU 20 -8.536 -4.352 16.219 108 HD13 LEU 20 3HD1 LEU 20 -7.340 -3.167 16.745 109 HD21 LEU 20 1HD2 LEU 20 -11.456 -2.646 16.719 110 HD22 LEU 20 2HD2 LEU 20 -10.409 -2.497 15.307 111 HD23 LEU 20 3HD2 LEU 20 -10.653 -1.114 16.374 112 H LYS 21 H LYS 21 -13.314 -3.190 18.876 113 HA LYS 21 HA LYS 21 -13.525 -5.847 20.104 114 HB2 LYS 21 2HB LYS 21 -15.549 -5.201 21.300 115 HB3 LYS 21 3HB LYS 21 -14.192 -4.203 21.804 116 HG2 LYS 21 2HG LYS 21 -15.030 -2.479 20.145 117 HG3 LYS 21 3HG LYS 21 -16.501 -3.448 20.043 118 HD2 LYS 21 2HD LYS 21 -17.046 -1.910 21.683 119 HD3 LYS 21 3HD LYS 21 -16.476 -3.281 22.638 120 HE2 LYS 21 2HE LYS 21 -14.387 -2.252 23.040 121 HE3 LYS 21 3HE LYS 21 -14.668 -1.029 21.802 122 HZ1 LYS 21 1HZ LYS 21 -15.138 0.137 23.693 123 HZ2 LYS 21 2HZ LYS 21 -15.751 -1.203 24.523 124 HZ3 LYS 21 3HZ LYS 21 -16.683 -0.449 23.329 125 H GLY 22 H GLY 22 -15.029 -7.202 19.186 126 HA2 GLY 22 2HA GLY 22 -17.225 -7.097 17.852 127 HA3 GLY 22 3HA GLY 22 -16.248 -6.199 16.699 128 H GLU 23 H GLU 23 -16.501 -7.689 15.045 129 HA GLU 23 HA GLU 23 -14.691 -9.923 15.142 130 HB2 GLU 23 2HB GLU 23 -16.327 -11.642 14.584 131 HB3 GLU 23 3HB GLU 23 -16.698 -10.920 16.144 132 HG2 GLU 23 2HG GLU 23 -18.417 -9.533 15.083 133 HG3 GLU 23 3HG GLU 23 -18.057 -10.293 13.533 134 H THR 24 H THR 24 -14.526 -11.017 13.020 135 HA THR 24 HA THR 24 -15.777 -10.011 10.703 136 HB THR 24 HB THR 24 -14.442 -7.992 11.238 137 HG1 THR 24 HG1 THR 24 -14.110 -7.721 9.148 138 HG21 THR 24 1HG2 THR 24 -12.040 -8.017 11.114 139 HG22 THR 24 2HG2 THR 24 -12.035 -9.731 10.696 140 HG23 THR 24 3HG2 THR 24 -12.545 -9.216 12.303 141 H THR 25 H THR 25 -14.726 -10.806 8.695 142 HA THR 25 HA THR 25 -13.259 -13.299 9.246 143 HB THR 25 HB THR 25 -14.123 -14.082 7.043 144 HG1 THR 25 HG1 THR 25 -15.077 -12.676 5.794 145 HG21 THR 25 1HG2 THR 25 -16.547 -14.259 7.806 146 HG22 THR 25 2HG2 THR 25 -16.069 -13.282 9.194 147 HG23 THR 25 3HG2 THR 25 -15.321 -14.855 8.923 148 H THR 26 H THR 26 -11.686 -13.995 7.644 149 HA THR 26 HA THR 26 -10.549 -11.825 6.026 150 HB THR 26 HB THR 26 -8.956 -13.582 7.904 151 HG1 THR 26 HG1 THR 26 -9.422 -10.766 7.884 152 HG21 THR 26 1HG2 THR 26 -8.102 -11.541 5.853 153 HG22 THR 26 2HG2 THR 26 -7.649 -13.244 5.938 154 HG23 THR 26 3HG2 THR 26 -7.053 -12.111 7.151 155 H GLU 27 H GLU 27 -9.920 -12.443 4.045 156 HA GLU 27 HA GLU 27 -10.014 -15.312 3.429 157 HB2 GLU 27 2HB GLU 27 -10.199 -12.928 1.579 158 HB3 GLU 27 3HB GLU 27 -10.324 -14.611 1.088 159 HG2 GLU 27 2HG GLU 27 -12.424 -14.854 1.939 160 HG3 GLU 27 3HG GLU 27 -12.184 -13.626 3.180 161 H ALA 28 H ALA 28 -8.005 -16.103 3.754 162 HA ALA 28 HA ALA 28 -5.820 -14.849 2.227 163 HB1 ALA 28 1HB ALA 28 -4.318 -15.041 3.953 164 HB2 ALA 28 2HB ALA 28 -5.798 -14.670 4.839 165 HB3 ALA 28 3HB ALA 28 -5.222 -16.334 4.741 166 H VAL 29 H VAL 29 -3.871 -16.605 2.330 167 HA VAL 29 HA VAL 29 -4.895 -18.843 0.820 168 HB VAL 29 HB VAL 29 -2.847 -17.666 0.108 169 HG11 VAL 29 1HG1 VAL 29 -1.345 -18.987 2.330 170 HG12 VAL 29 2HG1 VAL 29 -0.881 -17.613 1.324 171 HG13 VAL 29 3HG1 VAL 29 -2.099 -17.413 2.585 172 HG21 VAL 29 1HG2 VAL 29 -2.416 -19.580 -0.930 173 HG22 VAL 29 2HG2 VAL 29 -1.507 -20.124 0.480 174 HG23 VAL 29 3HG2 VAL 29 -3.228 -20.485 0.347 175 H ASP 30 H ASP 30 -3.509 -18.270 3.983 176 HA ASP 30 HA ASP 30 -4.324 -20.934 4.810 177 HB2 ASP 30 2HB ASP 30 -1.486 -20.035 4.646 178 HB3 ASP 30 3HB ASP 30 -1.962 -21.019 6.027 179 H ALA 31 H ALA 31 -3.951 -21.200 7.238 180 HA ALA 31 HA ALA 31 -5.301 -19.191 8.614 181 HB1 ALA 31 1HB ALA 31 -4.711 -21.723 9.192 182 HB2 ALA 31 2HB ALA 31 -3.477 -20.929 10.172 183 HB3 ALA 31 3HB ALA 31 -5.181 -20.554 10.426 184 H ALA 32 H ALA 32 -1.820 -19.909 8.521 185 HA ALA 32 HA ALA 32 -0.982 -17.940 10.322 186 HB1 ALA 32 1HB ALA 32 0.909 -18.361 8.164 187 HB2 ALA 32 2HB ALA 32 1.043 -18.755 9.879 188 HB3 ALA 32 3HB ALA 32 0.247 -19.877 8.776 189 H THR 33 H THR 33 -2.019 -17.712 7.026 190 HA THR 33 HA THR 33 -0.867 -15.097 6.592 191 HB THR 33 HB THR 33 -2.988 -16.378 4.878 192 HG1 THR 33 HG1 THR 33 -1.502 -17.953 4.824 193 HG21 THR 33 1HG2 THR 33 -0.657 -14.689 4.014 194 HG22 THR 33 2HG2 THR 33 -2.165 -13.965 4.570 195 HG23 THR 33 3HG2 THR 33 -2.162 -15.017 3.156 196 H ALA 34 H ALA 34 -4.124 -16.440 7.058 197 HA ALA 34 HA ALA 34 -5.627 -14.139 6.826 198 HB1 ALA 34 1HB ALA 34 -6.101 -16.749 7.609 199 HB2 ALA 34 2HB ALA 34 -6.569 -15.790 9.013 200 HB3 ALA 34 3HB ALA 34 -7.302 -15.468 7.441 201 H GLU 35 H GLU 35 -3.991 -15.397 9.718 202 HA GLU 35 HA GLU 35 -4.860 -13.373 11.476 203 HB2 GLU 35 2HB GLU 35 -3.933 -15.494 12.270 204 HB3 GLU 35 3HB GLU 35 -2.367 -15.078 11.590 205 HG2 GLU 35 2HG GLU 35 -2.376 -13.069 13.116 206 HG3 GLU 35 3HG GLU 35 -3.773 -13.795 13.909 207 H LYS 36 H LYS 36 -1.947 -13.688 9.488 208 HA LYS 36 HA LYS 36 -0.577 -11.432 10.380 209 HB2 LYS 36 2HB LYS 36 0.216 -13.277 8.790 210 HB3 LYS 36 3HB LYS 36 -0.567 -12.357 7.512 211 HG2 LYS 36 2HG LYS 36 0.855 -10.392 8.269 212 HG3 LYS 36 3HG LYS 36 1.775 -11.566 9.212 213 HD2 LYS 36 2HD LYS 36 1.272 -12.145 6.337 214 HD3 LYS 36 3HD LYS 36 2.472 -10.918 6.746 215 HE2 LYS 36 2HE LYS 36 3.653 -12.957 6.567 216 HE3 LYS 36 3HE LYS 36 3.507 -12.627 8.293 217 HZ1 LYS 36 1HZ LYS 36 1.302 -14.153 7.347 218 HZ2 LYS 36 2HZ LYS 36 2.397 -14.509 8.586 219 HZ3 LYS 36 3HZ LYS 36 2.763 -14.928 6.988 220 H VAL 37 H VAL 37 -3.352 -11.712 8.326 221 HA VAL 37 HA VAL 37 -3.199 -9.222 7.010 222 HB VAL 37 HB VAL 37 -5.688 -10.765 7.755 223 HG11 VAL 37 1HG1 VAL 37 -6.701 -9.600 5.854 224 HG12 VAL 37 2HG1 VAL 37 -6.149 -8.465 7.088 225 HG13 VAL 37 3HG1 VAL 37 -5.207 -8.694 5.614 226 HG21 VAL 37 1HG2 VAL 37 -4.908 -11.031 5.015 227 HG22 VAL 37 2HG2 VAL 37 -3.568 -11.506 6.057 228 HG23 VAL 37 3HG2 VAL 37 -5.140 -12.286 6.232 229 H PHE 38 H PHE 38 -5.283 -10.154 9.756 230 HA PHE 38 HA PHE 38 -5.910 -7.435 10.376 231 HB2 PHE 38 2HB PHE 38 -7.531 -9.149 10.882 232 HB3 PHE 38 3HB PHE 38 -6.375 -10.007 11.894 233 HD1 PHE 38 HD1 PHE 38 -5.852 -9.236 14.120 234 HD2 PHE 38 HD2 PHE 38 -8.627 -7.140 11.665 235 HE1 PHE 38 HE1 PHE 38 -6.647 -7.990 16.088 236 HE2 PHE 38 HE2 PHE 38 -9.426 -5.890 13.628 237 HZ PHE 38 HZ PHE 38 -8.435 -6.313 15.843 238 H LYS 39 H LYS 39 -3.313 -9.501 11.124 239 HA LYS 39 HA LYS 39 -2.535 -8.767 13.666 240 HB2 LYS 39 2HB LYS 39 -1.118 -9.685 11.228 241 HB3 LYS 39 3HB LYS 39 -0.127 -8.946 12.478 242 HG2 LYS 39 2HG LYS 39 -2.065 -11.076 13.239 243 HG3 LYS 39 3HG LYS 39 -0.550 -11.524 12.452 244 HD2 LYS 39 2HD LYS 39 -0.478 -9.642 14.765 245 HD3 LYS 39 3HD LYS 39 -0.714 -11.364 15.070 246 HE2 LYS 39 2HE LYS 39 1.336 -11.857 13.818 247 HE3 LYS 39 3HE LYS 39 1.570 -10.135 13.527 248 HZ1 LYS 39 1HZ LYS 39 2.469 -9.877 15.526 249 HZ2 LYS 39 2HZ LYS 39 2.528 -11.563 15.651 250 HZ3 LYS 39 3HZ LYS 39 1.217 -10.713 16.300 251 H GLN 40 H GLN 40 -2.246 -6.974 10.667 252 HA GLN 40 HA GLN 40 -0.624 -4.902 11.868 253 HB2 GLN 40 2HB GLN 40 -0.315 -5.506 9.507 254 HB3 GLN 40 3HB GLN 40 -1.970 -5.023 9.163 255 HG2 GLN 40 2HG GLN 40 -1.277 -2.724 10.059 256 HG3 GLN 40 3HG GLN 40 0.377 -3.307 9.870 257 HE21 GLN 40 1HE2 GLN 40 -2.669 -3.023 8.084 258 HE22 GLN 40 2HE2 GLN 40 -1.943 -2.661 6.559 259 H TYR 41 H TYR 41 -3.980 -5.526 11.237 260 HA TYR 41 HA TYR 41 -4.938 -2.872 11.400 261 HB2 TYR 41 2HB TYR 41 -6.086 -5.191 10.712 262 HB3 TYR 41 3HB TYR 41 -6.656 -5.095 12.374 263 HD1 TYR 41 HD1 TYR 41 -6.202 -2.576 9.643 264 HD2 TYR 41 HD2 TYR 41 -8.840 -4.371 12.458 265 HE1 TYR 41 HE1 TYR 41 -7.991 -1.044 8.934 266 HE2 TYR 41 HE2 TYR 41 -10.637 -2.845 11.756 267 HH TYR 41 HH TYR 41 -10.213 -0.630 9.047 268 H ALA 42 H ALA 42 -4.449 -5.398 13.826 269 HA ALA 42 HA ALA 42 -5.607 -4.012 15.996 270 HB1 ALA 42 1HB ALA 42 -5.348 -6.068 16.802 271 HB2 ALA 42 2HB ALA 42 -4.130 -6.464 15.589 272 HB3 ALA 42 3HB ALA 42 -3.655 -5.658 17.084 273 H ASN 43 H ASN 43 -2.314 -4.133 14.722 274 HA ASN 43 HA ASN 43 -1.122 -2.644 16.821 275 HB2 ASN 43 2HB ASN 43 0.231 -4.044 15.363 276 HB3 ASN 43 3HB ASN 43 -0.229 -3.078 13.963 277 HD21 ASN 43 1HD2 ASN 43 0.800 -2.176 17.230 278 HD22 ASN 43 2HD2 ASN 43 2.144 -1.215 16.726 279 H ASP 44 H ASP 44 -2.472 -1.755 13.676 280 HA ASP 44 HA ASP 44 -1.745 0.988 13.826 281 HB2 ASP 44 2HB ASP 44 -2.343 -0.300 11.726 282 HB3 ASP 44 3HB ASP 44 -4.028 -0.170 12.226 283 H ASN 45 H ASN 45 -4.373 -0.882 15.089 284 HA ASN 45 HA ASN 45 -5.988 1.463 15.674 285 HB2 ASN 45 2HB ASN 45 -6.372 -1.487 15.846 286 HB3 ASN 45 3HB ASN 45 -7.323 -0.475 16.930 287 HD21 ASN 45 1HD2 ASN 45 -6.988 -1.695 13.793 288 HD22 ASN 45 2HD2 ASN 45 -8.283 -0.822 13.054 289 H GLY 46 H GLY 46 -3.592 -0.476 17.180 290 HA2 GLY 46 2HA GLY 46 -2.479 0.379 19.141 291 HA3 GLY 46 3HA GLY 46 -4.027 1.002 19.692 292 H LEU 47 H LEU 47 -5.129 -1.728 18.700 293 HA LEU 47 HA LEU 47 -5.105 -2.963 21.268 294 HB2 LEU 47 2HB LEU 47 -6.894 -2.994 19.357 295 HB3 LEU 47 3HB LEU 47 -5.982 -4.396 18.801 296 HG LEU 47 HG LEU 47 -7.933 -5.040 20.127 297 HD11 LEU 47 1HD1 LEU 47 -5.579 -6.198 20.190 298 HD12 LEU 47 2HD1 LEU 47 -6.881 -6.732 21.253 299 HD13 LEU 47 3HD1 LEU 47 -5.610 -5.680 21.876 300 HD21 LEU 47 1HD2 LEU 47 -8.217 -4.458 22.391 301 HD22 LEU 47 2HD2 LEU 47 -7.841 -2.948 21.561 302 HD23 LEU 47 3HD2 LEU 47 -6.596 -3.772 22.502 303 H ASP 48 H ASP 48 -3.842 -4.532 22.053 304 HA ASP 48 HA ASP 48 -2.310 -6.234 20.259 305 HB2 ASP 48 2HB ASP 48 -0.773 -4.401 20.538 306 HB3 ASP 48 3HB ASP 48 -1.020 -4.395 22.282 307 H GLY 49 H GLY 49 -2.884 -8.187 20.958 308 HA2 GLY 49 2HA GLY 49 -2.466 -8.832 23.780 309 HA3 GLY 49 3HA GLY 49 -4.073 -9.107 23.123 310 H GLU 50 H GLU 50 -2.962 -11.260 24.132 311 HA GLU 50 HA GLU 50 -1.241 -12.722 22.435 312 HB2 GLU 50 2HB GLU 50 -1.895 -13.124 24.924 313 HB3 GLU 50 3HB GLU 50 -3.233 -14.042 24.248 314 HG2 GLU 50 2HG GLU 50 -1.400 -15.508 24.804 315 HG3 GLU 50 3HG GLU 50 -1.651 -15.474 23.059 316 H TRP 51 H TRP 51 -1.649 -14.288 20.900 317 HA TRP 51 HA TRP 51 -4.357 -14.225 19.759 318 HB2 TRP 51 2HB TRP 51 -1.767 -15.066 18.440 319 HB3 TRP 51 3HB TRP 51 -3.333 -14.898 17.652 320 HD1 TRP 51 HD1 TRP 51 -0.400 -12.846 18.957 321 HE1 TRP 51 HE1 TRP 51 -0.636 -10.426 18.111 322 HE3 TRP 51 HE3 TRP 51 -5.092 -13.142 16.948 323 HZ2 TRP 51 HZ2 TRP 51 -2.558 -8.851 16.771 324 HZ3 TRP 51 HZ3 TRP 51 -6.056 -11.134 15.904 325 HH2 TRP 51 HH2 TRP 51 -4.815 -9.034 15.819 326 H THR 52 H THR 52 -5.534 -16.049 19.498 327 HA THR 52 HA THR 52 -4.338 -18.552 20.490 328 HB THR 52 HB THR 52 -6.880 -19.167 20.739 329 HG1 THR 52 HG1 THR 52 -7.982 -17.133 21.414 330 HG21 THR 52 1HG2 THR 52 -5.069 -18.768 22.526 331 HG22 THR 52 2HG2 THR 52 -6.758 -18.638 23.015 332 HG23 THR 52 3HG2 THR 52 -5.810 -17.181 22.719 333 H TYR 53 H TYR 53 -4.808 -20.503 19.425 334 HA TYR 53 HA TYR 53 -6.037 -20.253 16.766 335 HB2 TYR 53 2HB TYR 53 -3.563 -21.901 17.283 336 HB3 TYR 53 3HB TYR 53 -4.293 -21.507 15.731 337 HD1 TYR 53 HD1 TYR 53 -4.669 -18.689 15.719 338 HD2 TYR 53 HD2 TYR 53 -1.491 -20.911 17.469 339 HE1 TYR 53 HE1 TYR 53 -3.197 -16.728 15.522 340 HE2 TYR 53 HE2 TYR 53 -0.010 -18.956 17.278 341 HH TYR 53 HH TYR 53 -0.161 -16.546 17.076 342 H ASP 54 H ASP 54 -7.309 -21.926 16.143 343 HA ASP 54 HA ASP 54 -7.326 -24.358 17.785 344 HB2 ASP 54 2HB ASP 54 -9.773 -22.729 17.063 345 HB3 ASP 54 3HB ASP 54 -9.807 -24.319 17.819 346 H ASP 55 H ASP 55 -6.923 -25.975 16.440 347 HA ASP 55 HA ASP 55 -7.503 -25.784 13.624 348 HB2 ASP 55 2HB ASP 55 -5.710 -27.257 15.231 349 HB3 ASP 55 3HB ASP 55 -6.748 -28.439 14.439 350 H ALA 56 H ALA 56 -8.947 -27.234 16.430 351 HA ALA 56 HA ALA 56 -10.630 -29.064 15.010 352 HB1 ALA 56 1HB ALA 56 -11.881 -28.831 17.366 353 HB2 ALA 56 2HB ALA 56 -10.439 -29.820 17.133 354 HB3 ALA 56 3HB ALA 56 -10.297 -28.201 17.816 355 H THR 57 H THR 57 -11.076 -25.853 16.447 356 HA THR 57 HA THR 57 -13.815 -25.720 15.478 357 HB THR 57 HB THR 57 -14.023 -23.669 16.672 358 HG1 THR 57 HG1 THR 57 -12.204 -22.603 17.534 359 HG21 THR 57 1HG2 THR 57 -13.819 -25.833 17.996 360 HG22 THR 57 2HG2 THR 57 -13.565 -24.336 18.893 361 HG23 THR 57 3HG2 THR 57 -12.183 -25.313 18.398 362 H LYS 58 H LYS 58 -10.667 -24.767 14.493 363 HA LYS 58 HA LYS 58 -9.873 -23.613 12.701 364 HB2 LYS 58 2HB LYS 58 -12.659 -24.177 11.672 365 HB3 LYS 58 3HB LYS 58 -11.358 -23.521 10.688 366 HG2 LYS 58 2HG LYS 58 -11.177 -25.727 10.163 367 HG3 LYS 58 3HG LYS 58 -10.082 -25.658 11.546 368 HD2 LYS 58 2HD LYS 58 -11.543 -26.764 12.931 369 HD3 LYS 58 3HD LYS 58 -12.966 -26.239 12.027 370 HE2 LYS 58 2HE LYS 58 -12.534 -28.641 11.757 371 HE3 LYS 58 3HE LYS 58 -12.420 -27.771 10.227 372 HZ1 LYS 58 1HZ LYS 58 -10.064 -28.452 11.894 373 HZ2 LYS 58 2HZ LYS 58 -10.067 -27.867 10.307 374 HZ3 LYS 58 3HZ LYS 58 -10.625 -29.431 10.633 375 H THR 59 H THR 59 -10.725 -22.043 14.814 376 HA THR 59 HA THR 59 -11.588 -19.625 13.385 377 HB THR 59 HB THR 59 -12.566 -20.327 16.157 378 HG1 THR 59 HG1 THR 59 -13.575 -21.697 14.671 379 HG21 THR 59 1HG2 THR 59 -12.549 -17.979 15.900 380 HG22 THR 59 2HG2 THR 59 -14.211 -18.472 15.575 381 HG23 THR 59 3HG2 THR 59 -13.131 -18.078 14.239 382 H PHE 60 H PHE 60 -10.769 -17.672 14.196 383 HA PHE 60 HA PHE 60 -8.476 -18.000 16.011 384 HB2 PHE 60 2HB PHE 60 -8.971 -16.196 13.667 385 HB3 PHE 60 3HB PHE 60 -7.825 -15.717 14.915 386 HD1 PHE 60 HD1 PHE 60 -8.615 -18.867 13.069 387 HD2 PHE 60 HD2 PHE 60 -5.644 -16.101 14.351 388 HE1 PHE 60 HE1 PHE 60 -6.878 -20.238 11.993 389 HE2 PHE 60 HE2 PHE 60 -3.903 -17.467 13.277 390 HZ PHE 60 HZ PHE 60 -4.518 -19.538 12.095 391 H THR 61 H THR 61 -8.063 -16.394 17.587 392 HA THR 61 HA THR 61 -10.104 -14.386 18.088 393 HB THR 61 HB THR 61 -9.443 -16.162 20.402 394 HG1 THR 61 HG1 THR 61 -11.394 -17.359 19.829 395 HG21 THR 61 1HG2 THR 61 -12.131 -15.362 20.384 396 HG22 THR 61 2HG2 THR 61 -11.212 -13.964 19.827 397 HG23 THR 61 3HG2 THR 61 -10.827 -14.712 21.376 398 H ILE 62 H ILE 62 -9.512 -12.979 19.952 399 HA ILE 62 HA ILE 62 -6.668 -13.011 20.629 400 HB ILE 62 HB ILE 62 -6.785 -11.590 18.654 401 HG12 ILE 62 2HG1 ILE 62 -6.484 -9.879 21.130 402 HG13 ILE 62 3HG1 ILE 62 -5.266 -11.022 20.570 403 HG21 ILE 62 1HG2 ILE 62 -9.269 -10.843 19.667 404 HG22 ILE 62 2HG2 ILE 62 -8.278 -9.390 19.775 405 HG23 ILE 62 3HG2 ILE 62 -8.475 -10.208 18.226 406 HD11 ILE 62 1HD1 ILE 62 -5.690 -8.328 19.780 407 HD12 ILE 62 2HD1 ILE 62 -4.419 -9.444 19.281 408 HD13 ILE 62 3HD1 ILE 62 -5.934 -9.374 18.382 409 H THR 63 H THR 63 -6.344 -12.543 22.705 410 HA THR 63 HA THR 63 -8.534 -11.243 24.190 411 HB THR 63 HB THR 63 -7.225 -12.389 26.189 412 HG1 THR 63 HG1 THR 63 -5.619 -13.475 25.229 413 HG21 THR 63 1HG2 THR 63 -9.398 -13.267 24.426 414 HG22 THR 63 2HG2 THR 63 -9.338 -13.161 26.186 415 HG23 THR 63 3HG2 THR 63 -8.654 -14.563 25.362 416 H GLU 64 H GLU 64 -8.096 -9.227 24.774 417 HA GLU 64 HA GLU 64 -5.299 -8.420 25.134 418 HB2 GLU 64 2HB GLU 64 -7.037 -7.216 23.580 419 HB3 GLU 64 3HB GLU 64 -7.583 -6.484 25.082 420 HG2 GLU 64 2HG GLU 64 -4.844 -6.299 23.858 421 HG3 GLU 64 3HG GLU 64 -6.031 -5.008 24.030 Start of MODEL 6 1 H MET 9 H MET 9 -8.292 -18.952 1.975 2 HA MET 9 HA MET 9 -10.958 -20.178 1.840 3 HB2 MET 9 2HB MET 9 -8.680 -20.928 3.658 4 HB3 MET 9 3HB MET 9 -10.352 -21.261 4.092 5 HG2 MET 9 2HG MET 9 -10.517 -22.459 1.850 6 HG3 MET 9 3HG MET 9 -8.758 -22.372 1.812 7 HE1 MET 9 1HE MET 9 -9.977 -25.783 2.140 8 HE2 MET 9 2HE MET 9 -11.313 -25.431 3.236 9 HE3 MET 9 3HE MET 9 -11.084 -24.458 1.783 10 H THR 10 H THR 10 -12.449 -19.441 3.350 11 HA THR 10 HA THR 10 -11.913 -16.809 4.397 12 HB THR 10 HB THR 10 -14.438 -18.341 4.942 13 HG1 THR 10 HG1 THR 10 -14.581 -18.558 2.829 14 HG21 THR 10 1HG2 THR 10 -14.546 -16.272 5.981 15 HG22 THR 10 2HG2 THR 10 -15.300 -15.936 4.422 16 HG23 THR 10 3HG2 THR 10 -13.624 -15.471 4.709 17 H PHE 11 H PHE 11 -11.766 -16.192 6.512 18 HA PHE 11 HA PHE 11 -11.845 -18.319 8.544 19 HB2 PHE 11 2HB PHE 11 -9.656 -16.421 7.886 20 HB3 PHE 11 3HB PHE 11 -9.955 -16.732 9.593 21 HD1 PHE 11 HD1 PHE 11 -10.131 -19.251 10.260 22 HD2 PHE 11 HD2 PHE 11 -8.254 -17.821 6.717 23 HE1 PHE 11 HE1 PHE 11 -8.835 -21.338 10.107 24 HE2 PHE 11 HE2 PHE 11 -6.957 -19.906 6.559 25 HZ PHE 11 HZ PHE 11 -7.247 -21.668 8.255 26 H LYS 12 H LYS 12 -11.828 -17.308 10.817 27 HA LYS 12 HA LYS 12 -13.360 -14.805 10.877 28 HB2 LYS 12 2HB LYS 12 -14.837 -16.893 10.989 29 HB3 LYS 12 3HB LYS 12 -14.126 -17.176 12.571 30 HG2 LYS 12 2HG LYS 12 -15.985 -16.033 13.193 31 HG3 LYS 12 3HG LYS 12 -14.877 -14.677 12.968 32 HD2 LYS 12 2HD LYS 12 -15.896 -13.989 11.034 33 HD3 LYS 12 3HD LYS 12 -16.461 -15.611 10.627 34 HE2 LYS 12 2HE LYS 12 -18.166 -15.483 12.339 35 HE3 LYS 12 3HE LYS 12 -17.556 -13.917 12.870 36 HZ1 LYS 12 1HZ LYS 12 -18.595 -14.422 10.138 37 HZ2 LYS 12 2HZ LYS 12 -18.232 -12.927 10.840 38 HZ3 LYS 12 3HZ LYS 12 -19.550 -13.828 11.402 39 H LEU 13 H LEU 13 -12.308 -13.424 12.132 40 HA LEU 13 HA LEU 13 -10.876 -14.471 14.485 41 HB2 LEU 13 2HB LEU 13 -9.574 -13.425 12.497 42 HB3 LEU 13 3HB LEU 13 -10.156 -11.893 13.147 43 HG LEU 13 HG LEU 13 -8.646 -13.827 14.871 44 HD11 LEU 13 1HD1 LEU 13 -6.979 -11.714 13.904 45 HD12 LEU 13 2HD1 LEU 13 -7.608 -12.643 12.545 46 HD13 LEU 13 3HD1 LEU 13 -6.724 -13.458 13.834 47 HD21 LEU 13 1HD2 LEU 13 -8.092 -11.808 16.106 48 HD22 LEU 13 2HD2 LEU 13 -9.840 -11.971 15.938 49 HD23 LEU 13 3HD2 LEU 13 -8.959 -10.827 14.923 50 H ILE 14 H ILE 14 -12.127 -14.060 16.197 51 HA ILE 14 HA ILE 14 -13.868 -11.783 16.332 52 HB ILE 14 HB ILE 14 -13.098 -13.720 18.517 53 HG12 ILE 14 2HG1 ILE 14 -14.124 -14.878 16.630 54 HG13 ILE 14 3HG1 ILE 14 -15.245 -14.823 17.987 55 HG21 ILE 14 1HG2 ILE 14 -14.688 -11.322 18.508 56 HG22 ILE 14 2HG2 ILE 14 -15.671 -12.720 18.939 57 HG23 ILE 14 3HG2 ILE 14 -14.215 -12.348 19.861 58 HD11 ILE 14 1HD1 ILE 14 -15.307 -13.058 15.551 59 HD12 ILE 14 2HD1 ILE 14 -16.405 -14.389 15.919 60 HD13 ILE 14 3HD1 ILE 14 -16.405 -12.940 16.926 61 H ILE 15 H ILE 15 -13.471 -9.833 17.159 62 HA ILE 15 HA ILE 15 -10.837 -9.326 18.311 63 HB ILE 15 HB ILE 15 -12.980 -7.370 17.473 64 HG12 ILE 15 2HG1 ILE 15 -10.395 -8.096 16.082 65 HG13 ILE 15 3HG1 ILE 15 -11.977 -8.714 15.618 66 HG21 ILE 15 1HG2 ILE 15 -10.566 -7.056 19.003 67 HG22 ILE 15 2HG2 ILE 15 -10.468 -6.144 17.498 68 HG23 ILE 15 3HG2 ILE 15 -11.806 -5.866 18.611 69 HD11 ILE 15 1HD1 ILE 15 -11.620 -6.969 14.144 70 HD12 ILE 15 2HD1 ILE 15 -12.630 -6.236 15.391 71 HD13 ILE 15 3HD1 ILE 15 -10.892 -5.942 15.378 72 H ASN 16 H ASN 16 -10.577 -9.294 20.435 73 HA ASN 16 HA ASN 16 -12.767 -8.285 22.117 74 HB2 ASN 16 2HB ASN 16 -12.369 -10.893 22.042 75 HB3 ASN 16 3HB ASN 16 -11.040 -10.507 23.131 76 HD21 ASN 16 1HD2 ASN 16 -13.482 -12.016 23.622 77 HD22 ASN 16 2HD2 ASN 16 -14.280 -11.222 24.932 78 H GLY 17 H GLY 17 -11.918 -6.367 22.717 79 HA2 GLY 17 2HA GLY 17 -9.710 -6.375 24.552 80 HA3 GLY 17 3HA GLY 17 -9.305 -5.618 23.018 81 H LYS 18 H LYS 18 -8.966 -3.660 24.219 82 HA LYS 18 HA LYS 18 -11.368 -2.396 25.309 83 HB2 LYS 18 2HB LYS 18 -8.536 -1.347 25.316 84 HB3 LYS 18 3HB LYS 18 -9.891 -0.745 26.261 85 HG2 LYS 18 2HG LYS 18 -8.810 -3.533 26.555 86 HG3 LYS 18 3HG LYS 18 -8.217 -2.161 27.495 87 HD2 LYS 18 2HD LYS 18 -11.151 -2.664 27.411 88 HD3 LYS 18 3HD LYS 18 -10.144 -3.721 28.402 89 HE2 LYS 18 2HE LYS 18 -9.863 -0.751 28.607 90 HE3 LYS 18 3HE LYS 18 -11.182 -1.573 29.440 91 HZ1 LYS 18 1HZ LYS 18 -9.793 -2.446 30.945 92 HZ2 LYS 18 2HZ LYS 18 -8.734 -1.218 30.466 93 HZ3 LYS 18 3HZ LYS 18 -8.577 -2.771 29.814 94 H THR 19 H THR 19 -8.704 -1.541 23.096 95 HA THR 19 HA THR 19 -10.015 0.742 22.042 96 HB THR 19 HB THR 19 -7.765 -0.884 20.841 97 HG1 THR 19 HG1 THR 19 -6.450 0.354 22.025 98 HG21 THR 19 1HG2 THR 19 -7.463 1.703 19.990 99 HG22 THR 19 2HG2 THR 19 -9.213 1.491 19.932 100 HG23 THR 19 3HG2 THR 19 -8.162 0.394 19.037 101 H LEU 20 H LEU 20 -9.534 -2.540 20.750 102 HA LEU 20 HA LEU 20 -11.566 -1.972 18.707 103 HB2 LEU 20 2HB LEU 20 -9.426 -4.079 18.886 104 HB3 LEU 20 3HB LEU 20 -10.700 -4.101 17.668 105 HG LEU 20 HG LEU 20 -8.606 -1.952 17.992 106 HD11 LEU 20 1HD1 LEU 20 -8.132 -2.948 15.584 107 HD12 LEU 20 2HD1 LEU 20 -8.797 -4.400 16.329 108 HD13 LEU 20 3HD1 LEU 20 -7.385 -3.615 17.036 109 HD21 LEU 20 1HD2 LEU 20 -11.147 -1.953 16.678 110 HD22 LEU 20 2HD2 LEU 20 -9.861 -1.857 15.475 111 HD23 LEU 20 3HD2 LEU 20 -9.944 -0.668 16.775 112 H LYS 21 H LYS 21 -13.335 -3.321 18.417 113 HA LYS 21 HA LYS 21 -13.732 -5.658 20.036 114 HB2 LYS 21 2HB LYS 21 -15.787 -4.750 21.161 115 HB3 LYS 21 3HB LYS 21 -14.270 -4.083 21.750 116 HG2 LYS 21 2HG LYS 21 -14.618 -2.070 20.441 117 HG3 LYS 21 3HG LYS 21 -16.109 -2.741 19.779 118 HD2 LYS 21 2HD LYS 21 -15.760 -2.511 22.740 119 HD3 LYS 21 3HD LYS 21 -16.213 -1.092 21.793 120 HE2 LYS 21 2HE LYS 21 -18.015 -2.699 20.796 121 HE3 LYS 21 3HE LYS 21 -17.725 -3.624 22.267 122 HZ1 LYS 21 1HZ LYS 21 -18.131 -1.472 23.487 123 HZ2 LYS 21 2HZ LYS 21 -19.484 -2.174 22.754 124 HZ3 LYS 21 3HZ LYS 21 -18.723 -0.848 22.030 125 H GLY 22 H GLY 22 -15.008 -7.033 18.963 126 HA2 GLY 22 2HA GLY 22 -17.381 -6.837 17.805 127 HA3 GLY 22 3HA GLY 22 -16.387 -6.053 16.585 128 H GLU 23 H GLU 23 -16.489 -7.507 14.954 129 HA GLU 23 HA GLU 23 -14.880 -9.836 15.110 130 HB2 GLU 23 2HB GLU 23 -16.586 -11.539 14.740 131 HB3 GLU 23 3HB GLU 23 -16.849 -10.724 16.276 132 HG2 GLU 23 2HG GLU 23 -18.297 -9.919 13.777 133 HG3 GLU 23 3HG GLU 23 -18.886 -11.197 14.837 134 H THR 24 H THR 24 -14.488 -10.764 13.079 135 HA THR 24 HA THR 24 -15.966 -9.985 10.752 136 HB THR 24 HB THR 24 -14.629 -7.926 11.173 137 HG1 THR 24 HG1 THR 24 -15.069 -8.121 9.061 138 HG21 THR 24 1HG2 THR 24 -12.106 -8.843 10.219 139 HG22 THR 24 2HG2 THR 24 -12.555 -9.808 11.625 140 HG23 THR 24 3HG2 THR 24 -12.482 -8.050 11.748 141 H THR 25 H THR 25 -14.707 -10.688 8.710 142 HA THR 25 HA THR 25 -13.340 -13.226 9.325 143 HB THR 25 HB THR 25 -14.133 -14.013 7.102 144 HG1 THR 25 HG1 THR 25 -15.744 -11.661 7.155 145 HG21 THR 25 1HG2 THR 25 -16.558 -14.207 7.759 146 HG22 THR 25 2HG2 THR 25 -16.200 -13.138 9.116 147 HG23 THR 25 3HG2 THR 25 -15.404 -14.707 8.995 148 H THR 26 H THR 26 -11.993 -13.986 7.351 149 HA THR 26 HA THR 26 -10.743 -11.893 5.814 150 HB THR 26 HB THR 26 -9.094 -13.351 7.888 151 HG1 THR 26 HG1 THR 26 -9.422 -10.552 7.750 152 HG21 THR 26 1HG2 THR 26 -7.797 -11.110 6.661 153 HG22 THR 26 2HG2 THR 26 -8.350 -12.225 5.412 154 HG23 THR 26 3HG2 THR 26 -7.292 -12.799 6.700 155 H GLU 27 H GLU 27 -10.341 -12.741 3.887 156 HA GLU 27 HA GLU 27 -10.113 -15.642 3.624 157 HB2 GLU 27 2HB GLU 27 -10.621 -13.420 1.653 158 HB3 GLU 27 3HB GLU 27 -10.256 -15.060 1.133 159 HG2 GLU 27 2HG GLU 27 -12.208 -15.770 2.622 160 HG3 GLU 27 3HG GLU 27 -12.643 -14.063 2.640 161 H ALA 28 H ALA 28 -8.098 -16.367 3.903 162 HA ALA 28 HA ALA 28 -5.938 -15.026 2.411 163 HB1 ALA 28 1HB ALA 28 -5.326 -16.542 4.903 164 HB2 ALA 28 2HB ALA 28 -4.465 -15.192 4.162 165 HB3 ALA 28 3HB ALA 28 -5.974 -14.905 5.029 166 H VAL 29 H VAL 29 -3.936 -16.688 2.455 167 HA VAL 29 HA VAL 29 -4.853 -18.938 0.906 168 HB VAL 29 HB VAL 29 -2.834 -17.668 0.261 169 HG11 VAL 29 1HG1 VAL 29 -1.311 -19.011 2.451 170 HG12 VAL 29 2HG1 VAL 29 -0.899 -17.573 1.514 171 HG13 VAL 29 3HG1 VAL 29 -2.137 -17.485 2.767 172 HG21 VAL 29 1HG2 VAL 29 -3.280 -20.262 -0.076 173 HG22 VAL 29 2HG2 VAL 29 -1.801 -19.487 -0.643 174 HG23 VAL 29 3HG2 VAL 29 -1.800 -20.381 0.877 175 H ASP 30 H ASP 30 -3.683 -18.372 4.133 176 HA ASP 30 HA ASP 30 -4.366 -21.086 4.872 177 HB2 ASP 30 2HB ASP 30 -1.837 -20.870 4.130 178 HB3 ASP 30 3HB ASP 30 -1.650 -20.198 5.748 179 H ALA 31 H ALA 31 -3.960 -21.378 7.320 180 HA ALA 31 HA ALA 31 -5.441 -19.449 8.699 181 HB1 ALA 31 1HB ALA 31 -4.807 -21.968 9.242 182 HB2 ALA 31 2HB ALA 31 -3.589 -21.177 10.244 183 HB3 ALA 31 3HB ALA 31 -5.300 -20.833 10.500 184 H ALA 32 H ALA 32 -1.939 -20.084 8.743 185 HA ALA 32 HA ALA 32 -1.239 -18.077 10.565 186 HB1 ALA 32 1HB ALA 32 0.353 -19.317 8.326 187 HB2 ALA 32 2HB ALA 32 1.032 -18.257 9.563 188 HB3 ALA 32 3HB ALA 32 0.326 -19.807 10.020 189 H THR 33 H THR 33 -2.087 -17.921 7.213 190 HA THR 33 HA THR 33 -0.929 -15.325 6.753 191 HB THR 33 HB THR 33 -3.078 -16.520 5.029 192 HG1 THR 33 HG1 THR 33 -1.690 -18.230 5.228 193 HG21 THR 33 1HG2 THR 33 -0.563 -15.083 4.217 194 HG22 THR 33 2HG2 THR 33 -2.038 -14.219 4.652 195 HG23 THR 33 3HG2 THR 33 -2.037 -15.330 3.282 196 H ALA 34 H ALA 34 -4.225 -16.593 7.180 197 HA ALA 34 HA ALA 34 -5.665 -14.255 6.904 198 HB1 ALA 34 1HB ALA 34 -6.094 -16.774 8.424 199 HB2 ALA 34 2HB ALA 34 -7.174 -15.413 8.732 200 HB3 ALA 34 3HB ALA 34 -7.031 -16.075 7.103 201 H GLU 35 H GLU 35 -4.265 -15.581 9.900 202 HA GLU 35 HA GLU 35 -5.069 -13.475 11.577 203 HB2 GLU 35 2HB GLU 35 -4.372 -15.541 12.560 204 HB3 GLU 35 3HB GLU 35 -2.796 -15.448 11.786 205 HG2 GLU 35 2HG GLU 35 -3.528 -13.224 13.586 206 HG3 GLU 35 3HG GLU 35 -3.214 -14.789 14.334 207 H LYS 36 H LYS 36 -2.277 -13.890 9.500 208 HA LYS 36 HA LYS 36 -0.747 -11.732 10.511 209 HB2 LYS 36 2HB LYS 36 -0.082 -13.698 8.920 210 HB3 LYS 36 3HB LYS 36 -0.604 -12.602 7.646 211 HG2 LYS 36 2HG LYS 36 1.015 -10.949 8.369 212 HG3 LYS 36 3HG LYS 36 1.508 -11.991 9.706 213 HD2 LYS 36 2HD LYS 36 2.559 -13.509 8.304 214 HD3 LYS 36 3HD LYS 36 1.622 -13.008 6.894 215 HE2 LYS 36 2HE LYS 36 3.957 -12.266 6.756 216 HE3 LYS 36 3HE LYS 36 2.836 -10.907 6.805 217 HZ1 LYS 36 1HZ LYS 36 4.984 -11.046 8.330 218 HZ2 LYS 36 2HZ LYS 36 3.890 -11.822 9.360 219 HZ3 LYS 36 3HZ LYS 36 3.574 -10.251 8.819 220 H VAL 37 H VAL 37 -3.406 -11.936 8.281 221 HA VAL 37 HA VAL 37 -3.062 -9.460 6.969 222 HB VAL 37 HB VAL 37 -5.627 -10.960 7.517 223 HG11 VAL 37 1HG1 VAL 37 -6.501 -9.719 5.580 224 HG12 VAL 37 2HG1 VAL 37 -6.058 -8.649 6.912 225 HG13 VAL 37 3HG1 VAL 37 -4.998 -8.798 5.509 226 HG21 VAL 37 1HG2 VAL 37 -3.400 -11.507 5.777 227 HG22 VAL 37 2HG2 VAL 37 -4.838 -12.478 6.096 228 HG23 VAL 37 3HG2 VAL 37 -4.871 -11.239 4.841 229 H PHE 38 H PHE 38 -4.866 -10.378 9.879 230 HA PHE 38 HA PHE 38 -5.678 -7.629 10.339 231 HB2 PHE 38 2HB PHE 38 -7.305 -9.341 10.845 232 HB3 PHE 38 3HB PHE 38 -6.165 -10.172 11.900 233 HD1 PHE 38 HD1 PHE 38 -5.698 -9.354 14.120 234 HD2 PHE 38 HD2 PHE 38 -8.413 -7.310 11.557 235 HE1 PHE 38 HE1 PHE 38 -6.536 -8.065 16.041 236 HE2 PHE 38 HE2 PHE 38 -9.254 -6.017 13.474 237 HZ PHE 38 HZ PHE 38 -8.315 -6.393 15.719 238 H LYS 39 H LYS 39 -3.089 -9.675 11.151 239 HA LYS 39 HA LYS 39 -2.349 -8.907 13.695 240 HB2 LYS 39 2HB LYS 39 -0.905 -9.867 11.292 241 HB3 LYS 39 3HB LYS 39 0.076 -9.091 12.529 242 HG2 LYS 39 2HG LYS 39 -1.853 -11.208 13.340 243 HG3 LYS 39 3HG LYS 39 -0.339 -11.673 12.562 244 HD2 LYS 39 2HD LYS 39 -0.195 -9.710 14.783 245 HD3 LYS 39 3HD LYS 39 -0.557 -11.387 15.199 246 HE2 LYS 39 2HE LYS 39 1.459 -12.035 13.830 247 HE3 LYS 39 3HE LYS 39 1.856 -10.320 13.747 248 HZ1 LYS 39 1HZ LYS 39 1.616 -10.488 16.320 249 HZ2 LYS 39 2HZ LYS 39 3.051 -10.971 15.567 250 HZ3 LYS 39 3HZ LYS 39 1.921 -12.132 16.055 251 H GLN 40 H GLN 40 -2.026 -7.153 10.678 252 HA GLN 40 HA GLN 40 -0.427 -5.059 11.877 253 HB2 GLN 40 2HB GLN 40 0.044 -5.555 9.587 254 HB3 GLN 40 3HB GLN 40 -1.650 -5.401 9.141 255 HG2 GLN 40 2HG GLN 40 -0.320 -3.037 10.333 256 HG3 GLN 40 3HG GLN 40 0.115 -3.486 8.685 257 HE21 GLN 40 1HE2 GLN 40 -1.801 -1.525 10.385 258 HE22 GLN 40 2HE2 GLN 40 -3.130 -1.355 9.295 259 H TYR 41 H TYR 41 -3.769 -5.707 11.205 260 HA TYR 41 HA TYR 41 -4.731 -3.047 11.319 261 HB2 TYR 41 2HB TYR 41 -5.860 -5.371 10.607 262 HB3 TYR 41 3HB TYR 41 -6.478 -5.264 12.252 263 HD1 TYR 41 HD1 TYR 41 -5.940 -2.764 9.518 264 HD2 TYR 41 HD2 TYR 41 -8.661 -4.534 12.269 265 HE1 TYR 41 HE1 TYR 41 -7.705 -1.234 8.748 266 HE2 TYR 41 HE2 TYR 41 -10.433 -3.010 11.505 267 HH TYR 41 HH TYR 41 -9.914 -0.792 8.808 268 H ALA 42 H ALA 42 -4.281 -5.560 13.761 269 HA ALA 42 HA ALA 42 -5.504 -4.169 15.897 270 HB1 ALA 42 1HB ALA 42 -4.139 -6.650 15.518 271 HB2 ALA 42 2HB ALA 42 -3.507 -5.848 16.957 272 HB3 ALA 42 3HB ALA 42 -5.236 -6.171 16.813 273 H ASN 43 H ASN 43 -2.219 -4.226 14.635 274 HA ASN 43 HA ASN 43 -1.032 -2.793 16.779 275 HB2 ASN 43 2HB ASN 43 -0.221 -3.509 13.991 276 HB3 ASN 43 3HB ASN 43 0.701 -2.278 14.849 277 HD21 ASN 43 1HD2 ASN 43 -0.777 -5.403 15.670 278 HD22 ASN 43 2HD2 ASN 43 0.631 -6.060 16.427 279 H ASP 44 H ASP 44 -2.397 -1.825 13.664 280 HA ASP 44 HA ASP 44 -1.706 0.924 13.905 281 HB2 ASP 44 2HB ASP 44 -2.170 -0.091 11.729 282 HB3 ASP 44 3HB ASP 44 -3.832 -0.412 12.218 283 H ASN 45 H ASN 45 -4.418 -1.015 14.945 284 HA ASN 45 HA ASN 45 -6.037 1.280 15.637 285 HB2 ASN 45 2HB ASN 45 -6.369 -1.686 15.766 286 HB3 ASN 45 3HB ASN 45 -7.383 -0.683 16.800 287 HD21 ASN 45 1HD2 ASN 45 -6.858 -1.882 13.670 288 HD22 ASN 45 2HD2 ASN 45 -8.143 -1.045 12.875 289 H GLY 46 H GLY 46 -3.629 -0.661 17.122 290 HA2 GLY 46 2HA GLY 46 -2.551 0.120 19.120 291 HA3 GLY 46 3HA GLY 46 -4.096 0.760 19.656 292 H LEU 47 H LEU 47 -5.228 -1.934 18.603 293 HA LEU 47 HA LEU 47 -5.286 -3.206 21.148 294 HB2 LEU 47 2HB LEU 47 -7.007 -3.203 19.170 295 HB3 LEU 47 3HB LEU 47 -6.088 -4.613 18.642 296 HG LEU 47 HG LEU 47 -8.094 -5.242 19.892 297 HD11 LEU 47 1HD1 LEU 47 -7.085 -6.983 20.919 298 HD12 LEU 47 2HD1 LEU 47 -5.951 -5.955 21.794 299 HD13 LEU 47 3HD1 LEU 47 -5.661 -6.343 20.098 300 HD21 LEU 47 1HD2 LEU 47 -7.369 -3.091 21.543 301 HD22 LEU 47 2HD2 LEU 47 -7.214 -4.544 22.531 302 HD23 LEU 47 3HD2 LEU 47 -8.743 -4.181 21.730 303 H ASP 48 H ASP 48 -4.067 -4.798 21.956 304 HA ASP 48 HA ASP 48 -2.544 -6.552 20.231 305 HB2 ASP 48 2HB ASP 48 -1.182 -4.393 20.669 306 HB3 ASP 48 3HB ASP 48 -0.991 -5.022 22.302 307 H GLY 49 H GLY 49 -3.061 -8.472 21.048 308 HA2 GLY 49 2HA GLY 49 -2.610 -8.947 23.898 309 HA3 GLY 49 3HA GLY 49 -4.221 -9.273 23.277 310 H GLU 50 H GLU 50 -3.221 -11.386 24.350 311 HA GLU 50 HA GLU 50 -1.414 -12.941 22.860 312 HB2 GLU 50 2HB GLU 50 -3.545 -13.621 24.870 313 HB3 GLU 50 3HB GLU 50 -2.609 -14.880 24.078 314 HG2 GLU 50 2HG GLU 50 -1.366 -14.589 25.956 315 HG3 GLU 50 3HG GLU 50 -0.577 -13.427 24.891 316 H TRP 51 H TRP 51 -1.640 -14.259 21.143 317 HA TRP 51 HA TRP 51 -4.211 -14.214 19.759 318 HB2 TRP 51 2HB TRP 51 -1.472 -15.102 18.830 319 HB3 TRP 51 3HB TRP 51 -2.920 -15.088 17.827 320 HD1 TRP 51 HD1 TRP 51 -0.133 -12.885 19.025 321 HE1 TRP 51 HE1 TRP 51 -0.435 -10.511 18.080 322 HE3 TRP 51 HE3 TRP 51 -4.881 -13.342 17.185 323 HZ2 TRP 51 HZ2 TRP 51 -2.423 -9.027 16.733 324 HZ3 TRP 51 HZ3 TRP 51 -5.911 -11.397 16.082 325 HH2 TRP 51 HH2 TRP 51 -4.706 -9.285 15.863 326 H THR 52 H THR 52 -5.389 -16.013 19.267 327 HA THR 52 HA THR 52 -4.442 -18.557 20.418 328 HB THR 52 HB THR 52 -6.682 -19.146 21.000 329 HG1 THR 52 HG1 THR 52 -8.424 -18.100 20.242 330 HG21 THR 52 1HG2 THR 52 -6.713 -16.281 21.814 331 HG22 THR 52 2HG2 THR 52 -5.356 -17.285 22.326 332 HG23 THR 52 3HG2 THR 52 -7.002 -17.729 22.776 333 H TYR 53 H TYR 53 -4.526 -20.355 19.178 334 HA TYR 53 HA TYR 53 -5.801 -20.133 16.533 335 HB2 TYR 53 2HB TYR 53 -3.448 -19.923 16.142 336 HB3 TYR 53 3HB TYR 53 -3.087 -21.274 17.211 337 HD1 TYR 53 HD1 TYR 53 -2.134 -22.951 15.933 338 HD2 TYR 53 HD2 TYR 53 -5.553 -20.913 14.428 339 HE1 TYR 53 HE1 TYR 53 -2.200 -24.490 14.015 340 HE2 TYR 53 HE2 TYR 53 -5.628 -22.446 12.506 341 HH TYR 53 HH TYR 53 -4.183 -23.929 11.276 342 H ASP 54 H ASP 54 -6.960 -21.860 15.853 343 HA ASP 54 HA ASP 54 -6.766 -24.381 17.319 344 HB2 ASP 54 2HB ASP 54 -9.179 -22.611 17.184 345 HB3 ASP 54 3HB ASP 54 -9.390 -24.359 17.240 346 H ASP 55 H ASP 55 -6.493 -25.917 15.856 347 HA ASP 55 HA ASP 55 -7.280 -25.506 13.104 348 HB2 ASP 55 2HB ASP 55 -5.113 -26.624 13.920 349 HB3 ASP 55 3HB ASP 55 -6.111 -28.040 14.238 350 H ALA 56 H ALA 56 -8.314 -27.409 15.856 351 HA ALA 56 HA ALA 56 -10.020 -29.192 14.484 352 HB1 ALA 56 1HB ALA 56 -10.607 -29.972 16.534 353 HB2 ALA 56 2HB ALA 56 -9.146 -29.098 16.994 354 HB3 ALA 56 3HB ALA 56 -10.729 -28.360 17.239 355 H THR 57 H THR 57 -10.522 -25.981 15.853 356 HA THR 57 HA THR 57 -13.319 -26.018 14.988 357 HB THR 57 HB THR 57 -13.661 -24.056 16.308 358 HG1 THR 57 HG1 THR 57 -11.980 -22.878 17.167 359 HG21 THR 57 1HG2 THR 57 -13.162 -24.841 18.496 360 HG22 THR 57 2HG2 THR 57 -11.770 -25.759 17.922 361 HG23 THR 57 3HG2 THR 57 -13.401 -26.272 17.494 362 H LYS 58 H LYS 58 -10.242 -24.788 14.094 363 HA LYS 58 HA LYS 58 -9.524 -23.491 12.369 364 HB2 LYS 58 2HB LYS 58 -12.305 -23.911 11.260 365 HB3 LYS 58 3HB LYS 58 -10.882 -23.415 10.354 366 HG2 LYS 58 2HG LYS 58 -10.914 -25.627 9.837 367 HG3 LYS 58 3HG LYS 58 -9.920 -25.684 11.295 368 HD2 LYS 58 2HD LYS 58 -11.592 -26.616 12.562 369 HD3 LYS 58 3HD LYS 58 -12.876 -25.912 11.578 370 HE2 LYS 58 2HE LYS 58 -12.934 -28.211 11.102 371 HE3 LYS 58 3HE LYS 58 -12.101 -27.483 9.731 372 HZ1 LYS 58 1HZ LYS 58 -10.086 -28.341 10.384 373 HZ2 LYS 58 2HZ LYS 58 -11.133 -29.588 10.839 374 HZ3 LYS 58 3HZ LYS 58 -10.543 -28.512 12.004 375 H THR 59 H THR 59 -10.381 -22.114 14.597 376 HA THR 59 HA THR 59 -11.383 -19.639 13.373 377 HB THR 59 HB THR 59 -12.209 -20.268 16.175 378 HG1 THR 59 HG1 THR 59 -13.675 -21.107 13.880 379 HG21 THR 59 1HG2 THR 59 -14.088 -18.835 15.607 380 HG22 THR 59 2HG2 THR 59 -13.550 -18.758 13.929 381 HG23 THR 59 3HG2 THR 59 -12.573 -18.030 15.203 382 H PHE 60 H PHE 60 -10.641 -17.713 14.327 383 HA PHE 60 HA PHE 60 -8.341 -18.070 16.134 384 HB2 PHE 60 2HB PHE 60 -8.780 -16.179 13.835 385 HB3 PHE 60 3HB PHE 60 -7.593 -15.831 15.087 386 HD1 PHE 60 HD1 PHE 60 -8.599 -18.676 12.890 387 HD2 PHE 60 HD2 PHE 60 -5.431 -16.463 14.675 388 HE1 PHE 60 HE1 PHE 60 -6.958 -20.085 11.717 389 HE2 PHE 60 HE2 PHE 60 -3.786 -17.867 13.504 390 HZ PHE 60 HZ PHE 60 -4.548 -19.680 12.021 391 H THR 61 H THR 61 -7.970 -16.469 17.727 392 HA THR 61 HA THR 61 -10.085 -14.515 18.201 393 HB THR 61 HB THR 61 -9.290 -16.167 20.555 394 HG1 THR 61 HG1 THR 61 -10.715 -17.760 20.049 395 HG21 THR 61 1HG2 THR 61 -11.960 -15.671 20.717 396 HG22 THR 61 2HG2 THR 61 -11.406 -14.279 19.786 397 HG23 THR 61 3HG2 THR 61 -10.707 -14.617 21.369 398 H ILE 62 H ILE 62 -9.532 -13.083 20.090 399 HA ILE 62 HA ILE 62 -6.760 -12.979 20.882 400 HB ILE 62 HB ILE 62 -6.577 -11.893 18.724 401 HG12 ILE 62 2HG1 ILE 62 -6.531 -9.885 20.988 402 HG13 ILE 62 3HG1 ILE 62 -5.233 -11.000 20.576 403 HG21 ILE 62 1HG2 ILE 62 -8.156 -9.534 19.254 404 HG22 ILE 62 2HG2 ILE 62 -8.156 -10.596 17.846 405 HG23 ILE 62 3HG2 ILE 62 -9.153 -10.988 19.247 406 HD11 ILE 62 1HD1 ILE 62 -4.408 -9.547 19.135 407 HD12 ILE 62 2HD1 ILE 62 -5.941 -9.486 18.265 408 HD13 ILE 62 3HD1 ILE 62 -5.653 -8.397 19.622 409 H THR 63 H THR 63 -6.707 -12.310 22.917 410 HA THR 63 HA THR 63 -8.898 -10.592 23.887 411 HB THR 63 HB THR 63 -8.289 -11.567 26.173 412 HG1 THR 63 HG1 THR 63 -7.033 -13.341 26.221 413 HG21 THR 63 1HG2 THR 63 -10.276 -12.176 24.671 414 HG22 THR 63 2HG2 THR 63 -9.831 -13.322 25.936 415 HG23 THR 63 3HG2 THR 63 -9.361 -13.626 24.264 416 H GLU 64 H GLU 64 -8.393 -8.694 24.804 417 HA GLU 64 HA GLU 64 -5.541 -8.129 25.283 418 HB2 GLU 64 2HB GLU 64 -6.845 -6.862 23.446 419 HB3 GLU 64 3HB GLU 64 -7.624 -6.021 24.778 420 HG2 GLU 64 2HG GLU 64 -4.645 -6.132 24.390 421 HG3 GLU 64 3HG GLU 64 -5.670 -4.839 23.770 Start of MODEL 7 1 H MET 9 H MET 9 -8.320 -19.096 1.502 2 HA MET 9 HA MET 9 -10.963 -20.366 1.789 3 HB2 MET 9 2HB MET 9 -10.067 -21.181 4.040 4 HB3 MET 9 3HB MET 9 -9.470 -21.994 2.599 5 HG2 MET 9 2HG MET 9 -7.437 -20.612 2.689 6 HG3 MET 9 3HG MET 9 -8.034 -19.868 4.171 7 HE1 MET 9 1HE MET 9 -6.438 -22.465 2.351 8 HE2 MET 9 2HE MET 9 -5.540 -23.371 3.569 9 HE3 MET 9 3HE MET 9 -7.122 -23.940 3.034 10 H THR 10 H THR 10 -12.219 -19.686 3.613 11 HA THR 10 HA THR 10 -11.619 -16.920 4.394 12 HB THR 10 HB THR 10 -14.249 -18.404 4.548 13 HG1 THR 10 HG1 THR 10 -13.205 -17.696 2.402 14 HG21 THR 10 1HG2 THR 10 -14.497 -16.743 6.124 15 HG22 THR 10 2HG2 THR 10 -15.002 -15.886 4.667 16 HG23 THR 10 3HG2 THR 10 -13.377 -15.654 5.308 17 H PHE 11 H PHE 11 -11.392 -16.319 6.485 18 HA PHE 11 HA PHE 11 -11.759 -18.397 8.540 19 HB2 PHE 11 2HB PHE 11 -9.423 -16.658 7.956 20 HB3 PHE 11 3HB PHE 11 -9.811 -16.923 9.652 21 HD1 PHE 11 HD1 PHE 11 -8.018 -18.137 6.907 22 HD2 PHE 11 HD2 PHE 11 -10.237 -19.444 10.295 23 HE1 PHE 11 HE1 PHE 11 -6.858 -20.306 6.826 24 HE2 PHE 11 HE2 PHE 11 -9.081 -21.614 10.221 25 HZ PHE 11 HZ PHE 11 -7.388 -22.047 8.485 26 H LYS 12 H LYS 12 -11.781 -17.372 10.802 27 HA LYS 12 HA LYS 12 -13.188 -14.792 10.760 28 HB2 LYS 12 2HB LYS 12 -14.635 -16.980 10.992 29 HB3 LYS 12 3HB LYS 12 -14.071 -16.928 12.657 30 HG2 LYS 12 2HG LYS 12 -14.897 -14.436 12.511 31 HG3 LYS 12 3HG LYS 12 -15.901 -15.086 11.213 32 HD2 LYS 12 2HD LYS 12 -15.799 -16.564 13.793 33 HD3 LYS 12 3HD LYS 12 -16.725 -15.063 13.725 34 HE2 LYS 12 2HE LYS 12 -17.875 -16.012 11.688 35 HE3 LYS 12 3HE LYS 12 -17.101 -17.549 12.069 36 HZ1 LYS 12 1HZ LYS 12 -18.608 -17.959 13.624 37 HZ2 LYS 12 2HZ LYS 12 -19.483 -16.622 13.067 38 HZ3 LYS 12 3HZ LYS 12 -18.395 -16.445 14.350 39 H LEU 13 H LEU 13 -12.640 -13.403 12.354 40 HA LEU 13 HA LEU 13 -10.971 -14.420 14.554 41 HB2 LEU 13 2HB LEU 13 -9.772 -13.183 12.620 42 HB3 LEU 13 3HB LEU 13 -10.493 -11.734 13.318 43 HG LEU 13 HG LEU 13 -8.815 -13.573 14.987 44 HD11 LEU 13 1HD1 LEU 13 -7.849 -12.367 12.697 45 HD12 LEU 13 2HD1 LEU 13 -6.894 -12.925 14.070 46 HD13 LEU 13 3HD1 LEU 13 -7.414 -11.242 13.984 47 HD21 LEU 13 1HD2 LEU 13 -9.512 -10.642 15.114 48 HD22 LEU 13 2HD2 LEU 13 -8.395 -11.458 16.208 49 HD23 LEU 13 3HD2 LEU 13 -10.097 -11.921 16.180 50 H ILE 14 H ILE 14 -11.857 -13.987 16.452 51 HA ILE 14 HA ILE 14 -13.916 -11.943 16.663 52 HB ILE 14 HB ILE 14 -12.958 -13.813 18.827 53 HG12 ILE 14 2HG1 ILE 14 -13.694 -15.127 16.904 54 HG13 ILE 14 3HG1 ILE 14 -14.868 -15.248 18.209 55 HG21 ILE 14 1HG2 ILE 14 -15.000 -11.746 18.634 56 HG22 ILE 14 2HG2 ILE 14 -15.628 -13.289 19.208 57 HG23 ILE 14 3HG2 ILE 14 -14.292 -12.511 20.057 58 HD11 ILE 14 1HD1 ILE 14 -16.330 -13.700 17.094 59 HD12 ILE 14 2HD1 ILE 14 -15.131 -13.426 15.830 60 HD13 ILE 14 3HD1 ILE 14 -15.899 -15.006 15.991 61 H ILE 15 H ILE 15 -13.295 -9.930 17.074 62 HA ILE 15 HA ILE 15 -10.810 -9.361 18.431 63 HB ILE 15 HB ILE 15 -12.950 -7.446 17.497 64 HG12 ILE 15 2HG1 ILE 15 -10.379 -8.290 16.141 65 HG13 ILE 15 3HG1 ILE 15 -11.993 -8.801 15.661 66 HG21 ILE 15 1HG2 ILE 15 -10.586 -7.080 19.060 67 HG22 ILE 15 2HG2 ILE 15 -10.393 -6.267 17.509 68 HG23 ILE 15 3HG2 ILE 15 -11.770 -5.881 18.538 69 HD11 ILE 15 1HD1 ILE 15 -12.419 -6.227 15.484 70 HD12 ILE 15 2HD1 ILE 15 -10.662 -6.166 15.336 71 HD13 ILE 15 3HD1 ILE 15 -11.612 -7.105 14.184 72 H ASN 16 H ASN 16 -10.680 -9.440 20.569 73 HA ASN 16 HA ASN 16 -12.902 -8.331 22.149 74 HB2 ASN 16 2HB ASN 16 -12.536 -10.948 22.118 75 HB3 ASN 16 3HB ASN 16 -11.256 -10.564 23.264 76 HD21 ASN 16 1HD2 ASN 16 -13.128 -12.112 24.221 77 HD22 ASN 16 2HD2 ASN 16 -14.214 -11.263 25.262 78 H GLY 17 H GLY 17 -11.813 -6.359 22.369 79 HA2 GLY 17 2HA GLY 17 -9.698 -6.419 24.386 80 HA3 GLY 17 3HA GLY 17 -9.328 -5.621 22.865 81 H LYS 18 H LYS 18 -8.975 -3.768 24.334 82 HA LYS 18 HA LYS 18 -11.390 -2.538 25.398 83 HB2 LYS 18 2HB LYS 18 -8.568 -1.462 25.441 84 HB3 LYS 18 3HB LYS 18 -9.925 -0.921 26.419 85 HG2 LYS 18 2HG LYS 18 -8.631 -3.635 26.579 86 HG3 LYS 18 3HG LYS 18 -8.356 -2.295 27.694 87 HD2 LYS 18 2HD LYS 18 -10.899 -2.337 28.055 88 HD3 LYS 18 3HD LYS 18 -10.844 -3.927 27.289 89 HE2 LYS 18 2HE LYS 18 -9.361 -3.068 29.771 90 HE3 LYS 18 3HE LYS 18 -10.745 -4.157 29.699 91 HZ1 LYS 18 1HZ LYS 18 -8.988 -5.610 29.806 92 HZ2 LYS 18 2HZ LYS 18 -7.963 -4.638 28.877 93 HZ3 LYS 18 3HZ LYS 18 -9.210 -5.505 28.132 94 H THR 19 H THR 19 -8.743 -1.590 23.203 95 HA THR 19 HA THR 19 -10.085 0.725 22.246 96 HB THR 19 HB THR 19 -7.850 -0.778 20.874 97 HG1 THR 19 HG1 THR 19 -6.464 0.488 22.103 98 HG21 THR 19 1HG2 THR 19 -7.303 1.551 20.064 99 HG22 THR 19 2HG2 THR 19 -8.878 2.050 20.684 100 HG23 THR 19 3HG2 THR 19 -8.776 0.843 19.401 101 H LEU 20 H LEU 20 -9.574 -2.514 20.870 102 HA LEU 20 HA LEU 20 -11.603 -1.898 18.831 103 HB2 LEU 20 2HB LEU 20 -9.271 -3.764 18.908 104 HB3 LEU 20 3HB LEU 20 -10.631 -4.108 17.842 105 HG LEU 20 HG LEU 20 -8.919 -1.624 17.768 106 HD11 LEU 20 1HD1 LEU 20 -8.355 -2.647 15.477 107 HD12 LEU 20 2HD1 LEU 20 -8.936 -4.159 16.173 108 HD13 LEU 20 3HD1 LEU 20 -7.575 -3.315 16.910 109 HD21 LEU 20 1HD2 LEU 20 -11.355 -2.490 16.260 110 HD22 LEU 20 2HD2 LEU 20 -10.160 -1.436 15.505 111 HD23 LEU 20 3HD2 LEU 20 -10.984 -0.924 16.979 112 H LYS 21 H LYS 21 -13.354 -3.244 18.516 113 HA LYS 21 HA LYS 21 -13.664 -5.651 20.086 114 HB2 LYS 21 2HB LYS 21 -15.737 -4.898 21.192 115 HB3 LYS 21 3HB LYS 21 -14.332 -3.983 21.722 116 HG2 LYS 21 2HG LYS 21 -14.982 -2.193 20.112 117 HG3 LYS 21 3HG LYS 21 -16.469 -3.092 19.800 118 HD2 LYS 21 2HD LYS 21 -17.130 -2.884 22.113 119 HD3 LYS 21 3HD LYS 21 -15.591 -2.122 22.520 120 HE2 LYS 21 2HE LYS 21 -17.132 -0.354 22.342 121 HE3 LYS 21 3HE LYS 21 -16.212 -0.322 20.838 122 HZ1 LYS 21 1HZ LYS 21 -18.867 -1.612 21.146 123 HZ2 LYS 21 2HZ LYS 21 -18.005 -1.403 19.707 124 HZ3 LYS 21 3HZ LYS 21 -18.630 -0.058 20.521 125 H GLY 22 H GLY 22 -15.188 -7.041 19.248 126 HA2 GLY 22 2HA GLY 22 -17.369 -7.032 17.916 127 HA3 GLY 22 3HA GLY 22 -16.425 -6.149 16.724 128 H GLU 23 H GLU 23 -16.532 -7.633 15.088 129 HA GLU 23 HA GLU 23 -14.712 -9.833 15.234 130 HB2 GLU 23 2HB GLU 23 -16.454 -11.548 14.573 131 HB3 GLU 23 3HB GLU 23 -16.483 -11.031 16.253 132 HG2 GLU 23 2HG GLU 23 -18.349 -9.547 15.783 133 HG3 GLU 23 3HG GLU 23 -18.307 -10.017 14.084 134 H THR 24 H THR 24 -14.504 -10.954 13.151 135 HA THR 24 HA THR 24 -15.843 -10.058 10.824 136 HB THR 24 HB THR 24 -14.513 -8.004 11.309 137 HG1 THR 24 HG1 THR 24 -14.992 -8.275 9.177 138 HG21 THR 24 1HG2 THR 24 -12.212 -7.965 11.393 139 HG22 THR 24 2HG2 THR 24 -12.045 -9.458 10.467 140 HG23 THR 24 3HG2 THR 24 -12.539 -9.520 12.160 141 H THR 25 H THR 25 -14.673 -10.800 8.801 142 HA THR 25 HA THR 25 -13.299 -13.334 9.394 143 HB THR 25 HB THR 25 -14.004 -13.999 7.073 144 HG1 THR 25 HG1 THR 25 -14.792 -12.440 5.889 145 HG21 THR 25 1HG2 THR 25 -15.243 -14.751 9.044 146 HG22 THR 25 2HG2 THR 25 -16.335 -14.456 7.690 147 HG23 THR 25 3HG2 THR 25 -16.216 -13.282 9.001 148 H THR 26 H THR 26 -11.838 -14.072 7.539 149 HA THR 26 HA THR 26 -10.482 -11.917 6.139 150 HB THR 26 HB THR 26 -8.935 -13.677 8.050 151 HG1 THR 26 HG1 THR 26 -8.723 -11.777 9.287 152 HG21 THR 26 1HG2 THR 26 -8.134 -12.204 5.782 153 HG22 THR 26 2HG2 THR 26 -7.105 -12.981 6.987 154 HG23 THR 26 3HG2 THR 26 -7.588 -11.297 7.192 155 H GLU 27 H GLU 27 -10.275 -12.647 4.134 156 HA GLU 27 HA GLU 27 -10.153 -15.502 3.613 157 HB2 GLU 27 2HB GLU 27 -10.479 -13.071 1.871 158 HB3 GLU 27 3HB GLU 27 -10.160 -14.656 1.179 159 HG2 GLU 27 2HG GLU 27 -12.429 -14.638 1.086 160 HG3 GLU 27 3HG GLU 27 -12.200 -15.358 2.679 161 H ALA 28 H ALA 28 -8.193 -16.374 3.908 162 HA ALA 28 HA ALA 28 -5.930 -15.135 2.490 163 HB1 ALA 28 1HB ALA 28 -6.177 -15.440 5.282 164 HB2 ALA 28 2HB ALA 28 -4.975 -16.611 4.739 165 HB3 ALA 28 3HB ALA 28 -4.770 -14.900 4.366 166 H VAL 29 H VAL 29 -4.034 -16.850 2.471 167 HA VAL 29 HA VAL 29 -5.093 -19.135 1.058 168 HB VAL 29 HB VAL 29 -3.108 -17.909 0.225 169 HG11 VAL 29 1HG1 VAL 29 -1.616 -19.178 2.513 170 HG12 VAL 29 2HG1 VAL 29 -0.987 -18.060 1.301 171 HG13 VAL 29 3HG1 VAL 29 -2.147 -17.496 2.505 172 HG21 VAL 29 1HG2 VAL 29 -2.077 -20.623 0.831 173 HG22 VAL 29 2HG2 VAL 29 -3.629 -20.508 0.001 174 HG23 VAL 29 3HG2 VAL 29 -2.193 -19.772 -0.710 175 H ASP 30 H ASP 30 -3.565 -18.474 4.133 176 HA ASP 30 HA ASP 30 -4.220 -21.172 5.013 177 HB2 ASP 30 2HB ASP 30 -1.431 -20.021 5.043 178 HB3 ASP 30 3HB ASP 30 -1.921 -21.330 6.114 179 H ALA 31 H ALA 31 -3.926 -21.399 7.408 180 HA ALA 31 HA ALA 31 -5.301 -19.404 8.776 181 HB1 ALA 31 1HB ALA 31 -4.384 -21.967 9.346 182 HB2 ALA 31 2HB ALA 31 -3.622 -20.935 10.558 183 HB3 ALA 31 3HB ALA 31 -5.377 -20.941 10.382 184 H ALA 32 H ALA 32 -1.822 -20.032 8.578 185 HA ALA 32 HA ALA 32 -1.029 -18.057 10.437 186 HB1 ALA 32 1HB ALA 32 0.910 -19.085 10.125 187 HB2 ALA 32 2HB ALA 32 0.242 -19.957 8.745 188 HB3 ALA 32 3HB ALA 32 1.014 -18.390 8.507 189 H THR 33 H THR 33 -1.956 -17.917 7.100 190 HA THR 33 HA THR 33 -0.790 -15.331 6.605 191 HB THR 33 HB THR 33 -2.973 -16.492 4.910 192 HG1 THR 33 HG1 THR 33 -0.344 -17.469 5.247 193 HG21 THR 33 1HG2 THR 33 -1.834 -15.398 3.129 194 HG22 THR 33 2HG2 THR 33 -0.409 -15.114 4.128 195 HG23 THR 33 3HG2 THR 33 -1.908 -14.248 4.462 196 H ALA 34 H ALA 34 -4.077 -16.585 7.114 197 HA ALA 34 HA ALA 34 -5.522 -14.252 6.831 198 HB1 ALA 34 1HB ALA 34 -6.708 -15.618 8.978 199 HB2 ALA 34 2HB ALA 34 -7.125 -15.724 7.267 200 HB3 ALA 34 3HB ALA 34 -5.960 -16.851 7.962 201 H GLU 35 H GLU 35 -3.836 -15.459 9.707 202 HA GLU 35 HA GLU 35 -4.681 -13.416 11.459 203 HB2 GLU 35 2HB GLU 35 -3.714 -15.535 12.243 204 HB3 GLU 35 3HB GLU 35 -2.163 -15.089 11.547 205 HG2 GLU 35 2HG GLU 35 -2.295 -13.032 13.072 206 HG3 GLU 35 3HG GLU 35 -3.560 -13.918 13.920 207 H LYS 36 H LYS 36 -1.852 -13.731 9.361 208 HA LYS 36 HA LYS 36 -0.446 -11.471 10.198 209 HB2 LYS 36 2HB LYS 36 0.605 -13.074 8.751 210 HB3 LYS 36 3HB LYS 36 -0.598 -12.809 7.495 211 HG2 LYS 36 2HG LYS 36 0.255 -10.658 7.003 212 HG3 LYS 36 3HG LYS 36 1.268 -10.655 8.448 213 HD2 LYS 36 2HD LYS 36 2.296 -12.805 7.338 214 HD3 LYS 36 3HD LYS 36 1.646 -12.089 5.861 215 HE2 LYS 36 2HE LYS 36 2.837 -9.944 6.628 216 HE3 LYS 36 3HE LYS 36 3.721 -10.995 7.733 217 HZ1 LYS 36 1HZ LYS 36 4.830 -10.576 5.555 218 HZ2 LYS 36 2HZ LYS 36 3.592 -11.453 4.807 219 HZ3 LYS 36 3HZ LYS 36 4.609 -12.212 5.925 220 H VAL 37 H VAL 37 -3.298 -11.765 8.254 221 HA VAL 37 HA VAL 37 -3.193 -9.267 6.938 222 HB VAL 37 HB VAL 37 -5.631 -10.870 7.724 223 HG11 VAL 37 1HG1 VAL 37 -6.864 -9.275 6.797 224 HG12 VAL 37 2HG1 VAL 37 -5.411 -8.293 6.597 225 HG13 VAL 37 3HG1 VAL 37 -5.927 -9.380 5.307 226 HG21 VAL 37 1HG2 VAL 37 -5.370 -11.382 5.133 227 HG22 VAL 37 2HG2 VAL 37 -3.670 -11.102 5.506 228 HG23 VAL 37 3HG2 VAL 37 -4.566 -12.357 6.363 229 H PHE 38 H PHE 38 -5.219 -10.235 9.714 230 HA PHE 38 HA PHE 38 -5.865 -7.535 10.371 231 HB2 PHE 38 2HB PHE 38 -7.433 -9.286 10.920 232 HB3 PHE 38 3HB PHE 38 -6.229 -10.117 11.899 233 HD1 PHE 38 HD1 PHE 38 -8.543 -7.293 11.730 234 HD2 PHE 38 HD2 PHE 38 -5.667 -9.337 14.112 235 HE1 PHE 38 HE1 PHE 38 -9.313 -6.058 13.715 236 HE2 PHE 38 HE2 PHE 38 -6.434 -8.106 16.099 237 HZ PHE 38 HZ PHE 38 -8.259 -6.464 15.903 238 H LYS 39 H LYS 39 -3.202 -9.543 11.028 239 HA LYS 39 HA LYS 39 -2.361 -8.805 13.548 240 HB2 LYS 39 2HB LYS 39 -1.021 -9.704 11.068 241 HB3 LYS 39 3HB LYS 39 0.010 -8.908 12.249 242 HG2 LYS 39 2HG LYS 39 -1.814 -11.080 13.154 243 HG3 LYS 39 3HG LYS 39 -0.329 -11.498 12.296 244 HD2 LYS 39 2HD LYS 39 -0.153 -9.547 14.534 245 HD3 LYS 39 3HD LYS 39 -0.398 -11.249 14.933 246 HE2 LYS 39 2HE LYS 39 1.887 -11.176 14.895 247 HE3 LYS 39 3HE LYS 39 1.568 -11.581 13.208 248 HZ1 LYS 39 1HZ LYS 39 1.624 -8.749 13.783 249 HZ2 LYS 39 2HZ LYS 39 2.330 -9.610 12.510 250 HZ3 LYS 39 3HZ LYS 39 3.104 -9.537 14.013 251 H GLN 40 H GLN 40 -2.172 -7.000 10.542 252 HA GLN 40 HA GLN 40 -0.574 -4.894 11.708 253 HB2 GLN 40 2HB GLN 40 -0.316 -5.473 9.338 254 HB3 GLN 40 3HB GLN 40 -1.996 -5.043 9.043 255 HG2 GLN 40 2HG GLN 40 -1.366 -2.723 9.907 256 HG3 GLN 40 3HG GLN 40 0.306 -3.246 9.709 257 HE21 GLN 40 1HE2 GLN 40 -2.759 -3.151 7.927 258 HE22 GLN 40 2HE2 GLN 40 -2.057 -2.742 6.402 259 H TYR 41 H TYR 41 -3.933 -5.592 11.185 260 HA TYR 41 HA TYR 41 -4.939 -2.955 11.394 261 HB2 TYR 41 2HB TYR 41 -6.058 -5.295 10.714 262 HB3 TYR 41 3HB TYR 41 -6.591 -5.217 12.389 263 HD1 TYR 41 HD1 TYR 41 -6.244 -2.681 9.658 264 HD2 TYR 41 HD2 TYR 41 -8.785 -4.531 12.526 265 HE1 TYR 41 HE1 TYR 41 -8.075 -1.178 8.997 266 HE2 TYR 41 HE2 TYR 41 -10.623 -3.034 11.871 267 HH TYR 41 HH TYR 41 -11.271 -1.388 10.537 268 H ALA 42 H ALA 42 -4.341 -5.501 13.776 269 HA ALA 42 HA ALA 42 -5.463 -4.153 15.991 270 HB1 ALA 42 1HB ALA 42 -3.403 -5.816 16.934 271 HB2 ALA 42 2HB ALA 42 -5.129 -6.169 16.852 272 HB3 ALA 42 3HB ALA 42 -4.074 -6.608 15.509 273 H ASN 43 H ASN 43 -2.220 -4.196 14.604 274 HA ASN 43 HA ASN 43 -1.011 -2.695 16.705 275 HB2 ASN 43 2HB ASN 43 0.290 -4.162 15.208 276 HB3 ASN 43 3HB ASN 43 -0.084 -3.101 13.852 277 HD21 ASN 43 1HD2 ASN 43 1.231 -2.907 17.144 278 HD22 ASN 43 2HD2 ASN 43 2.495 -1.795 16.754 279 H ASP 44 H ASP 44 -2.616 -1.894 13.701 280 HA ASP 44 HA ASP 44 -1.803 0.852 13.682 281 HB2 ASP 44 2HB ASP 44 -2.387 -0.179 11.587 282 HB3 ASP 44 3HB ASP 44 -3.978 -0.626 12.195 283 H ASN 45 H ASN 45 -4.518 -0.955 14.956 284 HA ASN 45 HA ASN 45 -5.987 1.444 15.653 285 HB2 ASN 45 2HB ASN 45 -6.491 -1.501 15.913 286 HB3 ASN 45 3HB ASN 45 -7.450 -0.364 16.855 287 HD21 ASN 45 1HD2 ASN 45 -6.882 -1.743 13.782 288 HD22 ASN 45 2HD2 ASN 45 -8.133 -0.914 12.926 289 H GLY 46 H GLY 46 -3.645 -0.623 17.070 290 HA2 GLY 46 2HA GLY 46 -2.452 0.150 19.018 291 HA3 GLY 46 3HA GLY 46 -3.959 0.827 19.616 292 H LEU 47 H LEU 47 -5.198 -1.836 18.604 293 HA LEU 47 HA LEU 47 -5.220 -3.108 21.140 294 HB2 LEU 47 2HB LEU 47 -6.959 -3.098 19.175 295 HB3 LEU 47 3HB LEU 47 -6.065 -4.526 18.656 296 HG LEU 47 HG LEU 47 -8.060 -5.126 19.925 297 HD11 LEU 47 1HD1 LEU 47 -5.764 -5.747 21.730 298 HD12 LEU 47 2HD1 LEU 47 -5.774 -6.352 20.074 299 HD13 LEU 47 3HD1 LEU 47 -7.077 -6.790 21.180 300 HD21 LEU 47 1HD2 LEU 47 -7.141 -4.346 22.543 301 HD22 LEU 47 2HD2 LEU 47 -8.701 -4.064 21.770 302 HD23 LEU 47 3HD2 LEU 47 -7.370 -2.935 21.510 303 H ASP 48 H ASP 48 -3.989 -4.687 21.947 304 HA ASP 48 HA ASP 48 -2.485 -6.448 20.195 305 HB2 ASP 48 2HB ASP 48 -0.339 -5.968 21.392 306 HB3 ASP 48 3HB ASP 48 -0.912 -4.638 20.389 307 H GLY 49 H GLY 49 -2.790 -8.423 20.970 308 HA2 GLY 49 2HA GLY 49 -2.519 -8.908 23.834 309 HA3 GLY 49 3HA GLY 49 -4.074 -9.306 23.117 310 H GLU 50 H GLU 50 -3.517 -11.480 23.922 311 HA GLU 50 HA GLU 50 -1.435 -12.889 22.466 312 HB2 GLU 50 2HB GLU 50 -3.375 -13.758 24.610 313 HB3 GLU 50 3HB GLU 50 -2.237 -14.852 23.837 314 HG2 GLU 50 2HG GLU 50 -0.374 -13.661 24.711 315 HG3 GLU 50 3HG GLU 50 -1.407 -12.351 25.282 316 H TRP 51 H TRP 51 -1.752 -14.011 20.662 317 HA TRP 51 HA TRP 51 -4.439 -14.242 19.591 318 HB2 TRP 51 2HB TRP 51 -1.844 -15.138 18.326 319 HB3 TRP 51 3HB TRP 51 -3.385 -14.861 17.518 320 HD1 TRP 51 HD1 TRP 51 -0.405 -12.980 19.010 321 HE1 TRP 51 HE1 TRP 51 -0.465 -10.548 18.171 322 HE3 TRP 51 HE3 TRP 51 -4.956 -13.036 16.681 323 HZ2 TRP 51 HZ2 TRP 51 -2.210 -8.874 16.715 324 HZ3 TRP 51 HZ3 TRP 51 -5.748 -10.977 15.589 325 HH2 TRP 51 HH2 TRP 51 -4.402 -8.941 15.608 326 H THR 52 H THR 52 -5.533 -16.121 19.197 327 HA THR 52 HA THR 52 -4.345 -18.573 20.323 328 HB THR 52 HB THR 52 -6.529 -19.315 20.976 329 HG1 THR 52 HG1 THR 52 -8.344 -18.414 20.246 330 HG21 THR 52 1HG2 THR 52 -6.425 -16.402 21.739 331 HG22 THR 52 2HG2 THR 52 -5.325 -17.608 22.409 332 HG23 THR 52 3HG2 THR 52 -7.062 -17.751 22.678 333 H TYR 53 H TYR 53 -4.593 -20.504 19.224 334 HA TYR 53 HA TYR 53 -5.783 -20.335 16.536 335 HB2 TYR 53 2HB TYR 53 -3.289 -21.909 17.178 336 HB3 TYR 53 3HB TYR 53 -3.969 -21.569 15.592 337 HD1 TYR 53 HD1 TYR 53 -4.510 -18.676 15.792 338 HD2 TYR 53 HD2 TYR 53 -1.167 -20.944 17.126 339 HE1 TYR 53 HE1 TYR 53 -3.089 -16.678 15.605 340 HE2 TYR 53 HE2 TYR 53 0.264 -18.951 16.945 341 HH TYR 53 HH TYR 53 -0.781 -15.940 16.831 342 H ASP 54 H ASP 54 -7.059 -21.995 15.938 343 HA ASP 54 HA ASP 54 -7.005 -24.474 17.492 344 HB2 ASP 54 2HB ASP 54 -9.330 -22.600 17.228 345 HB3 ASP 54 3HB ASP 54 -9.614 -24.331 17.386 346 H ASP 55 H ASP 55 -6.803 -26.086 16.101 347 HA ASP 55 HA ASP 55 -7.515 -25.743 13.319 348 HB2 ASP 55 2HB ASP 55 -5.431 -26.949 14.219 349 HB3 ASP 55 3HB ASP 55 -6.516 -28.290 14.579 350 H ALA 56 H ALA 56 -8.745 -27.403 16.133 351 HA ALA 56 HA ALA 56 -10.474 -29.219 14.878 352 HB1 ALA 56 1HB ALA 56 -10.929 -27.866 17.532 353 HB2 ALA 56 2HB ALA 56 -11.580 -29.414 16.994 354 HB3 ALA 56 3HB ALA 56 -9.851 -29.239 17.288 355 H THR 57 H THR 57 -10.983 -25.873 15.932 356 HA THR 57 HA THR 57 -13.638 -25.894 14.688 357 HB THR 57 HB THR 57 -13.618 -25.021 16.944 358 HG1 THR 57 HG1 THR 57 -13.810 -22.683 15.387 359 HG21 THR 57 1HG2 THR 57 -11.850 -23.922 17.736 360 HG22 THR 57 2HG2 THR 57 -12.232 -22.568 16.672 361 HG23 THR 57 3HG2 THR 57 -11.149 -23.846 16.120 362 H LYS 58 H LYS 58 -10.434 -24.753 14.226 363 HA LYS 58 HA LYS 58 -9.438 -23.540 12.581 364 HB2 LYS 58 2HB LYS 58 -12.055 -23.889 11.107 365 HB3 LYS 58 3HB LYS 58 -10.501 -23.470 10.396 366 HG2 LYS 58 2HG LYS 58 -10.524 -25.687 9.931 367 HG3 LYS 58 3HG LYS 58 -9.785 -25.752 11.533 368 HD2 LYS 58 2HD LYS 58 -11.661 -26.618 12.513 369 HD3 LYS 58 3HD LYS 58 -12.752 -25.839 11.364 370 HE2 LYS 58 2HE LYS 58 -10.908 -28.009 10.451 371 HE3 LYS 58 3HE LYS 58 -12.407 -28.417 11.281 372 HZ1 LYS 58 1HZ LYS 58 -13.298 -26.678 9.480 373 HZ2 LYS 58 2HZ LYS 58 -13.226 -28.345 9.203 374 HZ3 LYS 58 3HZ LYS 58 -12.000 -27.337 8.619 375 H THR 59 H THR 59 -10.379 -22.025 14.601 376 HA THR 59 HA THR 59 -11.242 -19.589 13.206 377 HB THR 59 HB THR 59 -12.287 -20.298 15.946 378 HG1 THR 59 HG1 THR 59 -14.306 -20.596 14.571 379 HG21 THR 59 1HG2 THR 59 -13.929 -18.540 15.442 380 HG22 THR 59 2HG2 THR 59 -13.146 -18.262 13.886 381 HG23 THR 59 3HG2 THR 59 -12.278 -17.923 15.384 382 H PHE 60 H PHE 60 -10.508 -17.639 14.117 383 HA PHE 60 HA PHE 60 -8.271 -17.975 16.002 384 HB2 PHE 60 2HB PHE 60 -8.716 -16.078 13.713 385 HB3 PHE 60 3HB PHE 60 -7.578 -15.685 14.998 386 HD1 PHE 60 HD1 PHE 60 -5.392 -16.112 14.494 387 HD2 PHE 60 HD2 PHE 60 -8.401 -18.684 12.927 388 HE1 PHE 60 HE1 PHE 60 -3.659 -17.448 13.369 389 HE2 PHE 60 HE2 PHE 60 -6.672 -20.025 11.801 390 HZ PHE 60 HZ PHE 60 -4.298 -19.409 12.022 391 H THR 61 H THR 61 -7.951 -16.407 17.633 392 HA THR 61 HA THR 61 -10.098 -14.490 18.115 393 HB THR 61 HB THR 61 -9.319 -16.195 20.440 394 HG1 THR 61 HG1 THR 61 -11.347 -16.903 18.563 395 HG21 THR 61 1HG2 THR 61 -11.251 -14.160 19.827 396 HG22 THR 61 2HG2 THR 61 -10.853 -14.883 21.385 397 HG23 THR 61 3HG2 THR 61 -12.072 -15.629 20.353 398 H ILE 62 H ILE 62 -9.593 -13.077 20.020 399 HA ILE 62 HA ILE 62 -6.827 -12.960 20.852 400 HB ILE 62 HB ILE 62 -6.659 -11.802 18.730 401 HG12 ILE 62 2HG1 ILE 62 -6.653 -9.870 21.059 402 HG13 ILE 62 3HG1 ILE 62 -5.335 -10.951 20.617 403 HG21 ILE 62 1HG2 ILE 62 -9.099 -11.184 18.655 404 HG22 ILE 62 2HG2 ILE 62 -8.709 -9.838 19.725 405 HG23 ILE 62 3HG2 ILE 62 -7.981 -9.929 18.122 406 HD11 ILE 62 1HD1 ILE 62 -6.395 -8.666 18.970 407 HD12 ILE 62 2HD1 ILE 62 -4.876 -8.704 19.867 408 HD13 ILE 62 3HD1 ILE 62 -5.108 -9.769 18.482 409 H THR 63 H THR 63 -6.792 -12.347 22.907 410 HA THR 63 HA THR 63 -9.029 -10.718 23.922 411 HB THR 63 HB THR 63 -8.294 -11.748 26.190 412 HG1 THR 63 HG1 THR 63 -6.543 -12.940 25.797 413 HG21 THR 63 1HG2 THR 63 -9.475 -13.988 24.825 414 HG22 THR 63 2HG2 THR 63 -10.186 -12.481 24.250 415 HG23 THR 63 3HG2 THR 63 -10.209 -12.867 25.971 416 H GLU 64 H GLU 64 -8.594 -8.871 24.996 417 HA GLU 64 HA GLU 64 -5.758 -8.234 25.486 418 HB2 GLU 64 2HB GLU 64 -7.189 -6.969 23.657 419 HB3 GLU 64 3HB GLU 64 -7.779 -6.079 25.054 420 HG2 GLU 64 2HG GLU 64 -4.927 -6.313 24.132 421 HG3 GLU 64 3HG GLU 64 -5.955 -4.884 24.063 Start of MODEL 8 1 H MET 9 H MET 9 -8.435 -19.094 1.656 2 HA MET 9 HA MET 9 -10.927 -20.600 1.868 3 HB2 MET 9 2HB MET 9 -8.449 -21.105 3.441 4 HB3 MET 9 3HB MET 9 -9.989 -21.208 4.283 5 HG2 MET 9 2HG MET 9 -10.636 -22.731 2.249 6 HG3 MET 9 3HG MET 9 -8.890 -22.922 2.118 7 HE1 MET 9 1HE MET 9 -7.845 -25.337 3.833 8 HE2 MET 9 2HE MET 9 -7.422 -23.636 3.652 9 HE3 MET 9 3HE MET 9 -7.695 -24.310 5.258 10 H THR 10 H THR 10 -12.297 -19.899 3.591 11 HA THR 10 HA THR 10 -11.839 -17.099 4.289 12 HB THR 10 HB THR 10 -14.347 -18.735 4.702 13 HG1 THR 10 HG1 THR 10 -14.927 -17.296 2.771 14 HG21 THR 10 1HG2 THR 10 -14.289 -16.766 6.098 15 HG22 THR 10 2HG2 THR 10 -15.419 -16.493 4.771 16 HG23 THR 10 3HG2 THR 10 -13.815 -15.762 4.728 17 H PHE 11 H PHE 11 -11.563 -16.367 6.327 18 HA PHE 11 HA PHE 11 -11.750 -18.324 8.518 19 HB2 PHE 11 2HB PHE 11 -9.498 -16.556 7.725 20 HB3 PHE 11 3HB PHE 11 -9.808 -16.721 9.450 21 HD1 PHE 11 HD1 PHE 11 -10.082 -19.180 10.304 22 HD2 PHE 11 HD2 PHE 11 -8.130 -18.083 6.684 23 HE1 PHE 11 HE1 PHE 11 -8.857 -21.314 10.321 24 HE2 PHE 11 HE2 PHE 11 -6.903 -20.215 6.695 25 HZ PHE 11 HZ PHE 11 -7.266 -21.834 8.515 26 H LYS 12 H LYS 12 -11.709 -17.152 10.710 27 HA LYS 12 HA LYS 12 -13.087 -14.571 10.601 28 HB2 LYS 12 2HB LYS 12 -14.681 -16.625 10.744 29 HB3 LYS 12 3HB LYS 12 -14.131 -16.727 12.412 30 HG2 LYS 12 2HG LYS 12 -14.782 -14.178 12.431 31 HG3 LYS 12 3HG LYS 12 -15.818 -14.670 11.089 32 HD2 LYS 12 2HD LYS 12 -15.807 -16.222 13.651 33 HD3 LYS 12 3HD LYS 12 -16.755 -14.740 13.505 34 HE2 LYS 12 2HE LYS 12 -16.958 -17.033 11.563 35 HE3 LYS 12 3HE LYS 12 -17.980 -16.886 12.993 36 HZ1 LYS 12 1HZ LYS 12 -17.974 -14.463 11.527 37 HZ2 LYS 12 2HZ LYS 12 -19.279 -15.460 11.931 38 HZ3 LYS 12 3HZ LYS 12 -18.404 -15.747 10.513 39 H LEU 13 H LEU 13 -12.070 -13.213 11.907 40 HA LEU 13 HA LEU 13 -10.678 -14.299 14.265 41 HB2 LEU 13 2HB LEU 13 -9.421 -13.099 12.330 42 HB3 LEU 13 3HB LEU 13 -10.064 -11.631 13.062 43 HG LEU 13 HG LEU 13 -8.531 -13.564 14.747 44 HD11 LEU 13 1HD1 LEU 13 -6.448 -12.698 14.109 45 HD12 LEU 13 2HD1 LEU 13 -7.179 -11.402 13.162 46 HD13 LEU 13 3HD1 LEU 13 -7.270 -13.069 12.593 47 HD21 LEU 13 1HD2 LEU 13 -9.689 -10.991 15.054 48 HD22 LEU 13 2HD2 LEU 13 -7.939 -10.825 15.191 49 HD23 LEU 13 3HD2 LEU 13 -8.803 -11.950 16.240 50 H ILE 14 H ILE 14 -11.987 -14.037 15.968 51 HA ILE 14 HA ILE 14 -13.819 -11.850 16.207 52 HB ILE 14 HB ILE 14 -12.952 -13.800 18.344 53 HG12 ILE 14 2HG1 ILE 14 -13.829 -14.989 16.397 54 HG13 ILE 14 3HG1 ILE 14 -14.976 -15.069 17.729 55 HG21 ILE 14 1HG2 ILE 14 -15.206 -11.836 18.117 56 HG22 ILE 14 2HG2 ILE 14 -15.311 -13.239 19.178 57 HG23 ILE 14 3HG2 ILE 14 -14.042 -12.041 19.425 58 HD11 ILE 14 1HD1 ILE 14 -16.042 -14.674 15.549 59 HD12 ILE 14 2HD1 ILE 14 -16.344 -13.375 16.704 60 HD13 ILE 14 3HD1 ILE 14 -15.159 -13.154 15.416 61 H ILE 15 H ILE 15 -13.440 -9.889 16.988 62 HA ILE 15 HA ILE 15 -10.878 -9.352 18.284 63 HB ILE 15 HB ILE 15 -12.970 -7.377 17.367 64 HG12 ILE 15 2HG1 ILE 15 -10.420 -8.210 15.969 65 HG13 ILE 15 3HG1 ILE 15 -12.027 -8.773 15.522 66 HG21 ILE 15 1HG2 ILE 15 -10.461 -6.192 17.349 67 HG22 ILE 15 2HG2 ILE 15 -11.742 -5.931 18.531 68 HG23 ILE 15 3HG2 ILE 15 -10.491 -7.135 18.838 69 HD11 ILE 15 1HD1 ILE 15 -11.697 -7.067 14.030 70 HD12 ILE 15 2HD1 ILE 15 -12.548 -6.228 15.328 71 HD13 ILE 15 3HD1 ILE 15 -10.796 -6.085 15.185 72 H ASN 16 H ASN 16 -10.888 -9.648 20.421 73 HA ASN 16 HA ASN 16 -13.083 -8.437 21.965 74 HB2 ASN 16 2HB ASN 16 -11.841 -11.149 22.225 75 HB3 ASN 16 3HB ASN 16 -12.445 -10.340 23.668 76 HD21 ASN 16 1HD2 ASN 16 -13.462 -12.745 22.674 77 HD22 ASN 16 2HD2 ASN 16 -15.092 -12.480 22.166 78 H GLY 17 H GLY 17 -11.715 -6.565 22.130 79 HA2 GLY 17 2HA GLY 17 -9.731 -6.871 24.277 80 HA3 GLY 17 3HA GLY 17 -9.274 -6.017 22.811 81 H LYS 18 H LYS 18 -8.857 -4.148 24.082 82 HA LYS 18 HA LYS 18 -11.167 -2.876 25.344 83 HB2 LYS 18 2HB LYS 18 -8.245 -2.102 25.298 84 HB3 LYS 18 3HB LYS 18 -9.501 -1.212 26.147 85 HG2 LYS 18 2HG LYS 18 -8.898 -4.103 26.699 86 HG3 LYS 18 3HG LYS 18 -8.103 -2.772 27.543 87 HD2 LYS 18 2HD LYS 18 -11.091 -2.916 27.404 88 HD3 LYS 18 3HD LYS 18 -10.203 -3.865 28.599 89 HE2 LYS 18 2HE LYS 18 -9.581 -0.966 28.321 90 HE3 LYS 18 3HE LYS 18 -11.070 -1.434 29.141 91 HZ1 LYS 18 1HZ LYS 18 -8.770 -2.923 30.008 92 HZ2 LYS 18 2HZ LYS 18 -9.946 -2.123 30.922 93 HZ3 LYS 18 3HZ LYS 18 -8.631 -1.261 30.299 94 H THR 19 H THR 19 -8.577 -1.929 23.079 95 HA THR 19 HA THR 19 -9.871 0.429 22.209 96 HB THR 19 HB THR 19 -7.824 -1.151 20.648 97 HG1 THR 19 HG1 THR 19 -6.282 0.048 21.812 98 HG21 THR 19 1HG2 THR 19 -7.334 1.547 20.349 99 HG22 THR 19 2HG2 THR 19 -9.095 1.456 20.347 100 HG23 THR 19 3HG2 THR 19 -8.160 0.513 19.186 101 H LEU 20 H LEU 20 -9.577 -2.787 20.713 102 HA LEU 20 HA LEU 20 -11.720 -2.041 18.844 103 HB2 LEU 20 2HB LEU 20 -9.580 -4.149 18.717 104 HB3 LEU 20 3HB LEU 20 -10.950 -4.116 17.611 105 HG LEU 20 HG LEU 20 -8.816 -2.001 17.877 106 HD11 LEU 20 1HD1 LEU 20 -9.179 -4.351 16.152 107 HD12 LEU 20 2HD1 LEU 20 -7.713 -3.472 16.586 108 HD13 LEU 20 3HD1 LEU 20 -8.765 -2.856 15.312 109 HD21 LEU 20 1HD2 LEU 20 -11.442 -2.057 16.505 110 HD22 LEU 20 2HD2 LEU 20 -10.084 -1.349 15.631 111 HD23 LEU 20 3HD2 LEU 20 -10.553 -0.703 17.204 112 H LYS 21 H LYS 21 -13.488 -3.419 18.523 113 HA LYS 21 HA LYS 21 -13.792 -5.788 20.152 114 HB2 LYS 21 2HB LYS 21 -15.968 -4.893 21.128 115 HB3 LYS 21 3HB LYS 21 -14.478 -4.270 21.823 116 HG2 LYS 21 2HG LYS 21 -14.752 -2.182 20.876 117 HG3 LYS 21 3HG LYS 21 -15.830 -2.784 19.614 118 HD2 LYS 21 2HD LYS 21 -17.284 -1.670 21.039 119 HD3 LYS 21 3HD LYS 21 -17.422 -3.345 21.579 120 HE2 LYS 21 2HE LYS 21 -16.024 -2.947 23.452 121 HE3 LYS 21 3HE LYS 21 -15.523 -1.375 22.832 122 HZ1 LYS 21 1HZ LYS 21 -17.552 -0.428 23.361 123 HZ2 LYS 21 2HZ LYS 21 -17.282 -1.461 24.673 124 HZ3 LYS 21 3HZ LYS 21 -18.357 -1.914 23.448 125 H GLY 22 H GLY 22 -15.131 -7.236 19.215 126 HA2 GLY 22 2HA GLY 22 -17.395 -7.275 17.970 127 HA3 GLY 22 3HA GLY 22 -16.503 -6.358 16.765 128 H GLU 23 H GLU 23 -16.559 -7.817 15.114 129 HA GLU 23 HA GLU 23 -14.674 -9.950 15.193 130 HB2 GLU 23 2HB GLU 23 -16.394 -11.730 14.583 131 HB3 GLU 23 3HB GLU 23 -16.314 -11.252 16.273 132 HG2 GLU 23 2HG GLU 23 -18.246 -9.766 15.913 133 HG3 GLU 23 3HG GLU 23 -18.349 -10.344 14.251 134 H THR 24 H THR 24 -14.030 -10.542 13.167 135 HA THR 24 HA THR 24 -15.652 -9.761 10.868 136 HB THR 24 HB THR 24 -14.191 -7.814 11.346 137 HG1 THR 24 HG1 THR 24 -13.131 -7.943 9.145 138 HG21 THR 24 1HG2 THR 24 -11.737 -9.018 10.383 139 HG22 THR 24 2HG2 THR 24 -12.269 -9.748 11.897 140 HG23 THR 24 3HG2 THR 24 -12.012 -8.006 11.800 141 H THR 25 H THR 25 -14.554 -10.498 8.785 142 HA THR 25 HA THR 25 -13.217 -13.080 9.265 143 HB THR 25 HB THR 25 -14.256 -13.864 7.145 144 HG1 THR 25 HG1 THR 25 -16.185 -12.477 6.567 145 HG21 THR 25 1HG2 THR 25 -15.346 -14.564 9.124 146 HG22 THR 25 2HG2 THR 25 -16.623 -13.965 8.065 147 HG23 THR 25 3HG2 THR 25 -16.040 -12.966 9.397 148 H THR 26 H THR 26 -11.719 -13.800 7.643 149 HA THR 26 HA THR 26 -10.708 -11.724 5.837 150 HB THR 26 HB THR 26 -8.972 -13.289 7.758 151 HG1 THR 26 HG1 THR 26 -9.145 -10.474 7.595 152 HG21 THR 26 1HG2 THR 26 -7.472 -13.068 6.080 153 HG22 THR 26 2HG2 THR 26 -7.355 -11.410 6.670 154 HG23 THR 26 3HG2 THR 26 -8.388 -11.786 5.290 155 H GLU 27 H GLU 27 -10.060 -12.469 3.895 156 HA GLU 27 HA GLU 27 -10.229 -15.362 3.458 157 HB2 GLU 27 2HB GLU 27 -10.282 -13.068 1.491 158 HB3 GLU 27 3HB GLU 27 -10.410 -14.767 1.058 159 HG2 GLU 27 2HG GLU 27 -12.608 -14.100 1.062 160 HG3 GLU 27 3HG GLU 27 -12.427 -14.774 2.680 161 H ALA 28 H ALA 28 -8.271 -16.230 3.881 162 HA ALA 28 HA ALA 28 -5.975 -15.134 2.392 163 HB1 ALA 28 1HB ALA 28 -6.232 -15.385 5.174 164 HB2 ALA 28 2HB ALA 28 -5.124 -16.659 4.666 165 HB3 ALA 28 3HB ALA 28 -4.782 -14.978 4.256 166 H VAL 29 H VAL 29 -4.140 -16.979 2.505 167 HA VAL 29 HA VAL 29 -5.329 -19.237 1.104 168 HB VAL 29 HB VAL 29 -3.035 -19.821 0.473 169 HG11 VAL 29 1HG1 VAL 29 -2.818 -17.018 -0.175 170 HG12 VAL 29 2HG1 VAL 29 -3.186 -18.389 -1.223 171 HG13 VAL 29 3HG1 VAL 29 -4.480 -17.581 -0.339 172 HG21 VAL 29 1HG2 VAL 29 -1.161 -18.385 1.096 173 HG22 VAL 29 2HG2 VAL 29 -2.229 -17.418 2.113 174 HG23 VAL 29 3HG2 VAL 29 -1.909 -19.103 2.522 175 H ASP 30 H ASP 30 -3.672 -18.516 4.087 176 HA ASP 30 HA ASP 30 -4.238 -21.223 5.022 177 HB2 ASP 30 2HB ASP 30 -1.503 -19.940 5.127 178 HB3 ASP 30 3HB ASP 30 -1.956 -21.364 6.058 179 H ALA 31 H ALA 31 -3.953 -21.409 7.409 180 HA ALA 31 HA ALA 31 -5.374 -19.417 8.750 181 HB1 ALA 31 1HB ALA 31 -4.581 -21.968 9.332 182 HB2 ALA 31 2HB ALA 31 -3.639 -21.013 10.477 183 HB3 ALA 31 3HB ALA 31 -5.397 -20.873 10.449 184 H ALA 32 H ALA 32 -1.909 -19.932 8.411 185 HA ALA 32 HA ALA 32 -1.142 -17.961 10.327 186 HB1 ALA 32 1HB ALA 32 0.692 -19.209 10.071 187 HB2 ALA 32 2HB ALA 32 0.193 -19.774 8.477 188 HB3 ALA 32 3HB ALA 32 1.011 -18.221 8.645 189 H THR 33 H THR 33 -2.048 -17.892 6.986 190 HA THR 33 HA THR 33 -0.862 -15.334 6.416 191 HB THR 33 HB THR 33 -3.100 -16.468 4.782 192 HG1 THR 33 HG1 THR 33 -0.488 -17.528 5.071 193 HG21 THR 33 1HG2 THR 33 -0.910 -14.561 4.461 194 HG22 THR 33 2HG2 THR 33 -2.417 -14.716 3.557 195 HG23 THR 33 3HG2 THR 33 -1.029 -15.719 3.137 196 H ALA 34 H ALA 34 -4.148 -16.520 7.059 197 HA ALA 34 HA ALA 34 -5.538 -14.136 6.744 198 HB1 ALA 34 1HB ALA 34 -6.360 -15.967 8.935 199 HB2 ALA 34 2HB ALA 34 -7.327 -15.207 7.672 200 HB3 ALA 34 3HB ALA 34 -6.316 -16.600 7.290 201 H GLU 35 H GLU 35 -4.346 -15.520 9.814 202 HA GLU 35 HA GLU 35 -4.979 -13.380 11.457 203 HB2 GLU 35 2HB GLU 35 -4.299 -15.453 12.434 204 HB3 GLU 35 3HB GLU 35 -2.737 -15.390 11.629 205 HG2 GLU 35 2HG GLU 35 -3.420 -13.166 13.461 206 HG3 GLU 35 3HG GLU 35 -3.055 -14.736 14.176 207 H LYS 36 H LYS 36 -2.223 -13.847 9.341 208 HA LYS 36 HA LYS 36 -0.638 -11.719 10.318 209 HB2 LYS 36 2HB LYS 36 0.160 -13.590 8.849 210 HB3 LYS 36 3HB LYS 36 -0.678 -12.823 7.505 211 HG2 LYS 36 2HG LYS 36 0.743 -10.749 8.126 212 HG3 LYS 36 3HG LYS 36 1.754 -11.915 8.983 213 HD2 LYS 36 2HD LYS 36 0.967 -12.242 6.096 214 HD3 LYS 36 3HD LYS 36 2.428 -11.390 6.601 215 HE2 LYS 36 2HE LYS 36 1.872 -14.154 7.600 216 HE3 LYS 36 3HE LYS 36 2.550 -13.916 5.991 217 HZ1 LYS 36 1HZ LYS 36 4.225 -14.259 7.768 218 HZ2 LYS 36 2HZ LYS 36 3.745 -12.794 8.464 219 HZ3 LYS 36 3HZ LYS 36 4.427 -12.812 6.916 220 H VAL 37 H VAL 37 -3.360 -11.855 8.166 221 HA VAL 37 HA VAL 37 -2.984 -9.350 6.889 222 HB VAL 37 HB VAL 37 -5.550 -10.876 7.362 223 HG11 VAL 37 1HG1 VAL 37 -6.408 -9.577 5.456 224 HG12 VAL 37 2HG1 VAL 37 -5.985 -8.549 6.827 225 HG13 VAL 37 3HG1 VAL 37 -4.910 -8.647 5.431 226 HG21 VAL 37 1HG2 VAL 37 -4.928 -12.280 5.756 227 HG22 VAL 37 2HG2 VAL 37 -4.550 -10.943 4.669 228 HG23 VAL 37 3HG2 VAL 37 -3.326 -11.541 5.789 229 H PHE 38 H PHE 38 -4.778 -10.359 9.771 230 HA PHE 38 HA PHE 38 -5.662 -7.648 10.291 231 HB2 PHE 38 2HB PHE 38 -7.215 -9.424 10.806 232 HB3 PHE 38 3HB PHE 38 -6.025 -10.226 11.826 233 HD1 PHE 38 HD1 PHE 38 -5.544 -9.424 14.048 234 HD2 PHE 38 HD2 PHE 38 -8.382 -7.444 11.569 235 HE1 PHE 38 HE1 PHE 38 -6.388 -8.194 16.004 236 HE2 PHE 38 HE2 PHE 38 -9.230 -6.209 13.521 237 HZ PHE 38 HZ PHE 38 -8.232 -6.583 15.742 238 H LYS 39 H LYS 39 -2.983 -9.604 11.027 239 HA LYS 39 HA LYS 39 -2.223 -8.842 13.566 240 HB2 LYS 39 2HB LYS 39 -0.778 -9.690 11.117 241 HB3 LYS 39 3HB LYS 39 0.184 -8.925 12.375 242 HG2 LYS 39 2HG LYS 39 -1.671 -11.128 13.125 243 HG3 LYS 39 3HG LYS 39 -0.150 -11.520 12.321 244 HD2 LYS 39 2HD LYS 39 -0.044 -9.628 14.604 245 HD3 LYS 39 3HD LYS 39 -0.358 -11.326 14.969 246 HE2 LYS 39 2HE LYS 39 1.964 -11.156 15.076 247 HE3 LYS 39 3HE LYS 39 1.667 -11.812 13.466 248 HZ1 LYS 39 1HZ LYS 39 2.060 -8.921 13.998 249 HZ2 LYS 39 2HZ LYS 39 2.038 -9.698 12.496 250 HZ3 LYS 39 3HZ LYS 39 3.319 -9.965 13.567 251 H GLN 40 H GLN 40 -2.012 -7.039 10.565 252 HA GLN 40 HA GLN 40 -0.475 -4.901 11.761 253 HB2 GLN 40 2HB GLN 40 -0.160 -5.504 9.394 254 HB3 GLN 40 3HB GLN 40 -1.829 -5.062 9.063 255 HG2 GLN 40 2HG GLN 40 -1.184 -2.750 9.967 256 HG3 GLN 40 3HG GLN 40 0.481 -3.291 9.760 257 HE21 GLN 40 1HE2 GLN 40 -2.564 -3.360 7.931 258 HE22 GLN 40 2HE2 GLN 40 -1.870 -2.861 6.429 259 H TYR 41 H TYR 41 -3.804 -5.665 11.152 260 HA TYR 41 HA TYR 41 -4.858 -3.043 11.332 261 HB2 TYR 41 2HB TYR 41 -5.918 -5.393 10.597 262 HB3 TYR 41 3HB TYR 41 -6.507 -5.338 12.255 263 HD1 TYR 41 HD1 TYR 41 -6.112 -2.769 9.561 264 HD2 TYR 41 HD2 TYR 41 -8.715 -4.691 12.326 265 HE1 TYR 41 HE1 TYR 41 -7.946 -1.290 8.855 266 HE2 TYR 41 HE2 TYR 41 -10.556 -3.217 11.625 267 HH TYR 41 HH TYR 41 -10.128 -0.853 9.019 268 H ALA 42 H ALA 42 -4.271 -5.583 13.716 269 HA ALA 42 HA ALA 42 -5.505 -4.289 15.902 270 HB1 ALA 42 1HB ALA 42 -4.141 -6.718 15.446 271 HB2 ALA 42 2HB ALA 42 -3.346 -5.919 16.802 272 HB3 ALA 42 3HB ALA 42 -5.078 -6.241 16.861 273 H ASN 43 H ASN 43 -2.210 -4.228 14.632 274 HA ASN 43 HA ASN 43 -1.105 -2.718 16.771 275 HB2 ASN 43 2HB ASN 43 0.379 -4.008 15.399 276 HB3 ASN 43 3HB ASN 43 -0.174 -3.197 13.937 277 HD21 ASN 43 1HD2 ASN 43 0.545 -1.129 13.479 278 HD22 ASN 43 2HD2 ASN 43 1.896 -0.420 14.290 279 H ASP 44 H ASP 44 -2.541 -1.883 13.664 280 HA ASP 44 HA ASP 44 -1.895 0.893 13.806 281 HB2 ASP 44 2HB ASP 44 -3.682 -0.786 12.088 282 HB3 ASP 44 3HB ASP 44 -3.845 0.967 12.046 283 H ASN 45 H ASN 45 -4.449 -1.089 15.053 284 HA ASN 45 HA ASN 45 -6.131 1.208 15.672 285 HB2 ASN 45 2HB ASN 45 -6.471 -1.758 15.773 286 HB3 ASN 45 3HB ASN 45 -7.484 -0.763 16.814 287 HD21 ASN 45 1HD2 ASN 45 -6.942 -1.922 13.667 288 HD22 ASN 45 2HD2 ASN 45 -8.229 -1.079 12.880 289 H GLY 46 H GLY 46 -3.728 -0.752 17.140 290 HA2 GLY 46 2HA GLY 46 -2.655 0.029 19.148 291 HA3 GLY 46 3HA GLY 46 -4.212 0.632 19.695 292 H LEU 47 H LEU 47 -5.294 -2.065 18.596 293 HA LEU 47 HA LEU 47 -5.293 -3.386 21.125 294 HB2 LEU 47 2HB LEU 47 -7.058 -3.339 19.169 295 HB3 LEU 47 3HB LEU 47 -6.166 -4.761 18.630 296 HG LEU 47 HG LEU 47 -8.156 -5.365 19.917 297 HD11 LEU 47 1HD1 LEU 47 -7.158 -7.080 21.048 298 HD12 LEU 47 2HD1 LEU 47 -5.899 -6.051 21.728 299 HD13 LEU 47 3HD1 LEU 47 -5.810 -6.556 20.040 300 HD21 LEU 47 1HD2 LEU 47 -7.370 -3.216 21.551 301 HD22 LEU 47 2HD2 LEU 47 -7.238 -4.670 22.539 302 HD23 LEU 47 3HD2 LEU 47 -8.766 -4.276 21.751 303 H ASP 48 H ASP 48 -4.016 -4.961 21.861 304 HA ASP 48 HA ASP 48 -2.689 -6.835 20.173 305 HB2 ASP 48 2HB ASP 48 -1.213 -4.437 21.118 306 HB3 ASP 48 3HB ASP 48 -0.379 -5.983 21.243 307 H GLY 49 H GLY 49 -3.194 -8.551 21.392 308 HA2 GLY 49 2HA GLY 49 -2.244 -8.546 24.182 309 HA3 GLY 49 3HA GLY 49 -3.864 -9.110 23.802 310 H GLU 50 H GLU 50 -4.059 -11.234 23.667 311 HA GLU 50 HA GLU 50 -1.690 -12.804 22.887 312 HB2 GLU 50 2HB GLU 50 -3.991 -13.573 24.690 313 HB3 GLU 50 3HB GLU 50 -2.704 -14.662 24.192 314 HG2 GLU 50 2HG GLU 50 -2.051 -12.093 25.565 315 HG3 GLU 50 3HG GLU 50 -2.579 -13.495 26.496 316 H TRP 51 H TRP 51 -1.824 -14.067 21.142 317 HA TRP 51 HA TRP 51 -4.333 -14.125 19.671 318 HB2 TRP 51 2HB TRP 51 -1.571 -15.092 18.901 319 HB3 TRP 51 3HB TRP 51 -2.971 -15.060 17.834 320 HD1 TRP 51 HD1 TRP 51 -0.146 -12.937 19.043 321 HE1 TRP 51 HE1 TRP 51 -0.342 -10.569 18.055 322 HE3 TRP 51 HE3 TRP 51 -4.886 -13.238 17.149 323 HZ2 TRP 51 HZ2 TRP 51 -2.254 -9.031 16.657 324 HZ3 TRP 51 HZ3 TRP 51 -5.824 -11.274 16.002 325 HH2 TRP 51 HH2 TRP 51 -4.534 -9.215 15.762 326 H THR 52 H THR 52 -5.556 -15.901 19.311 327 HA THR 52 HA THR 52 -4.663 -18.413 20.570 328 HB THR 52 HB THR 52 -7.070 -18.963 20.849 329 HG1 THR 52 HG1 THR 52 -7.729 -17.401 19.155 330 HG21 THR 52 1HG2 THR 52 -6.530 -18.200 22.887 331 HG22 THR 52 2HG2 THR 52 -7.367 -16.720 22.418 332 HG23 THR 52 3HG2 THR 52 -5.618 -16.842 22.230 333 H TYR 53 H TYR 53 -4.667 -20.246 19.392 334 HA TYR 53 HA TYR 53 -5.848 -20.141 16.695 335 HB2 TYR 53 2HB TYR 53 -3.303 -21.614 17.369 336 HB3 TYR 53 3HB TYR 53 -3.970 -21.284 15.775 337 HD1 TYR 53 HD1 TYR 53 -4.626 -18.412 16.008 338 HD2 TYR 53 HD2 TYR 53 -1.215 -20.573 17.349 339 HE1 TYR 53 HE1 TYR 53 -3.277 -16.361 15.864 340 HE2 TYR 53 HE2 TYR 53 0.142 -18.527 17.211 341 HH TYR 53 HH TYR 53 -0.140 -16.231 15.694 342 H ASP 54 H ASP 54 -6.987 -21.892 16.042 343 HA ASP 54 HA ASP 54 -6.847 -24.365 17.583 344 HB2 ASP 54 2HB ASP 54 -9.402 -22.794 17.192 345 HB3 ASP 54 3HB ASP 54 -9.325 -24.444 17.803 346 H ASP 55 H ASP 55 -6.570 -25.920 16.141 347 HA ASP 55 HA ASP 55 -7.308 -25.565 13.382 348 HB2 ASP 55 2HB ASP 55 -5.459 -27.160 14.811 349 HB3 ASP 55 3HB ASP 55 -6.544 -28.268 13.975 350 H ALA 56 H ALA 56 -8.626 -27.147 16.173 351 HA ALA 56 HA ALA 56 -10.325 -28.990 14.879 352 HB1 ALA 56 1HB ALA 56 -11.187 -29.442 16.949 353 HB2 ALA 56 2HB ALA 56 -9.654 -28.699 17.407 354 HB3 ALA 56 3HB ALA 56 -11.142 -27.754 17.460 355 H THR 57 H THR 57 -11.014 -25.758 16.218 356 HA THR 57 HA THR 57 -13.595 -25.725 14.873 357 HB THR 57 HB THR 57 -13.562 -24.873 17.137 358 HG1 THR 57 HG1 THR 57 -14.933 -23.385 16.533 359 HG21 THR 57 1HG2 THR 57 -11.472 -22.959 16.101 360 HG22 THR 57 2HG2 THR 57 -11.288 -24.162 17.377 361 HG23 THR 57 3HG2 THR 57 -12.317 -22.753 17.635 362 H LYS 58 H LYS 58 -10.396 -24.569 14.405 363 HA LYS 58 HA LYS 58 -9.413 -23.330 12.772 364 HB2 LYS 58 2HB LYS 58 -12.025 -23.696 11.293 365 HB3 LYS 58 3HB LYS 58 -10.473 -23.262 10.587 366 HG2 LYS 58 2HG LYS 58 -10.846 -25.834 12.080 367 HG3 LYS 58 3HG LYS 58 -11.262 -25.683 10.371 368 HD2 LYS 58 2HD LYS 58 -8.561 -24.907 11.443 369 HD3 LYS 58 3HD LYS 58 -8.932 -26.552 10.920 370 HE2 LYS 58 2HE LYS 58 -9.442 -24.192 9.140 371 HE3 LYS 58 3HE LYS 58 -7.849 -24.941 9.230 372 HZ1 LYS 58 1HZ LYS 58 -9.029 -27.092 8.716 373 HZ2 LYS 58 2HZ LYS 58 -8.945 -25.973 7.452 374 HZ3 LYS 58 3HZ LYS 58 -10.385 -26.162 8.317 375 H THR 59 H THR 59 -10.304 -21.814 14.779 376 HA THR 59 HA THR 59 -11.248 -19.398 13.403 377 HB THR 59 HB THR 59 -12.201 -20.152 16.167 378 HG1 THR 59 HG1 THR 59 -13.743 -20.257 13.783 379 HG21 THR 59 1HG2 THR 59 -12.202 -17.765 15.718 380 HG22 THR 59 2HG2 THR 59 -13.859 -18.370 15.745 381 HG23 THR 59 3HG2 THR 59 -13.069 -18.026 14.206 382 H PHE 60 H PHE 60 -10.502 -17.436 14.268 383 HA PHE 60 HA PHE 60 -8.253 -17.723 16.150 384 HB2 PHE 60 2HB PHE 60 -8.631 -15.892 13.785 385 HB3 PHE 60 3HB PHE 60 -7.429 -15.570 15.030 386 HD1 PHE 60 HD1 PHE 60 -5.294 -16.263 14.588 387 HD2 PHE 60 HD2 PHE 60 -8.549 -18.442 12.922 388 HE1 PHE 60 HE1 PHE 60 -3.706 -17.751 13.441 389 HE2 PHE 60 HE2 PHE 60 -6.967 -19.934 11.773 390 HZ PHE 60 HZ PHE 60 -4.541 -19.591 12.032 391 H THR 61 H THR 61 -7.906 -16.055 17.679 392 HA THR 61 HA THR 61 -9.906 -13.982 17.987 393 HB THR 61 HB THR 61 -9.542 -15.728 20.387 394 HG1 THR 61 HG1 THR 61 -10.388 -17.308 19.226 395 HG21 THR 61 1HG2 THR 61 -12.183 -14.814 20.072 396 HG22 THR 61 2HG2 THR 61 -11.138 -13.470 19.613 397 HG23 THR 61 3HG2 THR 61 -10.965 -14.219 21.201 398 H ILE 62 H ILE 62 -9.415 -12.572 19.884 399 HA ILE 62 HA ILE 62 -6.620 -12.705 20.752 400 HB ILE 62 HB ILE 62 -6.585 -11.232 18.822 401 HG12 ILE 62 2HG1 ILE 62 -6.466 -9.489 21.280 402 HG13 ILE 62 3HG1 ILE 62 -5.260 -10.726 20.943 403 HG21 ILE 62 1HG2 ILE 62 -8.102 -9.018 19.824 404 HG22 ILE 62 2HG2 ILE 62 -8.271 -9.887 18.299 405 HG23 ILE 62 3HG2 ILE 62 -9.123 -10.454 19.734 406 HD11 ILE 62 1HD1 ILE 62 -5.887 -8.652 18.893 407 HD12 ILE 62 2HD1 ILE 62 -4.816 -8.280 20.244 408 HD13 ILE 62 3HD1 ILE 62 -4.411 -9.586 19.131 409 H THR 63 H THR 63 -6.419 -12.329 22.859 410 HA THR 63 HA THR 63 -8.692 -11.116 24.277 411 HB THR 63 HB THR 63 -7.303 -12.157 26.300 412 HG1 THR 63 HG1 THR 63 -6.581 -14.303 25.370 413 HG21 THR 63 1HG2 THR 63 -8.617 -14.382 25.681 414 HG22 THR 63 2HG2 THR 63 -9.342 -13.320 24.474 415 HG23 THR 63 3HG2 THR 63 -9.457 -12.917 26.187 416 H GLU 64 H GLU 64 -8.461 -9.202 25.242 417 HA GLU 64 HA GLU 64 -5.873 -8.314 26.197 418 HB2 GLU 64 2HB GLU 64 -5.843 -7.596 23.852 419 HB3 GLU 64 3HB GLU 64 -7.375 -6.764 24.079 420 HG2 GLU 64 2HG GLU 64 -5.848 -5.050 24.225 421 HG3 GLU 64 3HG GLU 64 -6.125 -5.454 25.918 Start of MODEL 9 1 H MET 9 H MET 9 -8.391 -19.070 1.924 2 HA MET 9 HA MET 9 -10.978 -20.440 2.182 3 HB2 MET 9 2HB MET 9 -8.838 -21.783 2.893 4 HB3 MET 9 3HB MET 9 -8.904 -20.756 4.319 5 HG2 MET 9 2HG MET 9 -10.881 -21.674 5.057 6 HG3 MET 9 3HG MET 9 -11.345 -22.227 3.451 7 HE1 MET 9 1HE MET 9 -11.270 -23.473 6.409 8 HE2 MET 9 2HE MET 9 -11.893 -24.697 5.303 9 HE3 MET 9 3HE MET 9 -10.539 -25.078 6.369 10 H THR 10 H THR 10 -12.427 -19.414 3.433 11 HA THR 10 HA THR 10 -11.706 -16.829 4.515 12 HB THR 10 HB THR 10 -14.409 -18.171 4.638 13 HG1 THR 10 HG1 THR 10 -13.415 -16.411 2.626 14 HG21 THR 10 1HG2 THR 10 -15.167 -15.767 4.630 15 HG22 THR 10 2HG2 THR 10 -13.479 -15.311 4.867 16 HG23 THR 10 3HG2 THR 10 -14.311 -16.278 6.084 17 H PHE 11 H PHE 11 -11.289 -16.386 6.580 18 HA PHE 11 HA PHE 11 -11.852 -18.470 8.583 19 HB2 PHE 11 2HB PHE 11 -9.554 -16.634 8.164 20 HB3 PHE 11 3HB PHE 11 -10.011 -16.974 9.831 21 HD1 PHE 11 HD1 PHE 11 -8.088 -18.047 7.097 22 HD2 PHE 11 HD2 PHE 11 -10.337 -19.507 10.403 23 HE1 PHE 11 HE1 PHE 11 -6.849 -20.171 6.998 24 HE2 PHE 11 HE2 PHE 11 -9.101 -21.633 10.309 25 HZ PHE 11 HZ PHE 11 -7.354 -21.966 8.606 26 H LYS 12 H LYS 12 -11.985 -17.493 10.876 27 HA LYS 12 HA LYS 12 -13.554 -15.004 10.813 28 HB2 LYS 12 2HB LYS 12 -14.912 -17.180 11.022 29 HB3 LYS 12 3HB LYS 12 -14.227 -17.301 12.637 30 HG2 LYS 12 2HG LYS 12 -16.227 -16.255 13.053 31 HG3 LYS 12 3HG LYS 12 -15.131 -14.878 12.911 32 HD2 LYS 12 2HD LYS 12 -16.009 -14.213 10.908 33 HD3 LYS 12 3HD LYS 12 -16.473 -15.851 10.443 34 HE2 LYS 12 2HE LYS 12 -17.832 -14.332 12.657 35 HE3 LYS 12 3HE LYS 12 -18.363 -14.249 10.977 36 HZ1 LYS 12 1HZ LYS 12 -19.424 -15.964 12.572 37 HZ2 LYS 12 2HZ LYS 12 -18.028 -16.869 12.272 38 HZ3 LYS 12 3HZ LYS 12 -19.043 -16.431 10.992 39 H LEU 13 H LEU 13 -12.148 -13.626 11.751 40 HA LEU 13 HA LEU 13 -10.769 -14.457 14.200 41 HB2 LEU 13 2HB LEU 13 -9.701 -13.265 12.117 42 HB3 LEU 13 3HB LEU 13 -10.334 -11.813 12.890 43 HG LEU 13 HG LEU 13 -8.627 -13.681 14.474 44 HD11 LEU 13 1HD1 LEU 13 -6.929 -11.711 13.468 45 HD12 LEU 13 2HD1 LEU 13 -7.787 -12.347 12.066 46 HD13 LEU 13 3HD1 LEU 13 -6.887 -13.439 13.119 47 HD21 LEU 13 1HD2 LEU 13 -7.894 -11.362 15.333 48 HD22 LEU 13 2HD2 LEU 13 -9.487 -11.969 15.785 49 HD23 LEU 13 3HD2 LEU 13 -9.331 -10.771 14.499 50 H ILE 14 H ILE 14 -12.086 -14.197 15.909 51 HA ILE 14 HA ILE 14 -13.981 -12.061 16.108 52 HB ILE 14 HB ILE 14 -13.010 -13.958 18.250 53 HG12 ILE 14 2HG1 ILE 14 -14.010 -15.161 16.381 54 HG13 ILE 14 3HG1 ILE 14 -15.095 -15.196 17.766 55 HG21 ILE 14 1HG2 ILE 14 -15.366 -12.085 18.136 56 HG22 ILE 14 2HG2 ILE 14 -15.189 -13.372 19.328 57 HG23 ILE 14 3HG2 ILE 14 -14.019 -12.053 19.275 58 HD11 ILE 14 1HD1 ILE 14 -15.352 -13.658 15.215 59 HD12 ILE 14 2HD1 ILE 14 -16.491 -14.778 15.962 60 HD13 ILE 14 3HD1 ILE 14 -16.235 -13.182 16.666 61 H ILE 15 H ILE 15 -13.685 -10.075 16.876 62 HA ILE 15 HA ILE 15 -11.088 -9.346 17.956 63 HB ILE 15 HB ILE 15 -13.469 -7.609 17.292 64 HG12 ILE 15 2HG1 ILE 15 -10.883 -7.828 15.759 65 HG13 ILE 15 3HG1 ILE 15 -12.264 -8.859 15.402 66 HG21 ILE 15 1HG2 ILE 15 -10.627 -6.854 17.963 67 HG22 ILE 15 2HG2 ILE 15 -11.899 -5.741 17.460 68 HG23 ILE 15 3HG2 ILE 15 -12.038 -6.604 18.991 69 HD11 ILE 15 1HD1 ILE 15 -11.845 -5.993 14.864 70 HD12 ILE 15 2HD1 ILE 15 -12.709 -7.215 13.931 71 HD13 ILE 15 3HD1 ILE 15 -13.473 -6.478 15.339 72 H ASN 16 H ASN 16 -10.694 -9.287 20.058 73 HA ASN 16 HA ASN 16 -12.844 -8.515 21.897 74 HB2 ASN 16 2HB ASN 16 -12.319 -11.104 21.683 75 HB3 ASN 16 3HB ASN 16 -10.983 -10.689 22.753 76 HD21 ASN 16 1HD2 ASN 16 -14.480 -10.261 22.400 77 HD22 ASN 16 2HD2 ASN 16 -14.837 -10.369 24.087 78 H GLY 17 H GLY 17 -11.963 -6.537 22.354 79 HA2 GLY 17 2HA GLY 17 -9.734 -6.517 24.172 80 HA3 GLY 17 3HA GLY 17 -9.361 -5.772 22.625 81 H LYS 18 H LYS 18 -8.996 -3.878 24.044 82 HA LYS 18 HA LYS 18 -11.404 -2.598 25.064 83 HB2 LYS 18 2HB LYS 18 -8.533 -1.647 25.096 84 HB3 LYS 18 3HB LYS 18 -9.877 -0.894 25.945 85 HG2 LYS 18 2HG LYS 18 -9.075 -3.739 26.456 86 HG3 LYS 18 3HG LYS 18 -8.320 -2.383 27.295 87 HD2 LYS 18 2HD LYS 18 -11.292 -2.528 27.229 88 HD3 LYS 18 3HD LYS 18 -10.424 -3.633 28.296 89 HE2 LYS 18 2HE LYS 18 -9.158 -1.441 28.999 90 HE3 LYS 18 3HE LYS 18 -10.608 -0.657 28.374 91 HZ1 LYS 18 1HZ LYS 18 -10.436 -1.408 30.863 92 HZ2 LYS 18 2HZ LYS 18 -10.935 -2.896 30.234 93 HZ3 LYS 18 3HZ LYS 18 -11.899 -1.523 30.021 94 H THR 19 H THR 19 -8.713 -1.612 22.936 95 HA THR 19 HA THR 19 -10.080 0.625 21.871 96 HB THR 19 HB THR 19 -7.857 -0.828 20.449 97 HG1 THR 19 HG1 THR 19 -7.618 1.027 22.603 98 HG21 THR 19 1HG2 THR 19 -7.365 1.842 20.281 99 HG22 THR 19 2HG2 THR 19 -9.128 1.817 20.304 100 HG23 THR 19 3HG2 THR 19 -8.249 0.912 19.072 101 H LEU 20 H LEU 20 -9.497 -2.639 20.587 102 HA LEU 20 HA LEU 20 -11.491 -2.101 18.491 103 HB2 LEU 20 2HB LEU 20 -9.064 -3.793 18.639 104 HB3 LEU 20 3HB LEU 20 -10.419 -4.417 17.699 105 HG LEU 20 HG LEU 20 -9.016 -1.785 17.231 106 HD11 LEU 20 1HD1 LEU 20 -8.563 -3.161 15.008 107 HD12 LEU 20 2HD1 LEU 20 -8.669 -4.516 16.131 108 HD13 LEU 20 3HD1 LEU 20 -7.483 -3.240 16.399 109 HD21 LEU 20 1HD2 LEU 20 -10.440 -2.395 14.980 110 HD22 LEU 20 2HD2 LEU 20 -10.946 -1.258 16.229 111 HD23 LEU 20 3HD2 LEU 20 -11.529 -2.922 16.263 112 H LYS 21 H LYS 21 -13.407 -3.067 18.597 113 HA LYS 21 HA LYS 21 -13.677 -5.615 20.005 114 HB2 LYS 21 2HB LYS 21 -15.672 -4.808 21.219 115 HB3 LYS 21 3HB LYS 21 -14.205 -3.967 21.705 116 HG2 LYS 21 2HG LYS 21 -14.813 -2.046 20.382 117 HG3 LYS 21 3HG LYS 21 -16.228 -2.893 19.750 118 HD2 LYS 21 2HD LYS 21 -16.997 -3.106 22.160 119 HD3 LYS 21 3HD LYS 21 -15.723 -1.954 22.566 120 HE2 LYS 21 2HE LYS 21 -18.010 -1.493 20.653 121 HE3 LYS 21 3HE LYS 21 -17.851 -0.814 22.272 122 HZ1 LYS 21 1HZ LYS 21 -15.589 0.030 21.238 123 HZ2 LYS 21 2HZ LYS 21 -17.028 0.903 21.074 124 HZ3 LYS 21 3HZ LYS 21 -16.482 -0.072 19.804 125 H GLY 22 H GLY 22 -15.089 -6.983 19.055 126 HA2 GLY 22 2HA GLY 22 -17.415 -6.799 17.866 127 HA3 GLY 22 3HA GLY 22 -16.434 -6.011 16.639 128 H GLU 23 H GLU 23 -16.885 -7.588 15.090 129 HA GLU 23 HA GLU 23 -15.199 -9.933 15.277 130 HB2 GLU 23 2HB GLU 23 -16.916 -11.555 14.853 131 HB3 GLU 23 3HB GLU 23 -17.375 -10.637 16.280 132 HG2 GLU 23 2HG GLU 23 -18.964 -9.359 15.021 133 HG3 GLU 23 3HG GLU 23 -18.421 -10.095 13.513 134 H THR 24 H THR 24 -14.945 -11.028 13.223 135 HA THR 24 HA THR 24 -16.133 -10.139 10.828 136 HB THR 24 HB THR 24 -14.823 -8.080 11.349 137 HG1 THR 24 HG1 THR 24 -15.183 -8.320 9.208 138 HG21 THR 24 1HG2 THR 24 -12.838 -9.832 12.101 139 HG22 THR 24 2HG2 THR 24 -12.631 -8.102 11.829 140 HG23 THR 24 3HG2 THR 24 -12.273 -9.247 10.537 141 H THR 25 H THR 25 -14.711 -10.820 8.872 142 HA THR 25 HA THR 25 -13.477 -13.404 9.558 143 HB THR 25 HB THR 25 -13.946 -13.985 7.136 144 HG1 THR 25 HG1 THR 25 -14.797 -12.480 5.927 145 HG21 THR 25 1HG2 THR 25 -16.282 -13.383 8.955 146 HG22 THR 25 2HG2 THR 25 -15.332 -14.869 8.918 147 HG23 THR 25 3HG2 THR 25 -16.345 -14.436 7.541 148 H THR 26 H THR 26 -11.722 -14.140 8.131 149 HA THR 26 HA THR 26 -10.149 -11.912 7.020 150 HB THR 26 HB THR 26 -8.868 -14.229 8.457 151 HG1 THR 26 HG1 THR 26 -9.916 -13.272 10.111 152 HG21 THR 26 1HG2 THR 26 -7.231 -13.190 7.199 153 HG22 THR 26 2HG2 THR 26 -7.111 -12.308 8.722 154 HG23 THR 26 3HG2 THR 26 -7.973 -11.598 7.358 155 H GLU 27 H GLU 27 -10.320 -12.307 4.884 156 HA GLU 27 HA GLU 27 -10.242 -14.991 3.828 157 HB2 GLU 27 2HB GLU 27 -10.520 -12.255 2.626 158 HB3 GLU 27 3HB GLU 27 -10.185 -13.644 1.602 159 HG2 GLU 27 2HG GLU 27 -12.212 -14.740 2.487 160 HG3 GLU 27 3HG GLU 27 -12.562 -13.280 3.411 161 H ALA 28 H ALA 28 -8.293 -15.950 4.037 162 HA ALA 28 HA ALA 28 -6.036 -14.671 2.661 163 HB1 ALA 28 1HB ALA 28 -5.048 -16.224 4.851 164 HB2 ALA 28 2HB ALA 28 -4.803 -14.513 4.498 165 HB3 ALA 28 3HB ALA 28 -6.197 -15.028 5.448 166 H VAL 29 H VAL 29 -4.182 -16.381 2.463 167 HA VAL 29 HA VAL 29 -5.220 -18.533 0.925 168 HB VAL 29 HB VAL 29 -3.072 -17.479 0.389 169 HG11 VAL 29 1HG1 VAL 29 -2.558 -17.607 3.065 170 HG12 VAL 29 2HG1 VAL 29 -1.544 -18.909 2.437 171 HG13 VAL 29 3HG1 VAL 29 -1.357 -17.267 1.819 172 HG21 VAL 29 1HG2 VAL 29 -2.193 -20.218 1.030 173 HG22 VAL 29 2HG2 VAL 29 -3.707 -20.089 0.135 174 HG23 VAL 29 3HG2 VAL 29 -2.234 -19.370 -0.515 175 H ASP 30 H ASP 30 -4.014 -18.236 4.200 176 HA ASP 30 HA ASP 30 -5.149 -20.787 4.896 177 HB2 ASP 30 2HB ASP 30 -3.207 -21.942 5.525 178 HB3 ASP 30 3HB ASP 30 -2.783 -21.230 3.971 179 H ALA 31 H ALA 31 -4.398 -21.268 7.323 180 HA ALA 31 HA ALA 31 -5.437 -19.155 8.873 181 HB1 ALA 31 1HB ALA 31 -5.780 -20.939 10.156 182 HB2 ALA 31 2HB ALA 31 -4.540 -21.870 9.316 183 HB3 ALA 31 3HB ALA 31 -4.092 -20.805 10.648 184 H ALA 32 H ALA 32 -2.145 -20.217 8.202 185 HA ALA 32 HA ALA 32 -0.819 -18.646 10.117 186 HB1 ALA 32 1HB ALA 32 0.033 -20.551 8.525 187 HB2 ALA 32 2HB ALA 32 0.459 -19.194 7.482 188 HB3 ALA 32 3HB ALA 32 1.132 -19.301 9.109 189 H THR 33 H THR 33 -2.256 -17.848 7.071 190 HA THR 33 HA THR 33 -0.875 -15.297 6.879 191 HB THR 33 HB THR 33 -3.076 -16.437 5.146 192 HG1 THR 33 HG1 THR 33 -0.890 -17.477 5.193 193 HG21 THR 33 1HG2 THR 33 -2.468 -14.697 3.557 194 HG22 THR 33 2HG2 THR 33 -1.243 -14.083 4.668 195 HG23 THR 33 3HG2 THR 33 -2.953 -13.976 5.090 196 H ALA 34 H ALA 34 -4.072 -16.554 7.660 197 HA ALA 34 HA ALA 34 -5.571 -14.239 7.693 198 HB1 ALA 34 1HB ALA 34 -6.276 -16.666 8.157 199 HB2 ALA 34 2HB ALA 34 -5.880 -16.309 9.838 200 HB3 ALA 34 3HB ALA 34 -7.123 -15.374 9.008 201 H GLU 35 H GLU 35 -3.184 -15.353 9.998 202 HA GLU 35 HA GLU 35 -3.859 -13.504 12.060 203 HB2 GLU 35 2HB GLU 35 -2.666 -15.481 12.677 204 HB3 GLU 35 3HB GLU 35 -1.388 -15.148 11.518 205 HG2 GLU 35 2HG GLU 35 -0.372 -13.623 12.857 206 HG3 GLU 35 3HG GLU 35 -1.879 -13.122 13.620 207 H LYS 36 H LYS 36 -1.191 -13.607 9.700 208 HA LYS 36 HA LYS 36 -0.026 -11.164 10.347 209 HB2 LYS 36 2HB LYS 36 -0.175 -12.434 7.607 210 HB3 LYS 36 3HB LYS 36 0.998 -11.234 8.134 211 HG2 LYS 36 2HG LYS 36 1.782 -12.876 9.848 212 HG3 LYS 36 3HG LYS 36 0.729 -14.073 9.092 213 HD2 LYS 36 2HD LYS 36 2.688 -12.558 7.419 214 HD3 LYS 36 3HD LYS 36 3.245 -13.914 8.404 215 HE2 LYS 36 2HE LYS 36 2.735 -15.040 6.491 216 HE3 LYS 36 3HE LYS 36 1.159 -15.100 7.279 217 HZ1 LYS 36 1HZ LYS 36 1.146 -14.406 4.890 218 HZ2 LYS 36 2HZ LYS 36 1.922 -12.978 5.357 219 HZ3 LYS 36 3HZ LYS 36 0.378 -13.331 5.947 220 H VAL 37 H VAL 37 -2.932 -11.863 8.607 221 HA VAL 37 HA VAL 37 -3.187 -9.467 7.142 222 HB VAL 37 HB VAL 37 -5.363 -11.256 8.234 223 HG11 VAL 37 1HG1 VAL 37 -6.326 -10.124 5.941 224 HG12 VAL 37 2HG1 VAL 37 -6.700 -9.581 7.578 225 HG13 VAL 37 3HG1 VAL 37 -5.418 -8.792 6.658 226 HG21 VAL 37 1HG2 VAL 37 -4.793 -11.379 5.385 227 HG22 VAL 37 2HG2 VAL 37 -3.416 -11.862 6.376 228 HG23 VAL 37 3HG2 VAL 37 -4.967 -12.683 6.561 229 H PHE 38 H PHE 38 -4.883 -10.407 10.141 230 HA PHE 38 HA PHE 38 -5.703 -7.718 10.666 231 HB2 PHE 38 2HB PHE 38 -7.094 -9.569 11.400 232 HB3 PHE 38 3HB PHE 38 -5.783 -10.200 12.392 233 HD1 PHE 38 HD1 PHE 38 -5.234 -9.203 14.511 234 HD2 PHE 38 HD2 PHE 38 -8.334 -7.595 12.077 235 HE1 PHE 38 HE1 PHE 38 -6.036 -7.872 16.418 236 HE2 PHE 38 HE2 PHE 38 -9.141 -6.261 13.981 237 HZ PHE 38 HZ PHE 38 -7.991 -6.398 16.155 238 H LYS 39 H LYS 39 -2.866 -9.484 11.248 239 HA LYS 39 HA LYS 39 -1.928 -8.558 13.671 240 HB2 LYS 39 2HB LYS 39 -0.658 -9.439 11.137 241 HB3 LYS 39 3HB LYS 39 0.364 -8.563 12.268 242 HG2 LYS 39 2HG LYS 39 -1.281 -10.839 13.261 243 HG3 LYS 39 3HG LYS 39 0.200 -11.165 12.359 244 HD2 LYS 39 2HD LYS 39 0.337 -9.171 14.554 245 HD3 LYS 39 3HD LYS 39 0.182 -10.871 15.002 246 HE2 LYS 39 2HE LYS 39 2.149 -11.399 13.636 247 HE3 LYS 39 3HE LYS 39 2.303 -9.696 13.207 248 HZ1 LYS 39 1HZ LYS 39 2.278 -10.484 16.040 249 HZ2 LYS 39 2HZ LYS 39 2.995 -9.137 15.311 250 HZ3 LYS 39 3HZ LYS 39 3.699 -10.666 15.139 251 H GLN 40 H GLN 40 -2.002 -6.914 10.559 252 HA GLN 40 HA GLN 40 -0.539 -4.628 11.545 253 HB2 GLN 40 2HB GLN 40 -0.235 -5.168 9.236 254 HB3 GLN 40 3HB GLN 40 -1.970 -5.191 8.950 255 HG2 GLN 40 2HG GLN 40 -0.771 -2.667 9.936 256 HG3 GLN 40 3HG GLN 40 -0.448 -3.139 8.268 257 HE21 GLN 40 1HE2 GLN 40 -2.366 -1.278 10.056 258 HE22 GLN 40 2HE2 GLN 40 -3.806 -1.285 9.101 259 H TYR 41 H TYR 41 -3.841 -5.625 11.271 260 HA TYR 41 HA TYR 41 -5.026 -3.040 11.401 261 HB2 TYR 41 2HB TYR 41 -5.993 -5.480 10.812 262 HB3 TYR 41 3HB TYR 41 -6.511 -5.366 12.490 263 HD1 TYR 41 HD1 TYR 41 -6.355 -2.929 9.654 264 HD2 TYR 41 HD2 TYR 41 -8.740 -4.808 12.635 265 HE1 TYR 41 HE1 TYR 41 -8.283 -1.569 8.960 266 HE2 TYR 41 HE2 TYR 41 -10.675 -3.454 11.948 267 HH TYR 41 HH TYR 41 -10.429 -1.116 9.283 268 H ALA 42 H ALA 42 -4.187 -5.484 13.812 269 HA ALA 42 HA ALA 42 -5.332 -4.129 16.026 270 HB1 ALA 42 1HB ALA 42 -3.987 -6.579 15.569 271 HB2 ALA 42 2HB ALA 42 -3.154 -5.744 16.882 272 HB3 ALA 42 3HB ALA 42 -4.883 -6.068 17.000 273 H ASN 43 H ASN 43 -2.317 -3.831 14.334 274 HA ASN 43 HA ASN 43 -0.869 -2.505 16.394 275 HB2 ASN 43 2HB ASN 43 0.084 -3.664 14.325 276 HB3 ASN 43 3HB ASN 43 -0.367 -2.213 13.434 277 HD21 ASN 43 1HD2 ASN 43 1.697 -3.536 15.906 278 HD22 ASN 43 2HD2 ASN 43 2.831 -2.233 15.936 279 H ASP 44 H ASP 44 -2.250 -1.235 13.357 280 HA ASP 44 HA ASP 44 -1.912 1.467 13.943 281 HB2 ASP 44 2HB ASP 44 -3.250 1.914 12.084 282 HB3 ASP 44 3HB ASP 44 -2.627 0.303 11.735 283 H ASN 45 H ASN 45 -4.467 -0.759 14.849 284 HA ASN 45 HA ASN 45 -6.185 1.293 15.901 285 HB2 ASN 45 2HB ASN 45 -6.234 -1.690 15.783 286 HB3 ASN 45 3HB ASN 45 -7.242 -0.889 16.985 287 HD21 ASN 45 1HD2 ASN 45 -6.951 -1.838 13.768 288 HD22 ASN 45 2HD2 ASN 45 -8.345 -1.031 13.142 289 H GLY 46 H GLY 46 -3.502 -0.512 17.047 290 HA2 GLY 46 2HA GLY 46 -2.322 0.055 19.017 291 HA3 GLY 46 3HA GLY 46 -3.797 0.754 19.669 292 H LEU 47 H LEU 47 -5.124 -1.857 18.636 293 HA LEU 47 HA LEU 47 -5.170 -3.172 21.133 294 HB2 LEU 47 2HB LEU 47 -6.849 -3.157 19.109 295 HB3 LEU 47 3HB LEU 47 -5.942 -4.590 18.629 296 HG LEU 47 HG LEU 47 -7.983 -5.170 19.841 297 HD11 LEU 47 1HD1 LEU 47 -5.799 -5.827 21.751 298 HD12 LEU 47 2HD1 LEU 47 -5.656 -6.369 20.079 299 HD13 LEU 47 3HD1 LEU 47 -7.041 -6.865 21.052 300 HD21 LEU 47 1HD2 LEU 47 -7.361 -2.976 21.419 301 HD22 LEU 47 2HD2 LEU 47 -7.090 -4.362 22.474 302 HD23 LEU 47 3HD2 LEU 47 -8.656 -4.140 21.696 303 H ASP 48 H ASP 48 -3.865 -4.653 21.980 304 HA ASP 48 HA ASP 48 -2.354 -6.449 20.265 305 HB2 ASP 48 2HB ASP 48 -0.216 -5.928 21.436 306 HB3 ASP 48 3HB ASP 48 -0.813 -4.597 20.448 307 H GLY 49 H GLY 49 -2.881 -8.373 21.064 308 HA2 GLY 49 2HA GLY 49 -2.533 -8.829 23.939 309 HA3 GLY 49 3HA GLY 49 -4.086 -9.231 23.222 310 H GLU 50 H GLU 50 -3.767 -11.419 23.853 311 HA GLU 50 HA GLU 50 -1.575 -12.873 22.605 312 HB2 GLU 50 2HB GLU 50 -2.186 -13.378 24.936 313 HB3 GLU 50 3HB GLU 50 -3.796 -13.849 24.411 314 HG2 GLU 50 2HG GLU 50 -2.280 -15.755 24.848 315 HG3 GLU 50 3HG GLU 50 -2.935 -15.723 23.212 316 H TRP 51 H TRP 51 -1.783 -14.350 20.982 317 HA TRP 51 HA TRP 51 -4.277 -14.239 19.470 318 HB2 TRP 51 2HB TRP 51 -1.522 -15.269 18.776 319 HB3 TRP 51 3HB TRP 51 -2.910 -15.400 17.699 320 HD1 TRP 51 HD1 TRP 51 -0.727 -12.689 19.379 321 HE1 TRP 51 HE1 TRP 51 -0.802 -10.578 17.908 322 HE3 TRP 51 HE3 TRP 51 -4.151 -14.238 15.913 323 HZ2 TRP 51 HZ2 TRP 51 -2.139 -9.687 15.586 324 HZ3 TRP 51 HZ3 TRP 51 -4.775 -12.695 14.100 325 HH2 TRP 51 HH2 TRP 51 -3.788 -10.468 13.942 326 H THR 52 H THR 52 -5.440 -16.056 18.835 327 HA THR 52 HA THR 52 -4.820 -18.522 20.328 328 HB THR 52 HB THR 52 -7.142 -18.962 20.618 329 HG1 THR 52 HG1 THR 52 -8.144 -18.313 18.795 330 HG21 THR 52 1HG2 THR 52 -5.908 -16.807 21.781 331 HG22 THR 52 2HG2 THR 52 -7.461 -17.482 22.278 332 HG23 THR 52 3HG2 THR 52 -7.408 -16.103 21.180 333 H TYR 53 H TYR 53 -5.027 -20.477 19.286 334 HA TYR 53 HA TYR 53 -5.918 -20.480 16.500 335 HB2 TYR 53 2HB TYR 53 -3.481 -20.122 16.437 336 HB3 TYR 53 3HB TYR 53 -3.244 -21.578 17.396 337 HD1 TYR 53 HD1 TYR 53 -2.103 -23.041 15.986 338 HD2 TYR 53 HD2 TYR 53 -5.535 -20.999 14.516 339 HE1 TYR 53 HE1 TYR 53 -2.015 -24.386 13.929 340 HE2 TYR 53 HE2 TYR 53 -5.456 -22.338 12.455 341 HH TYR 53 HH TYR 53 -3.047 -24.903 12.021 342 H ASP 54 H ASP 54 -7.068 -22.240 15.990 343 HA ASP 54 HA ASP 54 -6.718 -24.710 17.498 344 HB2 ASP 54 2HB ASP 54 -9.371 -23.268 17.308 345 HB3 ASP 54 3HB ASP 54 -9.152 -24.901 17.929 346 H ASP 55 H ASP 55 -6.591 -26.306 16.080 347 HA ASP 55 HA ASP 55 -7.460 -25.948 13.358 348 HB2 ASP 55 2HB ASP 55 -5.616 -27.639 14.752 349 HB3 ASP 55 3HB ASP 55 -6.713 -28.647 13.814 350 H ALA 56 H ALA 56 -8.645 -27.521 16.218 351 HA ALA 56 HA ALA 56 -10.411 -29.367 15.059 352 HB1 ALA 56 1HB ALA 56 -11.142 -29.764 17.169 353 HB2 ALA 56 2HB ALA 56 -9.673 -28.875 17.574 354 HB3 ALA 56 3HB ALA 56 -11.231 -28.051 17.580 355 H THR 57 H THR 57 -10.957 -26.021 16.135 356 HA THR 57 HA THR 57 -13.599 -26.049 14.881 357 HB THR 57 HB THR 57 -13.527 -25.116 17.117 358 HG1 THR 57 HG1 THR 57 -14.885 -24.114 15.463 359 HG21 THR 57 1HG2 THR 57 -12.292 -22.877 17.382 360 HG22 THR 57 2HG2 THR 57 -11.371 -23.371 15.961 361 HG23 THR 57 3HG2 THR 57 -11.332 -24.355 17.424 362 H LYS 58 H LYS 58 -10.398 -24.930 14.339 363 HA LYS 58 HA LYS 58 -9.425 -23.748 12.657 364 HB2 LYS 58 2HB LYS 58 -12.045 -24.204 11.219 365 HB3 LYS 58 3HB LYS 58 -10.517 -23.753 10.476 366 HG2 LYS 58 2HG LYS 58 -10.517 -25.993 10.069 367 HG3 LYS 58 3HG LYS 58 -9.683 -25.967 11.625 368 HD2 LYS 58 2HD LYS 58 -11.570 -26.712 12.782 369 HD3 LYS 58 3HD LYS 58 -12.664 -26.264 11.471 370 HE2 LYS 58 2HE LYS 58 -10.574 -28.415 11.209 371 HE3 LYS 58 3HE LYS 58 -12.219 -28.736 11.755 372 HZ1 LYS 58 1HZ LYS 58 -12.729 -27.388 9.542 373 HZ2 LYS 58 2HZ LYS 58 -12.526 -29.066 9.558 374 HZ3 LYS 58 3HZ LYS 58 -11.243 -28.064 9.096 375 H THR 59 H THR 59 -10.339 -22.163 14.615 376 HA THR 59 HA THR 59 -11.280 -19.802 13.145 377 HB THR 59 HB THR 59 -12.221 -20.381 15.949 378 HG1 THR 59 HG1 THR 59 -13.793 -20.763 13.619 379 HG21 THR 59 1HG2 THR 59 -14.038 -18.766 15.158 380 HG22 THR 59 2HG2 THR 59 -12.968 -18.412 13.802 381 HG23 THR 59 3HG2 THR 59 -12.437 -18.090 15.452 382 H PHE 60 H PHE 60 -10.543 -17.805 13.938 383 HA PHE 60 HA PHE 60 -8.260 -18.022 15.785 384 HB2 PHE 60 2HB PHE 60 -8.737 -16.363 13.343 385 HB3 PHE 60 3HB PHE 60 -7.682 -15.736 14.606 386 HD1 PHE 60 HD1 PHE 60 -8.204 -19.011 12.886 387 HD2 PHE 60 HD2 PHE 60 -5.452 -16.051 14.221 388 HE1 PHE 60 HE1 PHE 60 -6.341 -20.339 11.980 389 HE2 PHE 60 HE2 PHE 60 -3.585 -17.373 13.317 390 HZ PHE 60 HZ PHE 60 -4.028 -19.520 12.195 391 H THR 61 H THR 61 -7.914 -16.349 17.308 392 HA THR 61 HA THR 61 -9.978 -14.347 17.688 393 HB THR 61 HB THR 61 -9.439 -16.032 20.092 394 HG1 THR 61 HG1 THR 61 -10.120 -17.653 18.795 395 HG21 THR 61 1HG2 THR 61 -10.899 -14.543 20.889 396 HG22 THR 61 2HG2 THR 61 -12.131 -15.328 19.899 397 HG23 THR 61 3HG2 THR 61 -11.253 -13.933 19.273 398 H ILE 62 H ILE 62 -9.470 -12.945 19.613 399 HA ILE 62 HA ILE 62 -6.717 -12.989 20.519 400 HB ILE 62 HB ILE 62 -6.459 -11.803 18.423 401 HG12 ILE 62 2HG1 ILE 62 -6.426 -9.870 20.751 402 HG13 ILE 62 3HG1 ILE 62 -5.164 -11.042 20.390 403 HG21 ILE 62 1HG2 ILE 62 -9.023 -10.824 18.983 404 HG22 ILE 62 2HG2 ILE 62 -7.957 -9.419 18.987 405 HG23 ILE 62 3HG2 ILE 62 -8.023 -10.473 17.574 406 HD11 ILE 62 1HD1 ILE 62 -5.299 -8.424 19.516 407 HD12 ILE 62 2HD1 ILE 62 -4.220 -9.683 18.917 408 HD13 ILE 62 3HD1 ILE 62 -5.754 -9.379 18.105 409 H THR 63 H THR 63 -6.696 -12.423 22.586 410 HA THR 63 HA THR 63 -8.887 -10.736 23.603 411 HB THR 63 HB THR 63 -8.002 -11.835 25.865 412 HG1 THR 63 HG1 THR 63 -7.619 -14.151 25.212 413 HG21 THR 63 1HG2 THR 63 -10.206 -12.261 25.613 414 HG22 THR 63 2HG2 THR 63 -9.645 -13.846 25.077 415 HG23 THR 63 3HG2 THR 63 -10.047 -12.604 23.891 416 H GLU 64 H GLU 64 -8.428 -8.949 24.795 417 HA GLU 64 HA GLU 64 -5.578 -8.344 25.244 418 HB2 GLU 64 2HB GLU 64 -6.836 -7.015 23.434 419 HB3 GLU 64 3HB GLU 64 -7.683 -6.247 24.770 420 HG2 GLU 64 2HG GLU 64 -4.690 -6.286 24.543 421 HG3 GLU 64 3HG GLU 64 -5.692 -5.010 23.855 Start of MODEL 10 1 H MET 9 H MET 9 -8.723 -18.905 1.320 2 HA MET 9 HA MET 9 -10.842 -20.743 2.141 3 HB2 MET 9 2HB MET 9 -8.786 -21.942 2.645 4 HB3 MET 9 3HB MET 9 -8.151 -20.544 3.503 5 HG2 MET 9 2HG MET 9 -8.953 -22.248 5.040 6 HG3 MET 9 3HG MET 9 -9.882 -20.758 5.185 7 HE1 MET 9 1HE MET 9 -11.237 -24.858 4.748 8 HE2 MET 9 2HE MET 9 -9.828 -24.073 5.463 9 HE3 MET 9 3HE MET 9 -11.416 -23.888 6.210 10 H THR 10 H THR 10 -12.296 -19.758 3.386 11 HA THR 10 HA THR 10 -11.764 -17.051 4.295 12 HB THR 10 HB THR 10 -14.352 -18.526 4.712 13 HG1 THR 10 HG1 THR 10 -14.747 -18.450 2.635 14 HG21 THR 10 1HG2 THR 10 -13.897 -16.248 5.721 15 HG22 THR 10 2HG2 THR 10 -15.331 -16.364 4.701 16 HG23 THR 10 3HG2 THR 10 -13.859 -15.624 4.073 17 H PHE 11 H PHE 11 -11.559 -16.407 6.372 18 HA PHE 11 HA PHE 11 -11.872 -18.450 8.470 19 HB2 PHE 11 2HB PHE 11 -9.575 -16.667 7.855 20 HB3 PHE 11 3HB PHE 11 -9.962 -16.911 9.556 21 HD1 PHE 11 HD1 PHE 11 -8.235 -18.188 6.756 22 HD2 PHE 11 HD2 PHE 11 -10.227 -19.373 10.325 23 HE1 PHE 11 HE1 PHE 11 -7.022 -20.328 6.718 24 HE2 PHE 11 HE2 PHE 11 -9.017 -21.514 10.293 25 HZ PHE 11 HZ PHE 11 -7.412 -21.995 8.488 26 H LYS 12 H LYS 12 -11.879 -17.345 10.714 27 HA LYS 12 HA LYS 12 -13.324 -14.792 10.622 28 HB2 LYS 12 2HB LYS 12 -14.781 -16.981 10.824 29 HB3 LYS 12 3HB LYS 12 -14.266 -16.916 12.503 30 HG2 LYS 12 2HG LYS 12 -15.156 -14.588 12.609 31 HG3 LYS 12 3HG LYS 12 -15.814 -14.828 10.989 32 HD2 LYS 12 2HD LYS 12 -17.341 -16.429 11.713 33 HD3 LYS 12 3HD LYS 12 -16.439 -16.757 13.195 34 HE2 LYS 12 2HE LYS 12 -18.222 -15.519 13.982 35 HE3 LYS 12 3HE LYS 12 -16.986 -14.282 13.763 36 HZ1 LYS 12 1HZ LYS 12 -18.624 -14.754 11.435 37 HZ2 LYS 12 2HZ LYS 12 -18.155 -13.295 12.151 38 HZ3 LYS 12 3HZ LYS 12 -19.478 -14.151 12.765 39 H LEU 13 H LEU 13 -12.383 -13.383 11.933 40 HA LEU 13 HA LEU 13 -10.883 -14.404 14.253 41 HB2 LEU 13 2HB LEU 13 -9.746 -13.104 12.304 42 HB3 LEU 13 3HB LEU 13 -10.458 -11.688 13.076 43 HG LEU 13 HG LEU 13 -8.772 -13.552 14.693 44 HD11 LEU 13 1HD1 LEU 13 -7.868 -12.033 12.396 45 HD12 LEU 13 2HD1 LEU 13 -7.010 -13.222 13.376 46 HD13 LEU 13 3HD1 LEU 13 -7.064 -11.534 13.884 47 HD21 LEU 13 1HD2 LEU 13 -8.369 -11.619 16.009 48 HD22 LEU 13 2HD2 LEU 13 -10.100 -11.652 15.672 49 HD23 LEU 13 3HD2 LEU 13 -9.048 -10.555 14.776 50 H ILE 14 H ILE 14 -11.955 -14.131 16.088 51 HA ILE 14 HA ILE 14 -14.021 -12.148 16.366 52 HB ILE 14 HB ILE 14 -12.849 -13.991 18.452 53 HG12 ILE 14 2HG1 ILE 14 -13.828 -15.236 16.587 54 HG13 ILE 14 3HG1 ILE 14 -14.832 -15.386 18.025 55 HG21 ILE 14 1HG2 ILE 14 -13.950 -12.489 19.758 56 HG22 ILE 14 2HG2 ILE 14 -15.053 -12.010 18.469 57 HG23 ILE 14 3HG2 ILE 14 -15.312 -13.525 19.333 58 HD11 ILE 14 1HD1 ILE 14 -16.338 -13.671 17.123 59 HD12 ILE 14 2HD1 ILE 14 -15.348 -13.594 15.666 60 HD13 ILE 14 3HD1 ILE 14 -16.207 -15.080 16.071 61 H ILE 15 H ILE 15 -13.706 -10.113 16.948 62 HA ILE 15 HA ILE 15 -11.166 -9.314 18.120 63 HB ILE 15 HB ILE 15 -13.497 -7.624 17.206 64 HG12 ILE 15 2HG1 ILE 15 -10.821 -7.962 15.855 65 HG13 ILE 15 3HG1 ILE 15 -12.206 -8.976 15.463 66 HG21 ILE 15 1HG2 ILE 15 -10.699 -6.825 18.001 67 HG22 ILE 15 2HG2 ILE 15 -11.936 -5.747 17.353 68 HG23 ILE 15 3HG2 ILE 15 -12.170 -6.515 18.924 69 HD11 ILE 15 1HD1 ILE 15 -13.305 -7.297 14.398 70 HD12 ILE 15 2HD1 ILE 15 -12.569 -6.035 15.386 71 HD13 ILE 15 3HD1 ILE 15 -11.641 -6.799 14.097 72 H ASN 16 H ASN 16 -11.008 -9.514 20.261 73 HA ASN 16 HA ASN 16 -13.155 -8.381 21.913 74 HB2 ASN 16 2HB ASN 16 -11.942 -11.106 22.086 75 HB3 ASN 16 3HB ASN 16 -12.407 -10.295 23.579 76 HD21 ASN 16 1HD2 ASN 16 -13.995 -11.850 23.969 77 HD22 ASN 16 2HD2 ASN 16 -15.484 -11.866 23.094 78 H GLY 17 H GLY 17 -11.870 -6.508 22.144 79 HA2 GLY 17 2HA GLY 17 -9.750 -6.828 24.140 80 HA3 GLY 17 3HA GLY 17 -9.357 -5.974 22.656 81 H LYS 18 H LYS 18 -8.860 -4.146 24.008 82 HA LYS 18 HA LYS 18 -11.107 -2.858 25.345 83 HB2 LYS 18 2HB LYS 18 -8.208 -2.021 25.136 84 HB3 LYS 18 3HB LYS 18 -9.431 -1.230 26.122 85 HG2 LYS 18 2HG LYS 18 -8.455 -4.059 26.458 86 HG3 LYS 18 3HG LYS 18 -8.006 -2.677 27.460 87 HD2 LYS 18 2HD LYS 18 -10.571 -2.440 27.816 88 HD3 LYS 18 3HD LYS 18 -10.621 -4.121 27.283 89 HE2 LYS 18 2HE LYS 18 -10.450 -4.294 29.596 90 HE3 LYS 18 3HE LYS 18 -8.788 -4.508 29.049 91 HZ1 LYS 18 1HZ LYS 18 -8.676 -3.012 30.825 92 HZ2 LYS 18 2HZ LYS 18 -10.009 -2.118 30.293 93 HZ3 LYS 18 3HZ LYS 18 -8.545 -2.037 29.450 94 H THR 19 H THR 19 -8.619 -1.861 22.989 95 HA THR 19 HA THR 19 -10.077 0.444 22.165 96 HB THR 19 HB THR 19 -7.814 -0.935 20.709 97 HG1 THR 19 HG1 THR 19 -7.747 1.162 22.643 98 HG21 THR 19 1HG2 THR 19 -7.431 1.485 19.947 99 HG22 THR 19 2HG2 THR 19 -9.082 1.782 20.493 100 HG23 THR 19 3HG2 THR 19 -8.772 0.604 19.218 101 H LEU 20 H LEU 20 -9.514 -2.747 20.709 102 HA LEU 20 HA LEU 20 -11.576 -2.141 18.704 103 HB2 LEU 20 2HB LEU 20 -9.370 -4.185 18.777 104 HB3 LEU 20 3HB LEU 20 -10.665 -4.219 17.583 105 HG LEU 20 HG LEU 20 -8.606 -2.041 17.929 106 HD11 LEU 20 1HD1 LEU 20 -8.282 -2.904 15.431 107 HD12 LEU 20 2HD1 LEU 20 -8.861 -4.402 16.160 108 HD13 LEU 20 3HD1 LEU 20 -7.421 -3.610 16.799 109 HD21 LEU 20 1HD2 LEU 20 -9.853 -1.642 15.524 110 HD22 LEU 20 2HD2 LEU 20 -10.165 -0.734 17.003 111 HD23 LEU 20 3HD2 LEU 20 -11.192 -2.103 16.575 112 H LYS 21 H LYS 21 -13.436 -3.273 18.607 113 HA LYS 21 HA LYS 21 -13.726 -5.755 20.096 114 HB2 LYS 21 2HB LYS 21 -15.220 -3.224 20.738 115 HB3 LYS 21 3HB LYS 21 -15.906 -4.803 21.095 116 HG2 LYS 21 2HG LYS 21 -13.652 -5.220 22.312 117 HG3 LYS 21 3HG LYS 21 -13.526 -3.459 22.294 118 HD2 LYS 21 2HD LYS 21 -16.057 -4.735 23.235 119 HD3 LYS 21 3HD LYS 21 -14.658 -4.696 24.311 120 HE2 LYS 21 2HE LYS 21 -15.750 -2.739 24.869 121 HE3 LYS 21 3HE LYS 21 -14.574 -2.176 23.682 122 HZ1 LYS 21 1HZ LYS 21 -16.908 -2.956 22.336 123 HZ2 LYS 21 2HZ LYS 21 -16.225 -1.413 22.448 124 HZ3 LYS 21 3HZ LYS 21 -17.352 -1.924 23.601 125 H GLY 22 H GLY 22 -15.136 -7.138 19.156 126 HA2 GLY 22 2HA GLY 22 -17.429 -7.031 17.939 127 HA3 GLY 22 3HA GLY 22 -16.484 -6.178 16.729 128 H GLU 23 H GLU 23 -16.693 -7.660 15.096 129 HA GLU 23 HA GLU 23 -14.958 -9.944 15.231 130 HB2 GLU 23 2HB GLU 23 -16.640 -11.631 14.704 131 HB3 GLU 23 3HB GLU 23 -16.979 -10.882 16.257 132 HG2 GLU 23 2HG GLU 23 -18.514 -9.322 14.820 133 HG3 GLU 23 3HG GLU 23 -18.456 -10.668 13.684 134 H THR 24 H THR 24 -14.524 -10.858 13.178 135 HA THR 24 HA THR 24 -15.856 -9.943 10.817 136 HB THR 24 HB THR 24 -14.476 -7.943 11.388 137 HG1 THR 24 HG1 THR 24 -14.891 -8.118 9.243 138 HG21 THR 24 1HG2 THR 24 -12.181 -7.980 11.542 139 HG22 THR 24 2HG2 THR 24 -12.031 -9.445 10.571 140 HG23 THR 24 3HG2 THR 24 -12.573 -9.549 12.246 141 H THR 25 H THR 25 -14.597 -10.652 8.811 142 HA THR 25 HA THR 25 -13.240 -13.201 9.401 143 HB THR 25 HB THR 25 -14.045 -13.935 7.134 144 HG1 THR 25 HG1 THR 25 -14.520 -11.729 6.423 145 HG21 THR 25 1HG2 THR 25 -16.579 -13.909 8.003 146 HG22 THR 25 2HG2 THR 25 -15.766 -13.430 9.492 147 HG23 THR 25 3HG2 THR 25 -15.339 -14.948 8.705 148 H THR 26 H THR 26 -11.856 -13.953 7.492 149 HA THR 26 HA THR 26 -10.610 -11.798 5.990 150 HB THR 26 HB THR 26 -9.024 -13.471 7.948 151 HG1 THR 26 HG1 THR 26 -9.238 -10.642 7.856 152 HG21 THR 26 1HG2 THR 26 -7.283 -13.139 6.592 153 HG22 THR 26 2HG2 THR 26 -7.446 -11.409 6.895 154 HG23 THR 26 3HG2 THR 26 -8.254 -12.142 5.510 155 H GLU 27 H GLU 27 -9.954 -12.475 4.039 156 HA GLU 27 HA GLU 27 -10.071 -15.350 3.490 157 HB2 GLU 27 2HB GLU 27 -10.220 -12.921 1.711 158 HB3 GLU 27 3HB GLU 27 -10.038 -14.547 1.069 159 HG2 GLU 27 2HG GLU 27 -12.154 -15.185 1.708 160 HG3 GLU 27 3HG GLU 27 -12.260 -13.953 2.965 161 H ALA 28 H ALA 28 -8.148 -16.286 3.826 162 HA ALA 28 HA ALA 28 -5.812 -15.120 2.465 163 HB1 ALA 28 1HB ALA 28 -4.499 -15.185 4.291 164 HB2 ALA 28 2HB ALA 28 -6.035 -15.105 5.156 165 HB3 ALA 28 3HB ALA 28 -5.245 -16.661 4.905 166 H VAL 29 H VAL 29 -3.991 -16.844 2.362 167 HA VAL 29 HA VAL 29 -5.082 -19.107 0.968 168 HB VAL 29 HB VAL 29 -2.734 -19.727 0.549 169 HG11 VAL 29 1HG1 VAL 29 -3.581 -16.890 0.037 170 HG12 VAL 29 2HG1 VAL 29 -2.092 -17.562 -0.632 171 HG13 VAL 29 3HG1 VAL 29 -3.650 -18.274 -1.054 172 HG21 VAL 29 1HG2 VAL 29 -1.299 -17.502 1.403 173 HG22 VAL 29 2HG2 VAL 29 -2.290 -17.955 2.789 174 HG23 VAL 29 3HG2 VAL 29 -1.205 -19.136 2.058 175 H ASP 30 H ASP 30 -3.814 -18.487 4.130 176 HA ASP 30 HA ASP 30 -4.494 -21.189 4.943 177 HB2 ASP 30 2HB ASP 30 -1.977 -20.991 4.213 178 HB3 ASP 30 3HB ASP 30 -1.790 -20.211 5.781 179 H ALA 31 H ALA 31 -4.024 -21.393 7.416 180 HA ALA 31 HA ALA 31 -5.537 -19.386 8.711 181 HB1 ALA 31 1HB ALA 31 -5.753 -20.965 10.256 182 HB2 ALA 31 2HB ALA 31 -4.665 -21.981 9.308 183 HB3 ALA 31 3HB ALA 31 -4.020 -20.947 10.582 184 H ALA 32 H ALA 32 -2.081 -20.032 8.505 185 HA ALA 32 HA ALA 32 -1.264 -18.179 10.480 186 HB1 ALA 32 1HB ALA 32 0.129 -19.532 8.200 187 HB2 ALA 32 2HB ALA 32 0.950 -18.308 9.168 188 HB3 ALA 32 3HB ALA 32 0.338 -19.774 9.934 189 H THR 33 H THR 33 -1.903 -17.900 7.035 190 HA THR 33 HA THR 33 -0.826 -15.275 6.753 191 HB THR 33 HB THR 33 -2.958 -16.335 4.934 192 HG1 THR 33 HG1 THR 33 -0.434 -17.433 5.416 193 HG21 THR 33 1HG2 THR 33 -0.577 -14.538 4.723 194 HG22 THR 33 2HG2 THR 33 -2.234 -14.270 4.182 195 HG23 THR 33 3HG2 THR 33 -1.179 -15.364 3.288 196 H ALA 34 H ALA 34 -4.078 -16.572 7.273 197 HA ALA 34 HA ALA 34 -5.590 -14.282 6.984 198 HB1 ALA 34 1HB ALA 34 -6.262 -16.739 7.555 199 HB2 ALA 34 2HB ALA 34 -6.210 -16.157 9.220 200 HB3 ALA 34 3HB ALA 34 -7.293 -15.399 8.053 201 H GLU 35 H GLU 35 -4.018 -15.467 9.955 202 HA GLU 35 HA GLU 35 -4.804 -13.335 11.603 203 HB2 GLU 35 2HB GLU 35 -3.919 -15.459 12.468 204 HB3 GLU 35 3HB GLU 35 -2.338 -15.071 11.806 205 HG2 GLU 35 2HG GLU 35 -2.586 -12.922 13.279 206 HG3 GLU 35 3HG GLU 35 -3.741 -13.919 14.162 207 H LYS 36 H LYS 36 -2.006 -13.767 9.504 208 HA LYS 36 HA LYS 36 -0.522 -11.537 10.329 209 HB2 LYS 36 2HB LYS 36 -0.669 -13.016 7.707 210 HB3 LYS 36 3HB LYS 36 0.429 -11.665 7.958 211 HG2 LYS 36 2HG LYS 36 1.696 -12.826 9.529 212 HG3 LYS 36 3HG LYS 36 0.423 -14.016 9.813 213 HD2 LYS 36 2HD LYS 36 0.878 -15.161 7.852 214 HD3 LYS 36 3HD LYS 36 1.660 -13.768 7.100 215 HE2 LYS 36 2HE LYS 36 3.438 -15.185 7.605 216 HE3 LYS 36 3HE LYS 36 3.434 -14.036 8.943 217 HZ1 LYS 36 1HZ LYS 36 1.791 -16.342 9.420 218 HZ2 LYS 36 2HZ LYS 36 2.976 -15.639 10.400 219 HZ3 LYS 36 3HZ LYS 36 3.420 -16.732 9.187 220 H VAL 37 H VAL 37 -3.342 -11.809 8.330 221 HA VAL 37 HA VAL 37 -3.130 -9.313 6.996 222 HB VAL 37 HB VAL 37 -5.612 -10.915 7.628 223 HG11 VAL 37 1HG1 VAL 37 -6.206 -8.658 7.062 224 HG12 VAL 37 2HG1 VAL 37 -5.124 -8.676 5.669 225 HG13 VAL 37 3HG1 VAL 37 -6.563 -9.695 5.683 226 HG21 VAL 37 1HG2 VAL 37 -5.018 -12.341 6.032 227 HG22 VAL 37 2HG2 VAL 37 -4.749 -11.023 4.891 228 HG23 VAL 37 3HG2 VAL 37 -3.446 -11.545 5.960 229 H PHE 38 H PHE 38 -4.881 -10.343 9.912 230 HA PHE 38 HA PHE 38 -5.773 -7.651 10.459 231 HB2 PHE 38 2HB PHE 38 -7.252 -9.474 11.043 232 HB3 PHE 38 3HB PHE 38 -6.006 -10.217 12.042 233 HD1 PHE 38 HD1 PHE 38 -5.498 -9.368 14.236 234 HD2 PHE 38 HD2 PHE 38 -8.452 -7.507 11.800 235 HE1 PHE 38 HE1 PHE 38 -6.327 -8.128 16.194 236 HE2 PHE 38 HE2 PHE 38 -9.285 -6.265 13.753 237 HZ PHE 38 HZ PHE 38 -8.221 -6.574 15.953 238 H LYS 39 H LYS 39 -3.012 -9.517 11.111 239 HA LYS 39 HA LYS 39 -2.184 -8.716 13.617 240 HB2 LYS 39 2HB LYS 39 -0.818 -9.556 11.126 241 HB3 LYS 39 3HB LYS 39 0.178 -8.717 12.308 242 HG2 LYS 39 2HG LYS 39 -1.078 -10.494 13.904 243 HG3 LYS 39 3HG LYS 39 -1.002 -11.407 12.395 244 HD2 LYS 39 2HD LYS 39 1.353 -10.079 13.737 245 HD3 LYS 39 3HD LYS 39 0.957 -11.794 13.852 246 HE2 LYS 39 2HE LYS 39 1.211 -12.019 11.433 247 HE3 LYS 39 3HE LYS 39 1.580 -10.299 11.307 248 HZ1 LYS 39 1HZ LYS 39 3.629 -11.427 11.294 249 HZ2 LYS 39 2HZ LYS 39 3.202 -12.412 12.601 250 HZ3 LYS 39 3HZ LYS 39 3.493 -10.762 12.844 251 H GLN 40 H GLN 40 -2.040 -6.949 10.574 252 HA GLN 40 HA GLN 40 -0.568 -4.750 11.719 253 HB2 GLN 40 2HB GLN 40 -0.186 -5.202 9.403 254 HB3 GLN 40 3HB GLN 40 -1.908 -5.157 9.047 255 HG2 GLN 40 2HG GLN 40 -0.686 -2.715 10.192 256 HG3 GLN 40 3HG GLN 40 -0.289 -3.127 8.525 257 HE21 GLN 40 1HE2 GLN 40 -2.263 -1.307 10.313 258 HE22 GLN 40 2HE2 GLN 40 -3.644 -1.224 9.278 259 H TYR 41 H TYR 41 -3.884 -5.629 11.263 260 HA TYR 41 HA TYR 41 -5.007 -3.027 11.445 261 HB2 TYR 41 2HB TYR 41 -6.017 -5.419 10.753 262 HB3 TYR 41 3HB TYR 41 -6.578 -5.348 12.421 263 HD1 TYR 41 HD1 TYR 41 -6.289 -2.824 9.673 264 HD2 TYR 41 HD2 TYR 41 -8.796 -4.743 12.524 265 HE1 TYR 41 HE1 TYR 41 -8.165 -1.396 8.974 266 HE2 TYR 41 HE2 TYR 41 -10.681 -3.322 11.831 267 HH TYR 41 HH TYR 41 -10.869 -1.724 9.087 268 H ALA 42 H ALA 42 -4.323 -5.561 13.815 269 HA ALA 42 HA ALA 42 -5.498 -4.231 16.027 270 HB1 ALA 42 1HB ALA 42 -4.158 -6.699 15.544 271 HB2 ALA 42 2HB ALA 42 -3.427 -5.920 16.949 272 HB3 ALA 42 3HB ALA 42 -5.163 -6.233 16.918 273 H ASN 43 H ASN 43 -2.244 -4.273 14.666 274 HA ASN 43 HA ASN 43 -1.021 -2.825 16.783 275 HB2 ASN 43 2HB ASN 43 0.349 -4.169 15.318 276 HB3 ASN 43 3HB ASN 43 -0.186 -3.258 13.910 277 HD21 ASN 43 1HD2 ASN 43 1.715 -2.445 13.240 278 HD22 ASN 43 2HD2 ASN 43 2.701 -1.374 14.171 279 H ASP 44 H ASP 44 -2.494 -1.904 13.714 280 HA ASP 44 HA ASP 44 -1.760 0.843 13.867 281 HB2 ASP 44 2HB ASP 44 -2.262 0.081 11.702 282 HB3 ASP 44 3HB ASP 44 -3.750 -0.703 12.226 283 H ASN 45 H ASN 45 -4.505 -1.038 14.972 284 HA ASN 45 HA ASN 45 -6.040 1.291 15.718 285 HB2 ASN 45 2HB ASN 45 -6.432 -1.666 15.865 286 HB3 ASN 45 3HB ASN 45 -7.390 -0.642 16.931 287 HD21 ASN 45 1HD2 ASN 45 -6.962 -1.822 13.769 288 HD22 ASN 45 2HD2 ASN 45 -8.266 -0.970 13.023 289 H GLY 46 H GLY 46 -3.631 -0.694 17.142 290 HA2 GLY 46 2HA GLY 46 -2.479 0.077 19.104 291 HA3 GLY 46 3HA GLY 46 -3.999 0.744 19.684 292 H LEU 47 H LEU 47 -5.205 -1.935 18.672 293 HA LEU 47 HA LEU 47 -5.207 -3.200 21.221 294 HB2 LEU 47 2HB LEU 47 -6.983 -3.171 19.291 295 HB3 LEU 47 3HB LEU 47 -6.111 -4.602 18.749 296 HG LEU 47 HG LEU 47 -8.090 -5.184 20.060 297 HD11 LEU 47 1HD1 LEU 47 -7.083 -6.938 21.056 298 HD12 LEU 47 2HD1 LEU 47 -5.929 -5.926 21.923 299 HD13 LEU 47 3HD1 LEU 47 -5.659 -6.314 20.224 300 HD21 LEU 47 1HD2 LEU 47 -8.657 -4.180 21.964 301 HD22 LEU 47 2HD2 LEU 47 -7.380 -3.011 21.624 302 HD23 LEU 47 3HD2 LEU 47 -7.048 -4.408 22.650 303 H ASP 48 H ASP 48 -3.872 -4.683 22.014 304 HA ASP 48 HA ASP 48 -2.499 -6.543 20.265 305 HB2 ASP 48 2HB ASP 48 -1.094 -4.383 20.527 306 HB3 ASP 48 3HB ASP 48 -0.802 -4.951 22.169 307 H GLY 49 H GLY 49 -3.079 -8.398 21.200 308 HA2 GLY 49 2HA GLY 49 -2.569 -8.685 24.090 309 HA3 GLY 49 3HA GLY 49 -4.086 -9.241 23.397 310 H GLU 50 H GLU 50 -3.891 -11.399 23.777 311 HA GLU 50 HA GLU 50 -1.509 -12.755 22.717 312 HB2 GLU 50 2HB GLU 50 -2.108 -13.125 25.116 313 HB3 GLU 50 3HB GLU 50 -3.613 -13.860 24.582 314 HG2 GLU 50 2HG GLU 50 -2.597 -15.759 23.855 315 HG3 GLU 50 3HG GLU 50 -1.085 -14.937 23.473 316 H TRP 51 H TRP 51 -1.715 -13.622 20.773 317 HA TRP 51 HA TRP 51 -4.264 -14.017 19.537 318 HB2 TRP 51 2HB TRP 51 -1.548 -14.947 18.581 319 HB3 TRP 51 3HB TRP 51 -3.005 -14.770 17.605 320 HD1 TRP 51 HD1 TRP 51 -0.076 -12.822 18.959 321 HE1 TRP 51 HE1 TRP 51 -0.182 -10.401 18.088 322 HE3 TRP 51 HE3 TRP 51 -4.770 -12.892 16.934 323 HZ2 TRP 51 HZ2 TRP 51 -2.013 -8.742 16.725 324 HZ3 TRP 51 HZ3 TRP 51 -5.624 -10.847 15.866 325 HH2 TRP 51 HH2 TRP 51 -4.273 -8.815 15.765 326 H THR 52 H THR 52 -5.376 -15.875 19.162 327 HA THR 52 HA THR 52 -4.296 -18.332 20.382 328 HB THR 52 HB THR 52 -6.632 -19.010 20.834 329 HG1 THR 52 HG1 THR 52 -7.693 -17.738 19.270 330 HG21 THR 52 1HG2 THR 52 -6.632 -16.414 22.173 331 HG22 THR 52 2HG2 THR 52 -5.080 -17.246 22.263 332 HG23 THR 52 3HG2 THR 52 -6.542 -18.037 22.853 333 H TYR 53 H TYR 53 -4.572 -20.270 19.306 334 HA TYR 53 HA TYR 53 -5.747 -20.124 16.611 335 HB2 TYR 53 2HB TYR 53 -3.259 -21.705 17.254 336 HB3 TYR 53 3HB TYR 53 -3.936 -21.350 15.668 337 HD1 TYR 53 HD1 TYR 53 -1.146 -20.740 17.279 338 HD2 TYR 53 HD2 TYR 53 -4.436 -18.472 15.820 339 HE1 TYR 53 HE1 TYR 53 0.303 -18.761 17.112 340 HE2 TYR 53 HE2 TYR 53 -2.996 -16.484 15.647 341 HH TYR 53 HH TYR 53 0.453 -16.636 16.488 342 H ASP 54 H ASP 54 -6.983 -21.821 16.004 343 HA ASP 54 HA ASP 54 -6.925 -24.283 17.571 344 HB2 ASP 54 2HB ASP 54 -9.345 -22.507 17.261 345 HB3 ASP 54 3HB ASP 54 -9.468 -24.212 17.686 346 H ASP 55 H ASP 55 -6.775 -25.893 16.173 347 HA ASP 55 HA ASP 55 -7.550 -25.535 13.410 348 HB2 ASP 55 2HB ASP 55 -5.468 -26.797 14.351 349 HB3 ASP 55 3HB ASP 55 -6.594 -28.137 14.559 350 H ALA 56 H ALA 56 -8.673 -27.291 16.230 351 HA ALA 56 HA ALA 56 -10.456 -29.060 15.022 352 HB1 ALA 56 1HB ALA 56 -11.491 -29.286 17.153 353 HB2 ALA 56 2HB ALA 56 -9.768 -29.036 17.432 354 HB3 ALA 56 3HB ALA 56 -10.902 -27.707 17.675 355 H THR 57 H THR 57 -10.881 -25.686 15.980 356 HA THR 57 HA THR 57 -13.581 -25.712 14.824 357 HB THR 57 HB THR 57 -13.558 -24.815 17.053 358 HG1 THR 57 HG1 THR 57 -14.970 -23.616 15.918 359 HG21 THR 57 1HG2 THR 57 -12.070 -22.422 16.810 360 HG22 THR 57 2HG2 THR 57 -11.035 -23.738 16.254 361 HG23 THR 57 3HG2 THR 57 -11.751 -23.798 17.864 362 H LYS 58 H LYS 58 -10.382 -24.623 14.271 363 HA LYS 58 HA LYS 58 -9.411 -23.417 12.606 364 HB2 LYS 58 2HB LYS 58 -12.063 -23.827 11.209 365 HB3 LYS 58 3HB LYS 58 -10.562 -23.325 10.441 366 HG2 LYS 58 2HG LYS 58 -10.466 -25.530 9.957 367 HG3 LYS 58 3HG LYS 58 -9.700 -25.585 11.547 368 HD2 LYS 58 2HD LYS 58 -11.723 -26.289 12.586 369 HD3 LYS 58 3HD LYS 58 -12.659 -25.966 11.124 370 HE2 LYS 58 2HE LYS 58 -11.702 -27.799 9.990 371 HE3 LYS 58 3HE LYS 58 -10.424 -27.975 11.190 372 HZ1 LYS 58 1HZ LYS 58 -13.188 -28.892 11.273 373 HZ2 LYS 58 2HZ LYS 58 -12.536 -28.331 12.730 374 HZ3 LYS 58 3HZ LYS 58 -11.790 -29.606 11.905 375 H THR 59 H THR 59 -10.316 -21.879 14.629 376 HA THR 59 HA THR 59 -11.186 -19.452 13.222 377 HB THR 59 HB THR 59 -12.176 -20.008 16.004 378 HG1 THR 59 HG1 THR 59 -13.621 -20.605 13.624 379 HG21 THR 59 1HG2 THR 59 -13.048 -18.213 13.742 380 HG22 THR 59 2HG2 THR 59 -12.391 -17.735 15.306 381 HG23 THR 59 3HG2 THR 59 -13.994 -18.462 15.207 382 H PHE 60 H PHE 60 -10.432 -17.496 14.108 383 HA PHE 60 HA PHE 60 -8.198 -17.824 15.998 384 HB2 PHE 60 2HB PHE 60 -8.580 -15.972 13.657 385 HB3 PHE 60 3HB PHE 60 -7.415 -15.610 14.926 386 HD1 PHE 60 HD1 PHE 60 -8.398 -18.561 12.856 387 HD2 PHE 60 HD2 PHE 60 -5.252 -16.190 14.469 388 HE1 PHE 60 HE1 PHE 60 -6.745 -20.001 11.740 389 HE2 PHE 60 HE2 PHE 60 -3.594 -17.626 13.355 390 HZ PHE 60 HZ PHE 60 -4.339 -19.534 11.987 391 H THR 61 H THR 61 -7.890 -16.268 17.618 392 HA THR 61 HA THR 61 -9.965 -14.248 17.991 393 HB THR 61 HB THR 61 -9.309 -15.907 20.382 394 HG1 THR 61 HG1 THR 61 -10.820 -17.438 19.834 395 HG21 THR 61 1HG2 THR 61 -10.828 -14.512 21.230 396 HG22 THR 61 2HG2 THR 61 -12.040 -15.280 20.205 397 HG23 THR 61 3HG2 THR 61 -11.178 -13.853 19.633 398 H ILE 62 H ILE 62 -9.454 -12.832 19.907 399 HA ILE 62 HA ILE 62 -6.622 -12.753 20.609 400 HB ILE 62 HB ILE 62 -6.732 -11.364 18.615 401 HG12 ILE 62 2HG1 ILE 62 -6.566 -9.594 21.061 402 HG13 ILE 62 3HG1 ILE 62 -5.294 -10.707 20.570 403 HG21 ILE 62 1HG2 ILE 62 -8.362 -9.223 19.698 404 HG22 ILE 62 2HG2 ILE 62 -8.428 -10.006 18.120 405 HG23 ILE 62 3HG2 ILE 62 -9.272 -10.720 19.494 406 HD11 ILE 62 1HD1 ILE 62 -5.095 -8.239 19.913 407 HD12 ILE 62 2HD1 ILE 62 -4.769 -9.462 18.684 408 HD13 ILE 62 3HD1 ILE 62 -6.315 -8.613 18.695 409 H THR 63 H THR 63 -6.370 -12.287 22.692 410 HA THR 63 HA THR 63 -8.586 -10.940 24.097 411 HB THR 63 HB THR 63 -7.578 -12.136 26.159 412 HG1 THR 63 HG1 THR 63 -6.609 -13.839 24.085 413 HG21 THR 63 1HG2 THR 63 -8.875 -13.968 24.157 414 HG22 THR 63 2HG2 THR 63 -9.758 -12.640 24.910 415 HG23 THR 63 3HG2 THR 63 -9.081 -13.926 25.908 416 H GLU 64 H GLU 64 -8.120 -9.006 24.895 417 HA GLU 64 HA GLU 64 -5.298 -8.289 25.294 418 HB2 GLU 64 2HB GLU 64 -6.905 -6.972 23.729 419 HB3 GLU 64 3HB GLU 64 -7.550 -6.307 25.223 420 HG2 GLU 64 2HG GLU 64 -4.677 -6.148 24.344 421 HG3 GLU 64 3HG GLU 64 -5.866 -4.854 24.208
Contact the webmaster for help, if required. Wednesday, May 29, 2024 1:23:24 AM GMT (wattos1)