NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
1870 | 1b2t | 4397 | cing | recoord | dress | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H MET 0 2H MET 0 24.521 0.003 0.355 2 3H MET 0 3H MET 0 23.253 1.084 0.767 3 1H MET 0 1H MET 0 24.640 1.665 -0.059 4 HA MET 0 HA MET 0 24.437 2.083 2.405 5 1HB MET 0 1HB MET 0 24.803 -0.866 2.194 6 2HB MET 0 2HB MET 0 25.655 -0.033 3.486 7 1HG MET 0 1HG MET 0 23.379 0.991 4.062 8 2HG MET 0 2HG MET 0 22.706 -0.271 3.031 9 1HE MET 0 1HE MET 0 24.432 -2.657 3.361 10 2HE MET 0 2HE MET 0 25.746 -1.992 4.330 11 3HE MET 0 3HE MET 0 24.731 -3.277 4.985 12 H GLN 1 H GLN 1 25.923 3.432 1.097 13 HA GLN 1 HA GLN 1 28.613 2.442 0.708 14 1HB GLN 1 1HB GLN 1 27.559 5.258 0.389 15 2HB GLN 1 2HB GLN 1 29.083 4.632 -0.225 16 1HG GLN 1 1HG GLN 1 26.741 3.130 -1.115 17 2HG GLN 1 2HG GLN 1 26.762 4.814 -1.638 18 1HE2 GLN 1 2HE2 GLN 1 28.314 1.721 -1.852 19 2HE2 GLN 1 1HE2 GLN 1 29.345 2.097 -3.185 20 H HIS 2 H HIS 2 27.029 4.903 2.730 21 HA HIS 2 HA HIS 2 28.925 4.439 4.849 22 1HB HIS 2 1HB HIS 2 28.782 7.291 3.955 23 2HB HIS 2 2HB HIS 2 30.037 6.470 4.879 24 HD1 HIS 2 HD1 HIS 2 32.055 5.760 3.608 25 HD2 HIS 2 HD2 HIS 2 28.826 6.549 1.113 26 HE1 HIS 2 HE1 HIS 2 32.957 5.590 1.267 27 HE2 HIS 2 HE2 HIS 2 30.999 6.128 -0.225 28 H HIS 3 H HIS 3 26.529 6.802 3.672 29 HA HIS 3 HA HIS 3 25.149 6.541 6.261 30 1HB HIS 3 1HB HIS 3 24.429 9.004 5.738 31 2HB HIS 3 2HB HIS 3 25.997 8.686 6.472 32 HD1 HIS 3 HD1 HIS 3 27.904 9.802 5.367 33 HD2 HIS 3 HD2 HIS 3 24.701 9.281 2.772 34 HE1 HIS 3 HE1 HIS 3 28.588 10.921 3.221 35 HE2 HIS 3 HE2 HIS 3 26.674 10.509 1.637 36 H GLY 4 H GLY 4 22.946 6.382 6.210 37 1HA GLY 4 1HA GLY 4 20.814 6.706 5.150 38 2HA GLY 4 2HA GLY 4 21.624 6.640 3.592 39 H VAL 5 H VAL 5 19.677 4.966 5.659 40 HA VAL 5 HA VAL 5 20.515 2.370 4.540 41 HB VAL 5 HB VAL 5 19.507 1.279 6.470 42 1HG1 VAL 5 1HG1 VAL 5 21.726 3.177 6.686 43 2HG1 VAL 5 2HG1 VAL 5 21.033 2.691 8.233 44 3HG1 VAL 5 3HG1 VAL 5 21.645 1.468 7.119 45 1HG2 VAL 5 1HG2 VAL 5 18.180 3.733 6.796 46 2HG2 VAL 5 2HG2 VAL 5 18.028 2.283 7.789 47 3HG2 VAL 5 3HG2 VAL 5 19.201 3.528 8.220 48 H THR 6 H THR 6 19.002 3.778 2.880 49 HA THR 6 HA THR 6 16.307 2.630 3.185 50 HB THR 6 HB THR 6 16.272 4.812 1.342 51 HG1 THR 6 HG1 THR 6 18.019 5.697 2.392 52 1HG2 THR 6 1HG2 THR 6 14.336 4.067 2.617 53 2HG2 THR 6 2HG2 THR 6 15.108 4.603 4.108 54 3HG2 THR 6 3HG2 THR 6 14.661 5.781 2.874 55 H LYS 7 H LYS 7 15.389 3.241 0.619 56 HA LYS 7 HA LYS 7 16.969 2.644 -1.537 57 1HB LYS 7 1HB LYS 7 16.384 0.168 -1.830 58 2HB LYS 7 2HB LYS 7 17.663 0.567 -0.689 59 1HG LYS 7 1HG LYS 7 15.948 0.428 1.134 60 2HG LYS 7 2HG LYS 7 14.824 -0.207 -0.068 61 1HD LYS 7 1HD LYS 7 15.639 -2.233 0.369 62 2HD LYS 7 2HD LYS 7 17.147 -1.713 -0.390 63 1HE LYS 7 1HE LYS 7 17.737 -0.743 1.909 64 2HE LYS 7 2HE LYS 7 16.414 -1.735 2.521 65 1HZ LYS 7 1HZ LYS 7 17.712 -3.556 1.137 66 2HZ LYS 7 2HZ LYS 7 19.019 -2.543 1.487 67 3HZ LYS 7 3HZ LYS 7 18.102 -3.205 2.745 68 H CYS 8 H CYS 8 15.582 3.787 -2.765 69 HA CYS 8 HA CYS 8 13.770 4.263 -4.048 70 1HB CYS 8 1HB CYS 8 13.772 2.125 -4.989 71 2HB CYS 8 2HB CYS 8 13.315 1.354 -3.474 72 H ASN 9 H ASN 9 12.001 5.437 -3.636 73 HA ASN 9 HA ASN 9 11.069 5.923 -1.092 74 1HB ASN 9 1HB ASN 9 8.950 6.763 -2.359 75 2HB ASN 9 2HB ASN 9 10.496 7.555 -2.644 76 1HD2 ASN 9 2HD2 ASN 9 8.288 5.122 -3.903 77 2HD2 ASN 9 1HD2 ASN 9 8.755 5.291 -5.558 78 H ILE 10 H ILE 10 9.739 3.698 -3.508 79 HA ILE 10 HA ILE 10 8.245 2.378 -1.344 80 HB ILE 10 HB ILE 10 6.686 3.732 -2.700 81 1HG1 ILE 10 1HG1 ILE 10 6.056 0.902 -3.400 82 2HG1 ILE 10 2HG1 ILE 10 6.290 1.298 -1.699 83 1HG2 ILE 10 1HG2 ILE 10 8.150 3.250 -4.821 84 2HG2 ILE 10 2HG2 ILE 10 7.063 1.871 -4.997 85 3HG2 ILE 10 3HG2 ILE 10 6.412 3.511 -4.968 86 1HD1 ILE 10 1HD1 ILE 10 4.560 3.029 -1.897 87 2HD1 ILE 10 2HD1 ILE 10 4.290 2.536 -3.568 88 3HD1 ILE 10 3HD1 ILE 10 3.958 1.409 -2.252 89 H THR 11 H THR 11 9.639 0.667 -1.158 90 HA THR 11 HA THR 11 10.168 -0.917 -3.575 91 HB THR 11 HB THR 11 11.621 -0.508 -1.006 92 HG1 THR 11 HG1 THR 11 13.382 -0.671 -2.544 93 1HG2 THR 11 1HG2 THR 11 11.926 -3.027 -2.626 94 2HG2 THR 11 2HG2 THR 11 12.991 -2.492 -1.327 95 3HG2 THR 11 3HG2 THR 11 11.317 -2.923 -0.974 96 H CYS 12 H CYS 12 9.125 -2.766 -3.877 97 HA CYS 12 HA CYS 12 7.300 -3.740 -1.869 98 1HB CYS 12 1HB CYS 12 7.931 -4.964 -4.559 99 2HB CYS 12 2HB CYS 12 6.504 -5.248 -3.568 100 H SER 13 H SER 13 9.015 -4.275 -0.306 101 HA SER 13 HA SER 13 10.893 -6.333 -0.803 102 1HB SER 13 1HB SER 13 10.257 -4.603 1.340 103 2HB SER 13 2HB SER 13 10.143 -6.243 1.974 104 HG SER 13 HG SER 13 12.314 -4.909 1.686 105 H LYS 14 H LYS 14 7.583 -6.307 0.354 106 HA LYS 14 HA LYS 14 7.437 -9.189 -0.066 107 1HB LYS 14 1HB LYS 14 6.541 -7.871 2.505 108 2HB LYS 14 2HB LYS 14 6.292 -9.559 2.078 109 1HG LYS 14 1HG LYS 14 9.068 -8.502 2.084 110 2HG LYS 14 2HG LYS 14 8.275 -8.806 3.631 111 1HD LYS 14 1HD LYS 14 8.001 -11.096 3.159 112 2HD LYS 14 2HD LYS 14 8.346 -10.866 1.443 113 1HE LYS 14 1HE LYS 14 10.469 -11.373 1.852 114 2HE LYS 14 2HE LYS 14 10.593 -9.906 2.821 115 1HZ LYS 14 1HZ LYS 14 9.765 -12.576 3.827 116 2HZ LYS 14 2HZ LYS 14 11.276 -11.853 4.072 117 3HZ LYS 14 3HZ LYS 14 9.890 -11.169 4.757 118 H MET 15 H MET 15 4.919 -9.716 0.722 119 HA MET 15 HA MET 15 3.334 -7.956 -1.014 120 1HB MET 15 1HB MET 15 3.208 -10.855 -0.329 121 2HB MET 15 2HB MET 15 1.706 -10.034 -0.735 122 1HG MET 15 1HG MET 15 2.470 -10.962 -2.739 123 2HG MET 15 2HG MET 15 2.865 -9.247 -2.840 124 1HE MET 15 1HE MET 15 4.557 -8.657 -4.006 125 2HE MET 15 2HE MET 15 5.758 -8.404 -2.740 126 3HE MET 15 3HE MET 15 6.168 -9.357 -4.166 127 H THR 16 H THR 16 1.238 -7.293 -0.390 128 HA THR 16 HA THR 16 0.977 -6.920 2.488 129 HB THR 16 HB THR 16 0.721 -5.071 0.698 130 HG1 THR 16 HG1 THR 16 -0.732 -4.013 2.025 131 1HG2 THR 16 1HG2 THR 16 -1.078 -6.571 -0.496 132 2HG2 THR 16 2HG2 THR 16 -2.155 -5.784 0.657 133 3HG2 THR 16 3HG2 THR 16 -1.208 -4.813 -0.471 134 H SER 17 H SER 17 -1.673 -6.658 2.896 135 HA SER 17 HA SER 17 -2.674 -9.380 2.409 136 1HB SER 17 1HB SER 17 -4.254 -8.460 4.414 137 2HB SER 17 2HB SER 17 -2.739 -9.323 4.681 138 HG SER 17 HG SER 17 -3.294 -6.976 5.562 139 H LYS 18 H LYS 18 -5.176 -9.456 2.549 140 HA LYS 18 HA LYS 18 -6.196 -8.041 0.337 141 1HB LYS 18 1HB LYS 18 -6.954 -10.275 1.654 142 2HB LYS 18 2HB LYS 18 -8.133 -9.137 2.290 143 1HG LYS 18 1HG LYS 18 -8.003 -8.753 -0.510 144 2HG LYS 18 2HG LYS 18 -8.127 -10.487 -0.207 145 1HD LYS 18 1HD LYS 18 -10.183 -10.302 0.808 146 2HD LYS 18 2HD LYS 18 -9.912 -8.626 1.290 147 1HE LYS 18 1HE LYS 18 -11.398 -8.291 -0.404 148 2HE LYS 18 2HE LYS 18 -9.895 -8.250 -1.324 149 1HZ LYS 18 1HZ LYS 18 -10.259 -10.697 -1.702 150 2HZ LYS 18 2HZ LYS 18 -11.822 -10.486 -1.091 151 3HZ LYS 18 3HZ LYS 18 -11.342 -9.665 -2.491 152 H ILE 19 H ILE 19 -7.425 -6.233 0.157 153 HA ILE 19 HA ILE 19 -8.345 -4.894 2.592 154 HB ILE 19 HB ILE 19 -6.879 -3.342 0.473 155 1HG1 ILE 19 1HG1 ILE 19 -5.729 -4.297 3.102 156 2HG1 ILE 19 2HG1 ILE 19 -5.379 -5.044 1.547 157 1HG2 ILE 19 1HG2 ILE 19 -7.846 -2.754 3.255 158 2HG2 ILE 19 2HG2 ILE 19 -6.667 -1.736 2.428 159 3HG2 ILE 19 3HG2 ILE 19 -8.280 -1.946 1.749 160 1HD1 ILE 19 1HD1 ILE 19 -4.829 -2.387 1.107 161 2HD1 ILE 19 2HD1 ILE 19 -4.270 -2.659 2.757 162 3HD1 ILE 19 3HD1 ILE 19 -3.653 -3.658 1.441 163 HA PRO 20 HA PRO 20 -12.054 -4.269 0.289 164 1HB PRO 20 1HB PRO 20 -12.194 -1.680 1.733 165 2HB PRO 20 2HB PRO 20 -13.376 -2.984 1.653 166 1HG PRO 20 1HG PRO 20 -11.915 -2.571 3.844 167 2HG PRO 20 2HG PRO 20 -12.329 -4.201 3.297 168 1HD PRO 20 1HD PRO 20 -9.743 -2.733 3.081 169 2HD PRO 20 2HD PRO 20 -10.039 -4.459 3.370 170 H VAL 21 H VAL 21 -12.106 -3.660 -1.771 171 HA VAL 21 HA VAL 21 -10.383 -1.835 -2.976 172 HB VAL 21 HB VAL 21 -11.749 -3.611 -4.140 173 1HG1 VAL 21 1HG1 VAL 21 -13.885 -2.003 -3.150 174 2HG1 VAL 21 2HG1 VAL 21 -13.948 -2.015 -4.913 175 3HG1 VAL 21 3HG1 VAL 21 -13.964 -3.536 -4.020 176 1HG2 VAL 21 1HG2 VAL 21 -10.525 -1.529 -5.162 177 2HG2 VAL 21 2HG2 VAL 21 -11.539 -2.561 -6.170 178 3HG2 VAL 21 3HG2 VAL 21 -12.166 -1.028 -5.566 179 H ALA 22 H ALA 22 -13.292 -1.308 -1.214 180 HA ALA 22 HA ALA 22 -14.015 1.203 -2.326 181 1HB ALA 22 1HB ALA 22 -15.511 -0.304 -0.987 182 2HB ALA 22 2HB ALA 22 -14.645 0.232 0.452 183 3HB ALA 22 3HB ALA 22 -15.546 1.396 -0.520 184 H LEU 23 H LEU 23 -11.345 0.324 -0.554 185 HA LEU 23 HA LEU 23 -11.095 2.957 0.724 186 1HB LEU 23 1HB LEU 23 -9.742 0.318 1.204 187 2HB LEU 23 2HB LEU 23 -9.073 1.813 1.830 188 HG LEU 23 HG LEU 23 -10.600 0.346 3.343 189 1HD1 LEU 23 1HD1 LEU 23 -9.875 3.010 3.327 190 2HD1 LEU 23 2HD1 LEU 23 -11.620 3.053 3.573 191 3HD1 LEU 23 3HD1 LEU 23 -10.596 2.130 4.674 192 1HD2 LEU 23 1HD2 LEU 23 -12.403 0.265 1.590 193 2HD2 LEU 23 2HD2 LEU 23 -12.929 0.740 3.204 194 3HD2 LEU 23 3HD2 LEU 23 -12.719 1.963 1.951 195 H LEU 24 H LEU 24 -10.070 1.175 -1.957 196 HA LEU 24 HA LEU 24 -7.495 2.457 -2.241 197 1HB LEU 24 1HB LEU 24 -8.981 0.919 -4.358 198 2HB LEU 24 2HB LEU 24 -7.255 1.202 -4.246 199 HG LEU 24 HG LEU 24 -8.880 -0.548 -2.398 200 1HD1 LEU 24 1HD1 LEU 24 -6.940 -1.186 -4.610 201 2HD1 LEU 24 2HD1 LEU 24 -7.504 -2.360 -3.420 202 3HD1 LEU 24 3HD1 LEU 24 -8.651 -1.605 -4.527 203 1HD2 LEU 24 1HD2 LEU 24 -6.589 0.784 -1.762 204 2HD2 LEU 24 2HD2 LEU 24 -7.109 -0.738 -1.038 205 3HD2 LEU 24 3HD2 LEU 24 -5.959 -0.744 -2.377 206 H ILE 25 H ILE 25 -6.954 4.080 -3.665 207 HA ILE 25 HA ILE 25 -9.204 5.428 -5.013 208 HB ILE 25 HB ILE 25 -7.967 7.573 -4.627 209 1HG1 ILE 25 1HG1 ILE 25 -6.443 6.010 -2.541 210 2HG1 ILE 25 2HG1 ILE 25 -5.775 6.385 -4.127 211 1HG2 ILE 25 1HG2 ILE 25 -9.142 5.948 -2.414 212 2HG2 ILE 25 2HG2 ILE 25 -8.524 7.568 -2.089 213 3HG2 ILE 25 3HG2 ILE 25 -9.817 7.337 -3.267 214 1HD1 ILE 25 1HD1 ILE 25 -6.797 8.775 -2.959 215 2HD1 ILE 25 2HD1 ILE 25 -5.736 7.965 -1.807 216 3HD1 ILE 25 3HD1 ILE 25 -5.141 8.376 -3.417 217 H HIS 26 H HIS 26 -5.797 4.582 -5.069 218 HA HIS 26 HA HIS 26 -5.803 4.778 -7.964 219 1HB HIS 26 1HB HIS 26 -4.156 6.538 -6.187 220 2HB HIS 26 2HB HIS 26 -3.495 6.009 -7.731 221 HD1 HIS 26 HD1 HIS 26 -5.856 6.282 -9.581 222 HD2 HIS 26 HD2 HIS 26 -4.951 9.083 -6.648 223 HE1 HIS 26 HE1 HIS 26 -6.941 8.422 -10.337 224 HE2 HIS 26 HE2 HIS 26 -6.450 10.080 -8.505 225 H TYR 27 H TYR 27 -4.084 3.625 -8.963 226 HA TYR 27 HA TYR 27 -2.485 1.941 -7.164 227 1HB TYR 27 1HB TYR 27 -3.095 -0.047 -8.201 228 2HB TYR 27 2HB TYR 27 -4.618 0.838 -8.187 229 HD1 TYR 27 HD1 TYR 27 -1.725 -0.072 -10.330 230 HD2 TYR 27 HD2 TYR 27 -5.743 1.347 -10.198 231 HE1 TYR 27 HE1 TYR 27 -1.891 -0.336 -12.773 232 HE2 TYR 27 HE2 TYR 27 -5.921 1.088 -12.642 233 HH TYR 27 HH TYR 27 -4.036 -0.718 -14.445 234 H GLN 28 H GLN 28 -0.401 2.116 -7.622 235 HA GLN 28 HA GLN 28 0.392 3.054 -10.286 236 1HB GLN 28 1HB GLN 28 2.530 2.872 -8.320 237 2HB GLN 28 2HB GLN 28 2.004 4.247 -9.281 238 1HG GLN 28 1HG GLN 28 0.007 4.173 -7.506 239 2HG GLN 28 2HG GLN 28 1.293 3.470 -6.526 240 1HE2 GLN 28 2HE2 GLN 28 0.333 5.744 -5.628 241 2HE2 GLN 28 1HE2 GLN 28 1.404 7.065 -5.929 242 H GLN 29 H GLN 29 2.989 2.225 -10.411 243 HA GLN 29 HA GLN 29 2.855 -0.708 -10.256 244 1HB GLN 29 1HB GLN 29 2.812 0.839 -12.623 245 2HB GLN 29 2HB GLN 29 4.408 0.107 -12.528 246 1HG GLN 29 1HG GLN 29 3.572 -1.789 -13.286 247 2HG GLN 29 2HG GLN 29 2.538 -1.897 -11.863 248 1HE2 GLN 29 2HE2 GLN 29 1.638 -2.994 -14.128 249 2HE2 GLN 29 1HE2 GLN 29 0.365 -2.049 -14.814 250 H ASN 30 H ASN 30 4.734 -1.745 -9.729 251 HA ASN 30 HA ASN 30 6.700 -0.305 -8.322 252 1HB ASN 30 1HB ASN 30 6.343 -2.562 -7.685 253 2HB ASN 30 2HB ASN 30 6.583 -3.146 -9.328 254 1HD2 ASN 30 2HD2 ASN 30 8.060 -2.304 -6.366 255 2HD2 ASN 30 1HD2 ASN 30 9.687 -2.676 -6.811 256 H GLN 31 H GLN 31 8.732 0.370 -8.841 257 HA GLN 31 HA GLN 31 9.298 0.748 -11.641 258 1HB GLN 31 1HB GLN 31 10.439 1.721 -9.068 259 2HB GLN 31 2HB GLN 31 11.486 1.738 -10.480 260 1HG GLN 31 1HG GLN 31 9.338 2.897 -11.550 261 2HG GLN 31 2HG GLN 31 9.094 3.359 -9.866 262 1HE2 GLN 31 2HE2 GLN 31 10.953 4.388 -8.787 263 2HE2 GLN 31 1HE2 GLN 31 11.954 5.447 -9.715 264 H ALA 32 H ALA 32 10.843 -0.226 -12.856 265 HA ALA 32 HA ALA 32 11.761 -2.785 -12.114 266 1HB ALA 32 1HB ALA 32 12.329 -0.955 -14.410 267 2HB ALA 32 2HB ALA 32 13.262 -2.437 -14.202 268 3HB ALA 32 3HB ALA 32 11.511 -2.517 -14.399 269 H SER 33 H SER 33 12.896 0.250 -11.263 270 HA SER 33 HA SER 33 15.563 -0.830 -10.630 271 1HB SER 33 1HB SER 33 16.548 1.223 -11.060 272 2HB SER 33 2HB SER 33 15.256 1.219 -12.260 273 HG SER 33 HG SER 33 15.229 2.490 -9.723 274 H CYS 34 H CYS 34 12.916 -0.805 -9.147 275 HA CYS 34 HA CYS 34 13.783 0.651 -6.740 276 1HB CYS 34 1HB CYS 34 11.185 0.239 -8.008 277 2HB CYS 34 2HB CYS 34 11.171 -0.151 -6.291 278 H GLY 35 H GLY 35 11.535 -2.064 -7.094 279 1HA GLY 35 1HA GLY 35 13.376 -3.834 -5.683 280 2HA GLY 35 2HA GLY 35 11.882 -3.433 -4.851 281 H LYS 36 H LYS 36 11.034 -5.492 -4.864 282 HA LYS 36 HA LYS 36 10.987 -7.256 -7.024 283 1HB LYS 36 1HB LYS 36 8.884 -7.006 -4.867 284 2HB LYS 36 2HB LYS 36 9.223 -8.428 -5.843 285 1HG LYS 36 1HG LYS 36 11.544 -7.422 -4.387 286 2HG LYS 36 2HG LYS 36 10.214 -7.943 -3.351 287 1HD LYS 36 1HD LYS 36 10.168 -10.107 -4.476 288 2HD LYS 36 2HD LYS 36 11.474 -9.588 -5.545 289 1HE LYS 36 1HE LYS 36 13.058 -9.674 -3.873 290 2HE LYS 36 2HE LYS 36 11.866 -9.472 -2.590 291 1HZ LYS 36 1HZ LYS 36 11.454 -11.874 -4.083 292 2HZ LYS 36 2HZ LYS 36 12.993 -11.825 -3.384 293 3HZ LYS 36 3HZ LYS 36 11.617 -11.660 -2.414 294 H ARG 37 H ARG 37 9.827 -7.381 -8.841 295 HA ARG 37 HA ARG 37 8.240 -5.222 -9.713 296 1HB ARG 37 1HB ARG 37 9.526 -7.201 -10.986 297 2HB ARG 37 2HB ARG 37 7.900 -7.867 -11.018 298 1HG ARG 37 1HG ARG 37 7.934 -5.080 -11.796 299 2HG ARG 37 2HG ARG 37 8.987 -6.067 -12.812 300 1HD ARG 37 1HD ARG 37 6.074 -6.591 -12.224 301 2HD ARG 37 2HD ARG 37 6.731 -5.957 -13.732 302 HE ARG 37 HE ARG 37 6.633 -8.686 -12.924 303 1HH1 ARG 37 1HH1 ARG 37 8.520 -6.376 -14.722 304 2HH1 ARG 37 2HH1 ARG 37 9.227 -7.568 -15.761 305 1HH2 ARG 37 1HH2 ARG 37 7.559 -10.264 -14.287 306 2HH2 ARG 37 2HH2 ARG 37 8.679 -9.778 -15.516 307 H ALA 38 H ALA 38 6.585 -4.896 -8.211 308 HA ALA 38 HA ALA 38 4.410 -6.878 -8.352 309 1HB ALA 38 1HB ALA 38 5.674 -6.702 -6.117 310 2HB ALA 38 2HB ALA 38 4.836 -5.161 -5.932 311 3HB ALA 38 3HB ALA 38 3.911 -6.657 -6.088 312 H ILE 39 H ILE 39 2.704 -5.152 -6.711 313 HA ILE 39 HA ILE 39 2.202 -2.985 -8.647 314 HB ILE 39 HB ILE 39 0.191 -4.728 -7.226 315 1HG1 ILE 39 1HG1 ILE 39 1.406 -5.377 -9.462 316 2HG1 ILE 39 2HG1 ILE 39 -0.329 -5.627 -9.295 317 1HG2 ILE 39 1HG2 ILE 39 -0.168 -2.149 -8.721 318 2HG2 ILE 39 2HG2 ILE 39 -1.477 -3.314 -8.531 319 3HG2 ILE 39 3HG2 ILE 39 -0.741 -2.576 -7.109 320 1HD1 ILE 39 1HD1 ILE 39 0.424 -3.003 -10.350 321 2HD1 ILE 39 2HD1 ILE 39 0.861 -4.371 -11.374 322 3HD1 ILE 39 3HD1 ILE 39 -0.817 -4.136 -10.887 323 H ILE 40 H ILE 40 1.407 -1.030 -7.840 324 HA ILE 40 HA ILE 40 1.848 -0.654 -4.958 325 HB ILE 40 HB ILE 40 1.670 1.556 -6.991 326 1HG1 ILE 40 1HG1 ILE 40 3.449 -0.191 -7.548 327 2HG1 ILE 40 2HG1 ILE 40 4.008 1.468 -7.363 328 1HG2 ILE 40 1HG2 ILE 40 2.663 1.295 -4.176 329 2HG2 ILE 40 2HG2 ILE 40 3.228 2.598 -5.222 330 3HG2 ILE 40 3HG2 ILE 40 1.512 2.450 -4.848 331 1HD1 ILE 40 1HD1 ILE 40 4.200 -0.692 -5.280 332 2HD1 ILE 40 2HD1 ILE 40 5.517 -0.110 -6.300 333 3HD1 ILE 40 3HD1 ILE 40 4.779 0.965 -5.113 334 H LEU 41 H LEU 41 0.143 -0.335 -3.695 335 HA LEU 41 HA LEU 41 -2.377 0.535 -4.940 336 1HB LEU 41 1HB LEU 41 -1.965 -1.033 -2.396 337 2HB LEU 41 2HB LEU 41 -3.517 -0.577 -3.077 338 HG LEU 41 HG LEU 41 -1.520 -2.468 -4.324 339 1HD1 LEU 41 1HD1 LEU 41 -4.126 -2.871 -2.889 340 2HD1 LEU 41 2HD1 LEU 41 -3.447 -4.081 -3.977 341 3HD1 LEU 41 3HD1 LEU 41 -2.555 -3.590 -2.536 342 1HD2 LEU 41 1HD2 LEU 41 -4.152 -1.385 -5.287 343 2HD2 LEU 41 2HD2 LEU 41 -2.594 -1.382 -6.114 344 3HD2 LEU 41 3HD2 LEU 41 -3.471 -2.894 -5.892 345 H GLU 42 H GLU 42 -3.045 2.504 -4.476 346 HA GLU 42 HA GLU 42 -2.112 3.768 -1.984 347 1HB GLU 42 1HB GLU 42 -1.300 4.853 -4.052 348 2HB GLU 42 2HB GLU 42 -2.964 5.098 -4.564 349 1HG GLU 42 1HG GLU 42 -3.335 6.493 -2.559 350 2HG GLU 42 2HG GLU 42 -1.627 6.314 -2.158 351 H THR 43 H THR 43 -3.612 4.208 -0.497 352 HA THR 43 HA THR 43 -6.434 4.071 -1.303 353 HB THR 43 HB THR 43 -6.953 3.479 0.951 354 HG1 THR 43 HG1 THR 43 -5.780 4.190 2.516 355 1HG2 THR 43 1HG2 THR 43 -4.631 2.052 -0.222 356 2HG2 THR 43 2HG2 THR 43 -5.126 1.656 1.423 357 3HG2 THR 43 3HG2 THR 43 -6.272 1.484 0.093 358 H ARG 44 H ARG 44 -7.946 5.483 -0.088 359 HA ARG 44 HA ARG 44 -7.311 8.187 -0.435 360 1HB ARG 44 1HB ARG 44 -9.421 8.489 1.065 361 2HB ARG 44 2HB ARG 44 -9.585 7.748 -0.522 362 1HG ARG 44 1HG ARG 44 -10.396 5.887 0.363 363 2HG ARG 44 2HG ARG 44 -9.023 5.746 1.462 364 1HD ARG 44 1HD ARG 44 -10.657 7.851 2.409 365 2HD ARG 44 2HD ARG 44 -11.714 6.489 2.041 366 HE ARG 44 HE ARG 44 -9.439 5.639 3.505 367 1HH1 ARG 44 1HH1 ARG 44 -12.485 7.289 3.852 368 2HH1 ARG 44 2HH1 ARG 44 -12.683 6.848 5.516 369 1HH2 ARG 44 1HH2 ARG 44 -9.689 5.051 5.696 370 2HH2 ARG 44 2HH2 ARG 44 -11.093 5.576 6.564 371 H GLN 45 H GLN 45 -6.469 6.081 2.066 372 HA GLN 45 HA GLN 45 -6.095 8.278 3.978 373 1HB GLN 45 1HB GLN 45 -7.103 5.739 4.349 374 2HB GLN 45 2HB GLN 45 -5.442 5.577 4.901 375 1HG GLN 45 1HG GLN 45 -5.803 6.787 6.741 376 2HG GLN 45 2HG GLN 45 -6.803 7.965 5.892 377 1HE2 GLN 45 2HE2 GLN 45 -8.257 7.986 7.633 378 2HE2 GLN 45 1HE2 GLN 45 -9.383 6.699 7.882 379 H HIS 46 H HIS 46 -4.422 7.870 1.627 380 HA HIS 46 HA HIS 46 -2.232 7.828 1.011 381 1HB HIS 46 1HB HIS 46 -1.898 8.569 3.922 382 2HB HIS 46 2HB HIS 46 -0.613 8.656 2.724 383 HD1 HIS 46 HD1 HIS 46 -3.495 9.684 0.965 384 HD2 HIS 46 HD2 HIS 46 -1.049 11.488 3.798 385 HE1 HIS 46 HE1 HIS 46 -3.900 12.155 0.727 386 HE2 HIS 46 HE2 HIS 46 -2.471 13.220 2.509 387 H ARG 47 H ARG 47 -3.174 5.322 1.359 388 HA ARG 47 HA ARG 47 -1.122 3.904 2.914 389 1HB ARG 47 1HB ARG 47 -3.679 3.486 3.177 390 2HB ARG 47 2HB ARG 47 -3.514 2.582 1.678 391 1HG ARG 47 1HG ARG 47 -1.505 1.487 3.062 392 2HG ARG 47 2HG ARG 47 -2.570 1.939 4.396 393 1HD ARG 47 1HD ARG 47 -3.522 0.406 1.990 394 2HD ARG 47 2HD ARG 47 -2.895 -0.381 3.437 395 HE ARG 47 HE ARG 47 -5.479 0.763 3.100 396 1HH1 ARG 47 1HH1 ARG 47 -2.959 0.219 5.441 397 2HH1 ARG 47 2HH1 ARG 47 -4.036 0.228 6.796 398 1HH2 ARG 47 1HH2 ARG 47 -6.908 0.777 4.878 399 2HH2 ARG 47 2HH2 ARG 47 -6.281 0.546 6.476 400 H LEU 48 H LEU 48 0.622 3.606 1.663 401 HA LEU 48 HA LEU 48 0.224 2.664 -1.094 402 1HB LEU 48 1HB LEU 48 2.480 4.111 0.259 403 2HB LEU 48 2HB LEU 48 2.737 3.243 -1.243 404 HG LEU 48 HG LEU 48 1.022 5.666 -0.765 405 1HD1 LEU 48 1HD1 LEU 48 3.511 5.022 -2.232 406 2HD1 LEU 48 2HD1 LEU 48 2.412 6.185 -2.971 407 3HD1 LEU 48 3HD1 LEU 48 3.055 6.482 -1.356 408 1HD2 LEU 48 1HD2 LEU 48 0.672 3.522 -2.738 409 2HD2 LEU 48 2HD2 LEU 48 -0.465 4.745 -2.175 410 3HD2 LEU 48 3HD2 LEU 48 0.724 5.152 -3.411 411 H PHE 49 H PHE 49 -0.002 0.484 -0.856 412 HA PHE 49 HA PHE 49 2.207 -0.942 0.474 413 1HB PHE 49 1HB PHE 49 -0.719 -1.538 0.245 414 2HB PHE 49 2HB PHE 49 0.420 -2.871 0.404 415 HD1 PHE 49 HD1 PHE 49 1.844 -3.044 2.428 416 HD2 PHE 49 HD2 PHE 49 -1.277 -0.158 2.089 417 HE1 PHE 49 HE1 PHE 49 1.880 -2.722 4.872 418 HE2 PHE 49 HE2 PHE 49 -1.246 0.169 4.532 419 HZ PHE 49 HZ PHE 49 0.335 -1.114 5.925 420 H CYS 50 H CYS 50 2.663 -3.128 -0.475 421 HA CYS 50 HA CYS 50 2.502 -2.984 -3.412 422 1HB CYS 50 1HB CYS 50 4.678 -3.854 -1.557 423 2HB CYS 50 2HB CYS 50 4.566 -4.606 -3.145 424 H ALA 51 H ALA 51 0.917 -4.299 -4.060 425 HA ALA 51 HA ALA 51 0.679 -6.945 -2.792 426 1HB ALA 51 1HB ALA 51 -1.293 -5.285 -2.856 427 2HB ALA 51 2HB ALA 51 -1.421 -5.740 -4.555 428 3HB ALA 51 3HB ALA 51 -1.590 -6.966 -3.298 429 H ASP 52 H ASP 52 0.558 -8.803 -4.054 430 HA ASP 52 HA ASP 52 1.977 -8.669 -6.550 431 1HB ASP 52 1HB ASP 52 1.598 -10.608 -4.568 432 2HB ASP 52 2HB ASP 52 0.793 -11.256 -5.993 433 HA PRO 53 HA PRO 53 -1.432 -8.162 -9.315 434 1HB PRO 53 1HB PRO 53 0.198 -9.956 -11.050 435 2HB PRO 53 2HB PRO 53 -0.510 -8.378 -11.414 436 1HG PRO 53 1HG PRO 53 2.101 -8.621 -10.949 437 2HG PRO 53 2HG PRO 53 1.195 -7.221 -10.350 438 1HD PRO 53 1HD PRO 53 2.201 -9.606 -8.868 439 2HD PRO 53 2HD PRO 53 2.068 -7.919 -8.336 440 H LYS 54 H LYS 54 -0.097 -11.309 -8.524 441 HA LYS 54 HA LYS 54 -2.084 -12.904 -9.727 442 1HB LYS 54 1HB LYS 54 -1.326 -14.640 -8.055 443 2HB LYS 54 2HB LYS 54 -0.063 -13.967 -9.077 444 1HG LYS 54 1HG LYS 54 0.855 -12.726 -7.335 445 2HG LYS 54 2HG LYS 54 -0.604 -12.854 -6.350 446 1HD LYS 54 1HD LYS 54 1.401 -15.015 -6.973 447 2HD LYS 54 2HD LYS 54 1.025 -14.311 -5.398 448 1HE LYS 54 1HE LYS 54 -0.233 -16.187 -5.213 449 2HE LYS 54 2HE LYS 54 -1.410 -15.185 -6.062 450 1HZ LYS 54 1HZ LYS 54 -0.117 -16.223 -8.123 451 2HZ LYS 54 2HZ LYS 54 0.102 -17.481 -7.014 452 3HZ LYS 54 3HZ LYS 54 -1.460 -16.971 -7.415 453 H GLU 55 H GLU 55 -1.846 -11.421 -6.532 454 HA GLU 55 HA GLU 55 -3.915 -12.631 -5.198 455 1HB GLU 55 1HB GLU 55 -3.395 -9.658 -5.118 456 2HB GLU 55 2HB GLU 55 -4.078 -10.657 -3.843 457 1HG GLU 55 1HG GLU 55 -1.828 -11.912 -3.931 458 2HG GLU 55 2HG GLU 55 -1.249 -10.484 -4.787 459 H GLN 56 H GLN 56 -6.056 -12.757 -5.438 460 HA GLN 56 HA GLN 56 -7.369 -11.819 -7.716 461 1HB GLN 56 1HB GLN 56 -8.030 -13.706 -6.078 462 2HB GLN 56 2HB GLN 56 -8.827 -12.434 -5.162 463 1HG GLN 56 1HG GLN 56 -9.560 -13.663 -7.738 464 2HG GLN 56 2HG GLN 56 -10.580 -13.063 -6.432 465 1HE2 GLN 56 2HE2 GLN 56 -10.599 -10.653 -6.193 466 2HE2 GLN 56 1HE2 GLN 56 -10.634 -9.711 -7.642 467 H TRP 57 H TRP 57 -7.642 -10.622 -4.360 468 HA TRP 57 HA TRP 57 -9.407 -8.557 -4.795 469 1HB TRP 57 1HB TRP 57 -8.737 -7.661 -2.735 470 2HB TRP 57 2HB TRP 57 -8.361 -9.374 -2.591 471 HD1 TRP 57 HD1 TRP 57 -5.654 -9.982 -3.123 472 HE1 TRP 57 HE1 TRP 57 -3.575 -8.663 -2.374 473 HE3 TRP 57 HE3 TRP 57 -7.859 -5.464 -2.178 474 HZ2 TRP 57 HZ2 TRP 57 -2.951 -6.048 -1.494 475 HZ3 TRP 57 HZ3 TRP 57 -6.454 -3.603 -1.382 476 HH2 TRP 57 HH2 TRP 57 -4.049 -3.891 -1.048 477 H VAL 58 H VAL 58 -6.168 -8.827 -5.894 478 HA VAL 58 HA VAL 58 -5.861 -5.972 -6.355 479 HB VAL 58 HB VAL 58 -4.077 -8.310 -7.049 480 1HG1 VAL 58 1HG1 VAL 58 -3.652 -5.356 -7.477 481 2HG1 VAL 58 2HG1 VAL 58 -2.383 -6.575 -7.597 482 3HG1 VAL 58 3HG1 VAL 58 -3.748 -6.610 -8.713 483 1HG2 VAL 58 1HG2 VAL 58 -4.392 -7.526 -4.619 484 2HG2 VAL 58 2HG2 VAL 58 -2.747 -7.702 -5.230 485 3HG2 VAL 58 3HG2 VAL 58 -3.476 -6.101 -5.112 486 H LYS 59 H LYS 59 -6.301 -8.951 -8.212 487 HA LYS 59 HA LYS 59 -6.153 -7.902 -10.789 488 1HB LYS 59 1HB LYS 59 -7.771 -10.182 -9.647 489 2HB LYS 59 2HB LYS 59 -7.740 -9.817 -11.363 490 1HG LYS 59 1HG LYS 59 -5.541 -10.469 -11.603 491 2HG LYS 59 2HG LYS 59 -5.188 -10.258 -9.885 492 1HD LYS 59 1HD LYS 59 -6.349 -12.218 -9.301 493 2HD LYS 59 2HD LYS 59 -7.134 -12.323 -10.875 494 1HE LYS 59 1HE LYS 59 -4.364 -12.335 -11.364 495 2HE LYS 59 2HE LYS 59 -4.633 -13.438 -10.015 496 1HZ LYS 59 1HZ LYS 59 -6.216 -13.557 -12.517 497 2HZ LYS 59 2HZ LYS 59 -4.786 -14.435 -12.299 498 3HZ LYS 59 3HZ LYS 59 -6.116 -14.721 -11.293 499 H ASP 60 H ASP 60 -9.033 -8.438 -8.770 500 HA ASP 60 HA ASP 60 -10.804 -7.084 -10.527 501 1HB ASP 60 1HB ASP 60 -11.733 -8.694 -9.019 502 2HB ASP 60 2HB ASP 60 -11.033 -7.882 -7.621 503 H ALA 61 H ALA 61 -9.080 -6.139 -7.570 504 HA ALA 61 HA ALA 61 -10.164 -3.654 -7.125 505 1HB ALA 61 1HB ALA 61 -7.452 -4.803 -6.676 506 2HB ALA 61 2HB ALA 61 -7.707 -3.081 -6.405 507 3HB ALA 61 3HB ALA 61 -8.653 -4.264 -5.504 508 H MET 62 H MET 62 -7.700 -4.590 -9.471 509 HA MET 62 HA MET 62 -7.159 -1.945 -10.370 510 1HB MET 62 1HB MET 62 -6.624 -4.650 -11.594 511 2HB MET 62 2HB MET 62 -6.106 -3.143 -12.335 512 1HG MET 62 1HG MET 62 -4.956 -2.692 -10.073 513 2HG MET 62 2HG MET 62 -5.160 -4.421 -9.807 514 1HE MET 62 1HE MET 62 -4.886 -5.946 -11.829 515 2HE MET 62 2HE MET 62 -3.602 -5.826 -13.031 516 3HE MET 62 3HE MET 62 -3.222 -6.323 -11.381 517 H GLN 63 H GLN 63 -8.901 -4.641 -11.931 518 HA GLN 63 HA GLN 63 -9.883 -3.290 -14.118 519 1HB GLN 63 1HB GLN 63 -10.165 -5.709 -13.773 520 2HB GLN 63 2HB GLN 63 -11.321 -5.393 -12.485 521 1HG GLN 63 1HG GLN 63 -12.814 -5.713 -14.131 522 2HG GLN 63 2HG GLN 63 -12.477 -4.016 -14.475 523 1HE2 GLN 63 2HE2 GLN 63 -13.436 -5.172 -16.537 524 2HE2 GLN 63 1HE2 GLN 63 -12.241 -5.638 -17.694 525 H HIS 64 H HIS 64 -10.718 -2.946 -10.804 526 HA HIS 64 HA HIS 64 -13.266 -1.717 -11.196 527 1HB HIS 64 1HB HIS 64 -12.582 -2.872 -9.088 528 2HB HIS 64 2HB HIS 64 -11.455 -1.552 -8.782 529 HD1 HIS 64 HD1 HIS 64 -15.189 -2.053 -9.280 530 HD2 HIS 64 HD2 HIS 64 -12.524 0.494 -7.365 531 HE1 HIS 64 HE1 HIS 64 -16.615 -0.483 -7.927 532 HE2 HIS 64 HE2 HIS 64 -14.975 0.993 -6.710 533 H LEU 65 H LEU 65 -10.181 -0.389 -9.999 534 HA LEU 65 HA LEU 65 -10.889 2.295 -10.153 535 1HB LEU 65 1HB LEU 65 -8.285 0.831 -10.200 536 2HB LEU 65 2HB LEU 65 -8.298 2.554 -10.517 537 HG LEU 65 HG LEU 65 -9.025 1.111 -7.989 538 1HD1 LEU 65 1HD1 LEU 65 -6.682 1.995 -8.602 539 2HD1 LEU 65 2HD1 LEU 65 -7.372 3.589 -8.292 540 3HD1 LEU 65 3HD1 LEU 65 -7.343 2.376 -7.012 541 1HD2 LEU 65 1HD2 LEU 65 -10.088 3.681 -9.010 542 2HD2 LEU 65 2HD2 LEU 65 -10.812 2.510 -7.906 543 3HD2 LEU 65 3HD2 LEU 65 -9.582 3.629 -7.321 544 H ASP 66 H ASP 66 -10.240 0.078 -12.661 545 HA ASP 66 HA ASP 66 -9.255 1.827 -14.647 546 1HB ASP 66 1HB ASP 66 -10.501 -0.877 -14.615 547 2HB ASP 66 2HB ASP 66 -10.467 -0.015 -16.151 548 H ARG 67 H ARG 67 -12.436 1.213 -13.404 549 HA ARG 67 HA ARG 67 -13.595 2.923 -15.502 550 1HB ARG 67 1HB ARG 67 -14.495 0.482 -14.249 551 2HB ARG 67 2HB ARG 67 -15.678 1.762 -14.016 552 1HG ARG 67 1HG ARG 67 -16.293 0.661 -15.997 553 2HG ARG 67 2HG ARG 67 -15.535 2.172 -16.504 554 1HD ARG 67 1HD ARG 67 -13.609 0.023 -16.231 555 2HD ARG 67 2HD ARG 67 -14.889 -0.378 -17.375 556 HE ARG 67 HE ARG 67 -14.170 2.110 -18.129 557 1HH1 ARG 67 1HH1 ARG 67 -12.361 -0.800 -17.512 558 2HH1 ARG 67 2HH1 ARG 67 -11.114 -0.421 -18.650 559 1HH2 ARG 67 1HH2 ARG 67 -12.531 2.620 -19.633 560 2HH2 ARG 67 2HH2 ARG 67 -11.209 1.525 -19.856 561 H GLN 68 H GLN 68 -12.167 3.629 -12.920 562 HA GLN 68 HA GLN 68 -14.331 5.206 -11.691 563 1HB GLN 68 1HB GLN 68 -12.227 3.601 -10.545 564 2HB GLN 68 2HB GLN 68 -12.084 5.268 -10.002 565 1HG GLN 68 1HG GLN 68 -13.432 4.261 -8.402 566 2HG GLN 68 2HG GLN 68 -14.571 5.110 -9.446 567 1HE2 GLN 68 2HE2 GLN 68 -12.908 1.975 -9.582 568 2HE2 GLN 68 1HE2 GLN 68 -14.335 1.039 -9.851 569 H ALA 69 H ALA 69 -10.802 5.368 -12.212 570 HA ALA 69 HA ALA 69 -10.383 8.040 -11.841 571 1HB ALA 69 1HB ALA 69 -8.605 6.410 -12.307 572 2HB ALA 69 2HB ALA 69 -9.107 6.360 -13.996 573 3HB ALA 69 3HB ALA 69 -8.460 7.852 -13.312 574 H ALA 70 H ALA 70 -11.247 6.508 -14.943 575 HA ALA 70 HA ALA 70 -11.363 8.713 -16.564 576 1HB ALA 70 1HB ALA 70 -11.839 6.201 -17.052 577 2HB ALA 70 2HB ALA 70 -13.520 6.655 -16.773 578 3HB ALA 70 3HB ALA 70 -12.594 7.445 -18.050 579 H ALA 71 H ALA 71 -14.075 7.406 -14.651 580 HA ALA 71 HA ALA 71 -16.016 9.238 -15.258 581 1HB ALA 71 1HB ALA 71 -15.433 7.613 -12.836 582 2HB ALA 71 2HB ALA 71 -16.690 8.845 -12.742 583 3HB ALA 71 3HB ALA 71 -16.812 7.551 -13.933 584 H LEU 72 H LEU 72 -16.909 10.947 -13.715 585 HA LEU 72 HA LEU 72 -16.714 13.030 -12.827 586 1HB LEU 72 1HB LEU 72 -14.479 11.530 -11.541 587 2HB LEU 72 2HB LEU 72 -14.573 13.264 -11.303 588 HG LEU 72 HG LEU 72 -15.656 12.277 -9.443 589 1HD1 LEU 72 1HD1 LEU 72 -16.828 14.186 -10.580 590 2HD1 LEU 72 2HD1 LEU 72 -17.903 12.993 -11.311 591 3HD1 LEU 72 3HD1 LEU 72 -17.847 13.175 -9.556 592 1HD2 LEU 72 1HD2 LEU 72 -16.539 10.330 -11.425 593 2HD2 LEU 72 2HD2 LEU 72 -16.281 10.147 -9.690 594 3HD2 LEU 72 3HD2 LEU 72 -17.805 10.803 -10.291 595 H THR 73 H THR 73 -13.244 12.360 -13.158 596 HA THR 73 HA THR 73 -13.078 14.632 -15.023 597 HB THR 73 HB THR 73 -11.895 15.175 -13.024 598 HG1 THR 73 HG1 THR 73 -9.844 15.455 -13.838 599 1HG2 THR 73 1HG2 THR 73 -11.641 12.952 -12.063 600 2HG2 THR 73 2HG2 THR 73 -10.429 12.561 -13.281 601 3HG2 THR 73 3HG2 THR 73 -10.107 13.823 -12.093 602 H ARG 74 H ARG 74 -12.801 13.998 -17.050 603 HA ARG 74 HA ARG 74 -11.609 11.420 -17.646 604 1HB ARG 74 1HB ARG 74 -12.357 11.760 -19.890 605 2HB ARG 74 2HB ARG 74 -13.655 12.275 -18.822 606 1HG ARG 74 1HG ARG 74 -11.879 14.462 -19.478 607 2HG ARG 74 2HG ARG 74 -12.567 13.709 -20.918 608 1HD ARG 74 1HD ARG 74 -14.690 13.895 -19.129 609 2HD ARG 74 2HD ARG 74 -13.817 15.416 -18.947 610 HE ARG 74 HE ARG 74 -15.390 14.598 -21.182 611 1HH1 ARG 74 1HH1 ARG 74 -12.616 16.481 -20.244 612 2HH1 ARG 74 2HH1 ARG 74 -12.727 17.558 -21.594 613 1HH2 ARG 74 1HH2 ARG 74 -15.546 16.011 -22.968 614 2HH2 ARG 74 2HH2 ARG 74 -14.394 17.291 -23.143 615 H ASN 75 H ASN 75 -9.721 12.964 -16.482 616 HA ASN 75 HA ASN 75 -7.936 13.598 -18.734 617 1HB ASN 75 1HB ASN 75 -8.905 15.448 -16.879 618 2HB ASN 75 2HB ASN 75 -7.274 15.081 -16.326 619 1HD2 ASN 75 2HD2 ASN 75 -9.026 15.784 -19.329 620 2HD2 ASN 75 1HD2 ASN 75 -7.804 16.801 -20.004 621 H GLY 76 H GLY 76 -7.582 11.192 -18.157 622 1HA GLY 76 1HA GLY 76 -6.176 10.527 -15.787 623 2HA GLY 76 2HA GLY 76 -6.237 9.561 -17.254 Start of MODEL 2 1 2H MET 0 2H MET 0 23.129 9.048 -3.420 2 3H MET 0 3H MET 0 22.657 9.592 -1.865 3 1H MET 0 1H MET 0 22.725 10.698 -3.175 4 HA MET 0 HA MET 0 24.959 9.325 -1.846 5 1HB MET 0 1HB MET 0 24.644 10.398 -4.547 6 2HB MET 0 2HB MET 0 25.982 11.136 -3.675 7 1HG MET 0 1HG MET 0 26.403 8.527 -3.119 8 2HG MET 0 2HG MET 0 25.674 8.410 -4.720 9 1HE MET 0 1HE MET 0 28.383 7.409 -3.826 10 2HE MET 0 2HE MET 0 29.768 8.198 -4.582 11 3HE MET 0 3HE MET 0 29.184 8.754 -3.013 12 H GLN 1 H GLN 1 26.283 10.714 -0.661 13 HA GLN 1 HA GLN 1 26.442 12.335 0.976 14 1HB GLN 1 1HB GLN 1 27.107 14.424 0.051 15 2HB GLN 1 2HB GLN 1 27.603 13.186 -1.095 16 1HG GLN 1 1HG GLN 1 26.373 14.069 -2.714 17 2HG GLN 1 2HG GLN 1 24.948 14.164 -1.679 18 1HE2 GLN 1 2HE2 GLN 1 24.182 16.137 -1.577 19 2HE2 GLN 1 1HE2 GLN 1 25.104 17.597 -1.544 20 H HIS 2 H HIS 2 23.793 11.470 0.832 21 HA HIS 2 HA HIS 2 22.428 13.892 1.715 22 1HB HIS 2 1HB HIS 2 21.831 12.544 -0.760 23 2HB HIS 2 2HB HIS 2 20.455 12.428 0.333 24 HD1 HIS 2 HD1 HIS 2 21.980 14.638 -2.073 25 HD2 HIS 2 HD2 HIS 2 19.635 15.099 1.326 26 HE1 HIS 2 HE1 HIS 2 21.026 16.961 -2.223 27 HE2 HIS 2 HE2 HIS 2 19.692 17.251 -0.107 28 H HIS 3 H HIS 3 21.670 10.463 1.074 29 HA HIS 3 HA HIS 3 21.614 9.641 3.739 30 1HB HIS 3 1HB HIS 3 19.181 9.514 4.153 31 2HB HIS 3 2HB HIS 3 19.744 11.177 4.020 32 HD1 HIS 3 HD1 HIS 3 19.605 9.934 0.690 33 HD2 HIS 3 HD2 HIS 3 16.780 11.291 3.420 34 HE1 HIS 3 HE1 HIS 3 17.581 10.532 -0.678 35 HE2 HIS 3 HE2 HIS 3 15.849 11.246 1.006 36 H GLY 4 H GLY 4 22.660 8.355 1.729 37 1HA GLY 4 1HA GLY 4 22.475 5.931 1.434 38 2HA GLY 4 2HA GLY 4 20.755 6.168 1.164 39 H VAL 5 H VAL 5 22.179 4.722 -0.639 40 HA VAL 5 HA VAL 5 22.527 6.561 -2.914 41 HB VAL 5 HB VAL 5 23.925 4.864 -3.965 42 1HG1 VAL 5 1HG1 VAL 5 24.612 6.439 -1.797 43 2HG1 VAL 5 2HG1 VAL 5 25.302 4.861 -1.414 44 3HG1 VAL 5 3HG1 VAL 5 25.726 5.666 -2.926 45 1HG2 VAL 5 1HG2 VAL 5 22.649 3.024 -2.541 46 2HG2 VAL 5 2HG2 VAL 5 24.270 2.754 -3.183 47 3HG2 VAL 5 3HG2 VAL 5 24.056 3.225 -1.496 48 H THR 6 H THR 6 19.972 6.068 -2.449 49 HA THR 6 HA THR 6 19.243 4.021 -4.439 50 HB THR 6 HB THR 6 17.043 4.567 -2.694 51 HG1 THR 6 HG1 THR 6 17.858 4.156 -0.742 52 1HG2 THR 6 1HG2 THR 6 18.539 2.249 -3.651 53 2HG2 THR 6 2HG2 THR 6 17.833 2.053 -2.046 54 3HG2 THR 6 3HG2 THR 6 16.805 2.472 -3.417 55 H LYS 7 H LYS 7 16.511 4.657 -4.536 56 HA LYS 7 HA LYS 7 15.857 7.327 -4.846 57 1HB LYS 7 1HB LYS 7 17.694 7.201 -6.584 58 2HB LYS 7 2HB LYS 7 16.646 6.126 -7.499 59 1HG LYS 7 1HG LYS 7 16.039 8.050 -8.496 60 2HG LYS 7 2HG LYS 7 14.951 8.163 -7.112 61 1HD LYS 7 1HD LYS 7 17.644 9.228 -6.637 62 2HD LYS 7 2HD LYS 7 16.720 10.093 -7.867 63 1HE LYS 7 1HE LYS 7 14.810 10.018 -6.108 64 2HE LYS 7 2HE LYS 7 16.113 9.704 -4.963 65 1HZ LYS 7 1HZ LYS 7 16.008 12.038 -6.795 66 2HZ LYS 7 2HZ LYS 7 15.554 12.075 -5.166 67 3HZ LYS 7 3HZ LYS 7 17.161 11.756 -5.591 68 H CYS 8 H CYS 8 14.543 5.123 -3.931 69 HA CYS 8 HA CYS 8 12.305 4.955 -5.818 70 1HB CYS 8 1HB CYS 8 12.529 2.497 -4.323 71 2HB CYS 8 2HB CYS 8 12.437 2.735 -6.063 72 H ASN 9 H ASN 9 11.212 6.473 -4.559 73 HA ASN 9 HA ASN 9 10.857 6.823 -1.953 74 1HB ASN 9 1HB ASN 9 8.723 7.711 -2.358 75 2HB ASN 9 2HB ASN 9 9.541 7.854 -3.912 76 1HD2 ASN 9 2HD2 ASN 9 8.823 6.696 -5.638 77 2HD2 ASN 9 1HD2 ASN 9 7.377 5.750 -5.617 78 H ILE 10 H ILE 10 9.279 4.201 -3.754 79 HA ILE 10 HA ILE 10 8.832 2.835 -1.183 80 HB ILE 10 HB ILE 10 6.708 3.750 -2.096 81 1HG1 ILE 10 1HG1 ILE 10 6.486 0.784 -2.311 82 2HG1 ILE 10 2HG1 ILE 10 7.115 1.460 -0.811 83 1HG2 ILE 10 1HG2 ILE 10 7.593 3.151 -4.522 84 2HG2 ILE 10 2HG2 ILE 10 6.693 1.668 -4.209 85 3HG2 ILE 10 3HG2 ILE 10 5.871 3.226 -4.149 86 1HD1 ILE 10 1HD1 ILE 10 4.479 2.183 -2.062 87 2HD1 ILE 10 2HD1 ILE 10 4.706 1.055 -0.725 88 3HD1 ILE 10 3HD1 ILE 10 5.108 2.759 -0.518 89 H THR 11 H THR 11 9.303 0.691 -1.115 90 HA THR 11 HA THR 11 10.149 -0.590 -3.628 91 HB THR 11 HB THR 11 12.129 0.043 -2.349 92 HG1 THR 11 HG1 THR 11 13.076 -1.956 -2.345 93 1HG2 THR 11 1HG2 THR 11 10.610 -0.981 -0.098 94 2HG2 THR 11 2HG2 THR 11 12.246 -1.634 -0.184 95 3HG2 THR 11 3HG2 THR 11 11.995 0.111 -0.135 96 H CYS 12 H CYS 12 9.262 -2.518 -4.019 97 HA CYS 12 HA CYS 12 7.343 -3.598 -2.180 98 1HB CYS 12 1HB CYS 12 8.334 -4.568 -4.866 99 2HB CYS 12 2HB CYS 12 7.046 -5.349 -3.955 100 H SER 13 H SER 13 8.762 -4.086 -0.399 101 HA SER 13 HA SER 13 10.843 -6.026 -0.663 102 1HB SER 13 1HB SER 13 11.079 -4.528 1.154 103 2HB SER 13 2HB SER 13 9.426 -4.807 1.703 104 HG SER 13 HG SER 13 11.715 -6.254 2.188 105 H LYS 14 H LYS 14 7.504 -6.116 0.525 106 HA LYS 14 HA LYS 14 7.442 -8.986 -0.011 107 1HB LYS 14 1HB LYS 14 6.693 -7.734 2.635 108 2HB LYS 14 2HB LYS 14 6.257 -9.371 2.168 109 1HG LYS 14 1HG LYS 14 9.120 -8.563 2.069 110 2HG LYS 14 2HG LYS 14 8.373 -8.906 3.631 111 1HD LYS 14 1HD LYS 14 8.728 -11.069 3.254 112 2HD LYS 14 2HD LYS 14 7.563 -10.979 1.931 113 1HE LYS 14 1HE LYS 14 9.465 -10.223 0.462 114 2HE LYS 14 2HE LYS 14 10.552 -10.633 1.788 115 1HZ LYS 14 1HZ LYS 14 8.645 -12.670 0.910 116 2HZ LYS 14 2HZ LYS 14 9.966 -12.348 -0.098 117 3HZ LYS 14 3HZ LYS 14 10.222 -12.848 1.497 118 H MET 15 H MET 15 4.973 -9.644 0.797 119 HA MET 15 HA MET 15 3.261 -7.826 -0.761 120 1HB MET 15 1HB MET 15 3.124 -10.803 -0.298 121 2HB MET 15 2HB MET 15 1.783 -9.889 -0.976 122 1HG MET 15 1HG MET 15 3.108 -10.958 -2.712 123 2HG MET 15 2HG MET 15 3.166 -9.200 -2.845 124 1HE MET 15 1HE MET 15 4.970 -7.974 -3.224 125 2HE MET 15 2HE MET 15 6.675 -8.418 -3.135 126 3HE MET 15 3HE MET 15 5.635 -9.148 -4.360 127 H THR 16 H THR 16 0.967 -7.738 -0.105 128 HA THR 16 HA THR 16 0.732 -7.795 2.830 129 HB THR 16 HB THR 16 0.596 -5.563 1.613 130 HG1 THR 16 HG1 THR 16 -1.073 -4.871 2.958 131 1HG2 THR 16 1HG2 THR 16 -1.090 -6.728 -0.106 132 2HG2 THR 16 2HG2 THR 16 -2.248 -6.064 1.046 133 3HG2 THR 16 3HG2 THR 16 -1.094 -4.999 0.243 134 H SER 17 H SER 17 -1.967 -7.514 3.117 135 HA SER 17 HA SER 17 -2.943 -10.089 2.090 136 1HB SER 17 1HB SER 17 -4.208 -8.577 4.361 137 2HB SER 17 2HB SER 17 -4.252 -10.308 4.024 138 HG SER 17 HG SER 17 -2.499 -8.919 5.515 139 H LYS 18 H LYS 18 -5.576 -9.961 2.302 140 HA LYS 18 HA LYS 18 -6.368 -8.419 0.068 141 1HB LYS 18 1HB LYS 18 -7.384 -10.604 0.958 142 2HB LYS 18 2HB LYS 18 -8.271 -9.587 2.086 143 1HG LYS 18 1HG LYS 18 -8.493 -8.625 -0.634 144 2HG LYS 18 2HG LYS 18 -9.049 -10.291 -0.470 145 1HD LYS 18 1HD LYS 18 -10.354 -9.443 1.572 146 2HD LYS 18 2HD LYS 18 -10.050 -7.829 0.922 147 1HE LYS 18 1HE LYS 18 -12.204 -8.600 0.166 148 2HE LYS 18 2HE LYS 18 -11.097 -8.526 -1.203 149 1HZ LYS 18 1HZ LYS 18 -10.926 -11.081 -0.074 150 2HZ LYS 18 2HZ LYS 18 -12.566 -10.722 -0.281 151 3HZ LYS 18 3HZ LYS 18 -11.512 -10.650 -1.601 152 H ILE 19 H ILE 19 -7.701 -6.614 -0.082 153 HA ILE 19 HA ILE 19 -8.467 -5.216 2.352 154 HB ILE 19 HB ILE 19 -6.891 -3.685 0.304 155 1HG1 ILE 19 1HG1 ILE 19 -5.776 -4.961 2.812 156 2HG1 ILE 19 2HG1 ILE 19 -5.473 -5.534 1.174 157 1HG2 ILE 19 1HG2 ILE 19 -7.790 -3.217 3.127 158 2HG2 ILE 19 2HG2 ILE 19 -6.497 -2.266 2.396 159 3HG2 ILE 19 3HG2 ILE 19 -8.112 -2.251 1.687 160 1HD1 ILE 19 1HD1 ILE 19 -4.696 -2.832 2.244 161 2HD1 ILE 19 2HD1 ILE 19 -3.618 -4.214 2.055 162 3HD1 ILE 19 3HD1 ILE 19 -4.343 -3.463 0.635 163 HA PRO 20 HA PRO 20 -12.043 -4.232 -0.026 164 1HB PRO 20 1HB PRO 20 -12.082 -1.680 1.469 165 2HB PRO 20 2HB PRO 20 -13.310 -2.939 1.369 166 1HG PRO 20 1HG PRO 20 -11.838 -2.587 3.573 167 2HG PRO 20 2HG PRO 20 -12.337 -4.193 3.026 168 1HD PRO 20 1HD PRO 20 -9.677 -2.862 2.807 169 2HD PRO 20 2HD PRO 20 -10.063 -4.566 3.116 170 H VAL 21 H VAL 21 -12.187 -3.434 -2.023 171 HA VAL 21 HA VAL 21 -10.258 -1.689 -3.120 172 HB VAL 21 HB VAL 21 -11.665 -3.379 -4.389 173 1HG1 VAL 21 1HG1 VAL 21 -13.838 -2.649 -3.461 174 2HG1 VAL 21 2HG1 VAL 21 -13.687 -1.142 -4.364 175 3HG1 VAL 21 3HG1 VAL 21 -13.819 -2.676 -5.224 176 1HG2 VAL 21 1HG2 VAL 21 -11.421 -0.558 -5.427 177 2HG2 VAL 21 2HG2 VAL 21 -10.231 -1.853 -5.568 178 3HG2 VAL 21 3HG2 VAL 21 -11.765 -1.967 -6.431 179 H ALA 22 H ALA 22 -13.172 -1.133 -1.401 180 HA ALA 22 HA ALA 22 -13.832 1.423 -2.439 181 1HB ALA 22 1HB ALA 22 -15.449 0.067 -1.219 182 2HB ALA 22 2HB ALA 22 -14.483 0.217 0.249 183 3HB ALA 22 3HB ALA 22 -15.246 1.643 -0.454 184 H LEU 23 H LEU 23 -11.184 0.428 -0.690 185 HA LEU 23 HA LEU 23 -10.853 3.026 0.640 186 1HB LEU 23 1HB LEU 23 -9.479 0.371 1.028 187 2HB LEU 23 2HB LEU 23 -8.910 1.855 1.771 188 HG LEU 23 HG LEU 23 -10.414 0.239 3.135 189 1HD1 LEU 23 1HD1 LEU 23 -10.562 3.210 2.963 190 2HD1 LEU 23 2HD1 LEU 23 -11.630 2.355 4.077 191 3HD1 LEU 23 3HD1 LEU 23 -9.881 2.186 4.227 192 1HD2 LEU 23 1HD2 LEU 23 -12.125 0.186 1.250 193 2HD2 LEU 23 2HD2 LEU 23 -12.738 0.427 2.886 194 3HD2 LEU 23 3HD2 LEU 23 -12.594 1.799 1.786 195 H LEU 24 H LEU 24 -9.842 1.201 -2.043 196 HA LEU 24 HA LEU 24 -7.262 2.459 -2.340 197 1HB LEU 24 1HB LEU 24 -8.903 0.671 -4.124 198 2HB LEU 24 2HB LEU 24 -7.365 1.351 -4.624 199 HG LEU 24 HG LEU 24 -7.785 -0.493 -2.267 200 1HD1 LEU 24 1HD1 LEU 24 -7.319 -0.970 -5.091 201 2HD1 LEU 24 2HD1 LEU 24 -6.076 -1.692 -4.070 202 3HD1 LEU 24 3HD1 LEU 24 -7.772 -2.096 -3.812 203 1HD2 LEU 24 1HD2 LEU 24 -5.392 0.945 -3.348 204 2HD2 LEU 24 2HD2 LEU 24 -5.949 0.802 -1.681 205 3HD2 LEU 24 3HD2 LEU 24 -5.216 -0.585 -2.487 206 H ILE 25 H ILE 25 -6.727 4.147 -3.661 207 HA ILE 25 HA ILE 25 -8.953 5.477 -5.063 208 HB ILE 25 HB ILE 25 -7.825 7.640 -4.581 209 1HG1 ILE 25 1HG1 ILE 25 -6.212 6.098 -2.547 210 2HG1 ILE 25 2HG1 ILE 25 -5.576 6.534 -4.129 211 1HG2 ILE 25 1HG2 ILE 25 -9.706 6.659 -3.216 212 2HG2 ILE 25 2HG2 ILE 25 -8.483 6.169 -2.043 213 3HG2 ILE 25 3HG2 ILE 25 -8.723 7.878 -2.406 214 1HD1 ILE 25 1HD1 ILE 25 -6.495 8.929 -3.247 215 2HD1 ILE 25 2HD1 ILE 25 -5.975 8.170 -1.742 216 3HD1 ILE 25 3HD1 ILE 25 -4.836 8.356 -3.075 217 H HIS 26 H HIS 26 -5.525 4.698 -5.046 218 HA HIS 26 HA HIS 26 -5.474 5.016 -7.936 219 1HB HIS 26 1HB HIS 26 -4.019 6.773 -6.046 220 2HB HIS 26 2HB HIS 26 -3.104 6.193 -7.435 221 HD1 HIS 26 HD1 HIS 26 -3.357 7.511 -9.518 222 HD2 HIS 26 HD2 HIS 26 -6.508 8.141 -6.883 223 HE1 HIS 26 HE1 HIS 26 -4.758 9.318 -10.564 224 HE2 HIS 26 HE2 HIS 26 -6.714 9.606 -9.005 225 H TYR 27 H TYR 27 -3.806 3.875 -8.965 226 HA TYR 27 HA TYR 27 -2.144 2.163 -7.256 227 1HB TYR 27 1HB TYR 27 -2.775 0.181 -8.309 228 2HB TYR 27 2HB TYR 27 -4.305 1.041 -8.167 229 HD1 TYR 27 HD1 TYR 27 -1.497 0.451 -10.556 230 HD2 TYR 27 HD2 TYR 27 -5.634 1.348 -10.055 231 HE1 TYR 27 HE1 TYR 27 -1.833 0.239 -12.987 232 HE2 TYR 27 HE2 TYR 27 -5.981 1.138 -12.484 233 HH TYR 27 HH TYR 27 -4.482 -0.308 -14.441 234 H GLN 28 H GLN 28 -0.126 1.711 -8.049 235 HA GLN 28 HA GLN 28 0.522 2.728 -10.725 236 1HB GLN 28 1HB GLN 28 2.824 3.169 -9.244 237 2HB GLN 28 2HB GLN 28 1.691 4.392 -9.800 238 1HG GLN 28 1HG GLN 28 0.954 3.037 -7.305 239 2HG GLN 28 2HG GLN 28 2.407 4.029 -7.228 240 1HE2 GLN 28 2HE2 GLN 28 -0.015 4.527 -5.848 241 2HE2 GLN 28 1HE2 GLN 28 -0.648 6.029 -6.421 242 H GLN 29 H GLN 29 2.607 1.893 -11.564 243 HA GLN 29 HA GLN 29 2.865 -0.931 -10.876 244 1HB GLN 29 1HB GLN 29 2.931 0.526 -13.294 245 2HB GLN 29 2HB GLN 29 4.550 -0.124 -13.061 246 1HG GLN 29 1HG GLN 29 3.641 -1.877 -14.150 247 2HG GLN 29 2HG GLN 29 3.163 -2.320 -12.512 248 1HE2 GLN 29 2HE2 GLN 29 1.481 -3.559 -13.516 249 2HE2 GLN 29 1HE2 GLN 29 0.026 -2.784 -14.031 250 H ASN 30 H ASN 30 4.467 -1.648 -9.644 251 HA ASN 30 HA ASN 30 6.323 -0.199 -8.314 252 1HB ASN 30 1HB ASN 30 6.085 -2.453 -7.675 253 2HB ASN 30 2HB ASN 30 6.437 -3.041 -9.299 254 1HD2 ASN 30 1HD2 ASN 30 7.772 -1.794 -6.346 255 2HD2 ASN 30 2HD2 ASN 30 9.414 -2.216 -6.673 256 H GLN 31 H GLN 31 8.221 0.783 -8.707 257 HA GLN 31 HA GLN 31 9.044 1.275 -11.363 258 1HB GLN 31 1HB GLN 31 10.171 1.895 -8.660 259 2HB GLN 31 2HB GLN 31 11.159 2.167 -10.088 260 1HG GLN 31 1HG GLN 31 9.930 3.929 -10.777 261 2HG GLN 31 2HG GLN 31 8.420 3.257 -10.164 262 1HE2 GLN 31 2HE2 GLN 31 8.488 5.734 -9.662 263 2HE2 GLN 31 1HE2 GLN 31 8.991 6.122 -8.055 264 H ALA 32 H ALA 32 9.965 -0.182 -12.644 265 HA ALA 32 HA ALA 32 11.165 -2.563 -11.859 266 1HB ALA 32 1HB ALA 32 10.360 -2.163 -14.126 267 2HB ALA 32 2HB ALA 32 11.655 -0.995 -14.389 268 3HB ALA 32 3HB ALA 32 12.041 -2.698 -14.139 269 H SER 33 H SER 33 12.558 -1.952 -10.101 270 HA SER 33 HA SER 33 15.259 -1.918 -10.724 271 1HB SER 33 1HB SER 33 15.852 0.416 -9.950 272 2HB SER 33 2HB SER 33 15.058 0.332 -11.522 273 HG SER 33 HG SER 33 13.613 1.608 -10.718 274 H CYS 34 H CYS 34 12.850 -0.778 -8.396 275 HA CYS 34 HA CYS 34 14.563 -1.768 -6.218 276 1HB CYS 34 1HB CYS 34 12.969 0.609 -6.514 277 2HB CYS 34 2HB CYS 34 12.413 -0.321 -5.127 278 H GLY 35 H GLY 35 13.733 -3.164 -4.670 279 1HA GLY 35 1HA GLY 35 12.471 -4.931 -3.926 280 2HA GLY 35 2HA GLY 35 11.087 -3.926 -4.325 281 H LYS 36 H LYS 36 10.171 -6.123 -4.743 282 HA LYS 36 HA LYS 36 11.041 -7.398 -7.201 283 1HB LYS 36 1HB LYS 36 8.918 -8.042 -5.167 284 2HB LYS 36 2HB LYS 36 9.057 -8.925 -6.677 285 1HG LYS 36 1HG LYS 36 10.592 -10.227 -5.780 286 2HG LYS 36 2HG LYS 36 11.615 -8.823 -5.491 287 1HD LYS 36 1HD LYS 36 9.373 -9.341 -3.610 288 2HD LYS 36 2HD LYS 36 10.805 -10.368 -3.509 289 1HE LYS 36 1HE LYS 36 11.282 -7.458 -3.681 290 2HE LYS 36 2HE LYS 36 10.553 -8.045 -2.186 291 1HZ LYS 36 1HZ LYS 36 12.967 -9.321 -3.314 292 2HZ LYS 36 2HZ LYS 36 13.083 -7.951 -2.329 293 3HZ LYS 36 3HZ LYS 36 12.389 -9.370 -1.725 294 H ARG 37 H ARG 37 9.591 -7.798 -8.981 295 HA ARG 37 HA ARG 37 8.232 -5.468 -9.831 296 1HB ARG 37 1HB ARG 37 9.181 -6.805 -11.527 297 2HB ARG 37 2HB ARG 37 8.414 -8.266 -10.921 298 1HG ARG 37 1HG ARG 37 6.449 -7.834 -11.958 299 2HG ARG 37 2HG ARG 37 6.626 -6.085 -11.806 300 1HD ARG 37 1HD ARG 37 7.542 -5.913 -13.833 301 2HD ARG 37 2HD ARG 37 8.664 -7.233 -13.515 302 HE ARG 37 HE ARG 37 7.339 -8.514 -14.842 303 1HH1 ARG 37 1HH1 ARG 37 5.346 -6.083 -13.344 304 2HH1 ARG 37 2HH1 ARG 37 3.890 -6.610 -14.120 305 1HH2 ARG 37 1HH2 ARG 37 5.429 -9.219 -15.871 306 2HH2 ARG 37 2HH2 ARG 37 3.938 -8.394 -15.557 307 H ALA 38 H ALA 38 6.670 -5.052 -8.212 308 HA ALA 38 HA ALA 38 4.300 -6.796 -8.382 309 1HB ALA 38 1HB ALA 38 5.538 -6.862 -6.174 310 2HB ALA 38 2HB ALA 38 5.029 -5.190 -5.947 311 3HB ALA 38 3HB ALA 38 3.822 -6.467 -6.094 312 H ILE 39 H ILE 39 2.699 -5.042 -6.773 313 HA ILE 39 HA ILE 39 2.456 -2.716 -8.566 314 HB ILE 39 HB ILE 39 0.195 -4.315 -7.359 315 1HG1 ILE 39 1HG1 ILE 39 1.591 -5.159 -9.432 316 2HG1 ILE 39 2HG1 ILE 39 -0.166 -5.282 -9.424 317 1HG2 ILE 39 1HG2 ILE 39 -0.201 -1.861 -7.531 318 2HG2 ILE 39 2HG2 ILE 39 0.039 -1.994 -9.273 319 3HG2 ILE 39 3HG2 ILE 39 -1.302 -2.840 -8.501 320 1HD1 ILE 39 1HD1 ILE 39 -0.265 -3.165 -10.704 321 2HD1 ILE 39 2HD1 ILE 39 1.496 -3.186 -10.798 322 3HD1 ILE 39 3HD1 ILE 39 0.556 -4.473 -11.555 323 H ILE 40 H ILE 40 1.698 -0.786 -7.656 324 HA ILE 40 HA ILE 40 1.990 -0.650 -4.734 325 HB ILE 40 HB ILE 40 2.058 1.684 -6.639 326 1HG1 ILE 40 1HG1 ILE 40 3.828 0.111 -7.274 327 2HG1 ILE 40 2HG1 ILE 40 4.512 1.553 -6.529 328 1HG2 ILE 40 1HG2 ILE 40 1.697 1.840 -4.055 329 2HG2 ILE 40 2HG2 ILE 40 3.438 1.559 -3.999 330 3HG2 ILE 40 3HG2 ILE 40 2.798 2.952 -4.871 331 1HD1 ILE 40 1HD1 ILE 40 3.967 -0.843 -4.849 332 2HD1 ILE 40 2HD1 ILE 40 5.393 -0.801 -5.885 333 3HD1 ILE 40 3HD1 ILE 40 5.170 0.429 -4.642 334 H LEU 41 H LEU 41 0.184 -0.479 -3.594 335 HA LEU 41 HA LEU 41 -2.211 0.620 -4.891 336 1HB LEU 41 1HB LEU 41 -1.855 -1.234 -2.547 337 2HB LEU 41 2HB LEU 41 -3.395 -0.491 -2.939 338 HG LEU 41 HG LEU 41 -1.863 -2.551 -4.496 339 1HD1 LEU 41 1HD1 LEU 41 -4.157 -2.524 -2.792 340 2HD1 LEU 41 2HD1 LEU 41 -4.634 -3.020 -4.416 341 3HD1 LEU 41 3HD1 LEU 41 -3.360 -3.894 -3.565 342 1HD2 LEU 41 1HD2 LEU 41 -3.697 -0.465 -5.506 343 2HD2 LEU 41 2HD2 LEU 41 -2.401 -1.333 -6.328 344 3HD2 LEU 41 3HD2 LEU 41 -3.968 -2.108 -6.087 345 H GLU 42 H GLU 42 -3.060 2.482 -4.243 346 HA GLU 42 HA GLU 42 -2.154 3.620 -1.680 347 1HB GLU 42 1HB GLU 42 -1.313 4.713 -3.855 348 2HB GLU 42 2HB GLU 42 -2.968 5.277 -4.060 349 1HG GLU 42 1HG GLU 42 -2.848 6.708 -2.263 350 2HG GLU 42 2HG GLU 42 -1.543 5.804 -1.495 351 H THR 43 H THR 43 -3.698 4.249 -0.286 352 HA THR 43 HA THR 43 -6.489 4.050 -1.192 353 HB THR 43 HB THR 43 -7.071 3.671 1.136 354 HG1 THR 43 HG1 THR 43 -5.044 5.003 1.756 355 1HG2 THR 43 1HG2 THR 43 -4.706 1.987 0.351 356 2HG2 THR 43 2HG2 THR 43 -5.875 1.597 1.613 357 3HG2 THR 43 3HG2 THR 43 -6.391 1.686 -0.070 358 H ARG 44 H ARG 44 -8.025 5.454 0.160 359 HA ARG 44 HA ARG 44 -7.301 8.189 -0.281 360 1HB ARG 44 1HB ARG 44 -9.601 8.570 0.824 361 2HB ARG 44 2HB ARG 44 -9.548 7.745 -0.728 362 1HG ARG 44 1HG ARG 44 -9.940 5.640 0.268 363 2HG ARG 44 2HG ARG 44 -9.642 6.272 1.888 364 1HD ARG 44 1HD ARG 44 -12.051 5.914 1.356 365 2HD ARG 44 2HD ARG 44 -11.653 7.565 1.827 366 HE ARG 44 HE ARG 44 -11.552 7.282 -0.989 367 1HH1 ARG 44 1HH1 ARG 44 -13.791 7.502 1.671 368 2HH1 ARG 44 2HH1 ARG 44 -15.063 8.185 0.714 369 1HH2 ARG 44 1HH2 ARG 44 -13.222 8.180 -2.259 370 2HH2 ARG 44 2HH2 ARG 44 -14.739 8.569 -1.521 371 H GLN 45 H GLN 45 -6.459 6.167 2.132 372 HA GLN 45 HA GLN 45 -6.665 8.195 4.243 373 1HB GLN 45 1HB GLN 45 -6.751 5.284 4.210 374 2HB GLN 45 2HB GLN 45 -5.594 5.899 5.383 375 1HG GLN 45 1HG GLN 45 -7.241 7.061 6.571 376 2HG GLN 45 2HG GLN 45 -8.401 6.937 5.250 377 1HE2 GLN 45 2HE2 GLN 45 -8.808 6.196 7.980 378 2HE2 GLN 45 1HE2 GLN 45 -9.151 4.503 8.004 379 H HIS 46 H HIS 46 -4.565 7.200 1.910 380 HA HIS 46 HA HIS 46 -2.428 7.964 1.526 381 1HB HIS 46 1HB HIS 46 -2.098 8.476 4.478 382 2HB HIS 46 2HB HIS 46 -1.188 9.175 3.141 383 HD1 HIS 46 HD1 HIS 46 -3.583 10.093 1.393 384 HD2 HIS 46 HD2 HIS 46 -3.249 10.744 5.484 385 HE1 HIS 46 HE1 HIS 46 -5.050 12.076 1.880 386 HE2 HIS 46 HE2 HIS 46 -4.795 12.483 4.353 387 H ARG 47 H ARG 47 -3.216 5.262 2.053 388 HA ARG 47 HA ARG 47 -0.850 4.191 3.428 389 1HB ARG 47 1HB ARG 47 -2.019 2.225 3.863 390 2HB ARG 47 2HB ARG 47 -3.250 3.468 4.050 391 1HG ARG 47 1HG ARG 47 -4.478 2.264 2.659 392 2HG ARG 47 2HG ARG 47 -3.398 2.842 1.392 393 1HD ARG 47 1HD ARG 47 -2.237 0.873 1.291 394 2HD ARG 47 2HD ARG 47 -2.590 0.450 2.963 395 HE ARG 47 HE ARG 47 -4.917 0.005 2.159 396 1HH1 ARG 47 1HH1 ARG 47 -2.199 -0.273 -0.040 397 2HH1 ARG 47 2HH1 ARG 47 -3.018 -1.378 -1.088 398 1HH2 ARG 47 1HH2 ARG 47 -5.970 -1.443 0.771 399 2HH2 ARG 47 2HH2 ARG 47 -5.147 -2.041 -0.632 400 H LEU 48 H LEU 48 0.550 2.807 2.422 401 HA LEU 48 HA LEU 48 0.092 2.267 -0.431 402 1HB LEU 48 1HB LEU 48 2.832 2.927 0.576 403 2HB LEU 48 2HB LEU 48 2.213 2.990 -1.062 404 HG LEU 48 HG LEU 48 1.463 4.915 1.139 405 1HD1 LEU 48 1HD1 LEU 48 3.728 4.812 -0.657 406 2HD1 LEU 48 2HD1 LEU 48 2.774 6.277 -0.887 407 3HD1 LEU 48 3HD1 LEU 48 3.416 5.884 0.708 408 1HD2 LEU 48 1HD2 LEU 48 0.379 4.367 -1.502 409 2HD2 LEU 48 2HD2 LEU 48 -0.283 5.336 -0.186 410 3HD2 LEU 48 3HD2 LEU 48 0.881 6.046 -1.307 411 H PHE 49 H PHE 49 0.083 0.147 -0.732 412 HA PHE 49 HA PHE 49 2.057 -1.486 0.707 413 1HB PHE 49 1HB PHE 49 -0.894 -2.054 0.413 414 2HB PHE 49 2HB PHE 49 0.281 -3.287 0.860 415 HD1 PHE 49 HD1 PHE 49 -0.585 0.204 1.883 416 HD2 PHE 49 HD2 PHE 49 0.440 -3.753 3.096 417 HE1 PHE 49 HE1 PHE 49 -0.778 0.883 4.243 418 HE2 PHE 49 HE2 PHE 49 0.248 -3.082 5.460 419 HZ PHE 49 HZ PHE 49 -0.361 -0.761 6.037 420 H CYS 50 H CYS 50 3.173 -2.825 -0.561 421 HA CYS 50 HA CYS 50 2.677 -2.842 -3.385 422 1HB CYS 50 1HB CYS 50 4.794 -3.884 -1.571 423 2HB CYS 50 2HB CYS 50 4.634 -4.647 -3.150 424 H ALA 51 H ALA 51 1.004 -4.003 -4.110 425 HA ALA 51 HA ALA 51 0.603 -6.713 -3.039 426 1HB ALA 51 1HB ALA 51 -1.244 -4.833 -3.112 427 2HB ALA 51 2HB ALA 51 -1.433 -5.406 -4.769 428 3HB ALA 51 3HB ALA 51 -1.643 -6.524 -3.421 429 H ASP 52 H ASP 52 0.945 -8.437 -4.293 430 HA ASP 52 HA ASP 52 2.046 -8.089 -6.917 431 1HB ASP 52 1HB ASP 52 2.243 -10.025 -4.946 432 2HB ASP 52 2HB ASP 52 1.311 -10.824 -6.209 433 HA PRO 53 HA PRO 53 -1.616 -8.185 -9.376 434 1HB PRO 53 1HB PRO 53 0.070 -9.806 -11.219 435 2HB PRO 53 2HB PRO 53 -0.866 -8.344 -11.545 436 1HG PRO 53 1HG PRO 53 1.785 -8.237 -11.329 437 2HG PRO 53 2HG PRO 53 0.764 -6.946 -10.668 438 1HD PRO 53 1HD PRO 53 2.195 -9.150 -9.249 439 2HD PRO 53 2HD PRO 53 1.914 -7.471 -8.739 440 H LYS 54 H LYS 54 0.139 -11.037 -8.457 441 HA LYS 54 HA LYS 54 -1.630 -12.983 -9.494 442 1HB LYS 54 1HB LYS 54 0.672 -12.915 -7.703 443 2HB LYS 54 2HB LYS 54 -0.519 -14.116 -7.222 444 1HG LYS 54 1HG LYS 54 -0.342 -14.543 -9.911 445 2HG LYS 54 2HG LYS 54 1.310 -14.085 -9.497 446 1HD LYS 54 1HD LYS 54 -0.315 -16.268 -8.195 447 2HD LYS 54 2HD LYS 54 1.017 -16.497 -9.330 448 1HE LYS 54 1HE LYS 54 2.595 -16.058 -7.770 449 2HE LYS 54 2HE LYS 54 1.608 -14.843 -6.960 450 1HZ LYS 54 1HZ LYS 54 0.523 -17.471 -6.681 451 2HZ LYS 54 2HZ LYS 54 2.101 -17.381 -6.076 452 3HZ LYS 54 3HZ LYS 54 0.908 -16.335 -5.489 453 H GLU 55 H GLU 55 -1.765 -10.909 -6.740 454 HA GLU 55 HA GLU 55 -3.606 -12.436 -5.197 455 1HB GLU 55 1HB GLU 55 -3.218 -9.445 -5.109 456 2HB GLU 55 2HB GLU 55 -3.828 -10.482 -3.827 457 1HG GLU 55 1HG GLU 55 -1.583 -11.607 -3.810 458 2HG GLU 55 2HG GLU 55 -1.023 -10.332 -4.892 459 H GLN 56 H GLN 56 -5.752 -12.609 -5.350 460 HA GLN 56 HA GLN 56 -7.152 -11.797 -7.618 461 1HB GLN 56 1HB GLN 56 -7.787 -13.662 -6.075 462 2HB GLN 56 2HB GLN 56 -8.352 -12.457 -4.926 463 1HG GLN 56 1HG GLN 56 -9.420 -12.843 -7.714 464 2HG GLN 56 2HG GLN 56 -10.176 -13.431 -6.233 465 1HE2 GLN 56 2HE2 GLN 56 -9.768 -10.801 -8.346 466 2HE2 GLN 56 1HE2 GLN 56 -10.690 -9.640 -7.464 467 H TRP 57 H TRP 57 -7.400 -10.487 -4.309 468 HA TRP 57 HA TRP 57 -9.210 -8.466 -4.784 469 1HB TRP 57 1HB TRP 57 -8.545 -7.521 -2.745 470 2HB TRP 57 2HB TRP 57 -8.140 -9.226 -2.570 471 HD1 TRP 57 HD1 TRP 57 -5.425 -9.797 -3.121 472 HE1 TRP 57 HE1 TRP 57 -3.361 -8.429 -2.417 473 HE3 TRP 57 HE3 TRP 57 -7.696 -5.300 -2.231 474 HZ2 TRP 57 HZ2 TRP 57 -2.771 -5.790 -1.594 475 HZ3 TRP 57 HZ3 TRP 57 -6.312 -3.401 -1.486 476 HH2 TRP 57 HH2 TRP 57 -3.898 -3.644 -1.174 477 H VAL 58 H VAL 58 -5.978 -8.692 -5.914 478 HA VAL 58 HA VAL 58 -5.706 -5.833 -6.353 479 HB VAL 58 HB VAL 58 -3.894 -8.108 -7.170 480 1HG1 VAL 58 1HG1 VAL 58 -3.968 -5.548 -8.204 481 2HG1 VAL 58 2HG1 VAL 58 -2.713 -5.462 -6.969 482 3HG1 VAL 58 3HG1 VAL 58 -2.598 -6.656 -8.261 483 1HG2 VAL 58 1HG2 VAL 58 -4.198 -7.696 -4.701 484 2HG2 VAL 58 2HG2 VAL 58 -2.543 -7.558 -5.298 485 3HG2 VAL 58 3HG2 VAL 58 -3.482 -6.104 -4.961 486 H LYS 59 H LYS 59 -6.132 -8.780 -8.279 487 HA LYS 59 HA LYS 59 -5.990 -7.595 -10.814 488 1HB LYS 59 1HB LYS 59 -7.728 -9.943 -10.036 489 2HB LYS 59 2HB LYS 59 -7.111 -9.573 -11.639 490 1HG LYS 59 1HG LYS 59 -4.949 -10.217 -11.095 491 2HG LYS 59 2HG LYS 59 -5.245 -10.086 -9.359 492 1HD LYS 59 1HD LYS 59 -6.649 -12.030 -9.394 493 2HD LYS 59 2HD LYS 59 -6.574 -12.111 -11.153 494 1HE LYS 59 1HE LYS 59 -4.161 -12.355 -9.369 495 2HE LYS 59 2HE LYS 59 -5.093 -13.738 -9.939 496 1HZ LYS 59 1HZ LYS 59 -4.658 -12.748 -12.248 497 2HZ LYS 59 2HZ LYS 59 -3.425 -11.868 -11.494 498 3HZ LYS 59 3HZ LYS 59 -3.391 -13.560 -11.475 499 H ASP 60 H ASP 60 -8.805 -8.258 -8.744 500 HA ASP 60 HA ASP 60 -10.653 -6.995 -10.513 501 1HB ASP 60 1HB ASP 60 -11.457 -8.697 -8.997 502 2HB ASP 60 2HB ASP 60 -10.885 -7.783 -7.604 503 H ALA 61 H ALA 61 -9.067 -6.026 -7.477 504 HA ALA 61 HA ALA 61 -10.257 -3.594 -7.046 505 1HB ALA 61 1HB ALA 61 -7.453 -4.542 -6.580 506 2HB ALA 61 2HB ALA 61 -7.936 -2.897 -6.166 507 3HB ALA 61 3HB ALA 61 -8.745 -4.271 -5.411 508 H MET 62 H MET 62 -7.690 -4.388 -9.333 509 HA MET 62 HA MET 62 -7.282 -1.695 -10.189 510 1HB MET 62 1HB MET 62 -6.364 -4.385 -11.094 511 2HB MET 62 2HB MET 62 -6.231 -3.040 -12.220 512 1HG MET 62 1HG MET 62 -5.014 -1.808 -10.360 513 2HG MET 62 2HG MET 62 -4.914 -3.369 -9.547 514 1HE MET 62 1HE MET 62 -4.387 -5.457 -10.987 515 2HE MET 62 2HE MET 62 -4.369 -5.142 -12.722 516 3HE MET 62 3HE MET 62 -2.871 -5.544 -11.883 517 H GLN 63 H GLN 63 -8.627 -4.501 -11.937 518 HA GLN 63 HA GLN 63 -9.641 -3.228 -14.126 519 1HB GLN 63 1HB GLN 63 -9.741 -5.727 -13.474 520 2HB GLN 63 2HB GLN 63 -11.266 -5.322 -12.699 521 1HG GLN 63 1HG GLN 63 -11.988 -4.373 -14.932 522 2HG GLN 63 2HG GLN 63 -10.562 -5.159 -15.610 523 1HE2 GLN 63 1HE2 GLN 63 -10.390 -7.535 -14.651 524 2HE2 GLN 63 2HE2 GLN 63 -11.828 -8.469 -14.869 525 H HIS 64 H HIS 64 -10.746 -3.058 -10.854 526 HA HIS 64 HA HIS 64 -13.320 -1.962 -11.428 527 1HB HIS 64 1HB HIS 64 -12.788 -3.173 -9.320 528 2HB HIS 64 2HB HIS 64 -11.740 -1.838 -8.855 529 HD1 HIS 64 HD1 HIS 64 -15.310 -2.844 -9.059 530 HD2 HIS 64 HD2 HIS 64 -13.085 0.526 -8.083 531 HE1 HIS 64 HE1 HIS 64 -16.921 -1.280 -7.925 532 HE2 HIS 64 HE2 HIS 64 -15.559 0.766 -7.370 533 H LEU 65 H LEU 65 -10.269 -0.591 -10.222 534 HA LEU 65 HA LEU 65 -11.159 2.088 -10.199 535 1HB LEU 65 1HB LEU 65 -8.443 0.807 -10.236 536 2HB LEU 65 2HB LEU 65 -8.621 2.549 -10.308 537 HG LEU 65 HG LEU 65 -9.751 0.851 -8.086 538 1HD1 LEU 65 1HD1 LEU 65 -7.170 0.932 -8.412 539 2HD1 LEU 65 2HD1 LEU 65 -7.332 2.575 -7.791 540 3HD1 LEU 65 3HD1 LEU 65 -7.864 1.208 -6.814 541 1HD2 LEU 65 1HD2 LEU 65 -10.842 3.025 -8.451 542 2HD2 LEU 65 2HD2 LEU 65 -9.973 2.964 -6.917 543 3HD2 LEU 65 3HD2 LEU 65 -9.277 3.823 -8.291 544 H ASP 66 H ASP 66 -10.070 0.010 -12.723 545 HA ASP 66 HA ASP 66 -9.275 2.048 -14.559 546 1HB ASP 66 1HB ASP 66 -9.794 -0.891 -14.726 547 2HB ASP 66 2HB ASP 66 -9.724 0.041 -16.219 548 H ARG 67 H ARG 67 -12.174 -0.009 -14.310 549 HA ARG 67 HA ARG 67 -13.543 1.549 -16.326 550 1HB ARG 67 1HB ARG 67 -14.766 -0.578 -14.578 551 2HB ARG 67 2HB ARG 67 -15.291 -0.048 -16.170 552 1HG ARG 67 1HG ARG 67 -12.959 -1.775 -15.437 553 2HG ARG 67 2HG ARG 67 -14.278 -2.100 -16.565 554 1HD ARG 67 1HD ARG 67 -13.388 -0.234 -17.989 555 2HD ARG 67 2HD ARG 67 -11.982 -0.186 -16.926 556 HE ARG 67 HE ARG 67 -12.506 -2.799 -17.982 557 1HH1 ARG 67 1HH1 ARG 67 -10.997 0.275 -18.615 558 2HH1 ARG 67 2HH1 ARG 67 -9.852 -0.372 -19.743 559 1HH2 ARG 67 1HH2 ARG 67 -11.003 -3.662 -19.466 560 2HH2 ARG 67 2HH2 ARG 67 -9.857 -2.611 -20.227 561 H GLN 68 H GLN 68 -12.939 3.344 -14.507 562 HA GLN 68 HA GLN 68 -15.491 4.228 -13.552 563 1HB GLN 68 1HB GLN 68 -13.691 2.855 -11.734 564 2HB GLN 68 2HB GLN 68 -14.011 4.501 -11.202 565 1HG GLN 68 1HG GLN 68 -16.184 4.084 -10.746 566 2HG GLN 68 2HG GLN 68 -16.347 2.909 -12.050 567 1HE2 GLN 68 1HE2 GLN 68 -15.215 0.822 -11.702 568 2HE2 GLN 68 2HE2 GLN 68 -15.217 0.162 -10.106 569 H ALA 69 H ALA 69 -12.291 4.941 -12.212 570 HA ALA 69 HA ALA 69 -12.511 7.698 -12.346 571 1HB ALA 69 1HB ALA 69 -10.164 5.847 -12.225 572 2HB ALA 69 2HB ALA 69 -9.919 7.586 -12.381 573 3HB ALA 69 3HB ALA 69 -10.794 6.940 -10.992 574 H ALA 70 H ALA 70 -11.374 5.425 -14.778 575 HA ALA 70 HA ALA 70 -10.416 7.424 -16.582 576 1HB ALA 70 1HB ALA 70 -10.762 4.489 -16.628 577 2HB ALA 70 2HB ALA 70 -10.744 5.310 -18.189 578 3HB ALA 70 3HB ALA 70 -9.377 5.478 -17.089 579 H ALA 71 H ALA 71 -13.491 5.978 -15.926 580 HA ALA 71 HA ALA 71 -14.759 6.460 -18.388 581 1HB ALA 71 1HB ALA 71 -15.529 5.031 -16.378 582 2HB ALA 71 2HB ALA 71 -16.239 6.534 -15.792 583 3HB ALA 71 3HB ALA 71 -16.741 5.868 -17.347 584 H LEU 72 H LEU 72 -13.555 8.626 -16.153 585 HA LEU 72 HA LEU 72 -15.428 10.731 -17.009 586 1HB LEU 72 1HB LEU 72 -14.320 10.048 -14.434 587 2HB LEU 72 2HB LEU 72 -13.887 11.692 -14.868 588 HG LEU 72 HG LEU 72 -16.009 11.404 -13.517 589 1HD1 LEU 72 1HD1 LEU 72 -15.449 13.079 -15.783 590 2HD1 LEU 72 2HD1 LEU 72 -17.185 12.812 -15.627 591 3HD1 LEU 72 3HD1 LEU 72 -16.269 13.474 -14.273 592 1HD2 LEU 72 1HD2 LEU 72 -16.598 9.529 -15.467 593 2HD2 LEU 72 2HD2 LEU 72 -17.705 10.167 -14.251 594 3HD2 LEU 72 3HD2 LEU 72 -17.637 10.899 -15.855 595 H THR 73 H THR 73 -12.167 10.897 -15.625 596 HA THR 73 HA THR 73 -11.250 12.226 -18.085 597 HB THR 73 HB THR 73 -11.684 13.953 -16.424 598 HG1 THR 73 HG1 THR 73 -9.631 13.854 -17.752 599 1HG2 THR 73 1HG2 THR 73 -10.883 12.112 -14.533 600 2HG2 THR 73 2HG2 THR 73 -9.571 13.290 -14.565 601 3HG2 THR 73 3HG2 THR 73 -11.226 13.821 -14.262 602 H ARG 74 H ARG 74 -9.373 11.490 -18.870 603 HA ARG 74 HA ARG 74 -7.824 9.643 -17.179 604 1HB ARG 74 1HB ARG 74 -8.948 8.813 -19.335 605 2HB ARG 74 2HB ARG 74 -7.717 9.738 -20.185 606 1HG ARG 74 1HG ARG 74 -6.424 8.155 -18.217 607 2HG ARG 74 2HG ARG 74 -7.542 7.124 -19.113 608 1HD ARG 74 1HD ARG 74 -6.486 8.393 -21.178 609 2HD ARG 74 2HD ARG 74 -5.143 8.609 -20.056 610 HE ARG 74 HE ARG 74 -5.932 6.184 -21.359 611 1HH1 ARG 74 1HH1 ARG 74 -4.392 7.510 -18.532 612 2HH1 ARG 74 2HH1 ARG 74 -3.451 6.090 -18.218 613 1HH2 ARG 74 1HH2 ARG 74 -4.700 4.307 -20.954 614 2HH2 ARG 74 2HH2 ARG 74 -3.627 4.268 -19.595 615 H ASN 75 H ASN 75 -7.339 12.329 -16.844 616 HA ASN 75 HA ASN 75 -4.738 12.677 -18.186 617 1HB ASN 75 1HB ASN 75 -6.981 14.513 -17.870 618 2HB ASN 75 2HB ASN 75 -5.474 15.192 -17.265 619 1HD2 ASN 75 2HD2 ASN 75 -6.116 12.990 -19.959 620 2HD2 ASN 75 1HD2 ASN 75 -5.428 14.004 -21.177 621 H GLY 76 H GLY 76 -3.467 11.738 -16.623 622 1HA GLY 76 1HA GLY 76 -2.546 11.388 -14.517 623 2HA GLY 76 2HA GLY 76 -2.315 13.125 -14.646 Start of MODEL 3 1 2H MET 0 2H MET 0 25.788 8.915 0.466 2 3H MET 0 3H MET 0 24.392 8.689 -0.507 3 1H MET 0 1H MET 0 24.495 7.938 1.031 4 HA MET 0 HA MET 0 24.871 6.409 -0.775 5 1HB MET 0 1HB MET 0 26.890 8.509 -1.411 6 2HB MET 0 2HB MET 0 27.312 6.838 -1.759 7 1HG MET 0 1HG MET 0 26.111 6.871 -3.611 8 2HG MET 0 2HG MET 0 24.675 7.364 -2.718 9 1HE MET 0 1HE MET 0 26.753 7.938 -5.443 10 2HE MET 0 2HE MET 0 25.142 8.517 -5.871 11 3HE MET 0 3HE MET 0 26.519 9.618 -5.923 12 H GLN 1 H GLN 1 27.224 5.131 -0.880 13 HA GLN 1 HA GLN 1 28.597 3.767 0.316 14 1HB GLN 1 1HB GLN 1 29.221 6.378 1.045 15 2HB GLN 1 2HB GLN 1 29.071 5.532 2.579 16 1HG GLN 1 1HG GLN 1 30.723 3.919 1.913 17 2HG GLN 1 2HG GLN 1 30.800 4.613 0.294 18 1HE2 GLN 1 2HE2 GLN 1 31.304 7.035 0.318 19 2HE2 GLN 1 1HE2 GLN 1 32.588 7.525 1.364 20 H HIS 2 H HIS 2 29.008 3.698 3.162 21 HA HIS 2 HA HIS 2 27.218 1.839 4.000 22 1HB HIS 2 1HB HIS 2 29.227 3.446 5.235 23 2HB HIS 2 2HB HIS 2 27.826 3.402 6.300 24 HD1 HIS 2 HD1 HIS 2 30.584 1.306 4.980 25 HD2 HIS 2 HD2 HIS 2 27.165 0.829 7.293 26 HE1 HIS 2 HE1 HIS 2 30.809 -0.956 6.053 27 HE2 HIS 2 HE2 HIS 2 28.674 -1.270 7.355 28 H HIS 3 H HIS 3 25.086 2.187 3.520 29 HA HIS 3 HA HIS 3 23.430 3.379 5.373 30 1HB HIS 3 1HB HIS 3 24.643 5.370 3.857 31 2HB HIS 3 2HB HIS 3 23.050 5.194 3.130 32 HD1 HIS 3 HD1 HIS 3 23.363 7.796 4.382 33 HD2 HIS 3 HD2 HIS 3 22.303 4.471 6.638 34 HE1 HIS 3 HE1 HIS 3 22.268 8.710 6.453 35 HE2 HIS 3 HE2 HIS 3 21.718 6.682 7.844 36 H GLY 4 H GLY 4 23.767 2.960 1.858 37 1HA GLY 4 1HA GLY 4 22.538 1.256 0.700 38 2HA GLY 4 2HA GLY 4 21.271 1.401 1.910 39 H VAL 5 H VAL 5 22.470 2.511 -1.104 40 HA VAL 5 HA VAL 5 20.278 4.474 -1.277 41 HB VAL 5 HB VAL 5 22.865 4.384 -2.837 42 1HG1 VAL 5 1HG1 VAL 5 20.818 5.164 -4.101 43 2HG1 VAL 5 2HG1 VAL 5 20.744 6.514 -2.969 44 3HG1 VAL 5 3HG1 VAL 5 22.155 6.310 -4.009 45 1HG2 VAL 5 1HG2 VAL 5 21.866 6.088 -0.583 46 2HG2 VAL 5 2HG2 VAL 5 23.405 5.241 -0.741 47 3HG2 VAL 5 3HG2 VAL 5 23.090 6.685 -1.704 48 H THR 6 H THR 6 18.595 3.453 -2.193 49 HA THR 6 HA THR 6 19.112 1.833 -4.597 50 HB THR 6 HB THR 6 16.502 1.306 -3.708 51 HG1 THR 6 HG1 THR 6 16.981 0.616 -1.536 52 1HG2 THR 6 1HG2 THR 6 18.248 -0.265 -4.680 53 2HG2 THR 6 2HG2 THR 6 18.855 -0.417 -3.030 54 3HG2 THR 6 3HG2 THR 6 17.202 -0.899 -3.409 55 H LYS 7 H LYS 7 17.774 4.704 -3.462 56 HA LYS 7 HA LYS 7 16.423 6.305 -4.364 57 1HB LYS 7 1HB LYS 7 18.302 5.615 -6.230 58 2HB LYS 7 2HB LYS 7 16.810 5.410 -7.138 59 1HG LYS 7 1HG LYS 7 17.888 7.665 -7.317 60 2HG LYS 7 2HG LYS 7 16.195 7.672 -6.818 61 1HD LYS 7 1HD LYS 7 16.676 8.571 -4.822 62 2HD LYS 7 2HD LYS 7 18.068 7.512 -4.582 63 1HE LYS 7 1HE LYS 7 19.528 8.983 -5.544 64 2HE LYS 7 2HE LYS 7 18.297 9.688 -6.592 65 1HZ LYS 7 1HZ LYS 7 18.403 10.118 -3.658 66 2HZ LYS 7 2HZ LYS 7 19.084 11.177 -4.788 67 3HZ LYS 7 3HZ LYS 7 17.412 10.914 -4.773 68 H CYS 8 H CYS 8 14.963 4.194 -3.501 69 HA CYS 8 HA CYS 8 12.822 4.059 -5.511 70 1HB CYS 8 1HB CYS 8 12.341 1.748 -4.871 71 2HB CYS 8 2HB CYS 8 13.988 1.895 -5.473 72 H ASN 9 H ASN 9 11.901 5.829 -4.329 73 HA ASN 9 HA ASN 9 11.346 6.215 -1.753 74 1HB ASN 9 1HB ASN 9 9.082 7.082 -2.421 75 2HB ASN 9 2HB ASN 9 10.415 7.696 -3.396 76 1HD2 ASN 9 2HD2 ASN 9 10.755 6.747 -5.489 77 2HD2 ASN 9 1HD2 ASN 9 9.419 6.078 -6.355 78 H ILE 10 H ILE 10 9.930 3.687 -3.723 79 HA ILE 10 HA ILE 10 8.836 2.471 -1.282 80 HB ILE 10 HB ILE 10 7.008 3.569 -2.582 81 1HG1 ILE 10 1HG1 ILE 10 6.525 0.632 -2.759 82 2HG1 ILE 10 2HG1 ILE 10 6.952 1.305 -1.187 83 1HG2 ILE 10 1HG2 ILE 10 8.300 2.568 -4.776 84 2HG2 ILE 10 2HG2 ILE 10 6.934 1.464 -4.606 85 3HG2 ILE 10 3HG2 ILE 10 6.654 3.200 -4.761 86 1HD1 ILE 10 1HD1 ILE 10 4.752 2.498 -2.814 87 2HD1 ILE 10 2HD1 ILE 10 4.477 1.080 -1.803 88 3HD1 ILE 10 3HD1 ILE 10 5.033 2.588 -1.076 89 H THR 11 H THR 11 9.783 0.567 -1.007 90 HA THR 11 HA THR 11 10.619 -0.952 -3.386 91 HB THR 11 HB THR 11 12.410 -0.229 -1.782 92 HG1 THR 11 HG1 THR 11 11.967 -3.006 -2.138 93 1HG2 THR 11 1HG2 THR 11 10.946 -0.682 0.271 94 2HG2 THR 11 2HG2 THR 11 11.427 -2.367 0.062 95 3HG2 THR 11 3HG2 THR 11 12.652 -1.127 0.340 96 H CYS 12 H CYS 12 9.537 -2.744 -3.843 97 HA CYS 12 HA CYS 12 7.533 -3.750 -2.048 98 1HB CYS 12 1HB CYS 12 8.484 -4.782 -4.729 99 2HB CYS 12 2HB CYS 12 7.077 -5.383 -3.857 100 H SER 13 H SER 13 9.437 -4.118 -0.447 101 HA SER 13 HA SER 13 11.028 -6.460 -0.840 102 1HB SER 13 1HB SER 13 10.506 -4.622 1.474 103 2HB SER 13 2HB SER 13 11.355 -6.146 1.733 104 HG SER 13 HG SER 13 12.785 -5.412 -0.013 105 H LYS 14 H LYS 14 7.841 -5.853 0.295 106 HA LYS 14 HA LYS 14 7.482 -8.704 0.801 107 1HB LYS 14 1HB LYS 14 7.835 -7.023 2.931 108 2HB LYS 14 2HB LYS 14 6.085 -7.017 2.760 109 1HG LYS 14 1HG LYS 14 6.937 -8.723 4.338 110 2HG LYS 14 2HG LYS 14 5.984 -9.392 3.013 111 1HD LYS 14 1HD LYS 14 7.725 -10.549 2.193 112 2HD LYS 14 2HD LYS 14 8.850 -9.213 2.445 113 1HE LYS 14 1HE LYS 14 8.300 -10.010 5.006 114 2HE LYS 14 2HE LYS 14 8.277 -11.537 4.126 115 1HZ LYS 14 1HZ LYS 14 10.491 -9.701 3.603 116 2HZ LYS 14 2HZ LYS 14 10.493 -10.524 5.081 117 3HZ LYS 14 3HZ LYS 14 10.474 -11.393 3.630 118 H MET 15 H MET 15 4.959 -8.935 1.467 119 HA MET 15 HA MET 15 3.427 -7.288 -0.432 120 1HB MET 15 1HB MET 15 3.643 -10.249 -0.231 121 2HB MET 15 2HB MET 15 2.066 -9.575 -0.618 122 1HG MET 15 1HG MET 15 2.886 -9.854 -2.714 123 2HG MET 15 2HG MET 15 3.463 -8.220 -2.393 124 1HE MET 15 1HE MET 15 5.273 -7.626 -3.364 125 2HE MET 15 2HE MET 15 6.866 -8.382 -3.408 126 3HE MET 15 3HE MET 15 5.624 -8.877 -4.557 127 H THR 16 H THR 16 1.310 -6.811 0.124 128 HA THR 16 HA THR 16 0.703 -7.120 2.958 129 HB THR 16 HB THR 16 0.572 -4.886 1.829 130 HG1 THR 16 HG1 THR 16 -1.065 -4.318 3.082 131 1HG2 THR 16 1HG2 THR 16 -1.004 -6.266 -0.052 132 2HG2 THR 16 2HG2 THR 16 -2.056 -5.119 0.779 133 3HG2 THR 16 3HG2 THR 16 -0.588 -4.553 -0.016 134 H SER 17 H SER 17 -1.941 -7.087 3.167 135 HA SER 17 HA SER 17 -2.750 -9.621 1.918 136 1HB SER 17 1HB SER 17 -4.573 -8.947 3.963 137 2HB SER 17 2HB SER 17 -3.331 -10.197 4.004 138 HG SER 17 HG SER 17 -3.160 -8.647 5.719 139 H LYS 18 H LYS 18 -5.287 -9.765 1.824 140 HA LYS 18 HA LYS 18 -6.164 -8.123 -0.227 141 1HB LYS 18 1HB LYS 18 -7.134 -10.349 0.549 142 2HB LYS 18 2HB LYS 18 -8.015 -9.430 1.762 143 1HG LYS 18 1HG LYS 18 -9.535 -8.738 0.289 144 2HG LYS 18 2HG LYS 18 -8.315 -8.353 -0.926 145 1HD LYS 18 1HD LYS 18 -9.546 -10.061 -1.920 146 2HD LYS 18 2HD LYS 18 -8.145 -10.902 -1.252 147 1HE LYS 18 1HE LYS 18 -9.417 -11.649 0.639 148 2HE LYS 18 2HE LYS 18 -10.799 -10.663 0.155 149 1HZ LYS 18 1HZ LYS 18 -10.758 -12.052 -1.964 150 2HZ LYS 18 2HZ LYS 18 -9.762 -13.122 -1.113 151 3HZ LYS 18 3HZ LYS 18 -11.326 -12.799 -0.556 152 H ILE 19 H ILE 19 -7.593 -6.372 -0.338 153 HA ILE 19 HA ILE 19 -8.373 -5.042 2.128 154 HB ILE 19 HB ILE 19 -6.814 -3.496 0.067 155 1HG1 ILE 19 1HG1 ILE 19 -5.804 -4.588 2.703 156 2HG1 ILE 19 2HG1 ILE 19 -5.370 -5.219 1.118 157 1HG2 ILE 19 1HG2 ILE 19 -8.429 -2.299 1.542 158 2HG2 ILE 19 2HG2 ILE 19 -7.474 -2.823 2.928 159 3HG2 ILE 19 3HG2 ILE 19 -6.759 -1.762 1.714 160 1HD1 ILE 19 1HD1 ILE 19 -4.886 -2.350 1.783 161 2HD1 ILE 19 2HD1 ILE 19 -3.764 -3.604 2.314 162 3HD1 ILE 19 3HD1 ILE 19 -4.083 -3.376 0.594 163 HA PRO 20 HA PRO 20 -12.047 -4.258 -0.188 164 1HB PRO 20 1HB PRO 20 -12.183 -1.779 1.438 165 2HB PRO 20 2HB PRO 20 -13.377 -3.061 1.246 166 1HG PRO 20 1HG PRO 20 -11.943 -2.823 3.483 167 2HG PRO 20 2HG PRO 20 -12.369 -4.404 2.816 168 1HD PRO 20 1HD PRO 20 -9.762 -2.960 2.744 169 2HD PRO 20 2HD PRO 20 -10.084 -4.699 2.897 170 H VAL 21 H VAL 21 -12.348 -3.333 -2.113 171 HA VAL 21 HA VAL 21 -10.500 -1.448 -3.163 172 HB VAL 21 HB VAL 21 -13.115 -1.768 -4.527 173 1HG1 VAL 21 1HG1 VAL 21 -10.233 -1.922 -5.404 174 2HG1 VAL 21 2HG1 VAL 21 -11.623 -2.063 -6.479 175 3HG1 VAL 21 3HG1 VAL 21 -11.334 -0.558 -5.609 176 1HG2 VAL 21 1HG2 VAL 21 -11.248 -4.052 -3.978 177 2HG2 VAL 21 2HG2 VAL 21 -13.001 -3.987 -3.796 178 3HG2 VAL 21 3HG2 VAL 21 -12.282 -4.018 -5.406 179 H ALA 22 H ALA 22 -13.482 -1.178 -1.474 180 HA ALA 22 HA ALA 22 -14.347 1.337 -2.385 181 1HB ALA 22 1HB ALA 22 -15.078 -0.523 -0.325 182 2HB ALA 22 2HB ALA 22 -15.098 1.124 0.308 183 3HB ALA 22 3HB ALA 22 -16.057 0.713 -1.114 184 H LEU 23 H LEU 23 -11.616 0.481 -0.609 185 HA LEU 23 HA LEU 23 -11.389 3.150 0.600 186 1HB LEU 23 1HB LEU 23 -9.582 0.799 1.115 187 2HB LEU 23 2HB LEU 23 -9.761 2.254 2.078 188 HG LEU 23 HG LEU 23 -11.821 0.066 1.775 189 1HD1 LEU 23 1HD1 LEU 23 -9.627 -0.148 3.237 190 2HD1 LEU 23 2HD1 LEU 23 -10.580 0.817 4.365 191 3HD1 LEU 23 3HD1 LEU 23 -11.186 -0.743 3.807 192 1HD2 LEU 23 1HD2 LEU 23 -12.718 2.405 2.025 193 2HD2 LEU 23 2HD2 LEU 23 -13.189 1.268 3.289 194 3HD2 LEU 23 3HD2 LEU 23 -11.922 2.456 3.598 195 H LEU 24 H LEU 24 -10.187 1.153 -1.909 196 HA LEU 24 HA LEU 24 -7.656 2.461 -2.227 197 1HB LEU 24 1HB LEU 24 -9.245 0.473 -3.785 198 2HB LEU 24 2HB LEU 24 -7.939 1.320 -4.592 199 HG LEU 24 HG LEU 24 -7.566 -0.238 -2.037 200 1HD1 LEU 24 1HD1 LEU 24 -8.081 -1.245 -4.631 201 2HD1 LEU 24 2HD1 LEU 24 -6.374 -1.514 -4.278 202 3HD1 LEU 24 3HD1 LEU 24 -7.609 -2.132 -3.182 203 1HD2 LEU 24 1HD2 LEU 24 -5.951 1.627 -3.277 204 2HD2 LEU 24 2HD2 LEU 24 -5.434 0.408 -2.110 205 3HD2 LEU 24 3HD2 LEU 24 -5.312 0.082 -3.840 206 H ILE 25 H ILE 25 -7.117 4.160 -3.493 207 HA ILE 25 HA ILE 25 -9.332 5.558 -4.831 208 HB ILE 25 HB ILE 25 -7.807 7.561 -4.731 209 1HG1 ILE 25 1HG1 ILE 25 -6.263 5.853 -2.769 210 2HG1 ILE 25 2HG1 ILE 25 -5.714 6.227 -4.401 211 1HG2 ILE 25 1HG2 ILE 25 -9.431 6.382 -2.740 212 2HG2 ILE 25 2HG2 ILE 25 -8.051 7.121 -1.928 213 3HG2 ILE 25 3HG2 ILE 25 -9.073 8.091 -2.990 214 1HD1 ILE 25 1HD1 ILE 25 -6.428 8.482 -2.608 215 2HD1 ILE 25 2HD1 ILE 25 -4.915 7.620 -2.324 216 3HD1 ILE 25 3HD1 ILE 25 -5.214 8.386 -3.885 217 H HIS 26 H HIS 26 -5.956 4.566 -5.232 218 HA HIS 26 HA HIS 26 -6.322 4.267 -8.064 219 1HB HIS 26 1HB HIS 26 -5.311 6.755 -7.073 220 2HB HIS 26 2HB HIS 26 -4.019 5.919 -7.929 221 HD1 HIS 26 HD1 HIS 26 -4.826 5.027 -10.430 222 HD2 HIS 26 HD2 HIS 26 -6.922 8.176 -8.711 223 HE1 HIS 26 HE1 HIS 26 -6.031 6.148 -12.331 224 HE2 HIS 26 HE2 HIS 26 -7.358 7.999 -11.255 225 H TYR 27 H TYR 27 -4.320 3.466 -9.130 226 HA TYR 27 HA TYR 27 -2.481 2.178 -7.230 227 1HB TYR 27 1HB TYR 27 -2.591 0.100 -8.421 228 2HB TYR 27 2HB TYR 27 -4.243 0.588 -8.058 229 HD1 TYR 27 HD1 TYR 27 -1.695 0.840 -10.784 230 HD2 TYR 27 HD2 TYR 27 -5.822 0.540 -9.757 231 HE1 TYR 27 HE1 TYR 27 -2.269 0.644 -13.172 232 HE2 TYR 27 HE2 TYR 27 -6.407 0.341 -12.140 233 HH TYR 27 HH TYR 27 -5.106 1.186 -14.434 234 H GLN 28 H GLN 28 -0.372 1.851 -7.959 235 HA GLN 28 HA GLN 28 0.299 3.199 -10.493 236 1HB GLN 28 1HB GLN 28 2.441 3.113 -8.504 237 2HB GLN 28 2HB GLN 28 1.869 4.455 -9.485 238 1HG GLN 28 1HG GLN 28 -0.161 4.321 -7.778 239 2HG GLN 28 2HG GLN 28 1.094 3.630 -6.753 240 1HE2 GLN 28 2HE2 GLN 28 -0.098 5.965 -6.046 241 2HE2 GLN 28 1HE2 GLN 28 1.016 7.275 -6.212 242 H GLN 29 H GLN 29 2.982 2.589 -10.593 243 HA GLN 29 HA GLN 29 3.060 -0.351 -10.605 244 1HB GLN 29 1HB GLN 29 2.751 1.077 -12.887 245 2HB GLN 29 2HB GLN 29 4.506 1.019 -12.785 246 1HG GLN 29 1HG GLN 29 4.341 -0.938 -13.818 247 2HG GLN 29 2HG GLN 29 3.798 -1.573 -12.266 248 1HE2 GLN 29 2HE2 GLN 29 2.600 -3.167 -13.368 249 2HE2 GLN 29 1HE2 GLN 29 1.091 -2.791 -14.119 250 H ASN 30 H ASN 30 4.461 -0.670 -8.958 251 HA ASN 30 HA ASN 30 6.508 0.856 -8.042 252 1HB ASN 30 1HB ASN 30 5.690 -1.391 -7.153 253 2HB ASN 30 2HB ASN 30 6.795 -2.135 -8.306 254 1HD2 ASN 30 2HD2 ASN 30 8.645 -2.708 -7.454 255 2HD2 ASN 30 1HD2 ASN 30 9.466 -1.914 -6.157 256 H GLN 31 H GLN 31 8.573 1.349 -8.586 257 HA GLN 31 HA GLN 31 9.368 1.109 -11.287 258 1HB GLN 31 1HB GLN 31 10.494 2.259 -8.811 259 2HB GLN 31 2HB GLN 31 11.674 1.794 -10.029 260 1HG GLN 31 1HG GLN 31 9.314 3.439 -10.813 261 2HG GLN 31 2HG GLN 31 10.687 4.196 -10.007 262 1HE2 GLN 31 2HE2 GLN 31 10.756 5.383 -12.072 263 2HE2 GLN 31 1HE2 GLN 31 11.650 4.695 -13.380 264 H ALA 32 H ALA 32 10.316 -0.522 -12.302 265 HA ALA 32 HA ALA 32 11.049 -2.916 -10.980 266 1HB ALA 32 1HB ALA 32 11.419 -1.936 -13.796 267 2HB ALA 32 2HB ALA 32 12.004 -3.512 -13.263 268 3HB ALA 32 3HB ALA 32 10.281 -3.140 -13.190 269 H SER 33 H SER 33 12.596 -2.257 -9.413 270 HA SER 33 HA SER 33 15.277 -2.582 -10.222 271 1HB SER 33 1HB SER 33 16.211 -0.436 -9.960 272 2HB SER 33 2HB SER 33 14.755 -0.156 -10.913 273 HG SER 33 HG SER 33 13.775 0.183 -8.695 274 H CYS 34 H CYS 34 13.014 -1.442 -7.788 275 HA CYS 34 HA CYS 34 14.835 -2.395 -5.685 276 1HB CYS 34 1HB CYS 34 13.525 0.018 -5.870 277 2HB CYS 34 2HB CYS 34 12.459 -0.910 -4.820 278 H GLY 35 H GLY 35 14.287 -4.100 -4.467 279 1HA GLY 35 1HA GLY 35 13.091 -5.877 -3.653 280 2HA GLY 35 2HA GLY 35 11.654 -4.887 -3.852 281 H LYS 36 H LYS 36 10.173 -5.721 -5.148 282 HA LYS 36 HA LYS 36 11.058 -7.327 -7.449 283 1HB LYS 36 1HB LYS 36 8.674 -7.972 -5.707 284 2HB LYS 36 2HB LYS 36 9.251 -8.902 -7.082 285 1HG LYS 36 1HG LYS 36 10.196 -10.137 -5.448 286 2HG LYS 36 2HG LYS 36 11.471 -8.926 -5.598 287 1HD LYS 36 1HD LYS 36 10.787 -7.791 -3.680 288 2HD LYS 36 2HD LYS 36 9.184 -8.526 -3.703 289 1HE LYS 36 1HE LYS 36 10.316 -10.732 -3.257 290 2HE LYS 36 2HE LYS 36 11.799 -9.824 -2.970 291 1HZ LYS 36 1HZ LYS 36 9.436 -8.945 -1.516 292 2HZ LYS 36 2HZ LYS 36 10.089 -10.432 -1.050 293 3HZ LYS 36 3HZ LYS 36 11.048 -9.039 -1.008 294 H ARG 37 H ARG 37 9.684 -7.291 -9.273 295 HA ARG 37 HA ARG 37 8.389 -4.800 -9.707 296 1HB ARG 37 1HB ARG 37 7.789 -5.769 -11.917 297 2HB ARG 37 2HB ARG 37 9.502 -5.900 -11.541 298 1HG ARG 37 1HG ARG 37 8.563 -8.265 -10.587 299 2HG ARG 37 2HG ARG 37 7.499 -7.991 -11.968 300 1HD ARG 37 1HD ARG 37 9.137 -8.855 -13.213 301 2HD ARG 37 2HD ARG 37 9.979 -7.328 -12.955 302 HE ARG 37 HE ARG 37 11.406 -8.384 -11.480 303 1HH1 ARG 37 1HH1 ARG 37 8.783 -10.505 -12.345 304 2HH1 ARG 37 2HH1 ARG 37 9.519 -11.911 -11.651 305 1HH2 ARG 37 1HH2 ARG 37 12.384 -10.228 -10.561 306 2HH2 ARG 37 2HH2 ARG 37 11.568 -11.754 -10.636 307 H ALA 38 H ALA 38 6.751 -4.724 -8.108 308 HA ALA 38 HA ALA 38 4.458 -6.502 -8.622 309 1HB ALA 38 1HB ALA 38 5.570 -6.583 -6.337 310 2HB ALA 38 2HB ALA 38 4.907 -4.969 -6.077 311 3HB ALA 38 3HB ALA 38 3.824 -6.332 -6.362 312 H ILE 39 H ILE 39 2.514 -5.086 -7.268 313 HA ILE 39 HA ILE 39 2.230 -2.712 -8.984 314 HB ILE 39 HB ILE 39 0.150 -4.506 -7.740 315 1HG1 ILE 39 1HG1 ILE 39 1.383 -5.064 -9.949 316 2HG1 ILE 39 2HG1 ILE 39 -0.374 -5.170 -9.919 317 1HG2 ILE 39 1HG2 ILE 39 -0.254 -1.909 -9.217 318 2HG2 ILE 39 2HG2 ILE 39 -1.533 -3.036 -8.763 319 3HG2 ILE 39 3HG2 ILE 39 -0.599 -2.211 -7.515 320 1HD1 ILE 39 1HD1 ILE 39 -0.472 -2.906 -10.918 321 2HD1 ILE 39 2HD1 ILE 39 1.285 -2.936 -11.055 322 3HD1 ILE 39 3HD1 ILE 39 0.312 -4.106 -11.946 323 H ILE 40 H ILE 40 1.282 -0.808 -8.115 324 HA ILE 40 HA ILE 40 1.747 -0.518 -5.228 325 HB ILE 40 HB ILE 40 1.503 1.701 -7.257 326 1HG1 ILE 40 1HG1 ILE 40 3.453 -0.011 -7.528 327 2HG1 ILE 40 2HG1 ILE 40 3.811 1.713 -7.567 328 1HG2 ILE 40 1HG2 ILE 40 2.334 1.562 -4.377 329 2HG2 ILE 40 2HG2 ILE 40 2.809 2.905 -5.417 330 3HG2 ILE 40 3HG2 ILE 40 1.102 2.577 -5.125 331 1HD1 ILE 40 1HD1 ILE 40 4.018 0.108 -5.047 332 2HD1 ILE 40 2HD1 ILE 40 5.348 0.237 -6.200 333 3HD1 ILE 40 3HD1 ILE 40 4.720 1.685 -5.414 334 H LEU 41 H LEU 41 0.107 -0.107 -3.890 335 HA LEU 41 HA LEU 41 -2.479 0.660 -5.072 336 1HB LEU 41 1HB LEU 41 -1.973 -1.042 -2.632 337 2HB LEU 41 2HB LEU 41 -3.552 -0.564 -3.226 338 HG LEU 41 HG LEU 41 -1.584 -2.402 -4.584 339 1HD1 LEU 41 1HD1 LEU 41 -3.927 -2.764 -2.887 340 2HD1 LEU 41 2HD1 LEU 41 -4.012 -3.657 -4.405 341 3HD1 LEU 41 3HD1 LEU 41 -2.646 -3.899 -3.315 342 1HD2 LEU 41 1HD2 LEU 41 -3.585 -0.716 -5.737 343 2HD2 LEU 41 2HD2 LEU 41 -2.505 -1.864 -6.529 344 3HD2 LEU 41 3HD2 LEU 41 -4.067 -2.403 -5.912 345 H GLU 42 H GLU 42 -3.073 2.642 -4.550 346 HA GLU 42 HA GLU 42 -2.171 3.760 -1.981 347 1HB GLU 42 1HB GLU 42 -1.293 4.980 -3.896 348 2HB GLU 42 2HB GLU 42 -2.914 5.173 -4.549 349 1HG GLU 42 1HG GLU 42 -3.460 6.423 -2.406 350 2HG GLU 42 2HG GLU 42 -1.721 6.454 -2.113 351 H THR 43 H THR 43 -3.664 4.211 -0.489 352 HA THR 43 HA THR 43 -6.488 4.123 -1.302 353 HB THR 43 HB THR 43 -7.020 3.503 0.940 354 HG1 THR 43 HG1 THR 43 -5.818 4.048 2.561 355 1HG2 THR 43 1HG2 THR 43 -4.533 2.076 0.047 356 2HG2 THR 43 2HG2 THR 43 -5.531 1.558 1.405 357 3HG2 THR 43 3HG2 THR 43 -6.209 1.600 -0.222 358 H ARG 44 H ARG 44 -7.981 5.546 -0.079 359 HA ARG 44 HA ARG 44 -7.324 8.236 -0.400 360 1HB ARG 44 1HB ARG 44 -9.383 8.479 1.266 361 2HB ARG 44 2HB ARG 44 -9.590 7.980 -0.407 362 1HG ARG 44 1HG ARG 44 -10.222 5.894 0.153 363 2HG ARG 44 2HG ARG 44 -9.111 5.809 1.521 364 1HD ARG 44 1HD ARG 44 -11.447 7.650 1.682 365 2HD ARG 44 2HD ARG 44 -11.719 5.919 1.877 366 HE ARG 44 HE ARG 44 -9.636 6.496 3.553 367 1HH1 ARG 44 1HH1 ARG 44 -12.899 7.647 3.161 368 2HH1 ARG 44 2HH1 ARG 44 -13.103 8.031 4.837 369 1HH2 ARG 44 1HH2 ARG 44 -9.893 7.001 5.765 370 2HH2 ARG 44 2HH2 ARG 44 -11.395 7.665 6.316 371 H GLN 45 H GLN 45 -6.458 6.118 2.096 372 HA GLN 45 HA GLN 45 -5.990 8.323 3.977 373 1HB GLN 45 1HB GLN 45 -5.902 5.331 4.415 374 2HB GLN 45 2HB GLN 45 -5.608 6.544 5.652 375 1HG GLN 45 1HG GLN 45 -7.766 6.654 6.090 376 2HG GLN 45 2HG GLN 45 -8.102 7.115 4.421 377 1HE2 GLN 45 2HE2 GLN 45 -8.224 4.627 6.767 378 2HE2 GLN 45 1HE2 GLN 45 -8.961 3.418 5.779 379 H HIS 46 H HIS 46 -4.389 7.951 1.607 380 HA HIS 46 HA HIS 46 -2.221 7.820 0.915 381 1HB HIS 46 1HB HIS 46 -2.063 8.852 3.717 382 2HB HIS 46 2HB HIS 46 -0.568 8.458 2.874 383 HD1 HIS 46 HD1 HIS 46 -1.532 9.484 0.041 384 HD2 HIS 46 HD2 HIS 46 -1.774 11.592 3.613 385 HE1 HIS 46 HE1 HIS 46 -1.619 11.909 -0.616 386 HE2 HIS 46 HE2 HIS 46 -1.675 13.169 1.565 387 H ARG 47 H ARG 47 -3.171 5.344 1.297 388 HA ARG 47 HA ARG 47 -1.136 3.913 2.862 389 1HB ARG 47 1HB ARG 47 -3.626 3.489 3.227 390 2HB ARG 47 2HB ARG 47 -3.620 2.719 1.646 391 1HG ARG 47 1HG ARG 47 -1.624 1.358 2.687 392 2HG ARG 47 2HG ARG 47 -2.408 1.816 4.201 393 1HD ARG 47 1HD ARG 47 -3.698 0.368 1.889 394 2HD ARG 47 2HD ARG 47 -3.213 -0.347 3.427 395 HE ARG 47 HE ARG 47 -5.109 1.849 3.568 396 1HH1 ARG 47 1HH1 ARG 47 -4.595 -1.597 3.527 397 2HH1 ARG 47 2HH1 ARG 47 -6.126 -1.963 4.249 398 1HH2 ARG 47 1HH2 ARG 47 -7.127 1.376 4.517 399 2HH2 ARG 47 2HH2 ARG 47 -7.565 -0.273 4.810 400 H LEU 48 H LEU 48 0.608 3.615 1.603 401 HA LEU 48 HA LEU 48 0.196 2.604 -1.130 402 1HB LEU 48 1HB LEU 48 2.760 3.696 0.015 403 2HB LEU 48 2HB LEU 48 2.376 3.409 -1.672 404 HG LEU 48 HG LEU 48 1.253 5.568 0.107 405 1HD1 LEU 48 1HD1 LEU 48 3.568 5.762 -0.976 406 2HD1 LEU 48 2HD1 LEU 48 2.694 5.895 -2.502 407 3HD1 LEU 48 3HD1 LEU 48 2.425 7.082 -1.226 408 1HD2 LEU 48 1HD2 LEU 48 0.227 4.386 -2.384 409 2HD2 LEU 48 2HD2 LEU 48 -0.608 5.307 -1.132 410 3HD2 LEU 48 3HD2 LEU 48 0.329 6.147 -2.367 411 H PHE 49 H PHE 49 0.147 0.437 -1.065 412 HA PHE 49 HA PHE 49 2.322 -0.930 0.382 413 1HB PHE 49 1HB PHE 49 -0.588 -1.616 0.145 414 2HB PHE 49 2HB PHE 49 0.598 -2.891 0.399 415 HD1 PHE 49 HD1 PHE 49 2.204 -2.596 2.402 416 HD2 PHE 49 HD2 PHE 49 -1.461 -0.463 1.951 417 HE1 PHE 49 HE1 PHE 49 2.177 -2.140 4.825 418 HE2 PHE 49 HE2 PHE 49 -1.493 -0.002 4.373 419 HZ PHE 49 HZ PHE 49 0.327 -0.842 5.812 420 H CYS 50 H CYS 50 3.193 -2.807 -0.581 421 HA CYS 50 HA CYS 50 2.997 -2.792 -3.492 422 1HB CYS 50 1HB CYS 50 5.014 -3.724 -1.510 423 2HB CYS 50 2HB CYS 50 4.947 -4.562 -3.055 424 H ALA 51 H ALA 51 1.261 -3.955 -4.127 425 HA ALA 51 HA ALA 51 0.889 -6.637 -2.983 426 1HB ALA 51 1HB ALA 51 -1.015 -4.877 -4.520 427 2HB ALA 51 2HB ALA 51 -1.373 -6.525 -4.003 428 3HB ALA 51 3HB ALA 51 -1.077 -5.268 -2.802 429 H ASP 52 H ASP 52 1.405 -8.366 -4.146 430 HA ASP 52 HA ASP 52 2.597 -8.194 -6.685 431 1HB ASP 52 1HB ASP 52 2.575 -10.084 -4.774 432 2HB ASP 52 2HB ASP 52 1.393 -10.784 -5.874 433 HA PRO 53 HA PRO 53 -0.919 -7.951 -9.355 434 1HB PRO 53 1HB PRO 53 0.275 -8.879 -11.630 435 2HB PRO 53 2HB PRO 53 0.478 -7.236 -11.014 436 1HG PRO 53 1HG PRO 53 2.272 -9.606 -10.710 437 2HG PRO 53 2HG PRO 53 2.695 -7.922 -11.068 438 1HD PRO 53 1HD PRO 53 2.970 -8.959 -8.601 439 2HD PRO 53 2HD PRO 53 2.485 -7.269 -8.857 440 H LYS 54 H LYS 54 0.590 -10.802 -8.373 441 HA LYS 54 HA LYS 54 -0.950 -12.613 -10.008 442 1HB LYS 54 1HB LYS 54 0.205 -14.353 -8.931 443 2HB LYS 54 2HB LYS 54 1.380 -13.049 -9.047 444 1HG LYS 54 1HG LYS 54 1.650 -13.019 -6.851 445 2HG LYS 54 2HG LYS 54 -0.086 -12.845 -6.587 446 1HD LYS 54 1HD LYS 54 0.644 -15.534 -7.413 447 2HD LYS 54 2HD LYS 54 1.464 -15.041 -5.930 448 1HE LYS 54 1HE LYS 54 -0.715 -14.403 -4.970 449 2HE LYS 54 2HE LYS 54 -1.508 -14.971 -6.438 450 1HZ LYS 54 1HZ LYS 54 -0.200 -17.148 -5.854 451 2HZ LYS 54 2HZ LYS 54 -0.252 -16.513 -4.288 452 3HZ LYS 54 3HZ LYS 54 -1.689 -16.810 -5.130 453 H GLU 55 H GLU 55 -1.487 -10.840 -7.173 454 HA GLU 55 HA GLU 55 -3.342 -12.698 -5.972 455 1HB GLU 55 1HB GLU 55 -2.999 -9.780 -5.292 456 2HB GLU 55 2HB GLU 55 -3.654 -11.054 -4.273 457 1HG GLU 55 1HG GLU 55 -1.470 -12.100 -4.133 458 2HG GLU 55 2HG GLU 55 -0.800 -10.869 -5.205 459 H GLN 56 H GLN 56 -5.487 -12.784 -6.244 460 HA GLN 56 HA GLN 56 -6.725 -11.553 -8.432 461 1HB GLN 56 1HB GLN 56 -7.405 -13.685 -7.177 462 2HB GLN 56 2HB GLN 56 -8.224 -12.616 -6.047 463 1HG GLN 56 1HG GLN 56 -8.813 -13.066 -8.952 464 2HG GLN 56 2HG GLN 56 -9.868 -13.316 -7.562 465 1HE2 GLN 56 2HE2 GLN 56 -8.525 -11.014 -9.771 466 2HE2 GLN 56 1HE2 GLN 56 -9.523 -9.678 -9.317 467 H TRP 57 H TRP 57 -7.031 -10.834 -4.951 468 HA TRP 57 HA TRP 57 -8.899 -8.817 -5.079 469 1HB TRP 57 1HB TRP 57 -8.285 -8.246 -2.923 470 2HB TRP 57 2HB TRP 57 -7.656 -9.886 -3.041 471 HD1 TRP 57 HD1 TRP 57 -4.959 -10.128 -3.344 472 HE1 TRP 57 HE1 TRP 57 -3.050 -8.580 -2.577 473 HE3 TRP 57 HE3 TRP 57 -7.656 -5.854 -2.559 474 HZ2 TRP 57 HZ2 TRP 57 -2.733 -5.895 -1.745 475 HZ3 TRP 57 HZ3 TRP 57 -6.477 -3.836 -1.775 476 HH2 TRP 57 HH2 TRP 57 -4.064 -3.860 -1.375 477 H VAL 58 H VAL 58 -5.689 -8.787 -6.289 478 HA VAL 58 HA VAL 58 -5.516 -5.886 -6.366 479 HB VAL 58 HB VAL 58 -3.653 -7.957 -7.539 480 1HG1 VAL 58 1HG1 VAL 58 -3.690 -5.007 -7.552 481 2HG1 VAL 58 2HG1 VAL 58 -2.138 -5.765 -7.191 482 3HG1 VAL 58 3HG1 VAL 58 -2.974 -6.140 -8.697 483 1HG2 VAL 58 1HG2 VAL 58 -3.855 -8.050 -5.069 484 2HG2 VAL 58 2HG2 VAL 58 -2.247 -7.583 -5.621 485 3HG2 VAL 58 3HG2 VAL 58 -3.353 -6.361 -4.999 486 H LYS 59 H LYS 59 -5.873 -8.599 -8.624 487 HA LYS 59 HA LYS 59 -5.945 -7.011 -10.972 488 1HB LYS 59 1HB LYS 59 -7.295 -9.688 -10.644 489 2HB LYS 59 2HB LYS 59 -6.638 -8.980 -12.112 490 1HG LYS 59 1HG LYS 59 -4.376 -9.204 -11.201 491 2HG LYS 59 2HG LYS 59 -5.048 -9.942 -9.745 492 1HD LYS 59 1HD LYS 59 -6.165 -11.578 -11.457 493 2HD LYS 59 2HD LYS 59 -4.866 -11.032 -12.517 494 1HE LYS 59 1HE LYS 59 -3.241 -11.648 -10.730 495 2HE LYS 59 2HE LYS 59 -4.583 -12.338 -9.817 496 1HZ LYS 59 1HZ LYS 59 -4.984 -13.677 -11.962 497 2HZ LYS 59 2HZ LYS 59 -3.385 -13.276 -12.339 498 3HZ LYS 59 3HZ LYS 59 -3.730 -14.150 -10.931 499 H ASP 60 H ASP 60 -8.429 -8.256 -8.793 500 HA ASP 60 HA ASP 60 -10.619 -7.248 -10.334 501 1HB ASP 60 1HB ASP 60 -10.265 -8.708 -7.817 502 2HB ASP 60 2HB ASP 60 -11.587 -7.546 -7.765 503 H ALA 61 H ALA 61 -8.840 -6.187 -7.468 504 HA ALA 61 HA ALA 61 -10.352 -4.022 -6.728 505 1HB ALA 61 1HB ALA 61 -7.376 -4.438 -6.648 506 2HB ALA 61 2HB ALA 61 -8.154 -3.017 -5.950 507 3HB ALA 61 3HB ALA 61 -8.545 -4.624 -5.338 508 H MET 62 H MET 62 -7.790 -4.155 -9.175 509 HA MET 62 HA MET 62 -7.956 -1.426 -9.908 510 1HB MET 62 1HB MET 62 -6.917 -3.816 -11.438 511 2HB MET 62 2HB MET 62 -6.709 -2.147 -11.947 512 1HG MET 62 1HG MET 62 -5.700 -1.955 -9.491 513 2HG MET 62 2HG MET 62 -5.368 -3.659 -9.792 514 1HE MET 62 1HE MET 62 -4.230 -4.612 -11.456 515 2HE MET 62 2HE MET 62 -3.928 -3.824 -13.005 516 3HE MET 62 3HE MET 62 -2.618 -4.003 -11.837 517 H GLN 63 H GLN 63 -9.213 -4.366 -11.485 518 HA GLN 63 HA GLN 63 -10.507 -3.279 -13.627 519 1HB GLN 63 1HB GLN 63 -10.406 -5.740 -12.772 520 2HB GLN 63 2HB GLN 63 -11.913 -5.342 -11.957 521 1HG GLN 63 1HG GLN 63 -13.074 -5.092 -13.934 522 2HG GLN 63 2HG GLN 63 -11.612 -4.793 -14.874 523 1HE2 GLN 63 2HE2 GLN 63 -13.732 -6.664 -15.426 524 2HE2 GLN 63 1HE2 GLN 63 -13.015 -8.234 -15.461 525 H HIS 64 H HIS 64 -11.342 -3.036 -10.267 526 HA HIS 64 HA HIS 64 -13.995 -2.044 -10.682 527 1HB HIS 64 1HB HIS 64 -13.290 -3.188 -8.589 528 2HB HIS 64 2HB HIS 64 -12.245 -1.820 -8.227 529 HD1 HIS 64 HD1 HIS 64 -15.936 -2.204 -9.107 530 HD2 HIS 64 HD2 HIS 64 -13.448 -0.180 -6.465 531 HE1 HIS 64 HE1 HIS 64 -17.466 -0.827 -7.661 532 HE2 HIS 64 HE2 HIS 64 -15.933 0.450 -6.125 533 H LEU 65 H LEU 65 -10.922 -0.565 -9.688 534 HA LEU 65 HA LEU 65 -11.797 2.078 -9.565 535 1HB LEU 65 1HB LEU 65 -9.071 1.032 -10.332 536 2HB LEU 65 2HB LEU 65 -9.424 2.683 -9.862 537 HG LEU 65 HG LEU 65 -9.801 0.283 -8.070 538 1HD1 LEU 65 1HD1 LEU 65 -7.403 1.133 -8.833 539 2HD1 LEU 65 2HD1 LEU 65 -7.710 2.319 -7.564 540 3HD1 LEU 65 3HD1 LEU 65 -7.734 0.597 -7.186 541 1HD2 LEU 65 1HD2 LEU 65 -11.283 2.144 -7.539 542 2HD2 LEU 65 2HD2 LEU 65 -10.039 1.957 -6.303 543 3HD2 LEU 65 3HD2 LEU 65 -9.905 3.244 -7.502 544 H ASP 66 H ASP 66 -11.095 0.066 -12.289 545 HA ASP 66 HA ASP 66 -10.694 2.155 -14.187 546 1HB ASP 66 1HB ASP 66 -11.591 -0.683 -14.718 547 2HB ASP 66 2HB ASP 66 -10.842 0.422 -15.867 548 H ARG 67 H ARG 67 -13.393 1.259 -12.494 549 HA ARG 67 HA ARG 67 -15.206 2.121 -14.647 550 1HB ARG 67 1HB ARG 67 -15.625 0.311 -12.281 551 2HB ARG 67 2HB ARG 67 -16.982 1.072 -13.099 552 1HG ARG 67 1HG ARG 67 -16.545 -0.076 -15.111 553 2HG ARG 67 2HG ARG 67 -14.952 -0.594 -14.554 554 1HD ARG 67 1HD ARG 67 -16.340 -2.488 -14.359 555 2HD ARG 67 2HD ARG 67 -16.154 -1.861 -12.721 556 HE ARG 67 HE ARG 67 -18.436 -0.685 -13.648 557 1HH1 ARG 67 1HH1 ARG 67 -17.315 -3.965 -13.326 558 2HH1 ARG 67 2HH1 ARG 67 -18.900 -4.620 -13.088 559 1HH2 ARG 67 1HH2 ARG 67 -20.529 -1.537 -13.337 560 2HH2 ARG 67 2HH2 ARG 67 -20.728 -3.240 -13.095 561 H GLN 68 H GLN 68 -13.592 3.796 -12.797 562 HA GLN 68 HA GLN 68 -15.824 5.297 -11.606 563 1HB GLN 68 1HB GLN 68 -13.225 5.701 -10.316 564 2HB GLN 68 2HB GLN 68 -14.813 5.463 -9.600 565 1HG GLN 68 1HG GLN 68 -13.339 3.172 -10.825 566 2HG GLN 68 2HG GLN 68 -12.972 3.712 -9.188 567 1HE2 GLN 68 2HE2 GLN 68 -13.710 1.334 -9.027 568 2HE2 GLN 68 1HE2 GLN 68 -15.378 1.106 -8.642 569 H ALA 69 H ALA 69 -12.341 5.849 -12.105 570 HA ALA 69 HA ALA 69 -12.707 8.579 -12.792 571 1HB ALA 69 1HB ALA 69 -10.454 6.714 -12.554 572 2HB ALA 69 2HB ALA 69 -10.223 8.010 -13.729 573 3HB ALA 69 3HB ALA 69 -10.596 8.398 -12.048 574 H ALA 70 H ALA 70 -12.899 5.666 -14.588 575 HA ALA 70 HA ALA 70 -12.083 6.292 -17.118 576 1HB ALA 70 1HB ALA 70 -13.204 4.155 -16.226 577 2HB ALA 70 2HB ALA 70 -14.718 4.927 -16.695 578 3HB ALA 70 3HB ALA 70 -13.482 4.604 -17.909 579 H ALA 71 H ALA 71 -15.041 7.338 -15.507 580 HA ALA 71 HA ALA 71 -16.484 8.399 -17.577 581 1HB ALA 71 1HB ALA 71 -16.129 9.541 -14.810 582 2HB ALA 71 2HB ALA 71 -17.396 10.012 -15.941 583 3HB ALA 71 3HB ALA 71 -17.338 8.362 -15.321 584 H LEU 72 H LEU 72 -16.824 11.007 -17.579 585 HA LEU 72 HA LEU 72 -16.063 12.927 -18.534 586 1HB LEU 72 1HB LEU 72 -13.918 12.234 -16.566 587 2HB LEU 72 2HB LEU 72 -13.713 13.618 -17.623 588 HG LEU 72 HG LEU 72 -14.585 14.343 -15.487 589 1HD1 LEU 72 1HD1 LEU 72 -15.952 14.732 -17.989 590 2HD1 LEU 72 2HD1 LEU 72 -17.071 14.881 -16.635 591 3HD1 LEU 72 3HD1 LEU 72 -15.624 15.886 -16.698 592 1HD2 LEU 72 1HD2 LEU 72 -16.718 12.291 -16.007 593 2HD2 LEU 72 2HD2 LEU 72 -15.636 12.422 -14.621 594 3HD2 LEU 72 3HD2 LEU 72 -16.922 13.606 -14.849 595 H THR 73 H THR 73 -12.841 11.521 -18.224 596 HA THR 73 HA THR 73 -12.718 11.300 -21.159 597 HB THR 73 HB THR 73 -11.478 13.275 -20.453 598 HG1 THR 73 HG1 THR 73 -10.350 11.146 -21.673 599 1HG2 THR 73 1HG2 THR 73 -10.684 11.674 -18.253 600 2HG2 THR 73 2HG2 THR 73 -9.241 12.155 -19.145 601 3HG2 THR 73 3HG2 THR 73 -10.362 13.381 -18.553 602 H ARG 74 H ARG 74 -13.042 9.084 -21.176 603 HA ARG 74 HA ARG 74 -12.173 7.093 -19.615 604 1HB ARG 74 1HB ARG 74 -11.605 5.920 -21.969 605 2HB ARG 74 2HB ARG 74 -13.245 6.186 -21.395 606 1HG ARG 74 1HG ARG 74 -13.467 8.150 -22.741 607 2HG ARG 74 2HG ARG 74 -11.764 8.089 -23.194 608 1HD ARG 74 1HD ARG 74 -13.034 7.225 -25.021 609 2HD ARG 74 2HD ARG 74 -12.205 5.872 -24.254 610 HE ARG 74 HE ARG 74 -14.630 5.896 -23.043 611 1HH1 ARG 74 1HH1 ARG 74 -13.597 5.854 -26.368 612 2HH1 ARG 74 2HH1 ARG 74 -14.982 4.974 -26.922 613 1HH2 ARG 74 1HH2 ARG 74 -16.457 4.738 -23.761 614 2HH2 ARG 74 2HH2 ARG 74 -16.610 4.339 -25.439 615 H ASN 75 H ASN 75 -10.214 7.279 -22.509 616 HA ASN 75 HA ASN 75 -7.791 7.544 -20.870 617 1HB ASN 75 1HB ASN 75 -6.810 5.811 -22.576 618 2HB ASN 75 2HB ASN 75 -7.724 5.249 -21.179 619 1HD2 ASN 75 2HD2 ASN 75 -7.678 5.621 -24.615 620 2HD2 ASN 75 1HD2 ASN 75 -9.084 4.672 -24.946 621 H GLY 76 H GLY 76 -7.841 9.740 -21.681 622 1HA GLY 76 1HA GLY 76 -6.749 9.898 -24.418 623 2HA GLY 76 2HA GLY 76 -7.956 11.045 -23.855 Start of MODEL 4 1 2H MET 0 2H MET 0 21.596 4.151 -3.007 2 3H MET 0 3H MET 0 20.232 5.088 -3.458 3 1H MET 0 1H MET 0 21.817 5.693 -3.720 4 HA MET 0 HA MET 0 20.385 5.306 -1.191 5 1HB MET 0 1HB MET 0 23.317 5.472 -1.790 6 2HB MET 0 2HB MET 0 22.698 6.174 -0.303 7 1HG MET 0 1HG MET 0 21.690 3.958 0.234 8 2HG MET 0 2HG MET 0 22.521 3.302 -1.174 9 1HE MET 0 1HE MET 0 22.332 4.179 2.207 10 2HE MET 0 2HE MET 0 23.330 2.785 2.622 11 3HE MET 0 3HE MET 0 23.941 4.418 2.887 12 H GLN 1 H GLN 1 20.239 7.289 -0.001 13 HA GLN 1 HA GLN 1 20.911 9.744 -1.425 14 1HB GLN 1 1HB GLN 1 18.526 8.898 -2.000 15 2HB GLN 1 2HB GLN 1 18.118 9.418 -0.372 16 1HG GLN 1 1HG GLN 1 19.443 11.593 -1.380 17 2HG GLN 1 2HG GLN 1 18.567 10.984 -2.784 18 1HE2 GLN 1 2HE2 GLN 1 18.148 11.868 0.612 19 2HE2 GLN 1 1HE2 GLN 1 16.524 12.432 0.449 20 H HIS 2 H HIS 2 20.978 11.598 -0.097 21 HA HIS 2 HA HIS 2 21.681 11.060 2.618 22 1HB HIS 2 1HB HIS 2 22.143 13.450 2.768 23 2HB HIS 2 2HB HIS 2 22.812 12.795 1.276 24 HD1 HIS 2 HD1 HIS 2 22.361 14.185 -0.709 25 HD2 HIS 2 HD2 HIS 2 19.440 14.674 2.204 26 HE1 HIS 2 HE1 HIS 2 20.794 15.931 -1.615 27 HE2 HIS 2 HE2 HIS 2 19.081 16.271 0.201 28 H HIS 3 H HIS 3 20.605 11.531 4.487 29 HA HIS 3 HA HIS 3 18.868 11.962 5.891 30 1HB HIS 3 1HB HIS 3 18.169 13.806 3.615 31 2HB HIS 3 2HB HIS 3 17.121 13.649 5.022 32 HD1 HIS 3 HD1 HIS 3 20.697 14.604 4.190 33 HD2 HIS 3 HD2 HIS 3 17.828 15.212 7.133 34 HE1 HIS 3 HE1 HIS 3 21.688 16.306 5.753 35 HE2 HIS 3 HE2 HIS 3 19.896 16.728 7.472 36 H GLY 4 H GLY 4 18.764 9.621 4.406 37 1HA GLY 4 1HA GLY 4 16.488 8.402 4.858 38 2HA GLY 4 2HA GLY 4 15.994 9.377 3.482 39 H VAL 5 H VAL 5 18.018 6.732 4.555 40 HA VAL 5 HA VAL 5 18.518 6.004 1.747 41 HB VAL 5 HB VAL 5 20.363 4.627 2.533 42 1HG1 VAL 5 1HG1 VAL 5 20.222 7.515 3.049 43 2HG1 VAL 5 2HG1 VAL 5 21.560 6.680 3.840 44 3HG1 VAL 5 3HG1 VAL 5 21.374 6.585 2.089 45 1HG2 VAL 5 1HG2 VAL 5 19.054 4.926 5.059 46 2HG2 VAL 5 2HG2 VAL 5 20.373 3.845 4.609 47 3HG2 VAL 5 3HG2 VAL 5 20.724 5.472 5.191 48 H THR 6 H THR 6 16.323 5.135 1.656 49 HA THR 6 HA THR 6 16.089 2.525 3.001 50 HB THR 6 HB THR 6 14.330 4.020 3.714 51 HG1 THR 6 HG1 THR 6 13.915 1.709 2.689 52 1HG2 THR 6 1HG2 THR 6 14.053 4.596 0.818 53 2HG2 THR 6 2HG2 THR 6 12.603 4.601 1.820 54 3HG2 THR 6 3HG2 THR 6 13.946 5.677 2.207 55 H LYS 7 H LYS 7 16.840 3.875 0.107 56 HA LYS 7 HA LYS 7 17.063 3.032 -1.995 57 1HB LYS 7 1HB LYS 7 17.317 0.848 -0.430 58 2HB LYS 7 2HB LYS 7 15.885 0.394 -1.344 59 1HG LYS 7 1HG LYS 7 18.099 1.463 -2.950 60 2HG LYS 7 2HG LYS 7 18.425 -0.071 -2.140 61 1HD LYS 7 1HD LYS 7 15.800 -0.089 -3.325 62 2HD LYS 7 2HD LYS 7 17.020 0.330 -4.528 63 1HE LYS 7 1HE LYS 7 17.095 -2.075 -2.709 64 2HE LYS 7 2HE LYS 7 16.635 -2.092 -4.412 65 1HZ LYS 7 1HZ LYS 7 19.215 -0.903 -3.816 66 2HZ LYS 7 2HZ LYS 7 19.104 -2.569 -3.549 67 3HZ LYS 7 3HZ LYS 7 18.761 -1.935 -5.078 68 H CYS 8 H CYS 8 15.489 4.348 -2.889 69 HA CYS 8 HA CYS 8 13.641 4.742 -4.170 70 1HB CYS 8 1HB CYS 8 13.955 2.034 -4.401 71 2HB CYS 8 2HB CYS 8 12.328 2.146 -3.739 72 H ASN 9 H ASN 9 12.349 6.150 -3.192 73 HA ASN 9 HA ASN 9 11.391 6.315 -0.716 74 1HB ASN 9 1HB ASN 9 9.151 7.160 -2.015 75 2HB ASN 9 2HB ASN 9 10.614 8.123 -1.830 76 1HD2 ASN 9 2HD2 ASN 9 9.106 5.742 -3.967 77 2HD2 ASN 9 1HD2 ASN 9 9.744 6.395 -5.433 78 H ILE 10 H ILE 10 10.102 4.176 -3.184 79 HA ILE 10 HA ILE 10 8.528 2.829 -1.101 80 HB ILE 10 HB ILE 10 7.047 4.262 -2.525 81 1HG1 ILE 10 1HG1 ILE 10 6.306 1.426 -3.078 82 2HG1 ILE 10 2HG1 ILE 10 6.550 1.902 -1.400 83 1HG2 ILE 10 1HG2 ILE 10 8.366 3.863 -4.623 84 2HG2 ILE 10 2HG2 ILE 10 7.642 2.256 -4.690 85 3HG2 ILE 10 3HG2 ILE 10 6.620 3.689 -4.795 86 1HD1 ILE 10 1HD1 ILE 10 4.800 3.580 -3.109 87 2HD1 ILE 10 2HD1 ILE 10 4.193 2.033 -2.520 88 3HD1 ILE 10 3HD1 ILE 10 4.730 3.264 -1.376 89 H THR 11 H THR 11 8.842 0.700 -1.032 90 HA THR 11 HA THR 11 9.969 -0.628 -3.407 91 HB THR 11 HB THR 11 11.709 -0.326 -1.703 92 HG1 THR 11 HG1 THR 11 10.958 -3.042 -1.651 93 1HG2 THR 11 1HG2 THR 11 9.770 -1.747 0.084 94 2HG2 THR 11 2HG2 THR 11 11.507 -1.754 0.385 95 3HG2 THR 11 3HG2 THR 11 10.625 -0.229 0.361 96 H CYS 12 H CYS 12 9.746 -3.099 -3.183 97 HA CYS 12 HA CYS 12 7.012 -3.661 -2.249 98 1HB CYS 12 1HB CYS 12 8.641 -4.862 -4.486 99 2HB CYS 12 2HB CYS 12 7.154 -5.595 -3.897 100 H SER 13 H SER 13 9.312 -3.754 -0.520 101 HA SER 13 HA SER 13 10.329 -6.334 -0.152 102 1HB SER 13 1HB SER 13 11.197 -4.259 0.951 103 2HB SER 13 2HB SER 13 9.794 -4.292 2.017 104 HG SER 13 HG SER 13 10.545 -6.094 2.975 105 H LYS 14 H LYS 14 8.656 -7.827 -0.425 106 HA LYS 14 HA LYS 14 7.289 -9.413 0.551 107 1HB LYS 14 1HB LYS 14 8.154 -8.444 2.777 108 2HB LYS 14 2HB LYS 14 6.665 -7.509 2.793 109 1HG LYS 14 1HG LYS 14 6.634 -9.660 4.095 110 2HG LYS 14 2HG LYS 14 5.329 -9.448 2.925 111 1HD LYS 14 1HD LYS 14 6.159 -11.056 1.507 112 2HD LYS 14 2HD LYS 14 7.820 -10.840 2.063 113 1HE LYS 14 1HE LYS 14 7.493 -12.145 3.950 114 2HE LYS 14 2HE LYS 14 5.745 -11.925 3.921 115 1HZ LYS 14 1HZ LYS 14 6.217 -13.181 1.583 116 2HZ LYS 14 2HZ LYS 14 7.370 -13.897 2.592 117 3HZ LYS 14 3HZ LYS 14 5.733 -13.950 3.012 118 H MET 15 H MET 15 5.044 -9.799 0.473 119 HA MET 15 HA MET 15 3.573 -7.705 -0.898 120 1HB MET 15 1HB MET 15 2.956 -10.611 -0.353 121 2HB MET 15 2HB MET 15 1.851 -9.526 -1.185 122 1HG MET 15 1HG MET 15 4.654 -10.068 -2.123 123 2HG MET 15 2HG MET 15 3.249 -10.989 -2.657 124 1HE MET 15 1HE MET 15 5.621 -9.010 -3.566 125 2HE MET 15 2HE MET 15 4.981 -8.773 -5.192 126 3HE MET 15 3HE MET 15 5.114 -7.404 -4.089 127 H THR 16 H THR 16 1.691 -6.765 -0.195 128 HA THR 16 HA THR 16 1.321 -6.626 2.644 129 HB THR 16 HB THR 16 1.033 -4.718 0.982 130 HG1 THR 16 HG1 THR 16 -0.387 -3.757 2.318 131 1HG2 THR 16 1HG2 THR 16 -1.613 -6.078 0.540 132 2HG2 THR 16 2HG2 THR 16 -1.238 -4.416 0.088 133 3HG2 THR 16 3HG2 THR 16 -0.372 -5.751 -0.669 134 H SER 17 H SER 17 -1.378 -6.367 2.989 135 HA SER 17 HA SER 17 -2.292 -9.133 2.603 136 1HB SER 17 1HB SER 17 -3.579 -7.240 4.539 137 2HB SER 17 2HB SER 17 -3.444 -8.997 4.616 138 HG SER 17 HG SER 17 -1.090 -8.544 4.843 139 H LYS 18 H LYS 18 -4.935 -8.989 2.959 140 HA LYS 18 HA LYS 18 -5.858 -7.947 0.472 141 1HB LYS 18 1HB LYS 18 -6.696 -9.942 2.118 142 2HB LYS 18 2HB LYS 18 -7.875 -8.693 2.493 143 1HG LYS 18 1HG LYS 18 -7.261 -9.571 -0.315 144 2HG LYS 18 2HG LYS 18 -8.515 -10.314 0.678 145 1HD LYS 18 1HD LYS 18 -9.106 -7.675 0.960 146 2HD LYS 18 2HD LYS 18 -8.481 -7.717 -0.690 147 1HE LYS 18 1HE LYS 18 -10.964 -8.065 -0.457 148 2HE LYS 18 2HE LYS 18 -10.101 -9.307 -1.362 149 1HZ LYS 18 1HZ LYS 18 -10.371 -9.793 1.485 150 2HZ LYS 18 2HZ LYS 18 -11.817 -9.829 0.608 151 3HZ LYS 18 3HZ LYS 18 -10.542 -10.859 0.184 152 H ILE 19 H ILE 19 -7.203 -6.232 0.045 153 HA ILE 19 HA ILE 19 -8.055 -4.516 2.246 154 HB ILE 19 HB ILE 19 -6.690 -3.197 -0.066 155 1HG1 ILE 19 1HG1 ILE 19 -5.326 -4.252 2.422 156 2HG1 ILE 19 2HG1 ILE 19 -5.036 -4.785 0.769 157 1HG2 ILE 19 1HG2 ILE 19 -7.126 -2.432 2.818 158 2HG2 ILE 19 2HG2 ILE 19 -6.312 -1.438 1.611 159 3HG2 ILE 19 3HG2 ILE 19 -8.021 -1.827 1.424 160 1HD1 ILE 19 1HD1 ILE 19 -4.642 -2.000 0.805 161 2HD1 ILE 19 2HD1 ILE 19 -3.811 -2.662 2.212 162 3HD1 ILE 19 3HD1 ILE 19 -3.438 -3.274 0.600 163 HA PRO 20 HA PRO 20 -11.648 -4.270 -0.323 164 1HB PRO 20 1HB PRO 20 -12.805 -2.092 0.845 165 2HB PRO 20 2HB PRO 20 -12.837 -3.706 1.550 166 1HG PRO 20 1HG PRO 20 -11.067 -1.405 2.190 167 2HG PRO 20 2HG PRO 20 -11.844 -2.555 3.289 168 1HD PRO 20 1HD PRO 20 -9.234 -2.738 2.603 169 2HD PRO 20 2HD PRO 20 -10.232 -4.167 2.943 170 H VAL 21 H VAL 21 -11.725 -3.508 -2.332 171 HA VAL 21 HA VAL 21 -10.136 -1.507 -3.384 172 HB VAL 21 HB VAL 21 -11.310 -3.168 -4.767 173 1HG1 VAL 21 1HG1 VAL 21 -13.694 -1.732 -3.731 174 2HG1 VAL 21 2HG1 VAL 21 -13.750 -2.353 -5.381 175 3HG1 VAL 21 3HG1 VAL 21 -13.451 -3.452 -4.035 176 1HG2 VAL 21 1HG2 VAL 21 -10.760 -0.541 -5.396 177 2HG2 VAL 21 2HG2 VAL 21 -11.099 -1.837 -6.544 178 3HG2 VAL 21 3HG2 VAL 21 -12.399 -0.774 -6.003 179 H ALA 22 H ALA 22 -13.106 -1.238 -1.635 180 HA ALA 22 HA ALA 22 -13.960 1.291 -2.529 181 1HB ALA 22 1HB ALA 22 -14.398 -0.135 0.087 182 2HB ALA 22 2HB ALA 22 -15.194 1.374 -0.355 183 3HB ALA 22 3HB ALA 22 -15.478 -0.084 -1.305 184 H LEU 23 H LEU 23 -11.223 0.410 -0.780 185 HA LEU 23 HA LEU 23 -10.980 3.067 0.450 186 1HB LEU 23 1HB LEU 23 -9.604 0.445 0.984 187 2HB LEU 23 2HB LEU 23 -8.987 1.960 1.614 188 HG LEU 23 HG LEU 23 -10.538 0.442 3.078 189 1HD1 LEU 23 1HD1 LEU 23 -10.471 3.409 2.820 190 2HD1 LEU 23 2HD1 LEU 23 -11.572 2.670 3.983 191 3HD1 LEU 23 3HD1 LEU 23 -9.838 2.372 4.099 192 1HD2 LEU 23 1HD2 LEU 23 -12.320 0.354 1.345 193 2HD2 LEU 23 2HD2 LEU 23 -12.874 0.938 2.913 194 3HD2 LEU 23 3HD2 LEU 23 -12.588 2.079 1.599 195 H LEU 24 H LEU 24 -9.826 1.107 -2.101 196 HA LEU 24 HA LEU 24 -7.269 2.336 -2.427 197 1HB LEU 24 1HB LEU 24 -8.974 0.758 -4.354 198 2HB LEU 24 2HB LEU 24 -7.328 1.264 -4.677 199 HG LEU 24 HG LEU 24 -8.318 -0.813 -2.758 200 1HD1 LEU 24 1HD1 LEU 24 -7.599 -1.307 -5.132 201 2HD1 LEU 24 2HD1 LEU 24 -5.967 -0.865 -4.631 202 3HD1 LEU 24 3HD1 LEU 24 -6.787 -2.226 -3.865 203 1HD2 LEU 24 1HD2 LEU 24 -5.944 0.937 -2.460 204 2HD2 LEU 24 2HD2 LEU 24 -6.937 0.152 -1.233 205 3HD2 LEU 24 3HD2 LEU 24 -5.737 -0.782 -2.126 206 H ILE 25 H ILE 25 -6.779 4.226 -3.332 207 HA ILE 25 HA ILE 25 -8.907 5.670 -4.761 208 HB ILE 25 HB ILE 25 -7.684 7.723 -4.240 209 1HG1 ILE 25 1HG1 ILE 25 -5.799 5.903 -2.722 210 2HG1 ILE 25 2HG1 ILE 25 -5.412 6.780 -4.200 211 1HG2 ILE 25 1HG2 ILE 25 -9.388 6.835 -2.687 212 2HG2 ILE 25 2HG2 ILE 25 -8.105 6.044 -1.774 213 3HG2 ILE 25 3HG2 ILE 25 -8.158 7.803 -1.878 214 1HD1 ILE 25 1HD1 ILE 25 -6.413 8.464 -2.033 215 2HD1 ILE 25 2HD1 ILE 25 -4.888 7.650 -1.688 216 3HD1 ILE 25 3HD1 ILE 25 -5.033 8.687 -3.106 217 H HIS 26 H HIS 26 -5.663 4.443 -5.019 218 HA HIS 26 HA HIS 26 -5.696 4.848 -7.870 219 1HB HIS 26 1HB HIS 26 -4.419 6.789 -6.229 220 2HB HIS 26 2HB HIS 26 -3.160 5.877 -7.053 221 HD1 HIS 26 HD1 HIS 26 -4.486 5.438 -9.775 222 HD2 HIS 26 HD2 HIS 26 -4.545 9.054 -7.729 223 HE1 HIS 26 HE1 HIS 26 -4.874 7.197 -11.530 224 HE2 HIS 26 HE2 HIS 26 -4.963 9.372 -10.261 225 H TYR 27 H TYR 27 -4.359 3.447 -8.951 226 HA TYR 27 HA TYR 27 -2.737 1.648 -7.273 227 1HB TYR 27 1HB TYR 27 -3.413 -0.216 -8.549 228 2HB TYR 27 2HB TYR 27 -4.894 0.697 -8.278 229 HD1 TYR 27 HD1 TYR 27 -5.905 2.001 -10.126 230 HD2 TYR 27 HD2 TYR 27 -2.520 -0.512 -10.751 231 HE1 TYR 27 HE1 TYR 27 -6.314 2.066 -12.554 232 HE2 TYR 27 HE2 TYR 27 -2.918 -0.453 -13.181 233 HH TYR 27 HH TYR 27 -4.816 1.751 -14.682 234 H GLN 28 H GLN 28 -0.687 2.230 -7.620 235 HA GLN 28 HA GLN 28 0.172 3.025 -10.292 236 1HB GLN 28 1HB GLN 28 2.213 2.922 -8.193 237 2HB GLN 28 2HB GLN 28 1.783 4.231 -9.284 238 1HG GLN 28 1HG GLN 28 -0.360 4.226 -7.632 239 2HG GLN 28 2HG GLN 28 0.914 3.699 -6.534 240 1HE2 GLN 28 2HE2 GLN 28 0.417 5.750 -5.478 241 2HE2 GLN 28 1HE2 GLN 28 1.190 7.186 -6.044 242 H GLN 29 H GLN 29 2.695 2.274 -10.528 243 HA GLN 29 HA GLN 29 2.701 -0.656 -10.242 244 1HB GLN 29 1HB GLN 29 2.537 0.773 -12.638 245 2HB GLN 29 2HB GLN 29 4.215 0.261 -12.536 246 1HG GLN 29 1HG GLN 29 3.607 -1.720 -13.295 247 2HG GLN 29 2HG GLN 29 2.690 -1.970 -11.811 248 1HE2 GLN 29 2HE2 GLN 29 0.549 -0.535 -11.931 249 2HE2 GLN 29 1HE2 GLN 29 -0.397 -0.840 -13.346 250 H ASN 30 H ASN 30 4.589 -1.591 -9.607 251 HA ASN 30 HA ASN 30 6.482 -0.078 -8.226 252 1HB ASN 30 1HB ASN 30 6.133 -2.423 -7.718 253 2HB ASN 30 2HB ASN 30 6.686 -2.888 -9.323 254 1HD2 ASN 30 2HD2 ASN 30 7.659 -1.545 -6.242 255 2HD2 ASN 30 1HD2 ASN 30 9.340 -1.913 -6.397 256 H GLN 31 H GLN 31 8.520 0.651 -8.695 257 HA GLN 31 HA GLN 31 9.068 1.217 -11.454 258 1HB GLN 31 1HB GLN 31 10.180 2.011 -8.830 259 2HB GLN 31 2HB GLN 31 11.308 2.038 -10.179 260 1HG GLN 31 1HG GLN 31 10.417 3.891 -11.017 261 2HG GLN 31 2HG GLN 31 8.774 3.277 -10.844 262 1HE2 GLN 31 2HE2 GLN 31 7.830 5.066 -10.017 263 2HE2 GLN 31 1HE2 GLN 31 8.240 5.761 -8.489 264 H ALA 32 H ALA 32 10.334 0.130 -12.816 265 HA ALA 32 HA ALA 32 11.412 -2.392 -12.144 266 1HB ALA 32 1HB ALA 32 11.618 -0.623 -14.553 267 2HB ALA 32 2HB ALA 32 12.549 -2.117 -14.442 268 3HB ALA 32 3HB ALA 32 10.788 -2.169 -14.374 269 H SER 33 H SER 33 12.777 -1.921 -10.331 270 HA SER 33 HA SER 33 15.450 -1.969 -10.741 271 1HB SER 33 1HB SER 33 14.484 0.661 -11.287 272 2HB SER 33 2HB SER 33 15.532 0.714 -9.872 273 HG SER 33 HG SER 33 16.634 -0.863 -11.726 274 H CYS 34 H CYS 34 12.820 -0.925 -8.758 275 HA CYS 34 HA CYS 34 14.459 -1.280 -6.342 276 1HB CYS 34 1HB CYS 34 11.706 -0.086 -6.318 277 2HB CYS 34 2HB CYS 34 13.034 0.164 -5.190 278 H GLY 35 H GLY 35 13.756 -2.636 -4.685 279 1HA GLY 35 1HA GLY 35 12.997 -4.739 -4.058 280 2HA GLY 35 2HA GLY 35 11.454 -3.913 -4.207 281 H LYS 36 H LYS 36 10.329 -5.736 -4.858 282 HA LYS 36 HA LYS 36 11.207 -7.124 -7.267 283 1HB LYS 36 1HB LYS 36 8.721 -7.692 -5.659 284 2HB LYS 36 2HB LYS 36 9.561 -8.768 -6.766 285 1HG LYS 36 1HG LYS 36 10.505 -9.636 -4.952 286 2HG LYS 36 2HG LYS 36 11.495 -8.177 -4.913 287 1HD LYS 36 1HD LYS 36 10.223 -7.195 -3.252 288 2HD LYS 36 2HD LYS 36 8.798 -8.168 -3.629 289 1HE LYS 36 1HE LYS 36 9.871 -8.810 -1.497 290 2HE LYS 36 2HE LYS 36 9.822 -10.126 -2.670 291 1HZ LYS 36 1HZ LYS 36 12.215 -8.649 -2.962 292 2HZ LYS 36 2HZ LYS 36 12.042 -9.135 -1.349 293 3HZ LYS 36 3HZ LYS 36 12.016 -10.287 -2.587 294 H ARG 37 H ARG 37 9.827 -7.394 -9.098 295 HA ARG 37 HA ARG 37 8.512 -4.990 -9.873 296 1HB ARG 37 1HB ARG 37 7.920 -6.314 -11.933 297 2HB ARG 37 2HB ARG 37 9.638 -6.225 -11.572 298 1HG ARG 37 1HG ARG 37 9.812 -8.433 -11.359 299 2HG ARG 37 2HG ARG 37 8.359 -8.536 -10.362 300 1HD ARG 37 1HD ARG 37 7.208 -8.038 -12.713 301 2HD ARG 37 2HD ARG 37 8.682 -8.810 -13.297 302 HE ARG 37 HE ARG 37 6.480 -10.070 -11.956 303 1HH1 ARG 37 1HH1 ARG 37 9.894 -10.257 -12.616 304 2HH1 ARG 37 2HH1 ARG 37 9.974 -11.973 -12.395 305 1HH2 ARG 37 1HH2 ARG 37 6.574 -12.330 -11.664 306 2HH2 ARG 37 2HH2 ARG 37 8.088 -13.152 -11.855 307 H ALA 38 H ALA 38 6.940 -4.932 -8.095 308 HA ALA 38 HA ALA 38 4.613 -6.670 -8.604 309 1HB ALA 38 1HB ALA 38 5.921 -6.479 -6.273 310 2HB ALA 38 2HB ALA 38 4.762 -5.167 -6.064 311 3HB ALA 38 3HB ALA 38 4.191 -6.805 -6.384 312 H ILE 39 H ILE 39 2.690 -5.262 -7.245 313 HA ILE 39 HA ILE 39 2.410 -2.868 -8.931 314 HB ILE 39 HB ILE 39 0.306 -4.597 -7.629 315 1HG1 ILE 39 1HG1 ILE 39 1.577 -5.269 -9.813 316 2HG1 ILE 39 2HG1 ILE 39 -0.177 -5.427 -9.743 317 1HG2 ILE 39 1HG2 ILE 39 -0.377 -2.265 -7.558 318 2HG2 ILE 39 2HG2 ILE 39 -0.034 -2.097 -9.280 319 3HG2 ILE 39 3HG2 ILE 39 -1.337 -3.157 -8.740 320 1HD1 ILE 39 1HD1 ILE 39 1.287 -3.090 -10.945 321 2HD1 ILE 39 2HD1 ILE 39 0.638 -4.455 -11.852 322 3HD1 ILE 39 3HD1 ILE 39 -0.452 -3.381 -10.975 323 H ILE 40 H ILE 40 1.455 -0.967 -8.039 324 HA ILE 40 HA ILE 40 1.982 -0.685 -5.160 325 HB ILE 40 HB ILE 40 1.560 1.656 -6.974 326 1HG1 ILE 40 1HG1 ILE 40 3.234 0.044 -8.009 327 2HG1 ILE 40 2HG1 ILE 40 3.822 1.673 -7.695 328 1HG2 ILE 40 1HG2 ILE 40 2.302 1.238 -4.270 329 2HG2 ILE 40 2HG2 ILE 40 3.676 1.960 -5.107 330 3HG2 ILE 40 3HG2 ILE 40 2.105 2.763 -5.132 331 1HD1 ILE 40 1HD1 ILE 40 4.280 -0.106 -5.457 332 2HD1 ILE 40 2HD1 ILE 40 5.032 -0.680 -6.945 333 3HD1 ILE 40 3HD1 ILE 40 5.405 0.931 -6.333 334 H LEU 41 H LEU 41 0.355 -0.363 -3.796 335 HA LEU 41 HA LEU 41 -2.271 0.370 -4.909 336 1HB LEU 41 1HB LEU 41 -1.495 -1.434 -2.639 337 2HB LEU 41 2HB LEU 41 -3.102 -0.740 -2.730 338 HG LEU 41 HG LEU 41 -1.826 -2.775 -4.515 339 1HD1 LEU 41 1HD1 LEU 41 -3.898 -2.703 -2.542 340 2HD1 LEU 41 2HD1 LEU 41 -4.568 -3.211 -4.093 341 3HD1 LEU 41 3HD1 LEU 41 -3.210 -4.089 -3.390 342 1HD2 LEU 41 1HD2 LEU 41 -4.125 -0.966 -5.241 343 2HD2 LEU 41 2HD2 LEU 41 -2.575 -1.105 -6.071 344 3HD2 LEU 41 3HD2 LEU 41 -3.713 -2.453 -6.095 345 H GLU 42 H GLU 42 -3.006 2.300 -4.359 346 HA GLU 42 HA GLU 42 -2.021 3.528 -1.867 347 1HB GLU 42 1HB GLU 42 -1.218 4.726 -3.824 348 2HB GLU 42 2HB GLU 42 -2.855 4.852 -4.453 349 1HG GLU 42 1HG GLU 42 -3.408 6.149 -2.347 350 2HG GLU 42 2HG GLU 42 -1.669 6.230 -2.068 351 H THR 43 H THR 43 -3.496 3.959 -0.350 352 HA THR 43 HA THR 43 -6.331 3.792 -1.109 353 HB THR 43 HB THR 43 -6.810 3.191 1.161 354 HG1 THR 43 HG1 THR 43 -4.852 4.645 1.845 355 1HG2 THR 43 1HG2 THR 43 -4.315 1.763 0.277 356 2HG2 THR 43 2HG2 THR 43 -5.395 1.224 1.562 357 3HG2 THR 43 3HG2 THR 43 -5.982 1.319 -0.098 358 H ARG 44 H ARG 44 -7.831 5.163 0.218 359 HA ARG 44 HA ARG 44 -7.167 7.892 -0.111 360 1HB ARG 44 1HB ARG 44 -9.335 8.342 0.943 361 2HB ARG 44 2HB ARG 44 -9.468 7.086 -0.281 362 1HG ARG 44 1HG ARG 44 -9.264 5.420 1.628 363 2HG ARG 44 2HG ARG 44 -9.532 6.793 2.703 364 1HD ARG 44 1HD ARG 44 -11.426 6.496 0.457 365 2HD ARG 44 2HD ARG 44 -11.513 5.269 1.720 366 HE ARG 44 HE ARG 44 -11.456 7.776 2.949 367 1HH1 ARG 44 1HH1 ARG 44 -13.540 5.887 0.897 368 2HH1 ARG 44 2HH1 ARG 44 -14.997 6.614 1.487 369 1HH2 ARG 44 1HH2 ARG 44 -13.368 8.740 3.735 370 2HH2 ARG 44 2HH2 ARG 44 -14.899 8.239 3.100 371 H GLN 45 H GLN 45 -6.310 5.733 2.288 372 HA GLN 45 HA GLN 45 -6.109 7.810 4.349 373 1HB GLN 45 1HB GLN 45 -5.908 4.800 4.491 374 2HB GLN 45 2HB GLN 45 -5.557 5.861 5.847 375 1HG GLN 45 1HG GLN 45 -7.802 6.623 5.945 376 2HG GLN 45 2HG GLN 45 -8.195 5.840 4.415 377 1HE2 GLN 45 1HE2 GLN 45 -7.285 3.369 4.622 378 2HE2 GLN 45 2HE2 GLN 45 -8.005 2.530 5.950 379 H HIS 46 H HIS 46 -4.356 7.399 1.921 380 HA HIS 46 HA HIS 46 -2.151 7.618 1.397 381 1HB HIS 46 1HB HIS 46 -1.942 8.171 4.363 382 2HB HIS 46 2HB HIS 46 -0.604 8.355 3.234 383 HD1 HIS 46 HD1 HIS 46 -2.496 9.640 0.963 384 HD2 HIS 46 HD2 HIS 46 -2.082 10.900 4.900 385 HE1 HIS 46 HE1 HIS 46 -3.180 12.060 0.970 386 HE2 HIS 46 HE2 HIS 46 -2.986 12.783 3.376 387 H ARG 47 H ARG 47 -3.046 5.055 1.600 388 HA ARG 47 HA ARG 47 -0.958 3.603 3.071 389 1HB ARG 47 1HB ARG 47 -3.435 3.069 3.393 390 2HB ARG 47 2HB ARG 47 -3.393 2.403 1.767 391 1HG ARG 47 1HG ARG 47 -1.313 1.106 2.809 392 2HG ARG 47 2HG ARG 47 -2.264 1.347 4.275 393 1HD ARG 47 1HD ARG 47 -3.746 0.410 1.905 394 2HD ARG 47 2HD ARG 47 -2.591 -0.731 2.587 395 HE ARG 47 HE ARG 47 -5.043 0.218 3.809 396 1HH1 ARG 47 1HH1 ARG 47 -2.012 -1.445 4.222 397 2HH1 ARG 47 2HH1 ARG 47 -2.513 -2.277 5.656 398 1HH2 ARG 47 1HH2 ARG 47 -5.716 -0.871 5.697 399 2HH2 ARG 47 2HH2 ARG 47 -4.620 -1.951 6.495 400 H LEU 48 H LEU 48 0.799 3.485 1.783 401 HA LEU 48 HA LEU 48 0.416 2.588 -0.994 402 1HB LEU 48 1HB LEU 48 3.034 3.645 -0.063 403 2HB LEU 48 2HB LEU 48 2.273 3.773 -1.636 404 HG LEU 48 HG LEU 48 1.337 5.313 0.781 405 1HD1 LEU 48 1HD1 LEU 48 3.477 5.882 -1.205 406 2HD1 LEU 48 2HD1 LEU 48 2.452 7.212 -0.665 407 3HD1 LEU 48 3HD1 LEU 48 3.385 6.284 0.510 408 1HD2 LEU 48 1HD2 LEU 48 0.706 5.401 -2.156 409 2HD2 LEU 48 2HD2 LEU 48 -0.401 5.183 -0.800 410 3HD2 LEU 48 3HD2 LEU 48 0.361 6.750 -1.073 411 H PHE 49 H PHE 49 0.630 0.448 -1.135 412 HA PHE 49 HA PHE 49 2.987 -0.787 0.110 413 1HB PHE 49 1HB PHE 49 0.147 -1.799 0.199 414 2HB PHE 49 2HB PHE 49 1.533 -2.841 0.497 415 HD1 PHE 49 HD1 PHE 49 0.148 0.437 1.613 416 HD2 PHE 49 HD2 PHE 49 2.210 -3.139 2.677 417 HE1 PHE 49 HE1 PHE 49 0.153 1.149 3.970 418 HE2 PHE 49 HE2 PHE 49 2.221 -2.435 5.041 419 HZ PHE 49 HZ PHE 49 1.193 -0.287 5.689 420 H CYS 50 H CYS 50 3.052 -3.216 -0.803 421 HA CYS 50 HA CYS 50 2.744 -2.982 -3.723 422 1HB CYS 50 1HB CYS 50 4.991 -3.982 -2.043 423 2HB CYS 50 2HB CYS 50 4.690 -4.795 -3.574 424 H ALA 51 H ALA 51 1.230 -4.284 -4.487 425 HA ALA 51 HA ALA 51 0.686 -6.810 -3.077 426 1HB ALA 51 1HB ALA 51 -1.084 -4.865 -3.597 427 2HB ALA 51 2HB ALA 51 -1.250 -5.813 -5.072 428 3HB ALA 51 3HB ALA 51 -1.523 -6.570 -3.503 429 H ASP 52 H ASP 52 0.097 -8.670 -4.394 430 HA ASP 52 HA ASP 52 1.805 -8.847 -6.745 431 1HB ASP 52 1HB ASP 52 1.243 -10.602 -4.680 432 2HB ASP 52 2HB ASP 52 0.319 -11.259 -6.029 433 HA PRO 53 HA PRO 53 -1.539 -8.094 -9.577 434 1HB PRO 53 1HB PRO 53 0.171 -9.761 -11.355 435 2HB PRO 53 2HB PRO 53 -0.524 -8.161 -11.637 436 1HG PRO 53 1HG PRO 53 2.070 -8.444 -11.091 437 2HG PRO 53 2HG PRO 53 1.140 -7.080 -10.443 438 1HD PRO 53 1HD PRO 53 2.080 -9.557 -9.071 439 2HD PRO 53 2HD PRO 53 1.937 -7.902 -8.443 440 H LYS 54 H LYS 54 -0.305 -11.201 -8.672 441 HA LYS 54 HA LYS 54 -2.297 -12.718 -10.090 442 1HB LYS 54 1HB LYS 54 -0.427 -13.563 -7.868 443 2HB LYS 54 2HB LYS 54 -1.386 -14.644 -8.870 444 1HG LYS 54 1HG LYS 54 0.899 -12.896 -9.743 445 2HG LYS 54 2HG LYS 54 0.853 -14.660 -9.684 446 1HD LYS 54 1HD LYS 54 -1.332 -13.910 -11.259 447 2HD LYS 54 2HD LYS 54 -0.004 -12.869 -11.776 448 1HE LYS 54 1HE LYS 54 0.265 -14.725 -13.132 449 2HE LYS 54 2HE LYS 54 1.374 -15.064 -11.804 450 1HZ LYS 54 1HZ LYS 54 -0.924 -16.160 -10.930 451 2HZ LYS 54 2HZ LYS 54 -1.027 -16.451 -12.594 452 3HZ LYS 54 3HZ LYS 54 0.309 -17.010 -11.718 453 H GLU 55 H GLU 55 -2.100 -11.076 -7.085 454 HA GLU 55 HA GLU 55 -3.915 -12.574 -5.548 455 1HB GLU 55 1HB GLU 55 -3.454 -9.587 -5.453 456 2HB GLU 55 2HB GLU 55 -4.141 -10.579 -4.174 457 1HG GLU 55 1HG GLU 55 -1.821 -11.850 -4.467 458 2HG GLU 55 2HG GLU 55 -1.328 -10.253 -5.025 459 H GLN 56 H GLN 56 -6.064 -12.780 -5.616 460 HA GLN 56 HA GLN 56 -7.589 -11.933 -7.780 461 1HB GLN 56 1HB GLN 56 -8.143 -13.813 -6.221 462 2HB GLN 56 2HB GLN 56 -8.647 -12.619 -5.034 463 1HG GLN 56 1HG GLN 56 -9.865 -13.015 -7.759 464 2HG GLN 56 2HG GLN 56 -10.547 -13.566 -6.230 465 1HE2 GLN 56 2HE2 GLN 56 -10.157 -10.950 -8.391 466 2HE2 GLN 56 1HE2 GLN 56 -11.049 -9.773 -7.495 467 H TRP 57 H TRP 57 -7.738 -10.687 -4.437 468 HA TRP 57 HA TRP 57 -9.536 -8.633 -4.874 469 1HB TRP 57 1HB TRP 57 -8.825 -7.709 -2.810 470 2HB TRP 57 2HB TRP 57 -8.600 -9.449 -2.660 471 HD1 TRP 57 HD1 TRP 57 -5.988 -10.331 -2.949 472 HE1 TRP 57 HE1 TRP 57 -3.801 -9.176 -2.236 473 HE3 TRP 57 HE3 TRP 57 -7.709 -5.532 -2.504 474 HZ2 TRP 57 HZ2 TRP 57 -2.919 -6.574 -1.573 475 HZ3 TRP 57 HZ3 TRP 57 -6.129 -3.766 -1.825 476 HH2 TRP 57 HH2 TRP 57 -3.782 -4.281 -1.369 477 H VAL 58 H VAL 58 -6.294 -8.872 -5.965 478 HA VAL 58 HA VAL 58 -5.972 -6.004 -6.309 479 HB VAL 58 HB VAL 58 -4.198 -8.327 -7.062 480 1HG1 VAL 58 1HG1 VAL 58 -3.940 -5.396 -7.608 481 2HG1 VAL 58 2HG1 VAL 58 -2.506 -6.400 -7.392 482 3HG1 VAL 58 3HG1 VAL 58 -3.650 -6.762 -8.685 483 1HG2 VAL 58 1HG2 VAL 58 -4.533 -7.569 -4.618 484 2HG2 VAL 58 2HG2 VAL 58 -2.888 -7.778 -5.220 485 3HG2 VAL 58 3HG2 VAL 58 -3.580 -6.162 -5.086 486 H LYS 59 H LYS 59 -6.644 -8.861 -8.243 487 HA LYS 59 HA LYS 59 -6.400 -7.619 -10.778 488 1HB LYS 59 1HB LYS 59 -8.022 -10.030 -9.930 489 2HB LYS 59 2HB LYS 59 -7.718 -9.565 -11.595 490 1HG LYS 59 1HG LYS 59 -5.432 -10.069 -11.435 491 2HG LYS 59 2HG LYS 59 -5.492 -10.147 -9.672 492 1HD LYS 59 1HD LYS 59 -6.706 -12.174 -9.710 493 2HD LYS 59 2HD LYS 59 -7.050 -12.022 -11.433 494 1HE LYS 59 1HE LYS 59 -4.437 -12.051 -11.640 495 2HE LYS 59 2HE LYS 59 -4.527 -12.832 -10.062 496 1HZ LYS 59 1HZ LYS 59 -6.276 -14.310 -11.282 497 2HZ LYS 59 2HZ LYS 59 -5.451 -13.803 -12.669 498 3HZ LYS 59 3HZ LYS 59 -4.621 -14.626 -11.447 499 H ASP 60 H ASP 60 -9.226 -8.385 -8.754 500 HA ASP 60 HA ASP 60 -11.085 -7.056 -10.443 501 1HB ASP 60 1HB ASP 60 -11.831 -8.793 -8.912 502 2HB ASP 60 2HB ASP 60 -11.287 -7.847 -7.530 503 H ALA 61 H ALA 61 -9.445 -6.147 -7.416 504 HA ALA 61 HA ALA 61 -10.601 -3.715 -6.921 505 1HB ALA 61 1HB ALA 61 -7.802 -4.708 -6.536 506 2HB ALA 61 2HB ALA 61 -8.232 -3.050 -6.113 507 3HB ALA 61 3HB ALA 61 -9.054 -4.401 -5.330 508 H MET 62 H MET 62 -7.904 -4.405 -9.124 509 HA MET 62 HA MET 62 -7.638 -1.721 -10.027 510 1HB MET 62 1HB MET 62 -6.666 -4.352 -11.141 511 2HB MET 62 2HB MET 62 -6.303 -2.803 -11.893 512 1HG MET 62 1HG MET 62 -5.394 -2.158 -9.560 513 2HG MET 62 2HG MET 62 -5.369 -3.897 -9.276 514 1HE MET 62 1HE MET 62 -4.767 -5.221 -11.761 515 2HE MET 62 2HE MET 62 -4.721 -3.936 -12.967 516 3HE MET 62 3HE MET 62 -3.257 -4.847 -12.591 517 H GLN 63 H GLN 63 -8.908 -4.636 -11.645 518 HA GLN 63 HA GLN 63 -9.864 -3.524 -13.949 519 1HB GLN 63 1HB GLN 63 -10.419 -5.901 -12.402 520 2HB GLN 63 2HB GLN 63 -11.898 -5.287 -13.129 521 1HG GLN 63 1HG GLN 63 -11.127 -5.593 -15.283 522 2HG GLN 63 2HG GLN 63 -9.434 -5.586 -14.787 523 1HE2 GLN 63 2HE2 GLN 63 -8.475 -7.457 -14.155 524 2HE2 GLN 63 1HE2 GLN 63 -9.243 -9.004 -14.230 525 H HIS 64 H HIS 64 -11.036 -3.124 -10.723 526 HA HIS 64 HA HIS 64 -13.600 -2.074 -11.413 527 1HB HIS 64 1HB HIS 64 -13.332 -3.054 -9.239 528 2HB HIS 64 2HB HIS 64 -11.975 -1.994 -8.870 529 HD1 HIS 64 HD1 HIS 64 -15.441 -2.352 -8.178 530 HD2 HIS 64 HD2 HIS 64 -12.928 0.879 -8.891 531 HE1 HIS 64 HE1 HIS 64 -16.643 -0.348 -7.249 532 HE2 HIS 64 HE2 HIS 64 -15.145 1.608 -7.775 533 H LEU 65 H LEU 65 -10.637 -0.569 -10.125 534 HA LEU 65 HA LEU 65 -11.504 2.084 -10.363 535 1HB LEU 65 1HB LEU 65 -8.830 0.764 -10.180 536 2HB LEU 65 2HB LEU 65 -8.911 2.475 -10.556 537 HG LEU 65 HG LEU 65 -10.150 1.225 -8.104 538 1HD1 LEU 65 1HD1 LEU 65 -7.592 1.158 -8.314 539 2HD1 LEU 65 2HD1 LEU 65 -7.673 2.911 -8.137 540 3HD1 LEU 65 3HD1 LEU 65 -8.290 1.865 -6.857 541 1HD2 LEU 65 1HD2 LEU 65 -10.119 3.924 -9.279 542 2HD2 LEU 65 2HD2 LEU 65 -11.281 3.170 -8.188 543 3HD2 LEU 65 3HD2 LEU 65 -9.781 3.842 -7.551 544 H ASP 66 H ASP 66 -9.976 -0.077 -12.672 545 HA ASP 66 HA ASP 66 -9.474 1.934 -14.638 546 1HB ASP 66 1HB ASP 66 -9.349 -1.048 -14.551 547 2HB ASP 66 2HB ASP 66 -9.383 -0.259 -16.124 548 H ARG 67 H ARG 67 -12.057 -0.400 -14.058 549 HA ARG 67 HA ARG 67 -13.487 0.438 -16.441 550 1HB ARG 67 1HB ARG 67 -13.418 -1.950 -15.598 551 2HB ARG 67 2HB ARG 67 -14.458 -1.429 -14.280 552 1HG ARG 67 1HG ARG 67 -16.280 -1.442 -15.564 553 2HG ARG 67 2HG ARG 67 -15.452 -0.648 -16.905 554 1HD ARG 67 1HD ARG 67 -15.334 -2.581 -17.986 555 2HD ARG 67 2HD ARG 67 -14.405 -3.273 -16.656 556 HE ARG 67 HE ARG 67 -16.914 -3.487 -15.746 557 1HH1 ARG 67 1HH1 ARG 67 -15.482 -4.311 -18.811 558 2HH1 ARG 67 2HH1 ARG 67 -16.578 -5.617 -19.119 559 1HH2 ARG 67 1HH2 ARG 67 -18.363 -5.205 -16.140 560 2HH2 ARG 67 2HH2 ARG 67 -18.217 -6.126 -17.600 561 H GLN 68 H GLN 68 -13.120 2.589 -14.811 562 HA GLN 68 HA GLN 68 -15.870 3.196 -14.034 563 1HB GLN 68 1HB GLN 68 -13.937 2.633 -12.122 564 2HB GLN 68 2HB GLN 68 -13.962 4.390 -12.184 565 1HG GLN 68 1HG GLN 68 -15.785 4.418 -10.942 566 2HG GLN 68 2HG GLN 68 -16.646 3.481 -12.164 567 1HE2 GLN 68 2HE2 GLN 68 -15.066 1.135 -11.967 568 2HE2 GLN 68 1HE2 GLN 68 -15.428 0.385 -10.453 569 H ALA 69 H ALA 69 -12.664 4.751 -13.853 570 HA ALA 69 HA ALA 69 -13.645 7.295 -14.621 571 1HB ALA 69 1HB ALA 69 -11.557 6.853 -13.299 572 2HB ALA 69 2HB ALA 69 -10.790 6.359 -14.808 573 3HB ALA 69 3HB ALA 69 -11.377 8.011 -14.617 574 H ALA 70 H ALA 70 -12.996 4.509 -16.414 575 HA ALA 70 HA ALA 70 -12.611 6.050 -18.891 576 1HB ALA 70 1HB ALA 70 -11.844 3.283 -18.075 577 2HB ALA 70 2HB ALA 70 -12.084 3.655 -19.782 578 3HB ALA 70 3HB ALA 70 -10.876 4.538 -18.850 579 H ALA 71 H ALA 71 -14.389 3.231 -17.624 580 HA ALA 71 HA ALA 71 -16.062 2.810 -19.790 581 1HB ALA 71 1HB ALA 71 -15.731 1.476 -17.564 582 2HB ALA 71 2HB ALA 71 -17.121 2.424 -17.031 583 3HB ALA 71 3HB ALA 71 -17.255 1.379 -18.446 584 H LEU 72 H LEU 72 -16.009 5.404 -17.596 585 HA LEU 72 HA LEU 72 -18.779 6.159 -18.099 586 1HB LEU 72 1HB LEU 72 -16.640 7.060 -16.233 587 2HB LEU 72 2HB LEU 72 -17.896 8.205 -16.660 588 HG LEU 72 HG LEU 72 -18.374 7.014 -14.555 589 1HD1 LEU 72 1HD1 LEU 72 -20.165 6.764 -16.926 590 2HD1 LEU 72 2HD1 LEU 72 -20.656 6.050 -15.389 591 3HD1 LEU 72 3HD1 LEU 72 -20.327 7.779 -15.492 592 1HD2 LEU 72 1HD2 LEU 72 -18.141 4.628 -16.341 593 2HD2 LEU 72 2HD2 LEU 72 -17.446 4.901 -14.744 594 3HD2 LEU 72 3HD2 LEU 72 -19.172 4.581 -14.911 595 H THR 73 H THR 73 -15.544 6.992 -19.069 596 HA THR 73 HA THR 73 -16.406 8.406 -21.347 597 HB THR 73 HB THR 73 -17.013 10.208 -19.909 598 HG1 THR 73 HG1 THR 73 -16.020 11.574 -21.127 599 1HG2 THR 73 1HG2 THR 73 -14.286 10.016 -18.654 600 2HG2 THR 73 2HG2 THR 73 -15.495 11.258 -18.328 601 3HG2 THR 73 3HG2 THR 73 -15.815 9.580 -17.890 602 H ARG 74 H ARG 74 -14.869 6.826 -22.094 603 HA ARG 74 HA ARG 74 -12.259 6.485 -21.413 604 1HB ARG 74 1HB ARG 74 -13.382 5.212 -23.185 605 2HB ARG 74 2HB ARG 74 -13.348 6.626 -24.231 606 1HG ARG 74 1HG ARG 74 -10.823 6.554 -24.003 607 2HG ARG 74 2HG ARG 74 -11.040 4.956 -23.287 608 1HD ARG 74 1HD ARG 74 -12.238 5.672 -25.944 609 2HD ARG 74 2HD ARG 74 -10.580 5.092 -25.804 610 HE ARG 74 HE ARG 74 -12.375 3.360 -24.456 611 1HH1 ARG 74 1HH1 ARG 74 -11.271 4.264 -27.633 612 2HH1 ARG 74 2HH1 ARG 74 -11.632 2.724 -28.338 613 1HH2 ARG 74 1HH2 ARG 74 -12.852 1.327 -25.374 614 2HH2 ARG 74 2HH2 ARG 74 -12.532 1.055 -27.055 615 H ASN 75 H ASN 75 -13.150 8.635 -24.117 616 HA ASN 75 HA ASN 75 -10.923 10.391 -23.315 617 1HB ASN 75 1HB ASN 75 -10.732 9.007 -25.513 618 2HB ASN 75 2HB ASN 75 -11.874 10.185 -26.156 619 1HD2 ASN 75 2HD2 ASN 75 -9.162 9.720 -26.980 620 2HD2 ASN 75 1HD2 ASN 75 -8.305 11.200 -26.738 621 H GLY 76 H GLY 76 -11.696 12.223 -22.506 622 1HA GLY 76 1HA GLY 76 -13.063 14.163 -23.821 623 2HA GLY 76 2HA GLY 76 -14.344 13.162 -23.157 Start of MODEL 5 1 2H MET 0 2H MET 0 24.383 0.800 -1.426 2 3H MET 0 3H MET 0 23.910 -0.531 -0.450 3 1H MET 0 1H MET 0 25.039 0.615 0.146 4 HA MET 0 HA MET 0 25.388 -1.602 -1.659 5 1HB MET 0 1HB MET 0 27.187 -0.517 -2.871 6 2HB MET 0 2HB MET 0 25.699 0.390 -3.102 7 1HG MET 0 1HG MET 0 26.602 2.229 -2.269 8 2HG MET 0 2HG MET 0 27.160 1.380 -0.829 9 1HE MET 0 1HE MET 0 28.270 3.731 -1.942 10 2HE MET 0 2HE MET 0 29.926 3.352 -1.474 11 3HE MET 0 3HE MET 0 29.542 3.670 -3.164 12 H GLN 1 H GLN 1 28.073 -1.750 -1.564 13 HA GLN 1 HA GLN 1 29.740 -2.544 -0.226 14 1HB GLN 1 1HB GLN 1 29.024 0.126 0.784 15 2HB GLN 1 2HB GLN 1 29.918 -0.870 1.924 16 1HG GLN 1 1HG GLN 1 31.013 -0.855 -0.792 17 2HG GLN 1 2HG GLN 1 31.032 0.711 0.020 18 1HE2 GLN 1 2HE2 GLN 1 32.099 -2.619 0.203 19 2HE2 GLN 1 1HE2 GLN 1 33.405 -2.342 1.299 20 H HIS 2 H HIS 2 27.386 -3.896 0.182 21 HA HIS 2 HA HIS 2 27.800 -5.281 2.522 22 1HB HIS 2 1HB HIS 2 26.627 -2.778 3.089 23 2HB HIS 2 2HB HIS 2 25.352 -3.975 3.290 24 HD1 HIS 2 HD1 HIS 2 25.692 -3.072 5.870 25 HD2 HIS 2 HD2 HIS 2 28.635 -5.544 4.290 26 HE1 HIS 2 HE1 HIS 2 26.959 -3.962 7.852 27 HE2 HIS 2 HE2 HIS 2 28.686 -5.515 6.876 28 H HIS 3 H HIS 3 25.100 -5.820 3.293 29 HA HIS 3 HA HIS 3 24.322 -7.912 1.854 30 1HB HIS 3 1HB HIS 3 22.928 -6.007 3.533 31 2HB HIS 3 2HB HIS 3 21.866 -6.636 2.280 32 HD1 HIS 3 HD1 HIS 3 21.564 -9.283 2.241 33 HD2 HIS 3 HD2 HIS 3 23.424 -7.722 5.612 34 HE1 HIS 3 HE1 HIS 3 21.467 -11.109 3.968 35 HE2 HIS 3 HE2 HIS 3 22.489 -10.096 6.037 36 H GLY 4 H GLY 4 22.493 -4.938 1.200 37 1HA GLY 4 1HA GLY 4 22.975 -5.215 -1.660 38 2HA GLY 4 2HA GLY 4 21.320 -5.478 -1.129 39 H VAL 5 H VAL 5 21.863 -3.498 -2.925 40 HA VAL 5 HA VAL 5 21.754 -1.020 -1.338 41 HB VAL 5 HB VAL 5 23.553 -0.983 -2.955 42 1HG1 VAL 5 1HG1 VAL 5 21.497 -2.125 -4.709 43 2HG1 VAL 5 2HG1 VAL 5 22.509 -0.893 -5.463 44 3HG1 VAL 5 3HG1 VAL 5 23.248 -2.320 -4.736 45 1HG2 VAL 5 1HG2 VAL 5 21.623 0.947 -2.690 46 2HG2 VAL 5 2HG2 VAL 5 23.184 1.157 -3.483 47 3HG2 VAL 5 3HG2 VAL 5 21.754 0.767 -4.439 48 H THR 6 H THR 6 19.450 -2.295 -1.181 49 HA THR 6 HA THR 6 17.703 -0.905 -3.105 50 HB THR 6 HB THR 6 16.317 -3.129 -2.010 51 HG1 THR 6 HG1 THR 6 18.898 -3.747 -2.994 52 1HG2 THR 6 1HG2 THR 6 17.139 -2.188 -4.668 53 2HG2 THR 6 2HG2 THR 6 16.822 -3.917 -4.526 54 3HG2 THR 6 3HG2 THR 6 15.572 -2.753 -4.090 55 H LYS 7 H LYS 7 16.113 0.320 -2.269 56 HA LYS 7 HA LYS 7 14.680 -0.037 0.037 57 1HB LYS 7 1HB LYS 7 15.751 1.592 1.601 58 2HB LYS 7 2HB LYS 7 16.689 0.125 1.349 59 1HG LYS 7 1HG LYS 7 18.349 1.212 0.217 60 2HG LYS 7 2HG LYS 7 17.272 2.487 -0.359 61 1HD LYS 7 1HD LYS 7 18.007 3.789 1.286 62 2HD LYS 7 2HD LYS 7 17.291 2.670 2.449 63 1HE LYS 7 1HE LYS 7 19.333 2.190 3.178 64 2HE LYS 7 2HE LYS 7 19.699 1.496 1.599 65 1HZ LYS 7 1HZ LYS 7 19.985 4.158 1.188 66 2HZ LYS 7 2HZ LYS 7 20.585 3.968 2.759 67 3HZ LYS 7 3HZ LYS 7 21.249 3.074 1.487 68 H CYS 8 H CYS 8 14.222 0.906 -2.490 69 HA CYS 8 HA CYS 8 14.170 3.705 -2.744 70 1HB CYS 8 1HB CYS 8 12.861 3.375 -4.663 71 2HB CYS 8 2HB CYS 8 13.816 1.902 -4.549 72 H ASN 9 H ASN 9 12.445 5.177 -2.552 73 HA ASN 9 HA ASN 9 11.136 5.416 -0.242 74 1HB ASN 9 1HB ASN 9 9.201 6.476 -1.767 75 2HB ASN 9 2HB ASN 9 10.754 7.269 -1.516 76 1HD2 ASN 9 2HD2 ASN 9 8.802 5.417 -3.727 77 2HD2 ASN 9 1HD2 ASN 9 9.726 5.764 -5.144 78 H ILE 10 H ILE 10 9.968 3.508 -2.976 79 HA ILE 10 HA ILE 10 8.075 2.192 -1.147 80 HB ILE 10 HB ILE 10 6.765 3.688 -2.529 81 1HG1 ILE 10 1HG1 ILE 10 6.256 1.045 -3.811 82 2HG1 ILE 10 2HG1 ILE 10 6.189 1.135 -2.054 83 1HG2 ILE 10 1HG2 ILE 10 8.621 3.396 -4.435 84 2HG2 ILE 10 2HG2 ILE 10 7.401 2.278 -5.047 85 3HG2 ILE 10 3HG2 ILE 10 6.985 3.968 -4.763 86 1HD1 ILE 10 1HD1 ILE 10 4.542 2.964 -2.266 87 2HD1 ILE 10 2HD1 ILE 10 4.540 2.706 -4.011 88 3HD1 ILE 10 3HD1 ILE 10 3.991 1.426 -2.929 89 H THR 11 H THR 11 9.477 0.437 -0.911 90 HA THR 11 HA THR 11 10.091 -1.086 -3.347 91 HB THR 11 HB THR 11 11.299 -1.103 -0.585 92 HG1 THR 11 HG1 THR 11 12.614 -0.859 -3.064 93 1HG2 THR 11 1HG2 THR 11 11.041 -3.441 -1.550 94 2HG2 THR 11 2HG2 THR 11 12.188 -2.927 -2.787 95 3HG2 THR 11 3HG2 THR 11 12.664 -2.925 -1.089 96 H CYS 12 H CYS 12 9.265 -3.070 -3.694 97 HA CYS 12 HA CYS 12 7.194 -3.989 -1.867 98 1HB CYS 12 1HB CYS 12 7.947 -5.167 -4.544 99 2HB CYS 12 2HB CYS 12 6.442 -5.392 -3.659 100 H SER 13 H SER 13 9.303 -4.396 -0.457 101 HA SER 13 HA SER 13 10.706 -6.830 -1.007 102 1HB SER 13 1HB SER 13 11.715 -5.007 0.324 103 2HB SER 13 2HB SER 13 10.507 -5.268 1.581 104 HG SER 13 HG SER 13 11.519 -7.028 2.209 105 H LYS 14 H LYS 14 7.646 -6.122 0.213 106 HA LYS 14 HA LYS 14 7.224 -8.900 0.925 107 1HB LYS 14 1HB LYS 14 7.395 -6.749 2.915 108 2HB LYS 14 2HB LYS 14 5.924 -7.706 3.026 109 1HG LYS 14 1HG LYS 14 8.713 -8.843 3.023 110 2HG LYS 14 2HG LYS 14 7.747 -8.533 4.468 111 1HD LYS 14 1HD LYS 14 5.969 -10.012 3.295 112 2HD LYS 14 2HD LYS 14 7.325 -10.566 2.309 113 1HE LYS 14 1HE LYS 14 7.893 -11.979 3.924 114 2HE LYS 14 2HE LYS 14 8.185 -10.610 4.997 115 1HZ LYS 14 1HZ LYS 14 5.417 -11.470 4.650 116 2HZ LYS 14 2HZ LYS 14 6.428 -12.481 5.556 117 3HZ LYS 14 3HZ LYS 14 6.199 -10.873 6.025 118 H MET 15 H MET 15 4.998 -9.492 0.992 119 HA MET 15 HA MET 15 3.342 -7.742 -0.645 120 1HB MET 15 1HB MET 15 3.138 -10.633 0.176 121 2HB MET 15 2HB MET 15 1.799 -9.798 -0.600 122 1HG MET 15 1HG MET 15 3.034 -11.011 -2.252 123 2HG MET 15 2HG MET 15 3.267 -9.284 -2.512 124 1HE MET 15 1HE MET 15 4.960 -8.956 -3.690 125 2HE MET 15 2HE MET 15 6.238 -8.345 -2.639 126 3HE MET 15 3HE MET 15 6.546 -9.726 -3.692 127 H THR 16 H THR 16 1.585 -6.680 0.049 128 HA THR 16 HA THR 16 1.098 -6.463 2.856 129 HB THR 16 HB THR 16 0.849 -4.639 1.063 130 HG1 THR 16 HG1 THR 16 -0.850 -3.677 2.262 131 1HG2 THR 16 1HG2 THR 16 -1.203 -6.380 0.168 132 2HG2 THR 16 2HG2 THR 16 -1.944 -4.891 0.757 133 3HG2 THR 16 3HG2 THR 16 -0.701 -4.824 -0.494 134 H SER 17 H SER 17 -1.596 -6.223 3.145 135 HA SER 17 HA SER 17 -2.491 -8.999 2.799 136 1HB SER 17 1HB SER 17 -3.928 -7.152 4.638 137 2HB SER 17 2HB SER 17 -3.569 -8.868 4.820 138 HG SER 17 HG SER 17 -1.629 -8.402 5.614 139 H LYS 18 H LYS 18 -5.097 -8.970 2.987 140 HA LYS 18 HA LYS 18 -5.948 -7.768 0.520 141 1HB LYS 18 1HB LYS 18 -6.687 -10.022 1.189 142 2HB LYS 18 2HB LYS 18 -7.532 -9.329 2.567 143 1HG LYS 18 1HG LYS 18 -9.154 -8.332 1.227 144 2HG LYS 18 2HG LYS 18 -8.163 -8.460 -0.227 145 1HD LYS 18 1HD LYS 18 -8.753 -10.616 -0.605 146 2HD LYS 18 2HD LYS 18 -8.864 -10.998 1.115 147 1HE LYS 18 1HE LYS 18 -10.937 -9.361 0.973 148 2HE LYS 18 2HE LYS 18 -10.908 -9.858 -0.719 149 1HZ LYS 18 1HZ LYS 18 -11.002 -11.733 1.582 150 2HZ LYS 18 2HZ LYS 18 -12.350 -11.256 0.676 151 3HZ LYS 18 3HZ LYS 18 -11.109 -12.140 -0.057 152 H ILE 19 H ILE 19 -6.495 -5.693 0.422 153 HA ILE 19 HA ILE 19 -7.926 -4.504 2.705 154 HB ILE 19 HB ILE 19 -6.445 -2.986 0.562 155 1HG1 ILE 19 1HG1 ILE 19 -5.399 -3.463 3.344 156 2HG1 ILE 19 2HG1 ILE 19 -5.041 -4.586 2.035 157 1HG2 ILE 19 1HG2 ILE 19 -8.272 -1.889 1.953 158 2HG2 ILE 19 2HG2 ILE 19 -7.183 -2.071 3.327 159 3HG2 ILE 19 3HG2 ILE 19 -6.695 -1.097 1.941 160 1HD1 ILE 19 1HD1 ILE 19 -4.508 -1.926 1.158 161 2HD1 ILE 19 2HD1 ILE 19 -3.701 -2.213 2.699 162 3HD1 ILE 19 3HD1 ILE 19 -3.401 -3.288 1.334 163 HA PRO 20 HA PRO 20 -11.583 -4.181 0.257 164 1HB PRO 20 1HB PRO 20 -12.569 -1.869 1.413 165 2HB PRO 20 2HB PRO 20 -12.773 -3.494 2.076 166 1HG PRO 20 1HG PRO 20 -10.778 -1.386 2.798 167 2HG PRO 20 2HG PRO 20 -11.674 -2.488 3.858 168 1HD PRO 20 1HD PRO 20 -9.114 -2.940 3.250 169 2HD PRO 20 2HD PRO 20 -10.272 -4.280 3.389 170 H VAL 21 H VAL 21 -11.708 -3.461 -1.771 171 HA VAL 21 HA VAL 21 -10.086 -1.439 -2.838 172 HB VAL 21 HB VAL 21 -12.685 -2.027 -4.174 173 1HG1 VAL 21 1HG1 VAL 21 -10.667 -0.629 -5.035 174 2HG1 VAL 21 2HG1 VAL 21 -9.963 -2.207 -5.393 175 3HG1 VAL 21 3HG1 VAL 21 -11.495 -1.735 -6.129 176 1HG2 VAL 21 1HG2 VAL 21 -10.592 -4.058 -3.543 177 2HG2 VAL 21 2HG2 VAL 21 -12.348 -4.215 -3.542 178 3HG2 VAL 21 3HG2 VAL 21 -11.469 -4.146 -5.070 179 H ALA 22 H ALA 22 -13.074 -1.305 -1.159 180 HA ALA 22 HA ALA 22 -14.217 1.026 -2.137 181 1HB ALA 22 1HB ALA 22 -15.036 -0.682 -0.335 182 2HB ALA 22 2HB ALA 22 -14.294 0.455 0.790 183 3HB ALA 22 3HB ALA 22 -15.584 0.993 -0.285 184 H LEU 23 H LEU 23 -11.288 0.616 -0.454 185 HA LEU 23 HA LEU 23 -11.210 3.446 0.331 186 1HB LEU 23 1HB LEU 23 -9.147 1.393 1.066 187 2HB LEU 23 2HB LEU 23 -9.514 2.911 1.865 188 HG LEU 23 HG LEU 23 -11.233 0.431 1.880 189 1HD1 LEU 23 1HD1 LEU 23 -9.082 0.559 3.282 190 2HD1 LEU 23 2HD1 LEU 23 -9.954 1.753 4.245 191 3HD1 LEU 23 3HD1 LEU 23 -10.585 0.113 4.092 192 1HD2 LEU 23 1HD2 LEU 23 -11.709 3.225 2.822 193 2HD2 LEU 23 2HD2 LEU 23 -12.797 2.122 1.982 194 3HD2 LEU 23 3HD2 LEU 23 -12.428 1.865 3.686 195 H LEU 24 H LEU 24 -9.821 1.083 -1.794 196 HA LEU 24 HA LEU 24 -7.425 2.341 -2.484 197 1HB LEU 24 1HB LEU 24 -9.267 0.456 -3.895 198 2HB LEU 24 2HB LEU 24 -7.937 1.176 -4.780 199 HG LEU 24 HG LEU 24 -7.679 -0.507 -2.285 200 1HD1 LEU 24 1HD1 LEU 24 -8.045 -1.253 -4.979 201 2HD1 LEU 24 2HD1 LEU 24 -6.354 -1.560 -4.580 202 3HD1 LEU 24 3HD1 LEU 24 -7.634 -2.283 -3.607 203 1HD2 LEU 24 1HD2 LEU 24 -5.893 1.367 -3.499 204 2HD2 LEU 24 2HD2 LEU 24 -5.649 0.362 -2.071 205 3HD2 LEU 24 3HD2 LEU 24 -5.239 -0.263 -3.669 206 H ILE 25 H ILE 25 -6.935 4.090 -3.659 207 HA ILE 25 HA ILE 25 -9.145 5.458 -5.047 208 HB ILE 25 HB ILE 25 -8.013 7.550 -4.671 209 1HG1 ILE 25 1HG1 ILE 25 -5.836 5.826 -3.482 210 2HG1 ILE 25 2HG1 ILE 25 -5.708 6.936 -4.843 211 1HG2 ILE 25 1HG2 ILE 25 -9.457 6.532 -2.882 212 2HG2 ILE 25 2HG2 ILE 25 -7.971 6.046 -2.067 213 3HG2 ILE 25 3HG2 ILE 25 -8.315 7.757 -2.328 214 1HD1 ILE 25 1HD1 ILE 25 -6.538 8.587 -2.836 215 2HD1 ILE 25 2HD1 ILE 25 -5.497 7.444 -1.985 216 3HD1 ILE 25 3HD1 ILE 25 -4.868 8.359 -3.354 217 H HIS 26 H HIS 26 -5.757 4.498 -5.277 218 HA HIS 26 HA HIS 26 -5.955 4.614 -8.172 219 1HB HIS 26 1HB HIS 26 -4.546 6.621 -6.616 220 2HB HIS 26 2HB HIS 26 -3.467 5.791 -7.732 221 HD1 HIS 26 HD1 HIS 26 -4.767 5.578 -10.279 222 HD2 HIS 26 HD2 HIS 26 -5.594 8.802 -7.791 223 HE1 HIS 26 HE1 HIS 26 -5.695 7.367 -11.783 224 HE2 HIS 26 HE2 HIS 26 -6.261 9.279 -10.245 225 H TYR 27 H TYR 27 -4.252 3.493 -9.262 226 HA TYR 27 HA TYR 27 -2.556 1.812 -7.555 227 1HB TYR 27 1HB TYR 27 -3.245 -0.187 -8.502 228 2HB TYR 27 2HB TYR 27 -4.763 0.703 -8.444 229 HD1 TYR 27 HD1 TYR 27 -5.462 1.967 -10.584 230 HD2 TYR 27 HD2 TYR 27 -2.482 -1.081 -10.520 231 HE1 TYR 27 HE1 TYR 27 -5.746 1.647 -13.012 232 HE2 TYR 27 HE2 TYR 27 -2.757 -1.409 -12.946 233 HH TYR 27 HH TYR 27 -4.094 0.690 -14.948 234 H GLN 28 H GLN 28 -0.549 1.371 -8.374 235 HA GLN 28 HA GLN 28 0.024 2.190 -11.124 236 1HB GLN 28 1HB GLN 28 2.290 2.964 -9.692 237 2HB GLN 28 2HB GLN 28 1.104 4.020 -10.448 238 1HG GLN 28 1HG GLN 28 0.400 2.996 -7.783 239 2HG GLN 28 2HG GLN 28 1.758 4.118 -7.850 240 1HE2 GLN 28 2HE2 GLN 28 -0.386 4.899 -6.476 241 2HE2 GLN 28 1HE2 GLN 28 -1.270 6.112 -7.331 242 H GLN 29 H GLN 29 2.377 1.568 -11.688 243 HA GLN 29 HA GLN 29 2.801 -1.168 -10.703 244 1HB GLN 29 1HB GLN 29 2.442 -0.414 -13.243 245 2HB GLN 29 2HB GLN 29 4.183 -0.185 -13.145 246 1HG GLN 29 1HG GLN 29 4.609 -2.410 -12.940 247 2HG GLN 29 2HG GLN 29 3.069 -2.745 -12.149 248 1HE2 GLN 29 2HE2 GLN 29 1.260 -1.744 -13.888 249 2HE2 GLN 29 1HE2 GLN 29 1.336 -2.591 -15.392 250 H ASN 30 H ASN 30 4.554 -1.634 -9.546 251 HA ASN 30 HA ASN 30 6.241 0.062 -8.344 252 1HB ASN 30 1HB ASN 30 6.133 -2.477 -8.115 253 2HB ASN 30 2HB ASN 30 7.286 -2.543 -9.445 254 1HD2 ASN 30 2HD2 ASN 30 8.149 -3.694 -7.290 255 2HD2 ASN 30 1HD2 ASN 30 9.287 -2.726 -6.423 256 H GLN 31 H GLN 31 7.852 1.409 -8.846 257 HA GLN 31 HA GLN 31 8.452 2.218 -11.400 258 1HB GLN 31 1HB GLN 31 9.992 2.393 -8.829 259 2HB GLN 31 2HB GLN 31 10.674 3.025 -10.321 260 1HG GLN 31 1HG GLN 31 8.539 4.373 -10.552 261 2HG GLN 31 2HG GLN 31 8.200 3.920 -8.882 262 1HE2 GLN 31 2HE2 GLN 31 8.849 5.311 -7.416 263 2HE2 GLN 31 1HE2 GLN 31 10.142 6.443 -7.580 264 H ALA 32 H ALA 32 10.253 1.920 -12.790 265 HA ALA 32 HA ALA 32 11.102 -0.809 -12.990 266 1HB ALA 32 1HB ALA 32 11.130 1.558 -14.674 267 2HB ALA 32 2HB ALA 32 12.610 0.609 -14.815 268 3HB ALA 32 3HB ALA 32 11.046 -0.145 -15.118 269 H SER 33 H SER 33 12.038 -0.174 -10.612 270 HA SER 33 HA SER 33 14.621 -0.871 -10.469 271 1HB SER 33 1HB SER 33 15.741 1.458 -10.085 272 2HB SER 33 2HB SER 33 15.535 0.865 -11.734 273 HG SER 33 HG SER 33 14.669 3.126 -10.767 274 H CYS 34 H CYS 34 12.327 -1.025 -8.921 275 HA CYS 34 HA CYS 34 13.113 0.400 -6.465 276 1HB CYS 34 1HB CYS 34 10.563 0.149 -7.764 277 2HB CYS 34 2HB CYS 34 10.484 -0.603 -6.175 278 H GLY 35 H GLY 35 11.034 -2.419 -7.093 279 1HA GLY 35 1HA GLY 35 12.865 -4.053 -5.467 280 2HA GLY 35 2HA GLY 35 11.162 -3.981 -5.048 281 H LYS 36 H LYS 36 10.238 -5.842 -5.585 282 HA LYS 36 HA LYS 36 11.177 -7.344 -7.885 283 1HB LYS 36 1HB LYS 36 8.972 -8.002 -5.925 284 2HB LYS 36 2HB LYS 36 9.666 -9.097 -7.111 285 1HG LYS 36 1HG LYS 36 11.087 -9.758 -5.556 286 2HG LYS 36 2HG LYS 36 11.833 -8.160 -5.628 287 1HD LYS 36 1HD LYS 36 11.090 -7.659 -3.590 288 2HD LYS 36 2HD LYS 36 9.434 -8.077 -4.042 289 1HE LYS 36 1HE LYS 36 9.715 -10.324 -3.415 290 2HE LYS 36 2HE LYS 36 11.472 -10.176 -3.364 291 1HZ LYS 36 1HZ LYS 36 11.167 -8.623 -1.467 292 2HZ LYS 36 2HZ LYS 36 9.519 -9.000 -1.465 293 3HZ LYS 36 3HZ LYS 36 10.661 -10.206 -1.143 294 H ARG 37 H ARG 37 9.233 -8.495 -9.103 295 HA ARG 37 HA ARG 37 7.902 -6.404 -10.532 296 1HB ARG 37 1HB ARG 37 8.798 -8.560 -11.522 297 2HB ARG 37 2HB ARG 37 7.416 -9.370 -10.797 298 1HG ARG 37 1HG ARG 37 6.219 -8.874 -12.587 299 2HG ARG 37 2HG ARG 37 6.406 -7.158 -12.217 300 1HD ARG 37 1HD ARG 37 8.789 -8.259 -13.437 301 2HD ARG 37 2HD ARG 37 7.367 -8.500 -14.453 302 HE ARG 37 HE ARG 37 7.221 -5.885 -13.686 303 1HH1 ARG 37 1HH1 ARG 37 9.613 -7.855 -15.276 304 2HH1 ARG 37 2HH1 ARG 37 10.270 -6.543 -16.196 305 1HH2 ARG 37 1HH2 ARG 37 8.079 -4.149 -14.893 306 2HH2 ARG 37 2HH2 ARG 37 9.398 -4.436 -15.978 307 H ALA 38 H ALA 38 6.854 -5.762 -8.353 308 HA ALA 38 HA ALA 38 4.304 -7.199 -8.026 309 1HB ALA 38 1HB ALA 38 6.012 -6.828 -6.070 310 2HB ALA 38 2HB ALA 38 5.275 -5.227 -6.012 311 3HB ALA 38 3HB ALA 38 4.277 -6.664 -5.793 312 H ILE 39 H ILE 39 2.693 -5.439 -6.890 313 HA ILE 39 HA ILE 39 2.543 -3.218 -8.824 314 HB ILE 39 HB ILE 39 0.326 -4.771 -7.492 315 1HG1 ILE 39 1HG1 ILE 39 1.582 -5.531 -9.664 316 2HG1 ILE 39 2HG1 ILE 39 -0.175 -5.623 -9.589 317 1HG2 ILE 39 1HG2 ILE 39 0.181 -2.237 -9.115 318 2HG2 ILE 39 2HG2 ILE 39 -1.207 -3.257 -8.741 319 3HG2 ILE 39 3HG2 ILE 39 -0.320 -2.466 -7.439 320 1HD1 ILE 39 1HD1 ILE 39 -0.261 -3.420 -10.746 321 2HD1 ILE 39 2HD1 ILE 39 1.488 -3.523 -10.951 322 3HD1 ILE 39 3HD1 ILE 39 0.439 -4.725 -11.704 323 H ILE 40 H ILE 40 1.406 -1.275 -8.044 324 HA ILE 40 HA ILE 40 1.990 -0.796 -5.196 325 HB ILE 40 HB ILE 40 1.818 1.271 -7.390 326 1HG1 ILE 40 1HG1 ILE 40 3.733 -0.397 -7.576 327 2HG1 ILE 40 2HG1 ILE 40 4.188 1.302 -7.488 328 1HG2 ILE 40 1HG2 ILE 40 2.737 1.421 -4.524 329 2HG2 ILE 40 2HG2 ILE 40 2.926 2.714 -5.708 330 3HG2 ILE 40 3HG2 ILE 40 1.313 2.190 -5.225 331 1HD1 ILE 40 1HD1 ILE 40 4.087 -0.328 -4.996 332 2HD1 ILE 40 2HD1 ILE 40 5.466 -0.464 -6.087 333 3HD1 ILE 40 3HD1 ILE 40 5.058 1.095 -5.373 334 H LEU 41 H LEU 41 0.348 -0.314 -3.883 335 HA LEU 41 HA LEU 41 -2.223 0.455 -5.103 336 1HB LEU 41 1HB LEU 41 -1.627 -1.267 -2.708 337 2HB LEU 41 2HB LEU 41 -3.211 -0.575 -2.988 338 HG LEU 41 HG LEU 41 -1.778 -2.647 -4.625 339 1HD1 LEU 41 1HD1 LEU 41 -3.852 -2.654 -2.651 340 2HD1 LEU 41 2HD1 LEU 41 -4.482 -3.253 -4.185 341 3HD1 LEU 41 3HD1 LEU 41 -3.069 -4.016 -3.454 342 1HD2 LEU 41 1HD2 LEU 41 -4.053 -0.855 -5.406 343 2HD2 LEU 41 2HD2 LEU 41 -2.596 -1.258 -6.314 344 3HD2 LEU 41 3HD2 LEU 41 -3.865 -2.464 -6.102 345 H GLU 42 H GLU 42 -3.165 2.284 -4.428 346 HA GLU 42 HA GLU 42 -2.108 3.580 -2.001 347 1HB GLU 42 1HB GLU 42 -1.241 4.756 -3.936 348 2HB GLU 42 2HB GLU 42 -2.853 4.880 -4.627 349 1HG GLU 42 1HG GLU 42 -3.551 6.385 -2.915 350 2HG GLU 42 2HG GLU 42 -2.057 6.132 -2.013 351 H THR 43 H THR 43 -3.612 3.959 -0.509 352 HA THR 43 HA THR 43 -6.432 3.896 -1.338 353 HB THR 43 HB THR 43 -6.989 3.041 0.747 354 HG1 THR 43 HG1 THR 43 -6.158 3.878 2.459 355 1HG2 THR 43 1HG2 THR 43 -4.320 2.020 -0.074 356 2HG2 THR 43 2HG2 THR 43 -5.024 1.480 1.449 357 3HG2 THR 43 3HG2 THR 43 -5.887 1.209 -0.067 358 H ARG 44 H ARG 44 -7.945 5.277 -0.168 359 HA ARG 44 HA ARG 44 -7.326 7.978 -0.360 360 1HB ARG 44 1HB ARG 44 -9.591 6.394 0.305 361 2HB ARG 44 2HB ARG 44 -9.437 7.646 1.528 362 1HG ARG 44 1HG ARG 44 -9.157 9.226 -0.524 363 2HG ARG 44 2HG ARG 44 -9.940 7.907 -1.397 364 1HD ARG 44 1HD ARG 44 -11.268 8.538 1.111 365 2HD ARG 44 2HD ARG 44 -11.205 9.918 0.016 366 HE ARG 44 HE ARG 44 -12.048 7.581 -1.350 367 1HH1 ARG 44 1HH1 ARG 44 -13.140 10.021 0.881 368 2HH1 ARG 44 2HH1 ARG 44 -14.806 9.874 0.431 369 1HH2 ARG 44 1HH2 ARG 44 -14.240 7.376 -1.950 370 2HH2 ARG 44 2HH2 ARG 44 -15.431 8.369 -1.179 371 H GLN 45 H GLN 45 -6.482 5.805 2.107 372 HA GLN 45 HA GLN 45 -6.154 7.972 4.059 373 1HB GLN 45 1HB GLN 45 -6.022 4.972 4.411 374 2HB GLN 45 2HB GLN 45 -5.758 6.144 5.696 375 1HG GLN 45 1HG GLN 45 -7.995 6.835 5.680 376 2HG GLN 45 2HG GLN 45 -8.303 6.084 4.115 377 1HE2 GLN 45 2HE2 GLN 45 -7.342 3.594 4.399 378 2HE2 GLN 45 1HE2 GLN 45 -8.194 2.745 5.639 379 H HIS 46 H HIS 46 -4.444 7.719 1.751 380 HA HIS 46 HA HIS 46 -2.243 7.711 1.163 381 1HB HIS 46 1HB HIS 46 -1.945 8.345 4.105 382 2HB HIS 46 2HB HIS 46 -0.672 8.535 2.904 383 HD1 HIS 46 HD1 HIS 46 -3.134 9.636 0.883 384 HD2 HIS 46 HD2 HIS 46 -1.676 11.197 4.446 385 HE1 HIS 46 HE1 HIS 46 -3.746 12.075 0.848 386 HE2 HIS 46 HE2 HIS 46 -2.781 13.016 2.976 387 H ARG 47 H ARG 47 -3.166 5.185 1.431 388 HA ARG 47 HA ARG 47 -1.116 3.742 2.970 389 1HB ARG 47 1HB ARG 47 -3.788 3.350 2.953 390 2HB ARG 47 2HB ARG 47 -3.310 2.249 1.673 391 1HG ARG 47 1HG ARG 47 -1.543 1.829 3.818 392 2HG ARG 47 2HG ARG 47 -3.175 1.889 4.476 393 1HD ARG 47 1HD ARG 47 -3.587 0.360 2.293 394 2HD ARG 47 2HD ARG 47 -1.928 -0.086 2.686 395 HE ARG 47 HE ARG 47 -2.744 -1.283 4.441 396 1HH1 ARG 47 1HH1 ARG 47 -5.082 1.154 3.596 397 2HH1 ARG 47 2HH1 ARG 47 -6.263 0.600 4.735 398 1HH2 ARG 47 1HH2 ARG 47 -4.293 -2.022 5.944 399 2HH2 ARG 47 2HH2 ARG 47 -5.814 -1.204 6.071 400 H LEU 48 H LEU 48 0.649 3.623 1.684 401 HA LEU 48 HA LEU 48 0.295 2.707 -1.086 402 1HB LEU 48 1HB LEU 48 2.496 4.194 0.311 403 2HB LEU 48 2HB LEU 48 2.785 3.379 -1.213 404 HG LEU 48 HG LEU 48 0.934 5.694 -0.690 405 1HD1 LEU 48 1HD1 LEU 48 3.485 5.272 -2.181 406 2HD1 LEU 48 2HD1 LEU 48 2.351 6.514 -2.715 407 3HD1 LEU 48 3HD1 LEU 48 3.024 6.576 -1.086 408 1HD2 LEU 48 1HD2 LEU 48 0.740 3.598 -2.692 409 2HD2 LEU 48 2HD2 LEU 48 -0.410 4.863 -2.262 410 3HD2 LEU 48 3HD2 LEU 48 0.889 5.204 -3.405 411 H PHE 49 H PHE 49 0.093 0.508 -0.807 412 HA PHE 49 HA PHE 49 2.466 -0.857 0.278 413 1HB PHE 49 1HB PHE 49 -0.442 -1.642 0.491 414 2HB PHE 49 2HB PHE 49 0.881 -2.753 0.835 415 HD1 PHE 49 HD1 PHE 49 0.134 0.808 1.684 416 HD2 PHE 49 HD2 PHE 49 1.189 -3.077 3.084 417 HE1 PHE 49 HE1 PHE 49 0.262 1.679 3.981 418 HE2 PHE 49 HE2 PHE 49 1.316 -2.215 5.391 419 HZ PHE 49 HZ PHE 49 0.852 0.166 5.841 420 H CYS 50 H CYS 50 3.072 -2.830 -0.733 421 HA CYS 50 HA CYS 50 2.421 -2.864 -3.573 422 1HB CYS 50 1HB CYS 50 4.584 -4.146 -1.918 423 2HB CYS 50 2HB CYS 50 4.301 -4.620 -3.589 424 H ALA 51 H ALA 51 1.188 -4.357 -4.526 425 HA ALA 51 HA ALA 51 0.471 -6.761 -2.977 426 1HB ALA 51 1HB ALA 51 -1.341 -5.002 -3.159 427 2HB ALA 51 2HB ALA 51 -1.399 -5.374 -4.882 428 3HB ALA 51 3HB ALA 51 -1.773 -6.626 -3.696 429 H ASP 52 H ASP 52 0.566 -8.681 -4.017 430 HA ASP 52 HA ASP 52 1.936 -8.823 -6.509 431 1HB ASP 52 1HB ASP 52 1.612 -10.535 -4.402 432 2HB ASP 52 2HB ASP 52 0.549 -11.258 -5.606 433 HA PRO 53 HA PRO 53 -1.503 -8.336 -9.278 434 1HB PRO 53 1HB PRO 53 0.229 -9.999 -11.036 435 2HB PRO 53 2HB PRO 53 -0.535 -8.439 -11.360 436 1HG PRO 53 1HG PRO 53 2.079 -8.598 -10.873 437 2HG PRO 53 2HG PRO 53 1.113 -7.251 -10.241 438 1HD PRO 53 1HD PRO 53 2.176 -9.654 -8.822 439 2HD PRO 53 2HD PRO 53 2.005 -7.984 -8.244 440 H LYS 54 H LYS 54 -0.070 -11.372 -8.372 441 HA LYS 54 HA LYS 54 -2.029 -13.028 -9.650 442 1HB LYS 54 1HB LYS 54 -0.286 -13.856 -7.339 443 2HB LYS 54 2HB LYS 54 -0.936 -14.860 -8.629 444 1HG LYS 54 1HG LYS 54 0.902 -12.659 -9.385 445 2HG LYS 54 2HG LYS 54 1.586 -14.081 -8.591 446 1HD LYS 54 1HD LYS 54 0.555 -15.514 -10.298 447 2HD LYS 54 2HD LYS 54 -0.102 -14.082 -11.094 448 1HE LYS 54 1HE LYS 54 2.263 -13.255 -11.320 449 2HE LYS 54 2HE LYS 54 2.795 -14.841 -10.761 450 1HZ LYS 54 1HZ LYS 54 1.111 -15.512 -12.726 451 2HZ LYS 54 2HZ LYS 54 1.713 -14.050 -13.330 452 3HZ LYS 54 3HZ LYS 54 2.777 -15.306 -12.942 453 H GLU 55 H GLU 55 -2.078 -11.074 -6.922 454 HA GLU 55 HA GLU 55 -3.791 -12.673 -5.271 455 1HB GLU 55 1HB GLU 55 -3.114 -9.728 -5.203 456 2HB GLU 55 2HB GLU 55 -4.076 -10.551 -3.981 457 1HG GLU 55 1HG GLU 55 -2.116 -12.068 -3.601 458 2HG GLU 55 2HG GLU 55 -1.180 -11.004 -4.649 459 H GLN 56 H GLN 56 -5.961 -12.765 -5.232 460 HA GLN 56 HA GLN 56 -7.504 -12.000 -7.406 461 1HB GLN 56 1HB GLN 56 -8.105 -13.735 -5.708 462 2HB GLN 56 2HB GLN 56 -8.515 -12.440 -4.592 463 1HG GLN 56 1HG GLN 56 -9.835 -12.955 -7.249 464 2HG GLN 56 2HG GLN 56 -10.493 -13.370 -5.667 465 1HE2 GLN 56 2HE2 GLN 56 -9.954 -10.884 -7.977 466 2HE2 GLN 56 1HE2 GLN 56 -10.794 -9.622 -7.148 467 H TRP 57 H TRP 57 -7.637 -10.552 -4.148 468 HA TRP 57 HA TRP 57 -9.301 -8.435 -4.719 469 1HB TRP 57 1HB TRP 57 -8.613 -7.471 -2.693 470 2HB TRP 57 2HB TRP 57 -8.348 -9.196 -2.462 471 HD1 TRP 57 HD1 TRP 57 -5.680 -10.001 -2.894 472 HE1 TRP 57 HE1 TRP 57 -3.530 -8.776 -2.183 473 HE3 TRP 57 HE3 TRP 57 -7.596 -5.300 -2.256 474 HZ2 TRP 57 HZ2 TRP 57 -2.748 -6.160 -1.447 475 HZ3 TRP 57 HZ3 TRP 57 -6.084 -3.489 -1.546 476 HH2 TRP 57 HH2 TRP 57 -3.707 -3.915 -1.150 477 H VAL 58 H VAL 58 -6.083 -8.891 -5.807 478 HA VAL 58 HA VAL 58 -5.605 -6.066 -6.281 479 HB VAL 58 HB VAL 58 -3.985 -8.523 -6.949 480 1HG1 VAL 58 1HG1 VAL 58 -3.668 -5.691 -7.783 481 2HG1 VAL 58 2HG1 VAL 58 -2.217 -6.588 -7.333 482 3HG1 VAL 58 3HG1 VAL 58 -3.251 -7.177 -8.635 483 1HG2 VAL 58 1HG2 VAL 58 -4.199 -7.665 -4.548 484 2HG2 VAL 58 2HG2 VAL 58 -2.573 -7.911 -5.183 485 3HG2 VAL 58 3HG2 VAL 58 -3.247 -6.283 -5.091 486 H LYS 59 H LYS 59 -6.161 -9.003 -8.203 487 HA LYS 59 HA LYS 59 -5.970 -7.860 -10.739 488 1HB LYS 59 1HB LYS 59 -7.859 -10.072 -9.910 489 2HB LYS 59 2HB LYS 59 -7.261 -9.757 -11.531 490 1HG LYS 59 1HG LYS 59 -5.167 -10.594 -11.072 491 2HG LYS 59 2HG LYS 59 -5.331 -10.333 -9.333 492 1HD LYS 59 1HD LYS 59 -6.911 -12.146 -9.168 493 2HD LYS 59 2HD LYS 59 -6.903 -12.360 -10.916 494 1HE LYS 59 1HE LYS 59 -4.312 -12.521 -9.467 495 2HE LYS 59 2HE LYS 59 -5.433 -13.875 -9.320 496 1HZ LYS 59 1HZ LYS 59 -5.394 -13.309 -11.992 497 2HZ LYS 59 2HZ LYS 59 -3.780 -13.122 -11.524 498 3HZ LYS 59 3HZ LYS 59 -4.583 -14.583 -11.231 499 H ASP 60 H ASP 60 -8.855 -8.363 -8.717 500 HA ASP 60 HA ASP 60 -10.600 -6.967 -10.472 501 1HB ASP 60 1HB ASP 60 -10.836 -7.820 -7.588 502 2HB ASP 60 2HB ASP 60 -12.117 -6.937 -8.414 503 H ALA 61 H ALA 61 -8.975 -6.074 -7.427 504 HA ALA 61 HA ALA 61 -9.970 -3.577 -6.999 505 1HB ALA 61 1HB ALA 61 -7.226 -4.705 -6.616 506 2HB ALA 61 2HB ALA 61 -7.549 -3.009 -6.250 507 3HB ALA 61 3HB ALA 61 -8.439 -4.277 -5.409 508 H MET 62 H MET 62 -7.513 -4.525 -9.347 509 HA MET 62 HA MET 62 -6.954 -1.893 -10.262 510 1HB MET 62 1HB MET 62 -6.418 -4.645 -11.341 511 2HB MET 62 2HB MET 62 -6.069 -3.222 -12.311 512 1HG MET 62 1HG MET 62 -4.753 -2.429 -10.230 513 2HG MET 62 2HG MET 62 -4.803 -4.129 -9.766 514 1HE MET 62 1HE MET 62 -4.395 -5.924 -11.308 515 2HE MET 62 2HE MET 62 -4.014 -5.667 -13.010 516 3HE MET 62 3HE MET 62 -2.726 -6.043 -11.864 517 H GLN 63 H GLN 63 -8.815 -4.563 -11.721 518 HA GLN 63 HA GLN 63 -9.795 -3.314 -13.946 519 1HB GLN 63 1HB GLN 63 -10.266 -5.701 -12.818 520 2HB GLN 63 2HB GLN 63 -11.764 -4.894 -12.371 521 1HG GLN 63 1HG GLN 63 -12.391 -4.575 -14.604 522 2HG GLN 63 2HG GLN 63 -10.766 -4.917 -15.197 523 1HE2 GLN 63 2HE2 GLN 63 -13.044 -6.159 -16.194 524 2HE2 GLN 63 1HE2 GLN 63 -12.983 -7.838 -15.792 525 H HIS 64 H HIS 64 -10.574 -2.721 -10.630 526 HA HIS 64 HA HIS 64 -12.982 -1.253 -11.119 527 1HB HIS 64 1HB HIS 64 -12.560 -2.369 -8.961 528 2HB HIS 64 2HB HIS 64 -11.192 -1.296 -8.680 529 HD1 HIS 64 HD1 HIS 64 -14.779 -0.545 -9.725 530 HD2 HIS 64 HD2 HIS 64 -12.002 0.464 -6.803 531 HE1 HIS 64 HE1 HIS 64 -15.906 1.190 -8.297 532 HE2 HIS 64 HE2 HIS 64 -14.179 1.844 -6.583 533 H LEU 65 H LEU 65 -9.702 -0.327 -10.110 534 HA LEU 65 HA LEU 65 -10.085 2.443 -10.260 535 1HB LEU 65 1HB LEU 65 -7.524 0.910 -10.711 536 2HB LEU 65 2HB LEU 65 -7.656 2.603 -10.281 537 HG LEU 65 HG LEU 65 -7.975 0.191 -8.578 538 1HD1 LEU 65 1HD1 LEU 65 -6.081 2.097 -8.775 539 2HD1 LEU 65 2HD1 LEU 65 -7.101 2.792 -7.516 540 3HD1 LEU 65 3HD1 LEU 65 -6.410 1.184 -7.302 541 1HD2 LEU 65 1HD2 LEU 65 -9.688 2.619 -8.424 542 2HD2 LEU 65 2HD2 LEU 65 -10.064 0.940 -8.032 543 3HD2 LEU 65 3HD2 LEU 65 -9.094 1.910 -6.922 544 H ASP 66 H ASP 66 -9.379 0.067 -12.711 545 HA ASP 66 HA ASP 66 -8.514 1.875 -14.726 546 1HB ASP 66 1HB ASP 66 -9.724 -0.885 -14.995 547 2HB ASP 66 2HB ASP 66 -8.894 -0.005 -16.275 548 H ARG 67 H ARG 67 -11.645 0.419 -13.938 549 HA ARG 67 HA ARG 67 -12.966 1.863 -16.077 550 1HB ARG 67 1HB ARG 67 -13.492 -0.525 -14.968 551 2HB ARG 67 2HB ARG 67 -14.549 0.475 -13.985 552 1HG ARG 67 1HG ARG 67 -16.013 0.761 -15.645 553 2HG ARG 67 2HG ARG 67 -14.745 1.031 -16.843 554 1HD ARG 67 1HD ARG 67 -15.631 -0.942 -17.606 555 2HD ARG 67 2HD ARG 67 -14.355 -1.546 -16.548 556 HE ARG 67 HE ARG 67 -16.808 -1.254 -15.143 557 1HH1 ARG 67 1HH1 ARG 67 -15.136 -3.304 -17.408 558 2HH1 ARG 67 2HH1 ARG 67 -16.007 -4.732 -16.958 559 1HH2 ARG 67 1HH2 ARG 67 -17.961 -3.127 -14.544 560 2HH2 ARG 67 2HH2 ARG 67 -17.614 -4.630 -15.329 561 H GLN 68 H GLN 68 -11.690 3.074 -13.521 562 HA GLN 68 HA GLN 68 -14.002 4.450 -12.395 563 1HB GLN 68 1HB GLN 68 -11.704 3.557 -11.244 564 2HB GLN 68 2HB GLN 68 -11.301 5.246 -11.522 565 1HG GLN 68 1HG GLN 68 -12.871 6.010 -10.052 566 2HG GLN 68 2HG GLN 68 -13.911 4.602 -10.259 567 1HE2 GLN 68 2HE2 GLN 68 -12.411 2.507 -9.691 568 2HE2 GLN 68 1HE2 GLN 68 -11.783 2.583 -8.085 569 H ALA 69 H ALA 69 -10.821 5.424 -13.692 570 HA ALA 69 HA ALA 69 -11.276 8.125 -13.943 571 1HB ALA 69 1HB ALA 69 -9.124 6.859 -14.355 572 2HB ALA 69 2HB ALA 69 -9.728 6.545 -15.982 573 3HB ALA 69 3HB ALA 69 -9.455 8.204 -15.446 574 H ALA 70 H ALA 70 -12.302 5.524 -16.069 575 HA ALA 70 HA ALA 70 -13.001 6.780 -18.373 576 1HB ALA 70 1HB ALA 70 -13.521 4.333 -17.297 577 2HB ALA 70 2HB ALA 70 -15.136 5.034 -17.384 578 3HB ALA 70 3HB ALA 70 -14.149 4.909 -18.840 579 H ALA 71 H ALA 71 -14.812 6.834 -15.333 580 HA ALA 71 HA ALA 71 -17.073 8.192 -16.255 581 1HB ALA 71 1HB ALA 71 -15.935 7.468 -13.684 582 2HB ALA 71 2HB ALA 71 -16.797 9.007 -13.637 583 3HB ALA 71 3HB ALA 71 -17.622 7.550 -14.191 584 H LEU 72 H LEU 72 -13.898 9.265 -15.943 585 HA LEU 72 HA LEU 72 -14.722 12.077 -15.742 586 1HB LEU 72 1HB LEU 72 -12.061 10.726 -15.335 587 2HB LEU 72 2HB LEU 72 -12.233 12.467 -15.437 588 HG LEU 72 HG LEU 72 -12.100 11.645 -13.110 589 1HD1 LEU 72 1HD1 LEU 72 -14.607 13.004 -14.048 590 2HD1 LEU 72 2HD1 LEU 72 -14.251 12.769 -12.335 591 3HD1 LEU 72 3HD1 LEU 72 -13.160 13.723 -13.341 592 1HD2 LEU 72 1HD2 LEU 72 -13.305 9.491 -13.616 593 2HD2 LEU 72 2HD2 LEU 72 -13.799 10.316 -12.136 594 3HD2 LEU 72 3HD2 LEU 72 -14.806 10.418 -13.581 595 H THR 73 H THR 73 -14.473 9.974 -18.102 596 HA THR 73 HA THR 73 -14.281 10.210 -20.364 597 HB THR 73 HB THR 73 -14.291 12.312 -21.335 598 HG1 THR 73 HG1 THR 73 -12.608 13.089 -19.208 599 1HG2 THR 73 1HG2 THR 73 -15.919 12.087 -19.254 600 2HG2 THR 73 2HG2 THR 73 -14.951 13.449 -18.690 601 3HG2 THR 73 3HG2 THR 73 -15.814 13.555 -20.225 602 H ARG 74 H ARG 74 -12.109 9.385 -18.575 603 HA ARG 74 HA ARG 74 -9.830 9.081 -18.528 604 1HB ARG 74 1HB ARG 74 -10.504 7.484 -20.202 605 2HB ARG 74 2HB ARG 74 -10.515 8.724 -21.447 606 1HG ARG 74 1HG ARG 74 -8.550 7.275 -21.597 607 2HG ARG 74 2HG ARG 74 -8.112 8.956 -21.285 608 1HD ARG 74 1HD ARG 74 -6.889 8.204 -19.584 609 2HD ARG 74 2HD ARG 74 -8.408 7.857 -18.760 610 HE ARG 74 HE ARG 74 -7.866 5.660 -18.940 611 1HH1 ARG 74 1HH1 ARG 74 -6.407 7.360 -21.605 612 2HH1 ARG 74 2HH1 ARG 74 -5.664 5.946 -22.270 613 1HH2 ARG 74 1HH2 ARG 74 -6.892 3.788 -19.806 614 2HH2 ARG 74 2HH2 ARG 74 -5.940 3.914 -21.247 615 H ASN 75 H ASN 75 -9.569 10.305 -21.788 616 HA ASN 75 HA ASN 75 -8.344 12.779 -20.791 617 1HB ASN 75 1HB ASN 75 -7.019 10.583 -22.220 618 2HB ASN 75 2HB ASN 75 -6.759 12.164 -22.949 619 1HD2 ASN 75 2HD2 ASN 75 -6.638 13.831 -20.850 620 2HD2 ASN 75 1HD2 ASN 75 -5.307 13.428 -19.825 621 H GLY 76 H GLY 76 -10.829 11.765 -22.363 622 1HA GLY 76 1HA GLY 76 -10.658 13.876 -24.411 623 2HA GLY 76 2HA GLY 76 -11.285 12.291 -24.832 Start of MODEL 6 1 2H MET 0 2H MET 0 20.846 4.007 6.185 2 3H MET 0 3H MET 0 20.327 4.624 4.672 3 1H MET 0 1H MET 0 19.648 3.170 5.283 4 HA MET 0 HA MET 0 21.605 3.288 3.517 5 1HB MET 0 1HB MET 0 22.987 4.354 5.361 6 2HB MET 0 2HB MET 0 22.922 2.806 6.192 7 1HG MET 0 1HG MET 0 24.620 2.052 5.000 8 2HG MET 0 2HG MET 0 23.757 2.381 3.498 9 1HE MET 0 1HE MET 0 25.150 4.304 6.426 10 2HE MET 0 2HE MET 0 26.252 5.497 5.740 11 3HE MET 0 3HE MET 0 24.508 5.746 5.638 12 H GLN 1 H GLN 1 20.530 1.680 6.465 13 HA GLN 1 HA GLN 1 19.910 -0.465 6.896 14 1HB GLN 1 1HB GLN 1 19.196 0.004 4.193 15 2HB GLN 1 2HB GLN 1 19.876 -1.615 4.274 16 1HG GLN 1 1HG GLN 1 17.459 -1.632 4.569 17 2HG GLN 1 2HG GLN 1 18.294 -2.224 6.004 18 1HE2 GLN 1 2HE2 GLN 1 16.472 0.410 4.627 19 2HE2 GLN 1 1HE2 GLN 1 16.070 1.176 6.121 20 H HIS 2 H HIS 2 21.171 -2.013 7.685 21 HA HIS 2 HA HIS 2 23.849 -2.282 7.286 22 1HB HIS 2 1HB HIS 2 23.655 -4.561 8.228 23 2HB HIS 2 2HB HIS 2 22.696 -3.386 9.122 24 HD1 HIS 2 HD1 HIS 2 20.099 -3.553 8.887 25 HD2 HIS 2 HD2 HIS 2 22.214 -6.595 7.006 26 HE1 HIS 2 HE1 HIS 2 18.400 -5.332 8.367 27 HE2 HIS 2 HE2 HIS 2 19.716 -7.195 7.297 28 H HIS 3 H HIS 3 21.300 -4.087 5.599 29 HA HIS 3 HA HIS 3 23.219 -5.418 3.895 30 1HB HIS 3 1HB HIS 3 21.078 -6.480 4.688 31 2HB HIS 3 2HB HIS 3 20.208 -5.375 3.629 32 HD1 HIS 3 HD1 HIS 3 23.061 -7.874 3.228 33 HD2 HIS 3 HD2 HIS 3 19.672 -6.515 1.247 34 HE1 HIS 3 HE1 HIS 3 22.911 -9.253 1.131 35 HE2 HIS 3 HE2 HIS 3 20.894 -8.362 -0.088 36 H GLY 4 H GLY 4 24.221 -4.127 2.463 37 1HA GLY 4 1HA GLY 4 24.534 -2.665 0.721 38 2HA GLY 4 2HA GLY 4 22.964 -3.220 0.161 39 H VAL 5 H VAL 5 23.406 -0.768 -0.531 40 HA VAL 5 HA VAL 5 21.935 0.871 1.426 41 HB VAL 5 HB VAL 5 24.310 1.579 1.247 42 1HG1 VAL 5 1HG1 VAL 5 24.249 0.966 -1.314 43 2HG1 VAL 5 2HG1 VAL 5 23.792 2.661 -1.476 44 3HG1 VAL 5 3HG1 VAL 5 25.315 2.230 -0.703 45 1HG2 VAL 5 1HG2 VAL 5 22.265 3.123 1.636 46 2HG2 VAL 5 2HG2 VAL 5 23.837 3.847 1.297 47 3HG2 VAL 5 3HG2 VAL 5 22.627 3.727 0.019 48 H THR 6 H THR 6 19.928 0.925 0.598 49 HA THR 6 HA THR 6 19.610 1.464 -2.275 50 HB THR 6 HB THR 6 17.098 0.885 -1.403 51 HG1 THR 6 HG1 THR 6 17.377 0.161 0.564 52 1HG2 THR 6 1HG2 THR 6 19.251 -0.917 -2.427 53 2HG2 THR 6 2HG2 THR 6 17.643 -1.533 -2.047 54 3HG2 THR 6 3HG2 THR 6 17.839 -0.275 -3.267 55 H LYS 7 H LYS 7 17.090 2.496 -2.351 56 HA LYS 7 HA LYS 7 16.414 4.486 -0.555 57 1HB LYS 7 1HB LYS 7 17.248 6.515 -1.768 58 2HB LYS 7 2HB LYS 7 18.504 5.574 -0.975 59 1HG LYS 7 1HG LYS 7 19.577 5.255 -2.888 60 2HG LYS 7 2HG LYS 7 18.111 4.693 -3.692 61 1HD LYS 7 1HD LYS 7 17.670 7.389 -3.479 62 2HD LYS 7 2HD LYS 7 19.410 7.311 -3.764 63 1HE LYS 7 1HE LYS 7 18.756 5.651 -5.655 64 2HE LYS 7 2HE LYS 7 17.159 6.382 -5.503 65 1HZ LYS 7 1HZ LYS 7 19.576 8.046 -5.849 66 2HZ LYS 7 2HZ LYS 7 18.778 7.378 -7.183 67 3HZ LYS 7 3HZ LYS 7 17.962 8.449 -6.159 68 H CYS 8 H CYS 8 14.924 2.775 -1.992 69 HA CYS 8 HA CYS 8 13.782 4.298 -4.221 70 1HB CYS 8 1HB CYS 8 13.924 1.439 -3.516 71 2HB CYS 8 2HB CYS 8 12.383 1.962 -4.186 72 H ASN 9 H ASN 9 12.162 5.618 -3.753 73 HA ASN 9 HA ASN 9 10.834 6.045 -1.470 74 1HB ASN 9 1HB ASN 9 8.742 6.447 -3.107 75 2HB ASN 9 2HB ASN 9 10.122 7.542 -3.037 76 1HD2 ASN 9 2HD2 ASN 9 8.502 5.080 -4.863 77 2HD2 ASN 9 1HD2 ASN 9 9.383 5.304 -6.333 78 H ILE 10 H ILE 10 10.020 3.516 -3.800 79 HA ILE 10 HA ILE 10 8.426 2.211 -1.705 80 HB ILE 10 HB ILE 10 6.911 3.315 -3.330 81 1HG1 ILE 10 1HG1 ILE 10 6.579 0.383 -3.766 82 2HG1 ILE 10 2HG1 ILE 10 6.610 0.974 -2.106 83 1HG2 ILE 10 1HG2 ILE 10 8.675 2.576 -5.230 84 2HG2 ILE 10 2HG2 ILE 10 7.467 1.302 -5.406 85 3HG2 ILE 10 3HG2 ILE 10 6.994 2.994 -5.561 86 1HD1 ILE 10 1HD1 ILE 10 4.764 2.477 -2.609 87 2HD1 ILE 10 2HD1 ILE 10 4.726 1.877 -4.267 88 3HD1 ILE 10 3HD1 ILE 10 4.342 0.795 -2.929 89 H THR 11 H THR 11 9.950 0.669 -1.250 90 HA THR 11 HA THR 11 10.864 -1.026 -3.471 91 HB THR 11 HB THR 11 11.993 -0.357 -0.783 92 HG1 THR 11 HG1 THR 11 13.342 -0.807 -3.215 93 1HG2 THR 11 1HG2 THR 11 12.090 -3.013 -1.959 94 2HG2 THR 11 2HG2 THR 11 13.684 -2.307 -1.695 95 3HG2 THR 11 3HG2 THR 11 12.555 -2.465 -0.349 96 H CYS 12 H CYS 12 9.396 -2.587 -3.788 97 HA CYS 12 HA CYS 12 7.779 -3.704 -1.745 98 1HB CYS 12 1HB CYS 12 8.365 -4.995 -4.405 99 2HB CYS 12 2HB CYS 12 6.913 -5.148 -3.421 100 H SER 13 H SER 13 9.330 -4.330 -0.147 101 HA SER 13 HA SER 13 11.269 -6.366 -0.710 102 1HB SER 13 1HB SER 13 10.214 -5.359 1.945 103 2HB SER 13 2HB SER 13 11.630 -6.388 1.729 104 HG SER 13 HG SER 13 12.143 -4.142 1.929 105 H LYS 14 H LYS 14 7.937 -6.310 0.020 106 HA LYS 14 HA LYS 14 7.742 -9.160 -0.178 107 1HB LYS 14 1HB LYS 14 7.747 -7.885 2.451 108 2HB LYS 14 2HB LYS 14 6.300 -8.837 2.160 109 1HG LYS 14 1HG LYS 14 8.851 -10.124 1.445 110 2HG LYS 14 2HG LYS 14 8.573 -9.844 3.165 111 1HD LYS 14 1HD LYS 14 6.285 -10.955 1.685 112 2HD LYS 14 2HD LYS 14 7.688 -12.017 1.809 113 1HE LYS 14 1HE LYS 14 7.124 -12.522 3.894 114 2HE LYS 14 2HE LYS 14 7.271 -10.824 4.347 115 1HZ LYS 14 1HZ LYS 14 4.818 -11.694 3.001 116 2HZ LYS 14 2HZ LYS 14 5.025 -12.112 4.627 117 3HZ LYS 14 3HZ LYS 14 5.040 -10.486 4.164 118 H MET 15 H MET 15 5.277 -9.732 0.480 119 HA MET 15 HA MET 15 3.681 -7.867 -1.114 120 1HB MET 15 1HB MET 15 3.415 -10.772 -0.419 121 2HB MET 15 2HB MET 15 2.010 -9.863 -0.964 122 1HG MET 15 1HG MET 15 3.182 -11.107 -2.759 123 2HG MET 15 2HG MET 15 3.042 -9.375 -3.053 124 1HE MET 15 1HE MET 15 5.046 -7.662 -2.515 125 2HE MET 15 2HE MET 15 6.517 -8.108 -3.380 126 3HE MET 15 3HE MET 15 4.952 -8.225 -4.183 127 H THR 16 H THR 16 1.583 -7.213 -0.446 128 HA THR 16 HA THR 16 1.395 -6.864 2.441 129 HB THR 16 HB THR 16 1.112 -5.003 0.659 130 HG1 THR 16 HG1 THR 16 -0.059 -3.903 2.108 131 1HG2 THR 16 1HG2 THR 16 -1.007 -6.625 -0.155 132 2HG2 THR 16 2HG2 THR 16 -1.741 -5.250 0.668 133 3HG2 THR 16 3HG2 THR 16 -0.640 -4.983 -0.682 134 H SER 17 H SER 17 -1.264 -6.551 2.864 135 HA SER 17 HA SER 17 -2.273 -9.284 2.480 136 1HB SER 17 1HB SER 17 -3.826 -8.626 4.409 137 2HB SER 17 2HB SER 17 -2.117 -8.820 4.799 138 HG SER 17 HG SER 17 -2.778 -6.913 5.708 139 H LYS 18 H LYS 18 -4.796 -9.326 2.590 140 HA LYS 18 HA LYS 18 -5.725 -7.956 0.273 141 1HB LYS 18 1HB LYS 18 -6.586 -10.141 0.698 142 2HB LYS 18 2HB LYS 18 -7.112 -9.690 2.313 143 1HG LYS 18 1HG LYS 18 -9.092 -9.072 1.548 144 2HG LYS 18 2HG LYS 18 -8.343 -7.965 0.391 145 1HD LYS 18 1HD LYS 18 -9.581 -9.449 -0.933 146 2HD LYS 18 2HD LYS 18 -7.922 -10.039 -1.046 147 1HE LYS 18 1HE LYS 18 -8.513 -11.603 0.868 148 2HE LYS 18 2HE LYS 18 -10.193 -11.160 0.572 149 1HZ LYS 18 1HZ LYS 18 -9.104 -11.818 -1.887 150 2HZ LYS 18 2HZ LYS 18 -8.584 -13.018 -0.815 151 3HZ LYS 18 3HZ LYS 18 -10.236 -12.703 -0.995 152 H ILE 19 H ILE 19 -6.534 -5.981 0.138 153 HA ILE 19 HA ILE 19 -7.738 -4.784 2.549 154 HB ILE 19 HB ILE 19 -6.333 -3.232 0.379 155 1HG1 ILE 19 1HG1 ILE 19 -5.196 -3.848 3.104 156 2HG1 ILE 19 2HG1 ILE 19 -4.855 -4.856 1.700 157 1HG2 ILE 19 1HG2 ILE 19 -8.055 -2.087 1.781 158 2HG2 ILE 19 2HG2 ILE 19 -7.047 -2.421 3.191 159 3HG2 ILE 19 3HG2 ILE 19 -6.437 -1.391 1.895 160 1HD1 ILE 19 1HD1 ILE 19 -4.216 -2.477 0.678 161 2HD1 ILE 19 2HD1 ILE 19 -3.883 -2.160 2.380 162 3HD1 ILE 19 3HD1 ILE 19 -3.071 -3.490 1.556 163 HA PRO 20 HA PRO 20 -11.508 -4.427 0.281 164 1HB PRO 20 1HB PRO 20 -11.840 -1.902 1.802 165 2HB PRO 20 2HB PRO 20 -12.915 -3.294 1.692 166 1HG PRO 20 1HG PRO 20 -11.470 -2.829 3.884 167 2HG PRO 20 2HG PRO 20 -11.756 -4.471 3.291 168 1HD PRO 20 1HD PRO 20 -9.300 -2.790 3.098 169 2HD PRO 20 2HD PRO 20 -9.451 -4.543 3.342 170 H VAL 21 H VAL 21 -11.822 -3.676 -1.710 171 HA VAL 21 HA VAL 21 -10.205 -1.676 -2.872 172 HB VAL 21 HB VAL 21 -11.318 -3.533 -4.130 173 1HG1 VAL 21 1HG1 VAL 21 -13.761 -1.810 -3.745 174 2HG1 VAL 21 2HG1 VAL 21 -13.647 -3.153 -4.882 175 3HG1 VAL 21 3HG1 VAL 21 -13.517 -3.451 -3.149 176 1HG2 VAL 21 1HG2 VAL 21 -10.329 -1.628 -5.288 177 2HG2 VAL 21 2HG2 VAL 21 -11.768 -2.202 -6.132 178 3HG2 VAL 21 3HG2 VAL 21 -11.849 -0.743 -5.145 179 H ALA 22 H ALA 22 -13.188 -1.563 -1.144 180 HA ALA 22 HA ALA 22 -14.271 0.826 -2.148 181 1HB ALA 22 1HB ALA 22 -14.573 -0.700 0.400 182 2HB ALA 22 2HB ALA 22 -15.275 0.912 0.264 183 3HB ALA 22 3HB ALA 22 -15.765 -0.360 -0.856 184 H LEU 23 H LEU 23 -11.437 0.295 -0.398 185 HA LEU 23 HA LEU 23 -11.407 3.042 0.647 186 1HB LEU 23 1HB LEU 23 -9.347 0.942 1.249 187 2HB LEU 23 2HB LEU 23 -9.739 2.383 2.168 188 HG LEU 23 HG LEU 23 -11.625 0.049 1.876 189 1HD1 LEU 23 1HD1 LEU 23 -9.485 0.602 3.902 190 2HD1 LEU 23 2HD1 LEU 23 -10.909 -0.358 4.300 191 3HD1 LEU 23 3HD1 LEU 23 -9.818 -0.889 3.020 192 1HD2 LEU 23 1HD2 LEU 23 -11.718 2.675 3.173 193 2HD2 LEU 23 2HD2 LEU 23 -13.029 1.612 2.661 194 3HD2 LEU 23 3HD2 LEU 23 -12.215 1.329 4.200 195 H LEU 24 H LEU 24 -10.059 0.973 -1.743 196 HA LEU 24 HA LEU 24 -7.667 2.459 -2.220 197 1HB LEU 24 1HB LEU 24 -9.166 0.473 -3.926 198 2HB LEU 24 2HB LEU 24 -7.609 1.157 -4.355 199 HG LEU 24 HG LEU 24 -7.947 -0.298 -1.756 200 1HD1 LEU 24 1HD1 LEU 24 -8.267 -1.442 -4.371 201 2HD1 LEU 24 2HD1 LEU 24 -6.821 -2.082 -3.591 202 3HD1 LEU 24 3HD1 LEU 24 -8.386 -2.212 -2.788 203 1HD2 LEU 24 1HD2 LEU 24 -5.855 1.058 -2.950 204 2HD2 LEU 24 2HD2 LEU 24 -5.734 -0.088 -1.616 205 3HD2 LEU 24 3HD2 LEU 24 -5.499 -0.639 -3.275 206 H ILE 25 H ILE 25 -7.241 4.004 -3.766 207 HA ILE 25 HA ILE 25 -9.586 5.102 -5.177 208 HB ILE 25 HB ILE 25 -8.615 7.343 -4.935 209 1HG1 ILE 25 1HG1 ILE 25 -6.604 6.018 -3.101 210 2HG1 ILE 25 2HG1 ILE 25 -6.248 6.607 -4.723 211 1HG2 ILE 25 1HG2 ILE 25 -9.560 5.691 -2.721 212 2HG2 ILE 25 2HG2 ILE 25 -8.681 7.132 -2.207 213 3HG2 ILE 25 3HG2 ILE 25 -10.091 7.285 -3.255 214 1HD1 ILE 25 1HD1 ILE 25 -7.361 8.427 -2.628 215 2HD1 ILE 25 2HD1 ILE 25 -5.634 8.084 -2.730 216 3HD1 ILE 25 3HD1 ILE 25 -6.469 8.832 -4.093 217 H HIS 26 H HIS 26 -6.224 4.224 -5.311 218 HA HIS 26 HA HIS 26 -6.277 4.255 -8.180 219 1HB HIS 26 1HB HIS 26 -5.386 6.593 -6.896 220 2HB HIS 26 2HB HIS 26 -3.932 5.770 -7.454 221 HD1 HIS 26 HD1 HIS 26 -4.009 5.099 -10.108 222 HD2 HIS 26 HD2 HIS 26 -6.627 8.054 -8.812 223 HE1 HIS 26 HE1 HIS 26 -4.724 6.322 -12.186 224 HE2 HIS 26 HE2 HIS 26 -6.368 8.055 -11.386 225 H TYR 27 H TYR 27 -4.624 3.040 -9.105 226 HA TYR 27 HA TYR 27 -2.865 1.648 -7.192 227 1HB TYR 27 1HB TYR 27 -3.095 -0.371 -8.458 228 2HB TYR 27 2HB TYR 27 -4.717 0.244 -8.158 229 HD1 TYR 27 HD1 TYR 27 -6.036 1.226 -9.988 230 HD2 TYR 27 HD2 TYR 27 -2.191 -0.476 -10.689 231 HE1 TYR 27 HE1 TYR 27 -6.513 1.158 -12.404 232 HE2 TYR 27 HE2 TYR 27 -2.657 -0.548 -13.107 233 HH TYR 27 HH TYR 27 -4.411 0.976 -14.691 234 H GLN 28 H GLN 28 -0.760 1.883 -7.542 235 HA GLN 28 HA GLN 28 0.110 2.957 -10.133 236 1HB GLN 28 1HB GLN 28 2.133 2.914 -8.043 237 2HB GLN 28 2HB GLN 28 1.556 4.259 -9.018 238 1HG GLN 28 1HG GLN 28 -0.531 4.014 -7.378 239 2HG GLN 28 2HG GLN 28 0.729 3.370 -6.325 240 1HE2 GLN 28 2HE2 GLN 28 -0.781 5.785 -5.981 241 2HE2 GLN 28 1HE2 GLN 28 0.349 7.091 -5.972 242 H GLN 29 H GLN 29 2.650 2.343 -10.360 243 HA GLN 29 HA GLN 29 2.769 -0.598 -10.217 244 1HB GLN 29 1HB GLN 29 2.688 0.936 -12.512 245 2HB GLN 29 2HB GLN 29 4.406 0.631 -12.304 246 1HG GLN 29 1HG GLN 29 4.083 -1.318 -13.300 247 2HG GLN 29 2HG GLN 29 3.213 -1.831 -11.854 248 1HE2 GLN 29 2HE2 GLN 29 0.869 -1.041 -11.826 249 2HE2 GLN 29 1HE2 GLN 29 -0.011 -1.248 -13.297 250 H ASN 30 H ASN 30 4.852 -1.541 -9.946 251 HA ASN 30 HA ASN 30 6.603 0.093 -8.309 252 1HB ASN 30 1HB ASN 30 6.211 -2.029 -7.366 253 2HB ASN 30 2HB ASN 30 6.437 -2.853 -8.907 254 1HD2 ASN 30 2HD2 ASN 30 7.991 -1.401 -6.174 255 2HD2 ASN 30 1HD2 ASN 30 9.582 -1.992 -6.504 256 H GLN 31 H GLN 31 8.838 0.355 -8.676 257 HA GLN 31 HA GLN 31 9.523 0.691 -11.441 258 1HB GLN 31 1HB GLN 31 11.376 0.974 -9.079 259 2HB GLN 31 2HB GLN 31 11.520 1.733 -10.660 260 1HG GLN 31 1HG GLN 31 9.704 2.409 -8.394 261 2HG GLN 31 2HG GLN 31 10.761 3.458 -9.337 262 1HE2 GLN 31 2HE2 GLN 31 9.748 4.764 -10.665 263 2HE2 GLN 31 1HE2 GLN 31 8.218 4.478 -11.419 264 H ALA 32 H ALA 32 11.212 -0.313 -12.576 265 HA ALA 32 HA ALA 32 11.504 -3.094 -12.070 266 1HB ALA 32 1HB ALA 32 11.765 -1.486 -14.274 267 2HB ALA 32 2HB ALA 32 13.431 -1.956 -13.938 268 3HB ALA 32 3HB ALA 32 12.199 -3.193 -14.191 269 H SER 33 H SER 33 13.045 -0.456 -10.738 270 HA SER 33 HA SER 33 15.303 -2.138 -9.891 271 1HB SER 33 1HB SER 33 16.856 -0.350 -10.114 272 2HB SER 33 2HB SER 33 15.946 -0.386 -11.623 273 HG SER 33 HG SER 33 14.643 1.309 -10.754 274 H CYS 34 H CYS 34 12.858 -1.762 -8.525 275 HA CYS 34 HA CYS 34 13.847 -0.404 -6.119 276 1HB CYS 34 1HB CYS 34 11.202 -0.003 -7.487 277 2HB CYS 34 2HB CYS 34 11.360 0.248 -5.753 278 H GLY 35 H GLY 35 14.078 -3.106 -6.504 279 1HA GLY 35 1HA GLY 35 13.754 -4.812 -4.869 280 2HA GLY 35 2HA GLY 35 12.188 -4.112 -4.494 281 H LYS 36 H LYS 36 10.850 -5.808 -4.825 282 HA LYS 36 HA LYS 36 11.136 -7.489 -7.162 283 1HB LYS 36 1HB LYS 36 9.235 -7.466 -4.829 284 2HB LYS 36 2HB LYS 36 8.982 -8.521 -6.210 285 1HG LYS 36 1HG LYS 36 10.345 -10.000 -5.307 286 2HG LYS 36 2HG LYS 36 11.668 -8.835 -5.399 287 1HD LYS 36 1HD LYS 36 11.636 -8.503 -3.193 288 2HD LYS 36 2HD LYS 36 9.887 -8.271 -3.185 289 1HE LYS 36 1HE LYS 36 9.933 -10.907 -3.527 290 2HE LYS 36 2HE LYS 36 11.484 -10.725 -2.708 291 1HZ LYS 36 1HZ LYS 36 9.371 -9.256 -1.445 292 2HZ LYS 36 2HZ LYS 36 9.064 -10.919 -1.496 293 3HZ LYS 36 3HZ LYS 36 10.480 -10.341 -0.774 294 H ARG 37 H ARG 37 10.106 -7.245 -9.037 295 HA ARG 37 HA ARG 37 8.611 -4.942 -9.631 296 1HB ARG 37 1HB ARG 37 7.979 -6.341 -11.730 297 2HB ARG 37 2HB ARG 37 9.656 -5.875 -11.481 298 1HG ARG 37 1HG ARG 37 10.328 -7.989 -11.352 299 2HG ARG 37 2HG ARG 37 9.025 -8.422 -10.244 300 1HD ARG 37 1HD ARG 37 7.533 -8.867 -12.002 301 2HD ARG 37 2HD ARG 37 8.537 -8.023 -13.178 302 HE ARG 37 HE ARG 37 8.744 -10.754 -12.409 303 1HH1 ARG 37 1HH1 ARG 37 10.617 -7.995 -13.411 304 2HH1 ARG 37 2HH1 ARG 37 11.895 -8.946 -14.089 305 1HH2 ARG 37 1HH2 ARG 37 10.423 -12.017 -13.300 306 2HH2 ARG 37 2HH2 ARG 37 11.786 -11.231 -14.025 307 H ALA 38 H ALA 38 6.890 -4.767 -8.186 308 HA ALA 38 HA ALA 38 4.688 -6.669 -8.656 309 1HB ALA 38 1HB ALA 38 5.969 -6.039 -6.210 310 2HB ALA 38 2HB ALA 38 4.339 -5.370 -6.150 311 3HB ALA 38 3HB ALA 38 4.575 -7.087 -6.481 312 H ILE 39 H ILE 39 2.751 -5.251 -7.196 313 HA ILE 39 HA ILE 39 2.423 -2.866 -8.897 314 HB ILE 39 HB ILE 39 0.368 -4.759 -7.765 315 1HG1 ILE 39 1HG1 ILE 39 1.579 -5.253 -9.949 316 2HG1 ILE 39 2HG1 ILE 39 -0.179 -5.224 -10.028 317 1HG2 ILE 39 1HG2 ILE 39 -0.434 -2.485 -7.430 318 2HG2 ILE 39 2HG2 ILE 39 -0.109 -2.107 -9.122 319 3HG2 ILE 39 3HG2 ILE 39 -1.352 -3.287 -8.705 320 1HD1 ILE 39 1HD1 ILE 39 1.609 -2.937 -10.817 321 2HD1 ILE 39 2HD1 ILE 39 0.907 -4.107 -11.934 322 3HD1 ILE 39 3HD1 ILE 39 -0.142 -3.031 -11.011 323 H ILE 40 H ILE 40 1.354 -1.029 -7.989 324 HA ILE 40 HA ILE 40 1.801 -0.788 -5.094 325 HB ILE 40 HB ILE 40 1.450 1.468 -7.066 326 1HG1 ILE 40 1HG1 ILE 40 3.422 0.408 -7.800 327 2HG1 ILE 40 2HG1 ILE 40 3.988 1.686 -6.727 328 1HG2 ILE 40 1HG2 ILE 40 1.001 1.927 -4.664 329 2HG2 ILE 40 2HG2 ILE 40 2.662 1.457 -4.308 330 3HG2 ILE 40 3HG2 ILE 40 2.342 2.859 -5.328 331 1HD1 ILE 40 1HD1 ILE 40 4.162 -0.002 -4.915 332 2HD1 ILE 40 2HD1 ILE 40 3.765 -1.245 -6.102 333 3HD1 ILE 40 3HD1 ILE 40 5.239 -0.292 -6.282 334 H LEU 41 H LEU 41 0.217 -0.020 -3.736 335 HA LEU 41 HA LEU 41 -2.448 0.376 -4.925 336 1HB LEU 41 1HB LEU 41 -1.675 -1.209 -2.486 337 2HB LEU 41 2HB LEU 41 -3.318 -0.668 -2.772 338 HG LEU 41 HG LEU 41 -1.719 -2.589 -4.459 339 1HD1 LEU 41 1HD1 LEU 41 -3.959 -2.822 -2.515 340 2HD1 LEU 41 2HD1 LEU 41 -3.917 -3.919 -3.896 341 3HD1 LEU 41 3HD1 LEU 41 -2.564 -3.871 -2.766 342 1HD2 LEU 41 1HD2 LEU 41 -3.863 -0.829 -5.214 343 2HD2 LEU 41 2HD2 LEU 41 -2.942 -1.962 -6.202 344 3HD2 LEU 41 3HD2 LEU 41 -4.377 -2.512 -5.335 345 H GLU 42 H GLU 42 -3.143 2.364 -4.575 346 HA GLU 42 HA GLU 42 -2.323 3.740 -2.102 347 1HB GLU 42 1HB GLU 42 -1.460 4.912 -4.007 348 2HB GLU 42 2HB GLU 42 -3.012 4.837 -4.829 349 1HG GLU 42 1HG GLU 42 -3.940 6.248 -2.964 350 2HG GLU 42 2HG GLU 42 -2.277 6.478 -2.424 351 H THR 43 H THR 43 -3.866 4.133 -0.658 352 HA THR 43 HA THR 43 -6.666 3.906 -1.523 353 HB THR 43 HB THR 43 -7.221 3.316 0.723 354 HG1 THR 43 HG1 THR 43 -6.091 4.018 2.325 355 1HG2 THR 43 1HG2 THR 43 -4.866 1.935 -0.423 356 2HG2 THR 43 2HG2 THR 43 -5.326 1.551 1.235 357 3HG2 THR 43 3HG2 THR 43 -6.484 1.325 -0.075 358 H ARG 44 H ARG 44 -8.243 5.272 -0.330 359 HA ARG 44 HA ARG 44 -7.695 7.992 -0.694 360 1HB ARG 44 1HB ARG 44 -9.840 8.349 0.558 361 2HB ARG 44 2HB ARG 44 -9.958 7.234 -0.796 362 1HG ARG 44 1HG ARG 44 -9.935 5.345 0.694 363 2HG ARG 44 2HG ARG 44 -9.652 6.399 2.080 364 1HD ARG 44 1HD ARG 44 -11.961 5.862 2.091 365 2HD ARG 44 2HD ARG 44 -11.830 7.528 1.531 366 HE ARG 44 HE ARG 44 -11.936 5.519 -0.550 367 1HH1 ARG 44 1HH1 ARG 44 -13.711 7.755 1.440 368 2HH1 ARG 44 2HH1 ARG 44 -15.064 7.843 0.363 369 1HH2 ARG 44 1HH2 ARG 44 -13.711 5.626 -1.978 370 2HH2 ARG 44 2HH2 ARG 44 -15.063 6.632 -1.582 371 H GLN 45 H GLN 45 -6.825 5.940 1.845 372 HA GLN 45 HA GLN 45 -6.548 8.167 3.736 373 1HB GLN 45 1HB GLN 45 -6.373 5.178 4.161 374 2HB GLN 45 2HB GLN 45 -6.116 6.381 5.415 375 1HG GLN 45 1HG GLN 45 -8.285 6.513 5.806 376 2HG GLN 45 2HG GLN 45 -8.612 6.880 4.114 377 1HE2 GLN 45 2HE2 GLN 45 -9.383 4.845 6.512 378 2HE2 GLN 45 1HE2 GLN 45 -9.811 3.438 5.604 379 H HIS 46 H HIS 46 -4.824 7.795 1.416 380 HA HIS 46 HA HIS 46 -2.622 7.808 0.838 381 1HB HIS 46 1HB HIS 46 -1.992 8.409 3.719 382 2HB HIS 46 2HB HIS 46 -1.169 8.983 2.272 383 HD1 HIS 46 HD1 HIS 46 -3.831 9.941 0.817 384 HD2 HIS 46 HD2 HIS 46 -2.644 10.919 4.677 385 HE1 HIS 46 HE1 HIS 46 -5.013 12.093 1.359 386 HE2 HIS 46 HE2 HIS 46 -4.220 12.705 3.670 387 H ARG 47 H ARG 47 -3.483 5.284 1.184 388 HA ARG 47 HA ARG 47 -1.441 3.944 2.819 389 1HB ARG 47 1HB ARG 47 -3.950 3.429 3.060 390 2HB ARG 47 2HB ARG 47 -3.796 2.597 1.519 391 1HG ARG 47 1HG ARG 47 -1.888 1.300 2.633 392 2HG ARG 47 2HG ARG 47 -2.545 1.919 4.150 393 1HD ARG 47 1HD ARG 47 -4.794 1.009 2.937 394 2HD ARG 47 2HD ARG 47 -3.597 -0.135 2.329 395 HE ARG 47 HE ARG 47 -4.531 0.140 5.055 396 1HH1 ARG 47 1HH1 ARG 47 -2.096 -1.145 2.921 397 2HH1 ARG 47 2HH1 ARG 47 -1.578 -2.365 4.037 398 1HH2 ARG 47 1HH2 ARG 47 -3.855 -1.459 6.532 399 2HH2 ARG 47 2HH2 ARG 47 -2.578 -2.544 6.090 400 H LEU 48 H LEU 48 0.354 3.669 1.645 401 HA LEU 48 HA LEU 48 0.084 2.651 -1.104 402 1HB LEU 48 1HB LEU 48 2.518 3.935 0.130 403 2HB LEU 48 2HB LEU 48 2.266 3.549 -1.562 404 HG LEU 48 HG LEU 48 0.772 5.649 0.011 405 1HD1 LEU 48 1HD1 LEU 48 3.133 6.189 -0.519 406 2HD1 LEU 48 2HD1 LEU 48 2.762 5.966 -2.229 407 3HD1 LEU 48 3HD1 LEU 48 1.971 7.251 -1.316 408 1HD2 LEU 48 1HD2 LEU 48 -0.007 4.247 -2.299 409 2HD2 LEU 48 2HD2 LEU 48 -0.749 5.688 -1.604 410 3HD2 LEU 48 3HD2 LEU 48 0.507 5.847 -2.832 411 H PHE 49 H PHE 49 0.280 0.506 -1.165 412 HA PHE 49 HA PHE 49 2.498 -0.719 0.329 413 1HB PHE 49 1HB PHE 49 -0.369 -1.634 0.226 414 2HB PHE 49 2HB PHE 49 0.943 -2.740 0.616 415 HD1 PHE 49 HD1 PHE 49 -0.371 0.605 1.629 416 HD2 PHE 49 HD2 PHE 49 1.494 -3.038 2.829 417 HE1 PHE 49 HE1 PHE 49 -0.468 1.335 3.982 418 HE2 PHE 49 HE2 PHE 49 1.401 -2.316 5.185 419 HZ PHE 49 HZ PHE 49 0.420 -0.126 5.762 420 H CYS 50 H CYS 50 3.293 -2.707 -0.565 421 HA CYS 50 HA CYS 50 2.994 -2.783 -3.474 422 1HB CYS 50 1HB CYS 50 5.106 -3.668 -1.552 423 2HB CYS 50 2HB CYS 50 5.005 -4.458 -3.122 424 H ALA 51 H ALA 51 1.229 -3.993 -3.951 425 HA ALA 51 HA ALA 51 0.995 -6.645 -2.705 426 1HB ALA 51 1HB ALA 51 -0.924 -4.637 -3.429 427 2HB ALA 51 2HB ALA 51 -1.289 -6.153 -4.254 428 3HB ALA 51 3HB ALA 51 -1.152 -6.116 -2.496 429 H ASP 52 H ASP 52 0.987 -8.494 -3.909 430 HA ASP 52 HA ASP 52 2.243 -8.414 -6.462 431 1HB ASP 52 1HB ASP 52 2.150 -10.279 -4.535 432 2HB ASP 52 2HB ASP 52 0.876 -10.902 -5.582 433 HA PRO 53 HA PRO 53 -1.281 -7.999 -9.083 434 1HB PRO 53 1HB PRO 53 -0.259 -9.156 -11.332 435 2HB PRO 53 2HB PRO 53 0.142 -7.519 -10.803 436 1HG PRO 53 1HG PRO 53 1.671 -10.059 -10.427 437 2HG PRO 53 2HG PRO 53 2.267 -8.451 -10.873 438 1HD PRO 53 1HD PRO 53 2.488 -9.407 -8.365 439 2HD PRO 53 2HD PRO 53 2.205 -7.684 -8.691 440 H LYS 54 H LYS 54 0.037 -10.983 -8.110 441 HA LYS 54 HA LYS 54 -1.763 -12.676 -9.575 442 1HB LYS 54 1HB LYS 54 0.325 -13.053 -7.490 443 2HB LYS 54 2HB LYS 54 -0.907 -14.301 -7.632 444 1HG LYS 54 1HG LYS 54 -0.174 -13.909 -10.239 445 2HG LYS 54 2HG LYS 54 1.347 -13.685 -9.373 446 1HD LYS 54 1HD LYS 54 0.149 -15.914 -8.191 447 2HD LYS 54 2HD LYS 54 -0.111 -16.111 -9.926 448 1HE LYS 54 1HE LYS 54 1.982 -17.152 -9.221 449 2HE LYS 54 2HE LYS 54 2.277 -15.809 -10.326 450 1HZ LYS 54 1HZ LYS 54 2.272 -14.925 -7.626 451 2HZ LYS 54 2HZ LYS 54 3.389 -16.177 -7.836 452 3HZ LYS 54 3HZ LYS 54 3.487 -14.786 -8.794 453 H GLU 55 H GLU 55 -1.948 -10.812 -6.718 454 HA GLU 55 HA GLU 55 -3.843 -12.347 -5.274 455 1HB GLU 55 1HB GLU 55 -3.404 -9.356 -5.203 456 2HB GLU 55 2HB GLU 55 -4.228 -10.315 -3.981 457 1HG GLU 55 1HG GLU 55 -2.256 -11.302 -3.245 458 2HG GLU 55 2HG GLU 55 -1.384 -10.876 -4.717 459 H GLN 56 H GLN 56 -5.969 -12.575 -5.516 460 HA GLN 56 HA GLN 56 -7.316 -11.802 -7.823 461 1HB GLN 56 1HB GLN 56 -7.976 -13.664 -6.305 462 2HB GLN 56 2HB GLN 56 -8.558 -12.473 -5.150 463 1HG GLN 56 1HG GLN 56 -9.605 -12.823 -7.950 464 2HG GLN 56 2HG GLN 56 -10.357 -13.465 -6.491 465 1HE2 GLN 56 2HE2 GLN 56 -9.889 -10.727 -8.486 466 2HE2 GLN 56 1HE2 GLN 56 -10.873 -9.622 -7.596 467 H TRP 57 H TRP 57 -7.774 -10.507 -4.534 468 HA TRP 57 HA TRP 57 -9.566 -8.500 -5.099 469 1HB TRP 57 1HB TRP 57 -8.952 -7.497 -3.034 470 2HB TRP 57 2HB TRP 57 -8.730 -9.231 -2.829 471 HD1 TRP 57 HD1 TRP 57 -6.039 -10.059 -3.208 472 HE1 TRP 57 HE1 TRP 57 -3.915 -8.896 -2.333 473 HE3 TRP 57 HE3 TRP 57 -7.946 -5.378 -2.407 474 HZ2 TRP 57 HZ2 TRP 57 -3.149 -6.332 -1.421 475 HZ3 TRP 57 HZ3 TRP 57 -6.452 -3.625 -1.531 476 HH2 TRP 57 HH2 TRP 57 -4.101 -4.095 -1.047 477 H VAL 58 H VAL 58 -6.286 -8.653 -6.094 478 HA VAL 58 HA VAL 58 -6.032 -5.778 -6.418 479 HB VAL 58 HB VAL 58 -4.166 -8.003 -7.250 480 1HG1 VAL 58 1HG1 VAL 58 -4.237 -5.253 -7.996 481 2HG1 VAL 58 2HG1 VAL 58 -2.829 -5.530 -6.970 482 3HG1 VAL 58 3HG1 VAL 58 -3.056 -6.488 -8.434 483 1HG2 VAL 58 1HG2 VAL 58 -4.486 -7.755 -4.805 484 2HG2 VAL 58 2HG2 VAL 58 -2.844 -7.385 -5.331 485 3HG2 VAL 58 3HG2 VAL 58 -3.959 -6.078 -4.937 486 H LYS 59 H LYS 59 -6.519 -8.636 -8.438 487 HA LYS 59 HA LYS 59 -6.253 -7.328 -10.928 488 1HB LYS 59 1HB LYS 59 -8.046 -9.700 -10.420 489 2HB LYS 59 2HB LYS 59 -7.213 -9.271 -11.906 490 1HG LYS 59 1HG LYS 59 -5.197 -10.078 -11.174 491 2HG LYS 59 2HG LYS 59 -5.611 -9.873 -9.470 492 1HD LYS 59 1HD LYS 59 -7.228 -11.717 -9.668 493 2HD LYS 59 2HD LYS 59 -6.746 -11.941 -11.347 494 1HE LYS 59 1HE LYS 59 -4.425 -12.360 -10.563 495 2HE LYS 59 2HE LYS 59 -5.015 -12.281 -8.903 496 1HZ LYS 59 1HZ LYS 59 -6.541 -14.134 -9.477 497 2HZ LYS 59 2HZ LYS 59 -5.771 -14.265 -10.977 498 3HZ LYS 59 3HZ LYS 59 -4.903 -14.554 -9.555 499 H ASP 60 H ASP 60 -9.099 -8.106 -8.949 500 HA ASP 60 HA ASP 60 -10.927 -6.783 -10.703 501 1HB ASP 60 1HB ASP 60 -11.160 -7.813 -7.878 502 2HB ASP 60 2HB ASP 60 -12.483 -6.979 -8.684 503 H ALA 61 H ALA 61 -9.357 -5.941 -7.629 504 HA ALA 61 HA ALA 61 -10.569 -3.551 -7.067 505 1HB ALA 61 1HB ALA 61 -7.774 -4.527 -6.661 506 2HB ALA 61 2HB ALA 61 -8.196 -2.869 -6.237 507 3HB ALA 61 3HB ALA 61 -9.037 -4.216 -5.470 508 H MET 62 H MET 62 -8.027 -4.209 -9.420 509 HA MET 62 HA MET 62 -7.633 -1.487 -10.161 510 1HB MET 62 1HB MET 62 -6.782 -4.134 -11.245 511 2HB MET 62 2HB MET 62 -6.663 -2.728 -12.293 512 1HG MET 62 1HG MET 62 -5.388 -1.630 -10.369 513 2HG MET 62 2HG MET 62 -5.255 -3.258 -9.705 514 1HE MET 62 1HE MET 62 -4.810 -5.173 -11.220 515 2HE MET 62 2HE MET 62 -4.474 -4.952 -12.938 516 3HE MET 62 3HE MET 62 -3.150 -5.241 -11.808 517 H GLN 63 H GLN 63 -9.115 -4.193 -11.970 518 HA GLN 63 HA GLN 63 -10.165 -2.813 -14.078 519 1HB GLN 63 1HB GLN 63 -10.335 -5.308 -13.601 520 2HB GLN 63 2HB GLN 63 -11.734 -4.931 -12.604 521 1HG GLN 63 1HG GLN 63 -12.119 -3.661 -15.094 522 2HG GLN 63 2HG GLN 63 -11.586 -5.311 -15.420 523 1HE2 GLN 63 2HE2 GLN 63 -13.115 -6.781 -15.502 524 2HE2 GLN 63 1HE2 GLN 63 -14.670 -6.681 -14.757 525 H HIS 64 H HIS 64 -11.147 -2.739 -10.762 526 HA HIS 64 HA HIS 64 -13.694 -1.526 -11.169 527 1HB HIS 64 1HB HIS 64 -13.043 -2.808 -9.118 528 2HB HIS 64 2HB HIS 64 -11.978 -1.476 -8.681 529 HD1 HIS 64 HD1 HIS 64 -15.672 -1.923 -9.499 530 HD2 HIS 64 HD2 HIS 64 -13.169 0.284 -7.023 531 HE1 HIS 64 HE1 HIS 64 -17.200 -0.536 -8.060 532 HE2 HIS 64 HE2 HIS 64 -15.666 0.728 -6.513 533 H LEU 65 H LEU 65 -10.553 -0.285 -10.054 534 HA LEU 65 HA LEU 65 -11.347 2.427 -9.987 535 1HB LEU 65 1HB LEU 65 -8.709 1.006 -10.015 536 2HB LEU 65 2HB LEU 65 -8.762 2.751 -10.186 537 HG LEU 65 HG LEU 65 -9.953 1.243 -7.858 538 1HD1 LEU 65 1HD1 LEU 65 -7.327 2.707 -8.077 539 2HD1 LEU 65 2HD1 LEU 65 -8.026 2.076 -6.586 540 3HD1 LEU 65 3HD1 LEU 65 -7.544 0.969 -7.872 541 1HD2 LEU 65 1HD2 LEU 65 -10.947 3.460 -8.410 542 2HD2 LEU 65 2HD2 LEU 65 -10.177 3.392 -6.824 543 3HD2 LEU 65 3HD2 LEU 65 -9.355 4.180 -8.171 544 H ASP 66 H ASP 66 -10.172 0.342 -12.514 545 HA ASP 66 HA ASP 66 -9.338 2.294 -14.361 546 1HB ASP 66 1HB ASP 66 -10.390 -0.512 -14.741 547 2HB ASP 66 2HB ASP 66 -9.784 0.474 -16.068 548 H ARG 67 H ARG 67 -12.384 0.428 -14.348 549 HA ARG 67 HA ARG 67 -13.609 2.479 -16.028 550 1HB ARG 67 1HB ARG 67 -14.175 -0.362 -15.401 551 2HB ARG 67 2HB ARG 67 -15.573 0.660 -15.704 552 1HG ARG 67 1HG ARG 67 -15.250 0.406 -17.875 553 2HG ARG 67 2HG ARG 67 -13.700 1.236 -17.725 554 1HD ARG 67 1HD ARG 67 -12.515 -0.676 -17.842 555 2HD ARG 67 2HD ARG 67 -13.695 -1.584 -16.896 556 HE ARG 67 HE ARG 67 -13.468 -1.557 -19.706 557 1HH1 ARG 67 1HH1 ARG 67 -15.860 -1.514 -17.176 558 2HH1 ARG 67 2HH1 ARG 67 -17.084 -2.272 -18.141 559 1HH2 ARG 67 1HH2 ARG 67 -15.071 -2.557 -20.987 560 2HH2 ARG 67 2HH2 ARG 67 -16.634 -2.865 -20.307 561 H GLN 68 H GLN 68 -13.119 3.578 -13.660 562 HA GLN 68 HA GLN 68 -15.782 4.017 -12.593 563 1HB GLN 68 1HB GLN 68 -15.097 2.281 -11.114 564 2HB GLN 68 2HB GLN 68 -13.492 2.976 -10.930 565 1HG GLN 68 1HG GLN 68 -14.873 5.013 -9.973 566 2HG GLN 68 2HG GLN 68 -16.055 3.744 -9.652 567 1HE2 GLN 68 2HE2 GLN 68 -13.870 1.757 -9.339 568 2HE2 GLN 68 1HE2 GLN 68 -13.224 2.043 -7.762 569 H ALA 69 H ALA 69 -12.344 4.755 -11.995 570 HA ALA 69 HA ALA 69 -12.723 7.317 -10.950 571 1HB ALA 69 1HB ALA 69 -10.495 5.713 -11.861 572 2HB ALA 69 2HB ALA 69 -10.275 7.418 -12.257 573 3HB ALA 69 3HB ALA 69 -10.562 6.930 -10.586 574 H ALA 70 H ALA 70 -12.254 6.245 -14.289 575 HA ALA 70 HA ALA 70 -12.177 8.869 -15.396 576 1HB ALA 70 1HB ALA 70 -12.520 6.130 -16.566 577 2HB ALA 70 2HB ALA 70 -12.659 7.578 -17.560 578 3HB ALA 70 3HB ALA 70 -11.153 7.235 -16.709 579 H ALA 71 H ALA 71 -14.716 6.501 -14.829 580 HA ALA 71 HA ALA 71 -16.748 7.689 -16.336 581 1HB ALA 71 1HB ALA 71 -16.758 5.393 -15.294 582 2HB ALA 71 2HB ALA 71 -17.180 6.179 -13.772 583 3HB ALA 71 3HB ALA 71 -18.263 6.303 -15.159 584 H LEU 72 H LEU 72 -15.195 8.802 -13.562 585 HA LEU 72 HA LEU 72 -17.427 10.626 -12.949 586 1HB LEU 72 1HB LEU 72 -16.582 9.005 -11.150 587 2HB LEU 72 2HB LEU 72 -15.154 10.013 -11.086 588 HG LEU 72 HG LEU 72 -17.422 11.682 -10.875 589 1HD1 LEU 72 1HD1 LEU 72 -18.472 9.485 -10.136 590 2HD1 LEU 72 2HD1 LEU 72 -17.417 9.596 -8.727 591 3HD1 LEU 72 3HD1 LEU 72 -18.611 10.857 -9.036 592 1HD2 LEU 72 1HD2 LEU 72 -14.964 11.056 -9.427 593 2HD2 LEU 72 2HD2 LEU 72 -15.706 12.617 -9.782 594 3HD2 LEU 72 3HD2 LEU 72 -16.275 11.661 -8.413 595 H THR 73 H THR 73 -13.887 10.400 -13.138 596 HA THR 73 HA THR 73 -13.832 13.196 -14.024 597 HB THR 73 HB THR 73 -12.159 13.843 -12.536 598 HG1 THR 73 HG1 THR 73 -10.708 12.522 -11.724 599 1HG2 THR 73 1HG2 THR 73 -13.895 11.926 -11.003 600 2HG2 THR 73 2HG2 THR 73 -12.796 13.088 -10.261 601 3HG2 THR 73 3HG2 THR 73 -14.151 13.655 -11.237 602 H ARG 74 H ARG 74 -13.449 12.542 -16.134 603 HA ARG 74 HA ARG 74 -11.491 10.639 -16.878 604 1HB ARG 74 1HB ARG 74 -12.533 12.901 -18.585 605 2HB ARG 74 2HB ARG 74 -11.855 11.376 -19.134 606 1HG ARG 74 1HG ARG 74 -13.805 10.267 -17.920 607 2HG ARG 74 2HG ARG 74 -14.511 11.881 -17.842 608 1HD ARG 74 1HD ARG 74 -13.601 11.455 -20.494 609 2HD ARG 74 2HD ARG 74 -14.519 10.033 -20.005 610 HE ARG 74 HE ARG 74 -15.803 12.549 -19.416 611 1HH1 ARG 74 1HH1 ARG 74 -15.360 10.004 -21.752 612 2HH1 ARG 74 2HH1 ARG 74 -16.846 10.330 -22.582 613 1HH2 ARG 74 1HH2 ARG 74 -17.762 12.985 -20.500 614 2HH2 ARG 74 2HH2 ARG 74 -18.211 12.024 -21.870 615 H ASN 75 H ASN 75 -9.449 10.960 -16.195 616 HA ASN 75 HA ASN 75 -8.145 13.471 -17.009 617 1HB ASN 75 1HB ASN 75 -8.481 13.383 -14.548 618 2HB ASN 75 2HB ASN 75 -7.534 11.897 -14.498 619 1HD2 ASN 75 2HD2 ASN 75 -7.443 15.336 -15.066 620 2HD2 ASN 75 1HD2 ASN 75 -5.733 15.517 -14.896 621 H GLY 76 H GLY 76 -7.338 10.192 -15.841 622 1HA GLY 76 1HA GLY 76 -4.817 9.963 -16.927 623 2HA GLY 76 2HA GLY 76 -5.912 8.607 -16.699 Start of MODEL 7 1 2H MET 0 2H MET 0 21.273 9.740 2.986 2 3H MET 0 3H MET 0 21.380 8.112 3.514 3 1H MET 0 1H MET 0 22.459 9.290 4.143 4 HA MET 0 HA MET 0 22.393 8.022 1.516 5 1HB MET 0 1HB MET 0 22.412 10.713 1.681 6 2HB MET 0 2HB MET 0 24.126 10.397 1.922 7 1HG MET 0 1HG MET 0 23.557 8.810 -0.221 8 2HG MET 0 2HG MET 0 22.493 10.190 -0.489 9 1HE MET 0 1HE MET 0 24.212 9.876 -2.739 10 2HE MET 0 2HE MET 0 23.503 11.476 -2.514 11 3HE MET 0 3HE MET 0 25.214 11.317 -2.911 12 H GLN 1 H GLN 1 23.185 7.497 4.425 13 HA GLN 1 HA GLN 1 26.060 7.042 3.994 14 1HB GLN 1 1HB GLN 1 24.538 7.952 6.264 15 2HB GLN 1 2HB GLN 1 25.403 6.477 6.675 16 1HG GLN 1 1HG GLN 1 27.459 7.615 5.685 17 2HG GLN 1 2HG GLN 1 26.516 9.102 5.755 18 1HE2 GLN 1 2HE2 GLN 1 25.108 8.446 8.151 19 2HE2 GLN 1 1HE2 GLN 1 26.235 8.558 9.456 20 H HIS 2 H HIS 2 23.813 5.429 6.199 21 HA HIS 2 HA HIS 2 24.671 2.858 5.067 22 1HB HIS 2 1HB HIS 2 24.312 1.873 7.154 23 2HB HIS 2 2HB HIS 2 24.946 3.461 7.572 24 HD1 HIS 2 HD1 HIS 2 23.335 5.124 8.706 25 HD2 HIS 2 HD2 HIS 2 21.624 1.440 7.832 26 HE1 HIS 2 HE1 HIS 2 21.157 5.081 9.960 27 HE2 HIS 2 HE2 HIS 2 20.098 2.880 9.344 28 H HIS 3 H HIS 3 21.808 4.666 6.096 29 HA HIS 3 HA HIS 3 19.754 2.970 5.816 30 1HB HIS 3 1HB HIS 3 19.961 5.689 5.846 31 2HB HIS 3 2HB HIS 3 19.329 5.414 4.226 32 HD1 HIS 3 HD1 HIS 3 17.531 2.926 5.072 33 HD2 HIS 3 HD2 HIS 3 17.589 6.663 6.888 34 HE1 HIS 3 HE1 HIS 3 15.301 3.154 6.215 35 HE2 HIS 3 HE2 HIS 3 15.405 5.375 7.397 36 H GLY 4 H GLY 4 21.732 4.188 3.183 37 1HA GLY 4 1HA GLY 4 22.077 2.722 1.272 38 2HA GLY 4 2HA GLY 4 20.385 2.260 1.399 39 H VAL 5 H VAL 5 22.126 3.534 -0.759 40 HA VAL 5 HA VAL 5 20.394 5.860 -1.291 41 HB VAL 5 HB VAL 5 22.733 6.512 -1.052 42 1HG1 VAL 5 1HG1 VAL 5 23.200 4.093 -2.483 43 2HG1 VAL 5 2HG1 VAL 5 23.905 5.432 -3.389 44 3HG1 VAL 5 3HG1 VAL 5 24.368 5.165 -1.708 45 1HG2 VAL 5 1HG2 VAL 5 21.144 6.916 -3.421 46 2HG2 VAL 5 2HG2 VAL 5 22.161 8.059 -2.543 47 3HG2 VAL 5 3HG2 VAL 5 22.864 7.031 -3.792 48 H THR 6 H THR 6 18.783 4.568 -2.280 49 HA THR 6 HA THR 6 19.569 3.445 -4.888 50 HB THR 6 HB THR 6 18.765 1.704 -3.394 51 HG1 THR 6 HG1 THR 6 18.095 1.204 -5.368 52 1HG2 THR 6 1HG2 THR 6 17.275 3.348 -2.069 53 2HG2 THR 6 2HG2 THR 6 16.058 2.951 -3.283 54 3HG2 THR 6 3HG2 THR 6 16.752 1.677 -2.279 55 H LYS 7 H LYS 7 17.611 5.695 -3.221 56 HA LYS 7 HA LYS 7 16.166 7.311 -3.903 57 1HB LYS 7 1HB LYS 7 17.946 6.865 -6.138 58 2HB LYS 7 2HB LYS 7 16.348 7.338 -6.700 59 1HG LYS 7 1HG LYS 7 17.219 8.980 -4.489 60 2HG LYS 7 2HG LYS 7 18.371 9.015 -5.825 61 1HD LYS 7 1HD LYS 7 17.036 10.419 -6.913 62 2HD LYS 7 2HD LYS 7 15.778 9.181 -6.941 63 1HE LYS 7 1HE LYS 7 16.211 10.936 -4.546 64 2HE LYS 7 2HE LYS 7 15.207 11.455 -5.900 65 1HZ LYS 7 1HZ LYS 7 14.775 8.917 -4.427 66 2HZ LYS 7 2HZ LYS 7 13.986 10.363 -4.040 67 3HZ LYS 7 3HZ LYS 7 13.742 9.642 -5.551 68 H CYS 8 H CYS 8 15.001 4.905 -3.435 69 HA CYS 8 HA CYS 8 12.973 4.719 -5.566 70 1HB CYS 8 1HB CYS 8 14.310 2.594 -3.947 71 2HB CYS 8 2HB CYS 8 12.637 2.350 -4.432 72 H ASN 9 H ASN 9 11.755 6.358 -4.543 73 HA ASN 9 HA ASN 9 10.958 6.816 -2.062 74 1HB ASN 9 1HB ASN 9 8.536 7.071 -3.074 75 2HB ASN 9 2HB ASN 9 9.840 8.142 -3.577 76 1HD2 ASN 9 2HD2 ASN 9 7.602 5.752 -4.530 77 2HD2 ASN 9 1HD2 ASN 9 8.044 5.675 -6.199 78 H ILE 10 H ILE 10 9.562 4.181 -4.010 79 HA ILE 10 HA ILE 10 8.668 2.943 -1.487 80 HB ILE 10 HB ILE 10 6.788 3.826 -2.892 81 1HG1 ILE 10 1HG1 ILE 10 6.515 0.858 -2.814 82 2HG1 ILE 10 2HG1 ILE 10 6.873 1.692 -1.306 83 1HG2 ILE 10 1HG2 ILE 10 7.943 3.166 -5.060 84 2HG2 ILE 10 2HG2 ILE 10 7.380 1.526 -4.732 85 3HG2 ILE 10 3HG2 ILE 10 6.214 2.833 -4.945 86 1HD1 ILE 10 1HD1 ILE 10 4.878 3.201 -1.972 87 2HD1 ILE 10 2HD1 ILE 10 4.447 1.850 -3.020 88 3HD1 ILE 10 3HD1 ILE 10 4.585 1.605 -1.279 89 H THR 11 H THR 11 8.951 0.760 -1.250 90 HA THR 11 HA THR 11 10.211 -0.706 -3.461 91 HB THR 11 HB THR 11 11.940 0.143 -1.846 92 HG1 THR 11 HG1 THR 11 11.680 -2.678 -1.871 93 1HG2 THR 11 1HG2 THR 11 10.331 -1.489 0.051 94 2HG2 THR 11 2HG2 THR 11 12.082 -1.411 0.239 95 3HG2 THR 11 3HG2 THR 11 11.122 0.068 0.291 96 H CYS 12 H CYS 12 9.608 -2.816 -3.649 97 HA CYS 12 HA CYS 12 7.493 -3.710 -1.828 98 1HB CYS 12 1HB CYS 12 8.267 -4.597 -4.610 99 2HB CYS 12 2HB CYS 12 7.034 -5.399 -3.643 100 H SER 13 H SER 13 9.276 -4.161 -0.249 101 HA SER 13 HA SER 13 11.034 -6.365 -0.758 102 1HB SER 13 1HB SER 13 10.928 -4.335 1.128 103 2HB SER 13 2HB SER 13 10.544 -5.780 2.061 104 HG SER 13 HG SER 13 12.914 -4.974 1.265 105 H LYS 14 H LYS 14 7.880 -5.945 0.691 106 HA LYS 14 HA LYS 14 7.589 -8.855 0.797 107 1HB LYS 14 1HB LYS 14 6.978 -8.973 2.998 108 2HB LYS 14 2HB LYS 14 8.114 -7.636 3.093 109 1HG LYS 14 1HG LYS 14 5.134 -7.308 2.825 110 2HG LYS 14 2HG LYS 14 6.011 -7.278 4.356 111 1HD LYS 14 1HD LYS 14 7.083 -5.276 3.843 112 2HD LYS 14 2HD LYS 14 6.796 -5.456 2.111 113 1HE LYS 14 1HE LYS 14 4.711 -4.874 4.211 114 2HE LYS 14 2HE LYS 14 5.374 -3.717 3.057 115 1HZ LYS 14 1HZ LYS 14 4.440 -5.921 1.622 116 2HZ LYS 14 2HZ LYS 14 3.224 -5.484 2.713 117 3HZ LYS 14 3HZ LYS 14 3.830 -4.343 1.622 118 H MET 15 H MET 15 5.381 -9.586 0.752 119 HA MET 15 HA MET 15 3.706 -7.814 -0.820 120 1HB MET 15 1HB MET 15 3.679 -10.738 -0.175 121 2HB MET 15 2HB MET 15 2.219 -9.971 -0.787 122 1HG MET 15 1HG MET 15 3.769 -11.090 -2.467 123 2HG MET 15 2HG MET 15 3.194 -9.465 -2.836 124 1HE MET 15 1HE MET 15 4.247 -7.914 -3.603 125 2HE MET 15 2HE MET 15 5.625 -7.152 -2.808 126 3HE MET 15 3HE MET 15 5.870 -8.115 -4.264 127 H THR 16 H THR 16 1.225 -8.154 -0.341 128 HA THR 16 HA THR 16 0.776 -7.829 2.548 129 HB THR 16 HB THR 16 0.823 -5.649 1.227 130 HG1 THR 16 HG1 THR 16 -1.719 -5.878 2.312 131 1HG2 THR 16 1HG2 THR 16 -1.241 -7.030 -0.253 132 2HG2 THR 16 2HG2 THR 16 -1.801 -5.491 0.398 133 3HG2 THR 16 3HG2 THR 16 -0.373 -5.544 -0.635 134 H SER 17 H SER 17 -1.808 -7.681 2.824 135 HA SER 17 HA SER 17 -2.830 -10.120 1.540 136 1HB SER 17 1HB SER 17 -3.336 -8.845 4.213 137 2HB SER 17 2HB SER 17 -4.523 -9.949 3.518 138 HG SER 17 HG SER 17 -2.441 -10.626 4.887 139 H LYS 18 H LYS 18 -5.437 -10.019 1.765 140 HA LYS 18 HA LYS 18 -6.297 -8.309 -0.266 141 1HB LYS 18 1HB LYS 18 -7.351 -10.478 0.944 142 2HB LYS 18 2HB LYS 18 -8.331 -9.220 1.683 143 1HG LYS 18 1HG LYS 18 -8.890 -8.407 -0.605 144 2HG LYS 18 2HG LYS 18 -8.046 -9.816 -1.252 145 1HD LYS 18 1HD LYS 18 -10.009 -10.874 -1.110 146 2HD LYS 18 2HD LYS 18 -9.736 -10.905 0.634 147 1HE LYS 18 1HE LYS 18 -10.767 -8.412 0.293 148 2HE LYS 18 2HE LYS 18 -11.620 -9.313 -0.960 149 1HZ LYS 18 1HZ LYS 18 -11.731 -10.933 1.234 150 2HZ LYS 18 2HZ LYS 18 -11.961 -9.386 1.876 151 3HZ LYS 18 3HZ LYS 18 -12.984 -9.953 0.655 152 H ILE 19 H ILE 19 -7.649 -6.477 -0.250 153 HA ILE 19 HA ILE 19 -8.085 -5.103 2.280 154 HB ILE 19 HB ILE 19 -6.593 -3.742 0.036 155 1HG1 ILE 19 1HG1 ILE 19 -5.578 -4.723 2.715 156 2HG1 ILE 19 2HG1 ILE 19 -5.170 -5.410 1.145 157 1HG2 ILE 19 1HG2 ILE 19 -8.173 -2.461 1.638 158 2HG2 ILE 19 2HG2 ILE 19 -6.897 -2.714 2.829 159 3HG2 ILE 19 3HG2 ILE 19 -6.553 -1.830 1.342 160 1HD1 ILE 19 1HD1 ILE 19 -4.501 -2.769 0.845 161 2HD1 ILE 19 2HD1 ILE 19 -4.064 -3.105 2.520 162 3HD1 ILE 19 3HD1 ILE 19 -3.390 -4.086 1.219 163 HA PRO 20 HA PRO 20 -11.939 -4.066 0.396 164 1HB PRO 20 1HB PRO 20 -12.271 -1.606 1.660 165 2HB PRO 20 2HB PRO 20 -12.750 -3.171 2.322 166 1HG PRO 20 1HG PRO 20 -10.289 -1.563 2.847 167 2HG PRO 20 2HG PRO 20 -11.262 -2.528 3.973 168 1HD PRO 20 1HD PRO 20 -8.927 -3.434 3.041 169 2HD PRO 20 2HD PRO 20 -10.307 -4.529 3.272 170 H VAL 21 H VAL 21 -12.209 -3.333 -1.602 171 HA VAL 21 HA VAL 21 -10.418 -1.513 -2.842 172 HB VAL 21 HB VAL 21 -13.093 -1.912 -4.063 173 1HG1 VAL 21 1HG1 VAL 21 -11.201 -0.757 -5.185 174 2HG1 VAL 21 2HG1 VAL 21 -10.310 -2.279 -5.161 175 3HG1 VAL 21 3HG1 VAL 21 -11.812 -2.149 -6.078 176 1HG2 VAL 21 1HG2 VAL 21 -11.234 -4.148 -3.379 177 2HG2 VAL 21 2HG2 VAL 21 -12.995 -4.086 -3.292 178 3HG2 VAL 21 3HG2 VAL 21 -12.193 -4.210 -4.858 179 H ALA 22 H ALA 22 -13.264 -1.099 -0.983 180 HA ALA 22 HA ALA 22 -14.204 1.332 -2.044 181 1HB ALA 22 1HB ALA 22 -15.066 -0.395 -0.115 182 2HB ALA 22 2HB ALA 22 -14.568 1.003 0.840 183 3HB ALA 22 3HB ALA 22 -15.764 1.191 -0.443 184 H LEU 23 H LEU 23 -11.334 0.642 -0.453 185 HA LEU 23 HA LEU 23 -11.063 3.383 0.572 186 1HB LEU 23 1HB LEU 23 -9.113 1.150 1.051 187 2HB LEU 23 2HB LEU 23 -9.343 2.617 1.983 188 HG LEU 23 HG LEU 23 -11.038 0.138 1.958 189 1HD1 LEU 23 1HD1 LEU 23 -9.015 0.571 3.508 190 2HD1 LEU 23 2HD1 LEU 23 -10.099 1.690 4.337 191 3HD1 LEU 23 3HD1 LEU 23 -10.522 -0.018 4.209 192 1HD2 LEU 23 1HD2 LEU 23 -11.814 2.926 2.711 193 2HD2 LEU 23 2HD2 LEU 23 -12.731 1.711 1.820 194 3HD2 LEU 23 3HD2 LEU 23 -12.502 1.542 3.561 195 H LEU 24 H LEU 24 -10.052 1.264 -1.921 196 HA LEU 24 HA LEU 24 -7.558 2.460 -2.550 197 1HB LEU 24 1HB LEU 24 -9.489 0.842 -4.207 198 2HB LEU 24 2HB LEU 24 -7.923 1.369 -4.794 199 HG LEU 24 HG LEU 24 -8.381 -0.453 -2.427 200 1HD1 LEU 24 1HD1 LEU 24 -8.149 -0.940 -5.280 201 2HD1 LEU 24 2HD1 LEU 24 -6.927 -1.801 -4.343 202 3HD1 LEU 24 3HD1 LEU 24 -8.637 -2.029 -3.980 203 1HD2 LEU 24 1HD2 LEU 24 -6.034 0.987 -3.449 204 2HD2 LEU 24 2HD2 LEU 24 -6.353 0.322 -1.846 205 3HD2 LEU 24 3HD2 LEU 24 -5.779 -0.730 -3.139 206 H ILE 25 H ILE 25 -7.088 4.273 -3.631 207 HA ILE 25 HA ILE 25 -9.288 5.661 -5.017 208 HB ILE 25 HB ILE 25 -8.275 7.791 -4.401 209 1HG1 ILE 25 1HG1 ILE 25 -6.361 6.200 -2.683 210 2HG1 ILE 25 2HG1 ILE 25 -5.931 6.883 -4.248 211 1HG2 ILE 25 1HG2 ILE 25 -8.769 5.969 -2.052 212 2HG2 ILE 25 2HG2 ILE 25 -8.756 7.731 -1.984 213 3HG2 ILE 25 3HG2 ILE 25 -9.978 6.894 -2.940 214 1HD1 ILE 25 1HD1 ILE 25 -7.111 8.856 -2.493 215 2HD1 ILE 25 2HD1 ILE 25 -5.675 8.108 -1.796 216 3HD1 ILE 25 3HD1 ILE 25 -5.583 8.889 -3.375 217 H HIS 26 H HIS 26 -5.941 4.695 -5.058 218 HA HIS 26 HA HIS 26 -5.819 5.092 -7.906 219 1HB HIS 26 1HB HIS 26 -4.639 7.039 -6.084 220 2HB HIS 26 2HB HIS 26 -3.452 6.347 -7.185 221 HD1 HIS 26 HD1 HIS 26 -5.215 6.103 -9.710 222 HD2 HIS 26 HD2 HIS 26 -5.057 9.459 -7.267 223 HE1 HIS 26 HE1 HIS 26 -5.953 8.022 -11.156 224 HE2 HIS 26 HE2 HIS 26 -5.760 10.056 -9.682 225 H TYR 27 H TYR 27 -4.279 3.827 -8.885 226 HA TYR 27 HA TYR 27 -2.571 2.224 -7.101 227 1HB TYR 27 1HB TYR 27 -3.044 0.255 -8.296 228 2HB TYR 27 2HB TYR 27 -4.611 1.038 -8.116 229 HD1 TYR 27 HD1 TYR 27 -1.866 0.326 -10.489 230 HD2 TYR 27 HD2 TYR 27 -5.848 1.771 -10.017 231 HE1 TYR 27 HE1 TYR 27 -2.182 0.239 -12.932 232 HE2 TYR 27 HE2 TYR 27 -6.175 1.687 -12.458 233 HH TYR 27 HH TYR 27 -5.073 1.521 -14.461 234 H GLN 28 H GLN 28 -0.526 1.660 -7.873 235 HA GLN 28 HA GLN 28 0.284 2.880 -10.416 236 1HB GLN 28 1HB GLN 28 2.500 3.045 -8.678 237 2HB GLN 28 2HB GLN 28 1.578 4.367 -9.380 238 1HG GLN 28 1HG GLN 28 0.461 3.060 -6.976 239 2HG GLN 28 2HG GLN 28 1.895 4.061 -6.764 240 1HE2 GLN 28 2HE2 GLN 28 -0.911 4.414 -5.889 241 2HE2 GLN 28 1HE2 GLN 28 -1.385 5.962 -6.494 242 H GLN 29 H GLN 29 2.384 2.044 -11.221 243 HA GLN 29 HA GLN 29 2.570 -0.829 -10.661 244 1HB GLN 29 1HB GLN 29 2.135 -0.199 -12.989 245 2HB GLN 29 2HB GLN 29 3.595 0.780 -13.008 246 1HG GLN 29 1HG GLN 29 3.976 -1.324 -14.126 247 2HG GLN 29 2HG GLN 29 4.944 -1.230 -12.656 248 1HE2 GLN 29 2HE2 GLN 29 2.226 -2.740 -14.214 249 2HE2 GLN 29 1HE2 GLN 29 2.047 -4.039 -13.090 250 H ASN 30 H ASN 30 4.538 -1.834 -10.237 251 HA ASN 30 HA ASN 30 6.443 -0.227 -8.827 252 1HB ASN 30 1HB ASN 30 5.878 -2.470 -8.037 253 2HB ASN 30 2HB ASN 30 6.490 -3.168 -9.533 254 1HD2 ASN 30 2HD2 ASN 30 7.441 -1.256 -6.728 255 2HD2 ASN 30 1HD2 ASN 30 9.077 -1.809 -6.682 256 H GLN 31 H GLN 31 8.541 0.263 -9.367 257 HA GLN 31 HA GLN 31 9.157 0.152 -12.209 258 1HB GLN 31 1HB GLN 31 9.954 1.833 -9.929 259 2HB GLN 31 2HB GLN 31 11.251 1.481 -11.063 260 1HG GLN 31 1HG GLN 31 8.702 2.321 -12.267 261 2HG GLN 31 2HG GLN 31 9.541 3.542 -11.312 262 1HE2 GLN 31 2HE2 GLN 31 9.240 4.076 -13.889 263 2HE2 GLN 31 1HE2 GLN 31 10.724 3.892 -14.755 264 H ALA 32 H ALA 32 10.653 -1.127 -13.103 265 HA ALA 32 HA ALA 32 11.726 -3.318 -11.733 266 1HB ALA 32 1HB ALA 32 11.447 -2.660 -14.344 267 2HB ALA 32 2HB ALA 32 13.188 -2.475 -14.139 268 3HB ALA 32 3HB ALA 32 12.414 -4.013 -13.758 269 H SER 33 H SER 33 12.704 -2.316 -9.859 270 HA SER 33 HA SER 33 15.465 -2.236 -9.918 271 1HB SER 33 1HB SER 33 16.142 -0.084 -10.218 272 2HB SER 33 2HB SER 33 14.634 0.038 -11.125 273 HG SER 33 HG SER 33 15.049 1.675 -9.436 274 H CYS 34 H CYS 34 12.526 -1.064 -8.416 275 HA CYS 34 HA CYS 34 13.807 -1.211 -5.776 276 1HB CYS 34 1HB CYS 34 11.032 -0.180 -6.094 277 2HB CYS 34 2HB CYS 34 12.308 0.346 -5.000 278 H GLY 35 H GLY 35 13.502 -2.994 -4.628 279 1HA GLY 35 1HA GLY 35 12.538 -4.885 -3.758 280 2HA GLY 35 2HA GLY 35 10.987 -4.168 -4.164 281 H LYS 36 H LYS 36 9.854 -5.708 -5.160 282 HA LYS 36 HA LYS 36 11.154 -7.145 -7.381 283 1HB LYS 36 1HB LYS 36 8.775 -8.262 -5.943 284 2HB LYS 36 2HB LYS 36 10.019 -9.106 -6.853 285 1HG LYS 36 1HG LYS 36 11.083 -7.726 -4.529 286 2HG LYS 36 2HG LYS 36 9.848 -8.918 -4.119 287 1HD LYS 36 1HD LYS 36 11.609 -10.007 -6.096 288 2HD LYS 36 2HD LYS 36 12.553 -9.376 -4.745 289 1HE LYS 36 1HE LYS 36 12.090 -11.594 -4.156 290 2HE LYS 36 2HE LYS 36 10.927 -10.636 -3.240 291 1HZ LYS 36 1HZ LYS 36 9.836 -11.310 -5.751 292 2HZ LYS 36 2HZ LYS 36 10.395 -12.715 -4.996 293 3HZ LYS 36 3HZ LYS 36 9.277 -11.720 -4.209 294 H ARG 37 H ARG 37 9.467 -8.013 -8.974 295 HA ARG 37 HA ARG 37 8.044 -5.794 -10.032 296 1HB ARG 37 1HB ARG 37 9.022 -8.141 -11.059 297 2HB ARG 37 2HB ARG 37 7.288 -8.440 -11.057 298 1HG ARG 37 1HG ARG 37 6.890 -6.937 -12.688 299 2HG ARG 37 2HG ARG 37 8.145 -5.830 -12.126 300 1HD ARG 37 1HD ARG 37 8.363 -7.243 -14.381 301 2HD ARG 37 2HD ARG 37 9.754 -6.796 -13.396 302 HE ARG 37 HE ARG 37 10.076 -9.008 -12.951 303 1HH1 ARG 37 1HH1 ARG 37 6.784 -8.553 -13.993 304 2HH1 ARG 37 2HH1 ARG 37 6.421 -10.248 -14.014 305 1HH2 ARG 37 1HH2 ARG 37 9.609 -11.240 -12.978 306 2HH2 ARG 37 2HH2 ARG 37 8.026 -11.775 -13.438 307 H ALA 38 H ALA 38 6.574 -5.191 -8.391 308 HA ALA 38 HA ALA 38 4.213 -6.942 -8.230 309 1HB ALA 38 1HB ALA 38 5.567 -6.888 -6.111 310 2HB ALA 38 2HB ALA 38 5.146 -5.181 -5.974 311 3HB ALA 38 3HB ALA 38 3.880 -6.407 -5.942 312 H ILE 39 H ILE 39 2.713 -5.071 -6.661 313 HA ILE 39 HA ILE 39 2.449 -2.791 -8.501 314 HB ILE 39 HB ILE 39 0.234 -4.586 -7.519 315 1HG1 ILE 39 1HG1 ILE 39 1.647 -5.006 -9.680 316 2HG1 ILE 39 2HG1 ILE 39 -0.106 -5.157 -9.746 317 1HG2 ILE 39 1HG2 ILE 39 0.126 -1.802 -8.625 318 2HG2 ILE 39 2HG2 ILE 39 -1.221 -2.924 -8.832 319 3HG2 ILE 39 3HG2 ILE 39 -0.691 -2.469 -7.212 320 1HD1 ILE 39 1HD1 ILE 39 -0.140 -2.761 -10.552 321 2HD1 ILE 39 2HD1 ILE 39 1.606 -2.912 -10.756 322 3HD1 ILE 39 3HD1 ILE 39 0.517 -3.960 -11.664 323 H ILE 40 H ILE 40 1.463 -0.917 -7.608 324 HA ILE 40 HA ILE 40 1.666 -0.799 -4.674 325 HB ILE 40 HB ILE 40 1.773 1.551 -6.560 326 1HG1 ILE 40 1HG1 ILE 40 3.612 -0.169 -6.928 327 2HG1 ILE 40 2HG1 ILE 40 4.146 1.462 -6.531 328 1HG2 ILE 40 1HG2 ILE 40 1.956 1.165 -3.654 329 2HG2 ILE 40 2HG2 ILE 40 3.175 2.234 -4.346 330 3HG2 ILE 40 3HG2 ILE 40 1.462 2.579 -4.586 331 1HD1 ILE 40 1HD1 ILE 40 3.900 0.153 -4.083 332 2HD1 ILE 40 2HD1 ILE 40 4.656 -1.010 -5.170 333 3HD1 ILE 40 3HD1 ILE 40 5.386 0.576 -4.931 334 H LEU 41 H LEU 41 -0.070 -0.261 -3.488 335 HA LEU 41 HA LEU 41 -2.476 0.647 -4.925 336 1HB LEU 41 1HB LEU 41 -2.181 -1.200 -2.567 337 2HB LEU 41 2HB LEU 41 -3.710 -0.444 -2.978 338 HG LEU 41 HG LEU 41 -2.142 -2.371 -4.692 339 1HD1 LEU 41 1HD1 LEU 41 -4.548 -2.583 -2.951 340 2HD1 LEU 41 2HD1 LEU 41 -4.465 -3.559 -4.419 341 3HD1 LEU 41 3HD1 LEU 41 -3.216 -3.716 -3.184 342 1HD2 LEU 41 1HD2 LEU 41 -4.294 -0.472 -5.329 343 2HD2 LEU 41 2HD2 LEU 41 -3.105 -1.241 -6.382 344 3HD2 LEU 41 3HD2 LEU 41 -4.553 -2.123 -5.892 345 H GLU 42 H GLU 42 -3.144 2.614 -4.425 346 HA GLU 42 HA GLU 42 -2.327 3.769 -1.845 347 1HB GLU 42 1HB GLU 42 -1.472 4.870 -3.930 348 2HB GLU 42 2HB GLU 42 -3.136 5.256 -4.344 349 1HG GLU 42 1HG GLU 42 -3.345 6.595 -2.326 350 2HG GLU 42 2HG GLU 42 -1.692 6.182 -1.871 351 H THR 43 H THR 43 -3.867 4.210 -0.393 352 HA THR 43 HA THR 43 -6.665 4.132 -1.298 353 HB THR 43 HB THR 43 -7.286 3.482 0.896 354 HG1 THR 43 HG1 THR 43 -5.646 3.422 2.570 355 1HG2 THR 43 1HG2 THR 43 -4.890 2.092 -0.157 356 2HG2 THR 43 2HG2 THR 43 -5.438 1.692 1.471 357 3HG2 THR 43 3HG2 THR 43 -6.530 1.497 0.100 358 H ARG 44 H ARG 44 -8.194 5.555 -0.125 359 HA ARG 44 HA ARG 44 -7.564 8.238 -0.443 360 1HB ARG 44 1HB ARG 44 -9.636 8.655 0.934 361 2HB ARG 44 2HB ARG 44 -9.851 7.595 -0.451 362 1HG ARG 44 1HG ARG 44 -10.045 5.692 0.884 363 2HG ARG 44 2HG ARG 44 -9.326 6.491 2.283 364 1HD ARG 44 1HD ARG 44 -11.335 7.109 2.994 365 2HD ARG 44 2HD ARG 44 -11.639 7.949 1.475 366 HE ARG 44 HE ARG 44 -12.049 5.171 1.156 367 1HH1 ARG 44 1HH1 ARG 44 -13.485 7.998 2.597 368 2HH1 ARG 44 2HH1 ARG 44 -15.105 7.394 2.484 369 1HH2 ARG 44 1HH2 ARG 44 -14.177 4.364 1.003 370 2HH2 ARG 44 2HH2 ARG 44 -15.497 5.326 1.577 371 H GLN 45 H GLN 45 -6.717 6.148 2.104 372 HA GLN 45 HA GLN 45 -6.227 8.396 3.928 373 1HB GLN 45 1HB GLN 45 -7.176 5.766 4.347 374 2HB GLN 45 2HB GLN 45 -5.579 5.844 5.078 375 1HG GLN 45 1HG GLN 45 -6.957 6.475 6.812 376 2HG GLN 45 2HG GLN 45 -6.438 8.028 6.157 377 1HE2 GLN 45 2HE2 GLN 45 -9.010 5.622 5.719 378 2HE2 GLN 45 1HE2 GLN 45 -10.285 6.770 5.521 379 H HIS 46 H HIS 46 -4.608 8.016 1.614 380 HA HIS 46 HA HIS 46 -2.440 7.825 0.935 381 1HB HIS 46 1HB HIS 46 -1.998 8.642 3.813 382 2HB HIS 46 2HB HIS 46 -0.772 8.700 2.551 383 HD1 HIS 46 HD1 HIS 46 -1.709 10.221 0.354 384 HD2 HIS 46 HD2 HIS 46 -3.180 11.033 4.154 385 HE1 HIS 46 HE1 HIS 46 -2.629 12.557 0.232 386 HE2 HIS 46 HE2 HIS 46 -3.409 13.068 2.572 387 H ARG 47 H ARG 47 -3.406 5.357 1.353 388 HA ARG 47 HA ARG 47 -1.385 3.955 2.963 389 1HB ARG 47 1HB ARG 47 -3.820 3.499 3.391 390 2HB ARG 47 2HB ARG 47 -3.912 2.813 1.774 391 1HG ARG 47 1HG ARG 47 -1.740 1.563 2.994 392 2HG ARG 47 2HG ARG 47 -3.016 1.607 4.212 393 1HD ARG 47 1HD ARG 47 -3.790 0.816 1.464 394 2HD ARG 47 2HD ARG 47 -2.816 -0.332 2.382 395 HE ARG 47 HE ARG 47 -5.558 0.425 2.887 396 1HH1 ARG 47 1HH1 ARG 47 -2.661 -1.030 4.161 397 2HH1 ARG 47 2HH1 ARG 47 -3.494 -1.921 5.390 398 1HH2 ARG 47 1HH2 ARG 47 -6.665 -0.742 4.503 399 2HH2 ARG 47 2HH2 ARG 47 -5.771 -1.758 5.585 400 H LEU 48 H LEU 48 0.366 3.634 1.721 401 HA LEU 48 HA LEU 48 -0.027 2.561 -0.991 402 1HB LEU 48 1HB LEU 48 2.389 3.884 0.243 403 2HB LEU 48 2HB LEU 48 2.320 3.245 -1.388 404 HG LEU 48 HG LEU 48 0.539 5.464 -0.386 405 1HD1 LEU 48 1HD1 LEU 48 3.204 5.725 -0.657 406 2HD1 LEU 48 2HD1 LEU 48 2.689 6.046 -2.313 407 3HD1 LEU 48 3HD1 LEU 48 2.052 7.020 -0.987 408 1HD2 LEU 48 1HD2 LEU 48 -0.295 4.128 -2.299 409 2HD2 LEU 48 2HD2 LEU 48 0.029 5.812 -2.712 410 3HD2 LEU 48 3HD2 LEU 48 1.167 4.552 -3.190 411 H PHE 49 H PHE 49 -0.114 0.393 -0.816 412 HA PHE 49 HA PHE 49 2.029 -0.939 0.708 413 1HB PHE 49 1HB PHE 49 -0.844 -1.674 0.244 414 2HB PHE 49 2HB PHE 49 0.343 -2.928 0.583 415 HD1 PHE 49 HD1 PHE 49 -0.430 0.473 1.932 416 HD2 PHE 49 HD2 PHE 49 0.341 -3.639 2.759 417 HE1 PHE 49 HE1 PHE 49 -0.656 0.921 4.344 418 HE2 PHE 49 HE2 PHE 49 0.117 -3.198 5.174 419 HZ PHE 49 HZ PHE 49 -0.381 -0.917 5.970 420 H CYS 50 H CYS 50 2.711 -3.057 -0.167 421 HA CYS 50 HA CYS 50 2.821 -2.939 -3.101 422 1HB CYS 50 1HB CYS 50 4.726 -3.834 -0.997 423 2HB CYS 50 2HB CYS 50 4.758 -4.691 -2.534 424 H ALA 51 H ALA 51 1.075 -4.090 -3.770 425 HA ALA 51 HA ALA 51 0.720 -6.803 -2.695 426 1HB ALA 51 1HB ALA 51 -1.176 -4.992 -4.179 427 2HB ALA 51 2HB ALA 51 -1.528 -6.677 -3.795 428 3HB ALA 51 3HB ALA 51 -1.276 -5.512 -2.496 429 H ASP 52 H ASP 52 1.180 -8.522 -3.911 430 HA ASP 52 HA ASP 52 2.443 -8.264 -6.421 431 1HB ASP 52 1HB ASP 52 1.931 -10.350 -4.531 432 2HB ASP 52 2HB ASP 52 1.481 -10.921 -6.135 433 HA PRO 53 HA PRO 53 -1.040 -8.004 -9.130 434 1HB PRO 53 1HB PRO 53 0.180 -8.806 -11.424 435 2HB PRO 53 2HB PRO 53 0.391 -7.198 -10.722 436 1HG PRO 53 1HG PRO 53 2.160 -9.601 -10.522 437 2HG PRO 53 2HG PRO 53 2.603 -7.908 -10.799 438 1HD PRO 53 1HD PRO 53 2.837 -9.071 -8.379 439 2HD PRO 53 2HD PRO 53 2.403 -7.358 -8.564 440 H LYS 54 H LYS 54 0.444 -10.857 -8.176 441 HA LYS 54 HA LYS 54 -0.970 -12.643 -9.940 442 1HB LYS 54 1HB LYS 54 0.535 -13.232 -7.386 443 2HB LYS 54 2HB LYS 54 -0.020 -14.425 -8.552 444 1HG LYS 54 1HG LYS 54 1.562 -12.447 -9.884 445 2HG LYS 54 2HG LYS 54 2.442 -13.083 -8.492 446 1HD LYS 54 1HD LYS 54 2.924 -14.919 -9.650 447 2HD LYS 54 2HD LYS 54 1.200 -15.272 -9.792 448 1HE LYS 54 1HE LYS 54 1.328 -13.484 -11.717 449 2HE LYS 54 2HE LYS 54 3.034 -13.930 -11.721 450 1HZ LYS 54 1HZ LYS 54 0.957 -16.017 -11.819 451 2HZ LYS 54 2HZ LYS 54 1.405 -15.200 -13.230 452 3HZ LYS 54 3HZ LYS 54 2.559 -16.080 -12.361 453 H GLU 55 H GLU 55 -1.567 -11.105 -6.907 454 HA GLU 55 HA GLU 55 -3.555 -12.951 -5.989 455 1HB GLU 55 1HB GLU 55 -3.284 -10.078 -5.124 456 2HB GLU 55 2HB GLU 55 -3.935 -11.430 -4.208 457 1HG GLU 55 1HG GLU 55 -1.933 -12.010 -3.437 458 2HG GLU 55 2HG GLU 55 -1.183 -11.862 -5.026 459 H GLN 56 H GLN 56 -5.711 -12.953 -6.314 460 HA GLN 56 HA GLN 56 -6.808 -11.648 -8.536 461 1HB GLN 56 1HB GLN 56 -7.612 -13.783 -7.394 462 2HB GLN 56 2HB GLN 56 -8.428 -12.735 -6.242 463 1HG GLN 56 1HG GLN 56 -8.936 -12.997 -9.190 464 2HG GLN 56 2HG GLN 56 -10.032 -13.355 -7.857 465 1HE2 GLN 56 2HE2 GLN 56 -8.786 -10.950 -9.952 466 2HE2 GLN 56 1HE2 GLN 56 -9.737 -9.626 -9.374 467 H TRP 57 H TRP 57 -7.201 -10.963 -5.061 468 HA TRP 57 HA TRP 57 -9.041 -8.921 -5.215 469 1HB TRP 57 1HB TRP 57 -8.456 -8.355 -3.043 470 2HB TRP 57 2HB TRP 57 -7.886 -10.016 -3.154 471 HD1 TRP 57 HD1 TRP 57 -5.203 -10.372 -3.340 472 HE1 TRP 57 HE1 TRP 57 -3.255 -8.892 -2.541 473 HE3 TRP 57 HE3 TRP 57 -7.733 -5.969 -2.722 474 HZ2 TRP 57 HZ2 TRP 57 -2.845 -6.208 -1.749 475 HZ3 TRP 57 HZ3 TRP 57 -6.493 -3.990 -1.936 476 HH2 TRP 57 HH2 TRP 57 -4.096 -4.109 -1.460 477 H VAL 58 H VAL 58 -5.802 -8.925 -6.342 478 HA VAL 58 HA VAL 58 -5.595 -6.026 -6.405 479 HB VAL 58 HB VAL 58 -3.731 -8.190 -7.385 480 1HG1 VAL 58 1HG1 VAL 58 -3.874 -5.478 -8.197 481 2HG1 VAL 58 2HG1 VAL 58 -2.445 -5.664 -7.180 482 3HG1 VAL 58 3HG1 VAL 58 -2.652 -6.684 -8.605 483 1HG2 VAL 58 1HG2 VAL 58 -3.894 -7.974 -4.950 484 2HG2 VAL 58 2HG2 VAL 58 -2.310 -7.469 -5.540 485 3HG2 VAL 58 3HG2 VAL 58 -3.506 -6.258 -5.078 486 H LYS 59 H LYS 59 -6.103 -8.726 -8.609 487 HA LYS 59 HA LYS 59 -5.978 -7.206 -11.007 488 1HB LYS 59 1HB LYS 59 -7.596 -9.721 -10.698 489 2HB LYS 59 2HB LYS 59 -6.719 -9.149 -12.109 490 1HG LYS 59 1HG LYS 59 -4.602 -9.514 -10.768 491 2HG LYS 59 2HG LYS 59 -5.615 -10.388 -9.619 492 1HD LYS 59 1HD LYS 59 -5.718 -12.184 -10.921 493 2HD LYS 59 2HD LYS 59 -6.112 -11.216 -12.338 494 1HE LYS 59 1HE LYS 59 -4.012 -11.268 -13.097 495 2HE LYS 59 2HE LYS 59 -3.345 -10.919 -11.504 496 1HZ LYS 59 1HZ LYS 59 -4.344 -13.599 -12.272 497 2HZ LYS 59 2HZ LYS 59 -2.733 -13.128 -12.480 498 3HZ LYS 59 3HZ LYS 59 -3.403 -13.191 -10.927 499 H ASP 60 H ASP 60 -8.615 -8.252 -8.897 500 HA ASP 60 HA ASP 60 -10.663 -7.055 -10.504 501 1HB ASP 60 1HB ASP 60 -10.522 -8.599 -8.015 502 2HB ASP 60 2HB ASP 60 -11.765 -7.352 -7.996 503 H ALA 61 H ALA 61 -8.923 -6.198 -7.547 504 HA ALA 61 HA ALA 61 -10.320 -3.933 -6.833 505 1HB ALA 61 1HB ALA 61 -7.399 -4.595 -6.558 506 2HB ALA 61 2HB ALA 61 -8.121 -3.147 -5.855 507 3HB ALA 61 3HB ALA 61 -8.670 -4.743 -5.344 508 H MET 62 H MET 62 -7.652 -4.263 -9.136 509 HA MET 62 HA MET 62 -7.539 -1.493 -9.788 510 1HB MET 62 1HB MET 62 -6.444 -3.976 -11.091 511 2HB MET 62 2HB MET 62 -6.254 -2.391 -11.826 512 1HG MET 62 1HG MET 62 -5.346 -1.814 -9.394 513 2HG MET 62 2HG MET 62 -4.976 -3.539 -9.419 514 1HE MET 62 1HE MET 62 -4.542 -4.294 -12.050 515 2HE MET 62 2HE MET 62 -3.195 -3.609 -12.962 516 3HE MET 62 3HE MET 62 -2.888 -4.530 -11.489 517 H GLN 63 H GLN 63 -8.823 -4.324 -11.532 518 HA GLN 63 HA GLN 63 -9.830 -3.135 -13.770 519 1HB GLN 63 1HB GLN 63 -10.296 -5.564 -12.348 520 2HB GLN 63 2HB GLN 63 -11.856 -4.904 -12.816 521 1HG GLN 63 1HG GLN 63 -10.128 -4.679 -15.045 522 2HG GLN 63 2HG GLN 63 -9.967 -6.311 -14.397 523 1HE2 GLN 63 2HE2 GLN 63 -11.163 -7.611 -15.586 524 2HE2 GLN 63 1HE2 GLN 63 -12.795 -7.324 -16.078 525 H HIS 64 H HIS 64 -10.994 -2.896 -10.502 526 HA HIS 64 HA HIS 64 -13.500 -1.686 -11.170 527 1HB HIS 64 1HB HIS 64 -13.533 -2.763 -9.094 528 2HB HIS 64 2HB HIS 64 -11.969 -2.107 -8.623 529 HD1 HIS 64 HD1 HIS 64 -15.577 -1.054 -9.010 530 HD2 HIS 64 HD2 HIS 64 -12.068 0.231 -7.194 531 HE1 HIS 64 HE1 HIS 64 -16.246 0.884 -7.554 532 HE2 HIS 64 HE2 HIS 64 -14.090 1.706 -6.541 533 H LEU 65 H LEU 65 -10.519 -0.449 -9.668 534 HA LEU 65 HA LEU 65 -11.225 2.245 -9.642 535 1HB LEU 65 1HB LEU 65 -8.533 0.906 -9.838 536 2HB LEU 65 2HB LEU 65 -8.724 2.637 -9.648 537 HG LEU 65 HG LEU 65 -9.734 0.574 -7.691 538 1HD1 LEU 65 1HD1 LEU 65 -7.117 1.714 -8.082 539 2HD1 LEU 65 2HD1 LEU 65 -7.771 2.151 -6.503 540 3HD1 LEU 65 3HD1 LEU 65 -7.640 0.454 -6.966 541 1HD2 LEU 65 1HD2 LEU 65 -10.696 3.069 -8.035 542 2HD2 LEU 65 2HD2 LEU 65 -10.637 2.245 -6.478 543 3HD2 LEU 65 3HD2 LEU 65 -9.372 3.392 -6.916 544 H ASP 66 H ASP 66 -10.125 0.225 -12.239 545 HA ASP 66 HA ASP 66 -9.300 2.314 -13.991 546 1HB ASP 66 1HB ASP 66 -9.888 -0.606 -14.293 547 2HB ASP 66 2HB ASP 66 -9.740 0.392 -15.736 548 H ARG 67 H ARG 67 -12.212 0.252 -13.941 549 HA ARG 67 HA ARG 67 -13.670 1.169 -15.990 550 1HB ARG 67 1HB ARG 67 -14.263 -0.035 -13.484 551 2HB ARG 67 2HB ARG 67 -15.439 1.246 -13.746 552 1HG ARG 67 1HG ARG 67 -16.467 -0.573 -14.711 553 2HG ARG 67 2HG ARG 67 -15.692 0.192 -16.099 554 1HD ARG 67 1HD ARG 67 -13.763 -1.364 -15.776 555 2HD ARG 67 2HD ARG 67 -14.713 -2.198 -14.549 556 HE ARG 67 HE ARG 67 -15.830 -3.251 -16.230 557 1HH1 ARG 67 1HH1 ARG 67 -14.432 -0.325 -17.498 558 2HH1 ARG 67 2HH1 ARG 67 -14.918 -0.645 -19.130 559 1HH2 ARG 67 1HH2 ARG 67 -16.477 -3.684 -18.375 560 2HH2 ARG 67 2HH2 ARG 67 -16.082 -2.555 -19.628 561 H GLN 68 H GLN 68 -13.967 2.726 -12.791 562 HA GLN 68 HA GLN 68 -15.423 4.926 -13.491 563 1HB GLN 68 1HB GLN 68 -13.151 4.769 -11.504 564 2HB GLN 68 2HB GLN 68 -14.291 6.104 -11.598 565 1HG GLN 68 1HG GLN 68 -15.884 4.979 -10.517 566 2HG GLN 68 2HG GLN 68 -15.563 3.485 -11.397 567 1HE2 GLN 68 2HE2 GLN 68 -14.110 2.009 -10.573 568 2HE2 GLN 68 1HE2 GLN 68 -13.514 2.091 -8.954 569 H ALA 69 H ALA 69 -11.925 5.272 -12.958 570 HA ALA 69 HA ALA 69 -11.550 7.657 -14.237 571 1HB ALA 69 1HB ALA 69 -9.869 5.483 -13.367 572 2HB ALA 69 2HB ALA 69 -9.247 6.209 -14.849 573 3HB ALA 69 3HB ALA 69 -9.529 7.213 -13.427 574 H ALA 70 H ALA 70 -11.399 4.428 -15.712 575 HA ALA 70 HA ALA 70 -10.651 5.144 -18.280 576 1HB ALA 70 1HB ALA 70 -12.267 2.881 -17.184 577 2HB ALA 70 2HB ALA 70 -12.068 3.066 -18.926 578 3HB ALA 70 3HB ALA 70 -10.652 2.866 -17.894 579 H ALA 71 H ALA 71 -13.793 5.342 -16.735 580 HA ALA 71 HA ALA 71 -15.408 5.683 -18.972 581 1HB ALA 71 1HB ALA 71 -15.955 5.498 -16.401 582 2HB ALA 71 2HB ALA 71 -16.004 7.258 -16.523 583 3HB ALA 71 3HB ALA 71 -17.072 6.273 -17.523 584 H LEU 72 H LEU 72 -12.983 7.703 -17.743 585 HA LEU 72 HA LEU 72 -14.080 10.159 -18.828 586 1HB LEU 72 1HB LEU 72 -11.933 9.422 -17.026 587 2HB LEU 72 2HB LEU 72 -11.390 10.579 -18.225 588 HG LEU 72 HG LEU 72 -12.173 11.645 -16.136 589 1HD1 LEU 72 1HD1 LEU 72 -13.142 12.219 -18.821 590 2HD1 LEU 72 2HD1 LEU 72 -14.155 12.911 -17.554 591 3HD1 LEU 72 3HD1 LEU 72 -12.435 13.295 -17.615 592 1HD2 LEU 72 1HD2 LEU 72 -14.662 10.155 -16.829 593 2HD2 LEU 72 2HD2 LEU 72 -13.878 10.373 -15.264 594 3HD2 LEU 72 3HD2 LEU 72 -14.779 11.703 -15.992 595 H THR 73 H THR 73 -11.891 7.633 -19.764 596 HA THR 73 HA THR 73 -11.908 8.298 -22.470 597 HB THR 73 HB THR 73 -10.478 10.031 -22.531 598 HG1 THR 73 HG1 THR 73 -8.443 9.408 -22.863 599 1HG2 THR 73 1HG2 THR 73 -9.824 9.269 -19.734 600 2HG2 THR 73 2HG2 THR 73 -8.732 10.340 -20.614 601 3HG2 THR 73 3HG2 THR 73 -10.420 10.798 -20.383 602 H ARG 74 H ARG 74 -9.413 7.204 -20.160 603 HA ARG 74 HA ARG 74 -9.689 4.476 -20.667 604 1HB ARG 74 1HB ARG 74 -8.730 5.558 -22.915 605 2HB ARG 74 2HB ARG 74 -7.211 5.353 -22.055 606 1HG ARG 74 1HG ARG 74 -7.363 3.385 -23.229 607 2HG ARG 74 2HG ARG 74 -8.058 2.927 -21.672 608 1HD ARG 74 1HD ARG 74 -10.196 3.925 -23.160 609 2HD ARG 74 2HD ARG 74 -9.265 2.949 -24.294 610 HE ARG 74 HE ARG 74 -9.645 1.568 -21.847 611 1HH1 ARG 74 1HH1 ARG 74 -11.290 2.516 -24.765 612 2HH1 ARG 74 2HH1 ARG 74 -12.406 1.192 -24.721 613 1HH2 ARG 74 1HH2 ARG 74 -11.109 -0.180 -21.779 614 2HH2 ARG 74 2HH2 ARG 74 -12.302 -0.341 -23.023 615 H ASN 75 H ASN 75 -8.835 3.549 -18.929 616 HA ASN 75 HA ASN 75 -6.409 4.736 -17.753 617 1HB ASN 75 1HB ASN 75 -8.520 5.223 -16.452 618 2HB ASN 75 2HB ASN 75 -8.651 3.492 -16.158 619 1HD2 ASN 75 2HD2 ASN 75 -8.543 4.101 -13.912 620 2HD2 ASN 75 1HD2 ASN 75 -7.002 4.363 -13.175 621 H GLY 76 H GLY 76 -7.247 2.268 -19.489 622 1HA GLY 76 1HA GLY 76 -5.200 0.584 -19.054 623 2HA GLY 76 2HA GLY 76 -6.344 0.072 -17.822 Start of MODEL 8 1 2H MET 0 2H MET 0 20.684 8.584 -3.360 2 3H MET 0 3H MET 0 20.091 6.985 -3.537 3 1H MET 0 1H MET 0 19.900 7.808 -2.044 4 HA MET 0 HA MET 0 21.768 6.063 -2.441 5 1HB MET 0 1HB MET 0 22.466 7.779 -4.352 6 2HB MET 0 2HB MET 0 23.294 8.563 -3.013 7 1HG MET 0 1HG MET 0 23.784 5.714 -3.055 8 2HG MET 0 2HG MET 0 24.244 6.485 -4.572 9 1HE MET 0 1HE MET 0 25.471 8.404 -4.836 10 2HE MET 0 2HE MET 0 26.099 9.434 -3.549 11 3HE MET 0 3HE MET 0 27.134 8.208 -4.281 12 H GLN 1 H GLN 1 21.856 9.509 -1.518 13 HA GLN 1 HA GLN 1 22.646 10.504 0.401 14 1HB GLN 1 1HB GLN 1 20.311 8.937 0.862 15 2HB GLN 1 2HB GLN 1 21.321 8.836 2.297 16 1HG GLN 1 1HG GLN 1 19.915 10.661 2.671 17 2HG GLN 1 2HG GLN 1 21.459 11.369 2.195 18 1HE2 GLN 1 2HE2 GLN 1 21.462 12.793 0.597 19 2HE2 GLN 1 1HE2 GLN 1 20.152 13.089 -0.493 20 H HIS 2 H HIS 2 24.627 8.901 -0.425 21 HA HIS 2 HA HIS 2 26.392 7.577 0.186 22 1HB HIS 2 1HB HIS 2 25.915 9.123 2.742 23 2HB HIS 2 2HB HIS 2 27.384 8.224 2.374 24 HD1 HIS 2 HD1 HIS 2 28.981 9.231 0.599 25 HD2 HIS 2 HD2 HIS 2 25.654 11.577 1.433 26 HE1 HIS 2 HE1 HIS 2 29.469 11.477 -0.420 27 HE2 HIS 2 HE2 HIS 2 27.483 12.906 0.178 28 H HIS 3 H HIS 3 24.724 5.756 0.068 29 HA HIS 3 HA HIS 3 25.252 3.890 2.069 30 1HB HIS 3 1HB HIS 3 22.875 5.578 2.535 31 2HB HIS 3 2HB HIS 3 22.608 3.843 2.694 32 HD1 HIS 3 HD1 HIS 3 25.013 2.857 4.127 33 HD2 HIS 3 HD2 HIS 3 23.249 6.506 5.038 34 HE1 HIS 3 HE1 HIS 3 25.731 3.381 6.480 35 HE2 HIS 3 HE2 HIS 3 24.701 5.623 6.989 36 H GLY 4 H GLY 4 25.628 2.721 0.145 37 1HA GLY 4 1HA GLY 4 24.995 1.001 -1.270 38 2HA GLY 4 2HA GLY 4 23.329 1.249 -0.766 39 H VAL 5 H VAL 5 23.062 0.793 -3.143 40 HA VAL 5 HA VAL 5 23.235 3.325 -4.643 41 HB VAL 5 HB VAL 5 24.805 1.785 -5.630 42 1HG1 VAL 5 1HG1 VAL 5 23.797 -0.286 -4.739 43 2HG1 VAL 5 2HG1 VAL 5 22.513 -0.149 -5.940 44 3HG1 VAL 5 3HG1 VAL 5 24.181 -0.398 -6.456 45 1HG2 VAL 5 1HG2 VAL 5 22.630 2.935 -6.997 46 2HG2 VAL 5 2HG2 VAL 5 24.221 2.528 -7.638 47 3HG2 VAL 5 3HG2 VAL 5 22.908 1.353 -7.728 48 H THR 6 H THR 6 21.038 2.967 -3.160 49 HA THR 6 HA THR 6 18.989 2.318 -5.163 50 HB THR 6 HB THR 6 17.871 1.807 -2.619 51 HG1 THR 6 HG1 THR 6 19.243 0.400 -1.692 52 1HG2 THR 6 1HG2 THR 6 18.062 0.528 -5.122 53 2HG2 THR 6 2HG2 THR 6 18.561 -0.637 -3.894 54 3HG2 THR 6 3HG2 THR 6 16.988 0.151 -3.775 55 H LYS 7 H LYS 7 16.779 3.203 -4.364 56 HA LYS 7 HA LYS 7 16.538 5.295 -2.578 57 1HB LYS 7 1HB LYS 7 16.615 7.271 -4.068 58 2HB LYS 7 2HB LYS 7 18.185 6.504 -3.873 59 1HG LYS 7 1HG LYS 7 18.301 5.869 -6.040 60 2HG LYS 7 2HG LYS 7 16.560 5.624 -6.178 61 1HD LYS 7 1HD LYS 7 16.986 8.381 -5.720 62 2HD LYS 7 2HD LYS 7 18.124 7.877 -6.971 63 1HE LYS 7 1HE LYS 7 16.206 8.485 -8.158 64 2HE LYS 7 2HE LYS 7 16.115 6.727 -8.069 65 1HZ LYS 7 1HZ LYS 7 14.817 7.595 -5.825 66 2HZ LYS 7 2HZ LYS 7 14.325 8.688 -7.021 67 3HZ LYS 7 3HZ LYS 7 14.090 7.028 -7.243 68 H CYS 8 H CYS 8 14.909 3.262 -3.290 69 HA CYS 8 HA CYS 8 12.834 4.364 -5.029 70 1HB CYS 8 1HB CYS 8 13.492 1.651 -3.989 71 2HB CYS 8 2HB CYS 8 11.807 2.000 -4.359 72 H ASN 9 H ASN 9 11.568 5.786 -3.999 73 HA ASN 9 HA ASN 9 11.073 6.246 -1.414 74 1HB ASN 9 1HB ASN 9 8.992 7.238 -1.998 75 2HB ASN 9 2HB ASN 9 10.021 7.401 -3.418 76 1HD2 ASN 9 2HD2 ASN 9 9.830 5.465 -4.952 77 2HD2 ASN 9 1HD2 ASN 9 8.220 4.942 -5.298 78 H ILE 10 H ILE 10 9.558 3.674 -3.301 79 HA ILE 10 HA ILE 10 8.790 2.374 -0.780 80 HB ILE 10 HB ILE 10 6.777 3.420 -1.708 81 1HG1 ILE 10 1HG1 ILE 10 6.387 0.514 -2.239 82 2HG1 ILE 10 2HG1 ILE 10 6.974 0.990 -0.648 83 1HG2 ILE 10 1HG2 ILE 10 7.419 3.416 -4.065 84 2HG2 ILE 10 2HG2 ILE 10 7.275 1.660 -4.106 85 3HG2 ILE 10 3HG2 ILE 10 5.846 2.654 -3.832 86 1HD1 ILE 10 1HD1 ILE 10 4.494 2.108 -1.911 87 2HD1 ILE 10 2HD1 ILE 10 4.510 0.722 -0.822 88 3HD1 ILE 10 3HD1 ILE 10 5.042 2.302 -0.245 89 H THR 11 H THR 11 9.639 0.409 -0.663 90 HA THR 11 HA THR 11 10.401 -0.950 -3.154 91 HB THR 11 HB THR 11 12.207 -0.486 -1.513 92 HG1 THR 11 HG1 THR 11 13.127 -2.343 -1.964 93 1HG2 THR 11 1HG2 THR 11 10.884 -0.762 0.553 94 2HG2 THR 11 2HG2 THR 11 10.823 -2.498 0.242 95 3HG2 THR 11 3HG2 THR 11 12.373 -1.709 0.540 96 H CYS 12 H CYS 12 9.568 -2.891 -3.691 97 HA CYS 12 HA CYS 12 7.378 -3.891 -2.052 98 1HB CYS 12 1HB CYS 12 8.283 -4.656 -4.835 99 2HB CYS 12 2HB CYS 12 6.856 -5.294 -4.026 100 H SER 13 H SER 13 9.499 -4.417 -0.630 101 HA SER 13 HA SER 13 10.793 -6.889 -1.281 102 1HB SER 13 1HB SER 13 11.637 -4.953 0.244 103 2HB SER 13 2HB SER 13 10.681 -5.744 1.496 104 HG SER 13 HG SER 13 12.339 -7.002 1.720 105 H LYS 14 H LYS 14 8.014 -5.924 0.618 106 HA LYS 14 HA LYS 14 7.400 -8.768 1.055 107 1HB LYS 14 1HB LYS 14 8.086 -7.868 3.186 108 2HB LYS 14 2HB LYS 14 7.023 -6.484 2.994 109 1HG LYS 14 1HG LYS 14 6.064 -8.051 4.551 110 2HG LYS 14 2HG LYS 14 5.079 -7.983 3.088 111 1HD LYS 14 1HD LYS 14 5.207 -10.223 3.153 112 2HD LYS 14 2HD LYS 14 6.822 -9.982 2.481 113 1HE LYS 14 1HE LYS 14 7.091 -11.441 4.320 114 2HE LYS 14 2HE LYS 14 7.659 -9.861 4.860 115 1HZ LYS 14 1HZ LYS 14 4.855 -10.405 5.347 116 2HZ LYS 14 2HZ LYS 14 5.933 -11.371 6.222 117 3HZ LYS 14 3HZ LYS 14 6.008 -9.687 6.351 118 H MET 15 H MET 15 5.137 -9.281 1.179 119 HA MET 15 HA MET 15 3.506 -7.411 -0.390 120 1HB MET 15 1HB MET 15 3.072 -10.358 0.128 121 2HB MET 15 2HB MET 15 2.115 -9.344 -0.942 122 1HG MET 15 1HG MET 15 5.052 -9.878 -1.306 123 2HG MET 15 2HG MET 15 3.769 -10.793 -2.095 124 1HE MET 15 1HE MET 15 6.144 -9.401 -3.587 125 2HE MET 15 2HE MET 15 5.833 -7.801 -4.262 126 3HE MET 15 3HE MET 15 6.229 -7.975 -2.552 127 H THR 16 H THR 16 1.192 -7.276 0.126 128 HA THR 16 HA THR 16 0.782 -7.322 3.039 129 HB THR 16 HB THR 16 0.651 -5.142 1.636 130 HG1 THR 16 HG1 THR 16 -0.017 -4.997 3.692 131 1HG2 THR 16 1HG2 THR 16 -1.019 -6.307 0.019 132 2HG2 THR 16 2HG2 THR 16 -2.204 -5.889 1.255 133 3HG2 THR 16 3HG2 THR 16 -1.256 -4.621 0.479 134 H SER 17 H SER 17 -1.933 -7.087 3.175 135 HA SER 17 HA SER 17 -2.807 -9.705 2.167 136 1HB SER 17 1HB SER 17 -4.691 -9.108 3.992 137 2HB SER 17 2HB SER 17 -3.175 -9.904 4.412 138 HG SER 17 HG SER 17 -4.078 -7.410 5.063 139 H LYS 18 H LYS 18 -5.429 -9.654 2.176 140 HA LYS 18 HA LYS 18 -6.092 -8.032 -0.074 141 1HB LYS 18 1HB LYS 18 -7.097 -10.178 0.020 142 2HB LYS 18 2HB LYS 18 -7.683 -9.915 1.657 143 1HG LYS 18 1HG LYS 18 -9.459 -8.648 0.968 144 2HG LYS 18 2HG LYS 18 -8.647 -8.116 -0.505 145 1HD LYS 18 1HD LYS 18 -9.287 -9.945 -1.684 146 2HD LYS 18 2HD LYS 18 -9.209 -11.009 -0.280 147 1HE LYS 18 1HE LYS 18 -11.271 -9.531 0.486 148 2HE LYS 18 2HE LYS 18 -11.436 -9.305 -1.255 149 1HZ LYS 18 1HZ LYS 18 -11.184 -11.883 -1.267 150 2HZ LYS 18 2HZ LYS 18 -11.711 -11.757 0.335 151 3HZ LYS 18 3HZ LYS 18 -12.682 -11.177 -0.923 152 H ILE 19 H ILE 19 -7.274 -6.199 -0.206 153 HA ILE 19 HA ILE 19 -8.448 -5.111 2.260 154 HB ILE 19 HB ILE 19 -6.950 -3.358 0.329 155 1HG1 ILE 19 1HG1 ILE 19 -5.832 -4.389 2.935 156 2HG1 ILE 19 2HG1 ILE 19 -5.473 -5.144 1.384 157 1HG2 ILE 19 1HG2 ILE 19 -8.650 -2.376 1.865 158 2HG2 ILE 19 2HG2 ILE 19 -7.667 -2.930 3.222 159 3HG2 ILE 19 3HG2 ILE 19 -7.019 -1.743 2.090 160 1HD1 ILE 19 1HD1 ILE 19 -4.608 -2.923 0.617 161 2HD1 ILE 19 2HD1 ILE 19 -4.768 -2.370 2.283 162 3HD1 ILE 19 3HD1 ILE 19 -3.676 -3.699 1.897 163 HA PRO 20 HA PRO 20 -12.089 -4.457 -0.146 164 1HB PRO 20 1HB PRO 20 -12.803 -2.023 1.040 165 2HB PRO 20 2HB PRO 20 -13.274 -3.628 1.605 166 1HG PRO 20 1HG PRO 20 -11.058 -1.861 2.542 167 2HG PRO 20 2HG PRO 20 -12.114 -2.934 3.480 168 1HD PRO 20 1HD PRO 20 -9.601 -3.632 2.931 169 2HD PRO 20 2HD PRO 20 -10.906 -4.836 2.892 170 H VAL 21 H VAL 21 -12.344 -3.622 -2.118 171 HA VAL 21 HA VAL 21 -10.485 -1.864 -3.280 172 HB VAL 21 HB VAL 21 -13.196 -1.994 -4.488 173 1HG1 VAL 21 1HG1 VAL 21 -10.354 -2.048 -5.400 174 2HG1 VAL 21 2HG1 VAL 21 -11.626 -2.655 -6.459 175 3HG1 VAL 21 3HG1 VAL 21 -11.673 -0.986 -5.893 176 1HG2 VAL 21 1HG2 VAL 21 -11.600 -4.378 -3.773 177 2HG2 VAL 21 2HG2 VAL 21 -13.341 -4.197 -3.984 178 3HG2 VAL 21 3HG2 VAL 21 -12.290 -4.333 -5.394 179 H ALA 22 H ALA 22 -13.342 -1.297 -1.454 180 HA ALA 22 HA ALA 22 -13.911 1.320 -2.399 181 1HB ALA 22 1HB ALA 22 -14.769 -0.319 -0.064 182 2HB ALA 22 2HB ALA 22 -15.106 1.414 -0.068 183 3HB ALA 22 3HB ALA 22 -15.734 0.389 -1.360 184 H LEU 23 H LEU 23 -11.297 0.186 -0.725 185 HA LEU 23 HA LEU 23 -10.927 2.676 0.791 186 1HB LEU 23 1HB LEU 23 -9.739 -0.068 1.022 187 2HB LEU 23 2HB LEU 23 -8.926 1.317 1.727 188 HG LEU 23 HG LEU 23 -10.534 -0.143 3.178 189 1HD1 LEU 23 1HD1 LEU 23 -9.430 2.255 3.517 190 2HD1 LEU 23 2HD1 LEU 23 -11.124 2.741 3.493 191 3HD1 LEU 23 3HD1 LEU 23 -10.562 1.560 4.676 192 1HD2 LEU 23 1HD2 LEU 23 -12.460 1.690 1.759 193 2HD2 LEU 23 2HD2 LEU 23 -12.450 -0.072 1.714 194 3HD2 LEU 23 3HD2 LEU 23 -12.826 0.770 3.219 195 H LEU 24 H LEU 24 -10.175 1.378 -2.151 196 HA LEU 24 HA LEU 24 -7.507 2.567 -2.291 197 1HB LEU 24 1HB LEU 24 -9.036 0.875 -4.267 198 2HB LEU 24 2HB LEU 24 -7.426 1.511 -4.541 199 HG LEU 24 HG LEU 24 -8.229 -0.499 -2.437 200 1HD1 LEU 24 1HD1 LEU 24 -6.660 -0.686 -4.993 201 2HD1 LEU 24 2HD1 LEU 24 -6.583 -1.912 -3.727 202 3HD1 LEU 24 3HD1 LEU 24 -8.114 -1.572 -4.534 203 1HD2 LEU 24 1HD2 LEU 24 -5.958 1.293 -2.595 204 2HD2 LEU 24 2HD2 LEU 24 -6.469 0.229 -1.283 205 3HD2 LEU 24 3HD2 LEU 24 -5.464 -0.400 -2.589 206 H ILE 25 H ILE 25 -7.079 4.408 -3.356 207 HA ILE 25 HA ILE 25 -9.340 5.784 -4.635 208 HB ILE 25 HB ILE 25 -8.038 7.857 -4.309 209 1HG1 ILE 25 1HG1 ILE 25 -6.171 6.323 -2.526 210 2HG1 ILE 25 2HG1 ILE 25 -5.823 6.480 -4.244 211 1HG2 ILE 25 1HG2 ILE 25 -9.687 7.102 -2.643 212 2HG2 ILE 25 2HG2 ILE 25 -8.399 6.276 -1.767 213 3HG2 ILE 25 3HG2 ILE 25 -8.376 8.032 -1.918 214 1HD1 ILE 25 1HD1 ILE 25 -6.417 9.058 -3.426 215 2HD1 ILE 25 2HD1 ILE 25 -5.461 8.378 -2.110 216 3HD1 ILE 25 3HD1 ILE 25 -4.818 8.387 -3.752 217 H HIS 26 H HIS 26 -6.088 4.628 -5.137 218 HA HIS 26 HA HIS 26 -6.386 4.858 -7.986 219 1HB HIS 26 1HB HIS 26 -4.956 6.911 -6.523 220 2HB HIS 26 2HB HIS 26 -3.892 6.083 -7.656 221 HD1 HIS 26 HD1 HIS 26 -5.863 5.637 -9.977 222 HD2 HIS 26 HD2 HIS 26 -5.480 9.208 -7.888 223 HE1 HIS 26 HE1 HIS 26 -6.720 7.420 -11.530 224 HE2 HIS 26 HE2 HIS 26 -6.412 9.580 -10.271 225 H TYR 27 H TYR 27 -4.530 3.901 -9.148 226 HA TYR 27 HA TYR 27 -2.920 2.111 -7.464 227 1HB TYR 27 1HB TYR 27 -3.486 0.204 -8.653 228 2HB TYR 27 2HB TYR 27 -5.021 1.067 -8.623 229 HD1 TYR 27 HD1 TYR 27 -2.160 0.081 -10.722 230 HD2 TYR 27 HD2 TYR 27 -5.983 1.965 -10.638 231 HE1 TYR 27 HE1 TYR 27 -2.252 -0.011 -13.181 232 HE2 TYR 27 HE2 TYR 27 -6.086 1.879 -13.099 233 HH TYR 27 HH TYR 27 -5.143 0.800 -14.947 234 H GLN 28 H GLN 28 -0.888 1.583 -8.251 235 HA GLN 28 HA GLN 28 -0.059 2.702 -10.810 236 1HB GLN 28 1HB GLN 28 2.068 3.514 -9.455 237 2HB GLN 28 2HB GLN 28 0.652 4.538 -9.647 238 1HG GLN 28 1HG GLN 28 0.189 2.980 -7.367 239 2HG GLN 28 2HG GLN 28 1.858 3.535 -7.258 240 1HE2 GLN 28 2HE2 GLN 28 -1.426 4.374 -6.969 241 2HE2 GLN 28 1HE2 GLN 28 -1.211 6.050 -6.611 242 H GLN 29 H GLN 29 2.140 1.979 -11.434 243 HA GLN 29 HA GLN 29 2.568 -0.763 -10.493 244 1HB GLN 29 1HB GLN 29 3.948 -0.972 -12.586 245 2HB GLN 29 2HB GLN 29 2.238 -0.657 -12.851 246 1HG GLN 29 1HG GLN 29 3.510 1.849 -12.714 247 2HG GLN 29 2HG GLN 29 4.505 0.823 -13.745 248 1HE2 GLN 29 2HE2 GLN 29 1.006 1.083 -13.222 249 2HE2 GLN 29 1HE2 GLN 29 0.603 1.331 -14.883 250 H ASN 30 H ASN 30 4.579 -1.509 -9.845 251 HA ASN 30 HA ASN 30 6.267 0.436 -8.595 252 1HB ASN 30 1HB ASN 30 5.725 -1.919 -7.744 253 2HB ASN 30 2HB ASN 30 6.906 -2.493 -8.917 254 1HD2 ASN 30 2HD2 ASN 30 8.214 -3.295 -7.267 255 2HD2 ASN 30 1HD2 ASN 30 9.174 -2.251 -6.280 256 H GLN 31 H GLN 31 8.701 0.274 -8.856 257 HA GLN 31 HA GLN 31 9.310 0.373 -11.724 258 1HB GLN 31 1HB GLN 31 10.870 1.485 -9.383 259 2HB GLN 31 2HB GLN 31 11.260 1.712 -11.082 260 1HG GLN 31 1HG GLN 31 8.774 2.660 -11.107 261 2HG GLN 31 2HG GLN 31 9.178 2.990 -9.423 262 1HE2 GLN 31 2HE2 GLN 31 8.731 4.780 -11.742 263 2HE2 GLN 31 1HE2 GLN 31 10.145 5.771 -11.830 264 H ALA 32 H ALA 32 11.311 -0.502 -12.509 265 HA ALA 32 HA ALA 32 11.866 -3.090 -11.429 266 1HB ALA 32 1HB ALA 32 12.977 -1.531 -13.741 267 2HB ALA 32 2HB ALA 32 13.620 -3.107 -13.279 268 3HB ALA 32 3HB ALA 32 11.934 -2.953 -13.771 269 H SER 33 H SER 33 12.907 -0.089 -10.525 270 HA SER 33 HA SER 33 15.596 -0.979 -9.777 271 1HB SER 33 1HB SER 33 16.248 1.214 -9.776 272 2HB SER 33 2HB SER 33 14.871 1.368 -10.866 273 HG SER 33 HG SER 33 15.136 2.789 -8.839 274 H CYS 34 H CYS 34 12.823 -1.573 -8.519 275 HA CYS 34 HA CYS 34 13.650 -0.969 -5.758 276 1HB CYS 34 1HB CYS 34 10.765 -1.269 -6.555 277 2HB CYS 34 2HB CYS 34 11.435 -0.531 -5.102 278 H GLY 35 H GLY 35 11.482 -2.469 -4.613 279 1HA GLY 35 1HA GLY 35 12.662 -5.003 -4.432 280 2HA GLY 35 2HA GLY 35 11.035 -4.605 -3.898 281 H LYS 36 H LYS 36 10.546 -6.808 -4.592 282 HA LYS 36 HA LYS 36 10.787 -7.839 -7.126 283 1HB LYS 36 1HB LYS 36 8.714 -8.180 -4.990 284 2HB LYS 36 2HB LYS 36 8.486 -8.950 -6.552 285 1HG LYS 36 1HG LYS 36 9.690 -10.639 -5.792 286 2HG LYS 36 2HG LYS 36 11.097 -9.573 -5.834 287 1HD LYS 36 1HD LYS 36 11.200 -9.475 -3.607 288 2HD LYS 36 2HD LYS 36 9.473 -9.138 -3.472 289 1HE LYS 36 1HE LYS 36 9.693 -11.831 -4.241 290 2HE LYS 36 2HE LYS 36 10.891 -11.580 -2.972 291 1HZ LYS 36 1HZ LYS 36 8.456 -10.323 -2.277 292 2HZ LYS 36 2HZ LYS 36 8.168 -11.944 -2.661 293 3HZ LYS 36 3HZ LYS 36 9.293 -11.545 -1.460 294 H ARG 37 H ARG 37 9.211 -8.066 -8.862 295 HA ARG 37 HA ARG 37 8.170 -5.522 -9.653 296 1HB ARG 37 1HB ARG 37 7.618 -8.142 -11.031 297 2HB ARG 37 2HB ARG 37 7.684 -6.534 -11.738 298 1HG ARG 37 1HG ARG 37 10.103 -6.461 -11.288 299 2HG ARG 37 2HG ARG 37 10.012 -8.108 -10.660 300 1HD ARG 37 1HD ARG 37 9.985 -8.997 -12.710 301 2HD ARG 37 2HD ARG 37 8.795 -7.831 -13.288 302 HE ARG 37 HE ARG 37 10.517 -6.785 -14.334 303 1HH1 ARG 37 1HH1 ARG 37 11.766 -8.337 -11.479 304 2HH1 ARG 37 2HH1 ARG 37 13.397 -7.819 -11.754 305 1HH2 ARG 37 1HH2 ARG 37 12.659 -6.099 -14.708 306 2HH2 ARG 37 2HH2 ARG 37 13.904 -6.547 -13.589 307 H ALA 38 H ALA 38 6.707 -5.332 -7.763 308 HA ALA 38 HA ALA 38 4.202 -6.834 -8.115 309 1HB ALA 38 1HB ALA 38 5.403 -5.454 -5.735 310 2HB ALA 38 2HB ALA 38 3.700 -5.908 -5.790 311 3HB ALA 38 3HB ALA 38 4.947 -7.148 -5.914 312 H ILE 39 H ILE 39 2.373 -5.267 -6.956 313 HA ILE 39 HA ILE 39 2.360 -2.861 -8.653 314 HB ILE 39 HB ILE 39 0.087 -4.580 -7.670 315 1HG1 ILE 39 1HG1 ILE 39 1.499 -5.075 -9.802 316 2HG1 ILE 39 2HG1 ILE 39 -0.256 -5.148 -9.903 317 1HG2 ILE 39 1HG2 ILE 39 0.031 -1.825 -8.866 318 2HG2 ILE 39 2HG2 ILE 39 -1.345 -2.922 -8.965 319 3HG2 ILE 39 3HG2 ILE 39 -0.746 -2.400 -7.391 320 1HD1 ILE 39 1HD1 ILE 39 1.353 -2.728 -10.664 321 2HD1 ILE 39 2HD1 ILE 39 0.872 -3.988 -11.801 322 3HD1 ILE 39 3HD1 ILE 39 -0.357 -3.030 -10.974 323 H ILE 40 H ILE 40 1.580 -0.912 -7.817 324 HA ILE 40 HA ILE 40 1.657 -0.748 -4.883 325 HB ILE 40 HB ILE 40 1.941 1.567 -6.790 326 1HG1 ILE 40 1HG1 ILE 40 3.672 -0.365 -7.026 327 2HG1 ILE 40 2HG1 ILE 40 4.254 1.291 -6.890 328 1HG2 ILE 40 1HG2 ILE 40 1.367 1.885 -4.330 329 2HG2 ILE 40 2HG2 ILE 40 3.000 1.317 -3.992 330 3HG2 ILE 40 3HG2 ILE 40 2.756 2.775 -4.952 331 1HD1 ILE 40 1HD1 ILE 40 4.074 -0.655 -4.604 332 2HD1 ILE 40 2HD1 ILE 40 5.535 -0.306 -5.529 333 3HD1 ILE 40 3HD1 ILE 40 4.776 0.962 -4.567 334 H LEU 41 H LEU 41 -0.220 -0.484 -3.882 335 HA LEU 41 HA LEU 41 -2.477 0.656 -5.380 336 1HB LEU 41 1HB LEU 41 -2.542 -0.929 -2.813 337 2HB LEU 41 2HB LEU 41 -3.923 -0.444 -3.779 338 HG LEU 41 HG LEU 41 -1.781 -2.388 -4.645 339 1HD1 LEU 41 1HD1 LEU 41 -4.056 -2.738 -2.991 340 2HD1 LEU 41 2HD1 LEU 41 -4.382 -3.518 -4.540 341 3HD1 LEU 41 3HD1 LEU 41 -2.948 -3.961 -3.613 342 1HD2 LEU 41 1HD2 LEU 41 -3.297 -0.827 -6.269 343 2HD2 LEU 41 2HD2 LEU 41 -2.683 -2.422 -6.701 344 3HD2 LEU 41 3HD2 LEU 41 -4.328 -2.247 -6.092 345 H GLU 42 H GLU 42 -3.342 2.550 -4.815 346 HA GLU 42 HA GLU 42 -2.314 3.853 -2.389 347 1HB GLU 42 1HB GLU 42 -2.045 4.887 -4.736 348 2HB GLU 42 2HB GLU 42 -3.763 5.245 -4.628 349 1HG GLU 42 1HG GLU 42 -3.458 6.921 -3.171 350 2HG GLU 42 2HG GLU 42 -2.178 6.074 -2.304 351 H THR 43 H THR 43 -3.629 4.232 -0.728 352 HA THR 43 HA THR 43 -6.504 3.761 -1.107 353 HB THR 43 HB THR 43 -6.587 3.363 1.312 354 HG1 THR 43 HG1 THR 43 -5.055 4.132 2.490 355 1HG2 THR 43 1HG2 THR 43 -4.940 1.772 -0.478 356 2HG2 THR 43 2HG2 THR 43 -4.531 1.558 1.224 357 3HG2 THR 43 3HG2 THR 43 -6.182 1.274 0.673 358 H ARG 44 H ARG 44 -7.931 5.034 0.426 359 HA ARG 44 HA ARG 44 -7.751 7.761 -0.165 360 1HB ARG 44 1HB ARG 44 -9.297 6.855 2.224 361 2HB ARG 44 2HB ARG 44 -9.746 8.005 0.972 362 1HG ARG 44 1HG ARG 44 -9.840 5.993 -0.596 363 2HG ARG 44 2HG ARG 44 -9.803 5.011 0.870 364 1HD ARG 44 1HD ARG 44 -11.816 7.187 0.328 365 2HD ARG 44 2HD ARG 44 -12.095 5.476 0.009 366 HE ARG 44 HE ARG 44 -11.441 5.407 2.585 367 1HH1 ARG 44 1HH1 ARG 44 -13.589 7.534 0.855 368 2HH1 ARG 44 2HH1 ARG 44 -14.631 7.797 2.215 369 1HH2 ARG 44 1HH2 ARG 44 -12.805 5.747 4.379 370 2HH2 ARG 44 2HH2 ARG 44 -14.185 6.781 4.217 371 H GLN 45 H GLN 45 -6.195 5.941 2.257 372 HA GLN 45 HA GLN 45 -5.625 8.349 3.843 373 1HB GLN 45 1HB GLN 45 -5.464 5.410 4.462 374 2HB GLN 45 2HB GLN 45 -4.626 6.597 5.452 375 1HG GLN 45 1HG GLN 45 -7.062 7.701 5.417 376 2HG GLN 45 2HG GLN 45 -7.505 6.005 5.225 377 1HE2 GLN 45 2HE2 GLN 45 -5.939 4.604 6.749 378 2HE2 GLN 45 1HE2 GLN 45 -5.992 5.104 8.402 379 H HIS 46 H HIS 46 -4.421 7.857 1.262 380 HA HIS 46 HA HIS 46 -2.397 7.790 0.210 381 1HB HIS 46 1HB HIS 46 -1.721 9.104 2.837 382 2HB HIS 46 2HB HIS 46 -0.545 8.942 1.537 383 HD1 HIS 46 HD1 HIS 46 -1.166 10.210 -0.736 384 HD2 HIS 46 HD2 HIS 46 -3.445 11.215 2.591 385 HE1 HIS 46 HE1 HIS 46 -2.304 12.372 -1.329 386 HE2 HIS 46 HE2 HIS 46 -3.600 13.010 0.735 387 H ARG 47 H ARG 47 -2.972 5.315 1.075 388 HA ARG 47 HA ARG 47 -0.521 4.333 2.372 389 1HB ARG 47 1HB ARG 47 -3.074 3.797 3.071 390 2HB ARG 47 2HB ARG 47 -2.788 2.482 1.937 391 1HG ARG 47 1HG ARG 47 -0.570 2.766 3.751 392 2HG ARG 47 2HG ARG 47 -2.090 2.575 4.629 393 1HD ARG 47 1HD ARG 47 -2.500 0.486 3.735 394 2HD ARG 47 2HD ARG 47 -1.482 0.776 2.323 395 HE ARG 47 HE ARG 47 -0.676 -0.394 4.766 396 1HH1 ARG 47 1HH1 ARG 47 0.420 1.804 2.300 397 2HH1 ARG 47 2HH1 ARG 47 2.099 1.468 2.561 398 1HH2 ARG 47 1HH2 ARG 47 1.534 -0.847 5.119 399 2HH2 ARG 47 2HH2 ARG 47 2.733 -0.041 4.163 400 H LEU 48 H LEU 48 0.925 3.255 1.205 401 HA LEU 48 HA LEU 48 0.144 2.360 -1.483 402 1HB LEU 48 1HB LEU 48 2.800 3.202 -0.345 403 2HB LEU 48 2HB LEU 48 2.651 2.385 -1.888 404 HG LEU 48 HG LEU 48 1.791 5.149 -1.136 405 1HD1 LEU 48 1HD1 LEU 48 3.911 4.059 -2.570 406 2HD1 LEU 48 2HD1 LEU 48 2.820 4.708 -3.795 407 3HD1 LEU 48 3HD1 LEU 48 3.427 5.754 -2.509 408 1HD2 LEU 48 1HD2 LEU 48 0.503 3.330 -3.107 409 2HD2 LEU 48 2HD2 LEU 48 -0.207 4.590 -2.099 410 3HD2 LEU 48 3HD2 LEU 48 0.714 5.026 -3.537 411 H PHE 49 H PHE 49 -0.144 0.254 -1.710 412 HA PHE 49 HA PHE 49 1.347 -1.575 0.053 413 1HB PHE 49 1HB PHE 49 -1.417 -1.623 -1.057 414 2HB PHE 49 2HB PHE 49 -0.595 -3.165 -0.855 415 HD1 PHE 49 HD1 PHE 49 0.786 -3.117 1.569 416 HD2 PHE 49 HD2 PHE 49 -2.893 -1.177 0.627 417 HE1 PHE 49 HE1 PHE 49 0.170 -3.133 3.958 418 HE2 PHE 49 HE2 PHE 49 -3.515 -1.188 3.012 419 HZ PHE 49 HZ PHE 49 -1.982 -2.168 4.681 420 H CYS 50 H CYS 50 2.731 -2.985 -0.822 421 HA CYS 50 HA CYS 50 3.014 -3.032 -3.723 422 1HB CYS 50 1HB CYS 50 4.760 -3.714 -1.410 423 2HB CYS 50 2HB CYS 50 5.032 -4.589 -2.914 424 H ALA 51 H ALA 51 1.098 -4.253 -4.144 425 HA ALA 51 HA ALA 51 1.207 -7.069 -3.316 426 1HB ALA 51 1HB ALA 51 -0.859 -5.849 -2.794 427 2HB ALA 51 2HB ALA 51 -1.098 -5.534 -4.512 428 3HB ALA 51 3HB ALA 51 -1.142 -7.190 -3.901 429 H ASP 52 H ASP 52 1.854 -8.544 -4.727 430 HA ASP 52 HA ASP 52 2.706 -7.987 -7.317 431 1HB ASP 52 1HB ASP 52 3.459 -9.951 -6.049 432 2HB ASP 52 2HB ASP 52 1.846 -10.649 -6.165 433 HA PRO 53 HA PRO 53 -0.885 -7.545 -9.832 434 1HB PRO 53 1HB PRO 53 0.657 -9.286 -11.705 435 2HB PRO 53 2HB PRO 53 -0.154 -7.746 -12.011 436 1HG PRO 53 1HG PRO 53 2.495 -7.861 -11.748 437 2HG PRO 53 2HG PRO 53 1.567 -6.502 -11.091 438 1HD PRO 53 1HD PRO 53 2.845 -8.784 -9.676 439 2HD PRO 53 2HD PRO 53 2.579 -7.117 -9.126 440 H LYS 54 H LYS 54 0.468 -10.630 -8.991 441 HA LYS 54 HA LYS 54 -1.569 -12.254 -10.133 442 1HB LYS 54 1HB LYS 54 0.427 -12.777 -7.929 443 2HB LYS 54 2HB LYS 54 -0.666 -14.002 -8.558 444 1HG LYS 54 1HG LYS 54 1.073 -12.521 -10.464 445 2HG LYS 54 2HG LYS 54 1.783 -13.783 -9.456 446 1HD LYS 54 1HD LYS 54 0.403 -15.446 -10.376 447 2HD LYS 54 2HD LYS 54 -0.707 -14.260 -11.066 448 1HE LYS 54 1HE LYS 54 0.459 -14.192 -12.957 449 2HE LYS 54 2HE LYS 54 1.941 -13.825 -12.076 450 1HZ LYS 54 1HZ LYS 54 0.857 -16.566 -12.407 451 2HZ LYS 54 2HZ LYS 54 2.031 -15.890 -13.420 452 3HZ LYS 54 3HZ LYS 54 2.367 -16.134 -11.781 453 H GLU 55 H GLU 55 -0.982 -11.071 -6.831 454 HA GLU 55 HA GLU 55 -2.934 -12.208 -5.377 455 1HB GLU 55 1HB GLU 55 -2.092 -9.315 -5.417 456 2HB GLU 55 2HB GLU 55 -3.206 -9.953 -4.218 457 1HG GLU 55 1HG GLU 55 -1.501 -11.547 -3.486 458 2HG GLU 55 2HG GLU 55 -0.383 -10.886 -4.679 459 H GLN 56 H GLN 56 -5.086 -12.352 -5.360 460 HA GLN 56 HA GLN 56 -6.652 -11.496 -7.501 461 1HB GLN 56 1HB GLN 56 -7.127 -13.355 -5.810 462 2HB GLN 56 2HB GLN 56 -7.763 -12.092 -4.766 463 1HG GLN 56 1HG GLN 56 -8.799 -13.004 -7.427 464 2HG GLN 56 2HG GLN 56 -9.620 -13.012 -5.867 465 1HE2 GLN 56 2HE2 GLN 56 -8.591 -11.066 -8.559 466 2HE2 GLN 56 1HE2 GLN 56 -9.544 -9.675 -8.184 467 H TRP 57 H TRP 57 -6.687 -10.229 -4.152 468 HA TRP 57 HA TRP 57 -8.498 -8.200 -4.527 469 1HB TRP 57 1HB TRP 57 -7.763 -7.267 -2.522 470 2HB TRP 57 2HB TRP 57 -7.317 -8.961 -2.371 471 HD1 TRP 57 HD1 TRP 57 -4.598 -9.436 -3.109 472 HE1 TRP 57 HE1 TRP 57 -2.552 -8.046 -2.392 473 HE3 TRP 57 HE3 TRP 57 -6.972 -5.074 -1.881 474 HZ2 TRP 57 HZ2 TRP 57 -2.018 -5.440 -1.425 475 HZ3 TRP 57 HZ3 TRP 57 -5.623 -3.180 -1.068 476 HH2 TRP 57 HH2 TRP 57 -3.195 -3.360 -0.845 477 H VAL 58 H VAL 58 -5.367 -8.419 -5.898 478 HA VAL 58 HA VAL 58 -5.134 -5.557 -6.350 479 HB VAL 58 HB VAL 58 -3.416 -7.878 -7.233 480 1HG1 VAL 58 1HG1 VAL 58 -3.428 -6.026 -8.887 481 2HG1 VAL 58 2HG1 VAL 58 -2.865 -4.941 -7.618 482 3HG1 VAL 58 3HG1 VAL 58 -1.856 -6.291 -8.135 483 1HG2 VAL 58 1HG2 VAL 58 -3.372 -7.257 -4.823 484 2HG2 VAL 58 2HG2 VAL 58 -1.821 -7.063 -5.641 485 3HG2 VAL 58 3HG2 VAL 58 -2.817 -5.650 -5.294 486 H LYS 59 H LYS 59 -5.770 -8.508 -8.196 487 HA LYS 59 HA LYS 59 -5.923 -7.264 -10.732 488 1HB LYS 59 1HB LYS 59 -7.155 -9.838 -9.728 489 2HB LYS 59 2HB LYS 59 -7.117 -9.344 -11.415 490 1HG LYS 59 1HG LYS 59 -4.701 -9.419 -11.419 491 2HG LYS 59 2HG LYS 59 -4.691 -9.821 -9.699 492 1HD LYS 59 1HD LYS 59 -5.533 -11.953 -10.061 493 2HD LYS 59 2HD LYS 59 -6.191 -11.531 -11.642 494 1HE LYS 59 1HE LYS 59 -3.238 -11.560 -11.086 495 2HE LYS 59 2HE LYS 59 -4.110 -13.002 -11.602 496 1HZ LYS 59 1HZ LYS 59 -4.459 -10.560 -13.174 497 2HZ LYS 59 2HZ LYS 59 -2.989 -11.383 -13.321 498 3HZ LYS 59 3HZ LYS 59 -4.439 -12.175 -13.677 499 H ASP 60 H ASP 60 -8.420 -8.203 -8.376 500 HA ASP 60 HA ASP 60 -10.575 -7.149 -9.914 501 1HB ASP 60 1HB ASP 60 -10.247 -8.277 -7.191 502 2HB ASP 60 2HB ASP 60 -11.596 -7.167 -7.412 503 H ALA 61 H ALA 61 -8.662 -5.947 -7.176 504 HA ALA 61 HA ALA 61 -10.014 -3.638 -6.606 505 1HB ALA 61 1HB ALA 61 -7.082 -4.261 -6.563 506 2HB ALA 61 2HB ALA 61 -7.696 -2.687 -6.061 507 3HB ALA 61 3HB ALA 61 -8.209 -4.145 -5.213 508 H MET 62 H MET 62 -7.608 -4.161 -9.154 509 HA MET 62 HA MET 62 -7.641 -1.494 -10.116 510 1HB MET 62 1HB MET 62 -6.653 -4.110 -11.191 511 2HB MET 62 2HB MET 62 -6.714 -2.703 -12.246 512 1HG MET 62 1HG MET 62 -4.943 -1.746 -11.281 513 2HG MET 62 2HG MET 62 -5.456 -2.201 -9.659 514 1HE MET 62 1HE MET 62 -4.544 -3.551 -12.945 515 2HE MET 62 2HE MET 62 -2.826 -3.838 -12.669 516 3HE MET 62 3HE MET 62 -3.965 -5.183 -12.612 517 H GLN 63 H GLN 63 -9.220 -4.471 -11.266 518 HA GLN 63 HA GLN 63 -10.500 -3.561 -13.494 519 1HB GLN 63 1HB GLN 63 -10.659 -5.877 -12.641 520 2HB GLN 63 2HB GLN 63 -11.733 -5.321 -11.364 521 1HG GLN 63 1HG GLN 63 -12.973 -4.382 -13.609 522 2HG GLN 63 2HG GLN 63 -12.290 -5.909 -14.164 523 1HE2 GLN 63 2HE2 GLN 63 -14.652 -4.388 -12.193 524 2HE2 GLN 63 1HE2 GLN 63 -15.461 -5.822 -11.669 525 H HIS 64 H HIS 64 -11.240 -2.864 -10.151 526 HA HIS 64 HA HIS 64 -13.738 -1.573 -10.690 527 1HB HIS 64 1HB HIS 64 -13.259 -2.590 -8.498 528 2HB HIS 64 2HB HIS 64 -11.966 -1.423 -8.243 529 HD1 HIS 64 HD1 HIS 64 -15.674 -1.174 -9.108 530 HD2 HIS 64 HD2 HIS 64 -12.817 0.569 -6.645 531 HE1 HIS 64 HE1 HIS 64 -16.899 0.588 -7.798 532 HE2 HIS 64 HE2 HIS 64 -15.169 1.563 -6.246 533 H LEU 65 H LEU 65 -10.475 -0.446 -9.859 534 HA LEU 65 HA LEU 65 -10.996 2.297 -9.951 535 1HB LEU 65 1HB LEU 65 -8.443 0.840 -10.639 536 2HB LEU 65 2HB LEU 65 -8.570 2.557 -10.309 537 HG LEU 65 HG LEU 65 -8.669 0.255 -8.426 538 1HD1 LEU 65 1HD1 LEU 65 -6.782 2.060 -8.948 539 2HD1 LEU 65 2HD1 LEU 65 -7.678 2.950 -7.718 540 3HD1 LEU 65 3HD1 LEU 65 -7.013 1.360 -7.345 541 1HD2 LEU 65 1HD2 LEU 65 -10.066 2.883 -7.939 542 2HD2 LEU 65 2HD2 LEU 65 -10.831 1.299 -8.067 543 3HD2 LEU 65 3HD2 LEU 65 -9.749 1.649 -6.720 544 H ASP 66 H ASP 66 -10.354 -0.010 -12.501 545 HA ASP 66 HA ASP 66 -9.891 1.916 -14.553 546 1HB ASP 66 1HB ASP 66 -10.475 -1.030 -14.518 547 2HB ASP 66 2HB ASP 66 -10.487 -0.141 -16.039 548 H ARG 67 H ARG 67 -12.720 0.330 -13.242 549 HA ARG 67 HA ARG 67 -14.517 0.970 -15.329 550 1HB ARG 67 1HB ARG 67 -14.721 0.011 -12.538 551 2HB ARG 67 2HB ARG 67 -16.141 0.837 -13.169 552 1HG ARG 67 1HG ARG 67 -16.140 -0.726 -15.089 553 2HG ARG 67 2HG ARG 67 -14.802 -1.593 -14.334 554 1HD ARG 67 1HD ARG 67 -16.115 -2.386 -12.607 555 2HD ARG 67 2HD ARG 67 -17.307 -1.100 -12.788 556 HE ARG 67 HE ARG 67 -17.363 -3.635 -14.038 557 1HH1 ARG 67 1HH1 ARG 67 -18.045 -0.273 -14.646 558 2HH1 ARG 67 2HH1 ARG 67 -19.255 -0.600 -15.839 559 1HH2 ARG 67 1HH2 ARG 67 -18.956 -4.077 -15.609 560 2HH2 ARG 67 2HH2 ARG 67 -19.774 -2.763 -16.387 561 H GLN 68 H GLN 68 -13.504 2.671 -12.417 562 HA GLN 68 HA GLN 68 -15.412 4.769 -12.613 563 1HB GLN 68 1HB GLN 68 -12.906 4.300 -11.064 564 2HB GLN 68 2HB GLN 68 -13.529 5.941 -11.159 565 1HG GLN 68 1HG GLN 68 -15.124 5.519 -9.677 566 2HG GLN 68 2HG GLN 68 -15.613 4.046 -10.512 567 1HE2 GLN 68 2HE2 GLN 68 -13.522 2.418 -10.317 568 2HE2 GLN 68 1HE2 GLN 68 -13.135 2.082 -8.667 569 H ALA 69 H ALA 69 -12.465 4.086 -14.229 570 HA ALA 69 HA ALA 69 -11.732 6.742 -14.931 571 1HB ALA 69 1HB ALA 69 -10.764 4.083 -15.425 572 2HB ALA 69 2HB ALA 69 -10.766 5.021 -16.919 573 3HB ALA 69 3HB ALA 69 -9.901 5.620 -15.502 574 H ALA 70 H ALA 70 -14.207 4.666 -15.981 575 HA ALA 70 HA ALA 70 -14.765 6.456 -18.246 576 1HB ALA 70 1HB ALA 70 -14.982 3.449 -18.268 577 2HB ALA 70 2HB ALA 70 -15.589 4.512 -19.537 578 3HB ALA 70 3HB ALA 70 -13.859 4.436 -19.202 579 H ALA 71 H ALA 71 -16.069 4.012 -16.029 580 HA ALA 71 HA ALA 71 -18.716 4.069 -16.398 581 1HB ALA 71 1HB ALA 71 -17.215 4.221 -13.803 582 2HB ALA 71 2HB ALA 71 -18.965 4.011 -13.871 583 3HB ALA 71 3HB ALA 71 -17.903 2.801 -14.593 584 H LEU 72 H LEU 72 -17.957 6.050 -13.653 585 HA LEU 72 HA LEU 72 -20.017 7.877 -14.099 586 1HB LEU 72 1HB LEU 72 -17.507 8.401 -12.518 587 2HB LEU 72 2HB LEU 72 -19.061 9.178 -12.314 588 HG LEU 72 HG LEU 72 -19.462 6.414 -12.009 589 1HD1 LEU 72 1HD1 LEU 72 -16.844 6.840 -11.477 590 2HD1 LEU 72 2HD1 LEU 72 -17.564 7.120 -9.893 591 3HD1 LEU 72 3HD1 LEU 72 -17.823 5.584 -10.719 592 1HD2 LEU 72 1HD2 LEU 72 -20.423 8.647 -10.922 593 2HD2 LEU 72 2HD2 LEU 72 -20.593 7.066 -10.160 594 3HD2 LEU 72 3HD2 LEU 72 -19.316 8.165 -9.637 595 H THR 73 H THR 73 -16.545 8.687 -14.197 596 HA THR 73 HA THR 73 -17.156 10.827 -16.097 597 HB THR 73 HB THR 73 -15.867 11.495 -14.159 598 HG1 THR 73 HG1 THR 73 -14.888 12.740 -15.511 599 1HG2 THR 73 1HG2 THR 73 -14.516 9.018 -14.523 600 2HG2 THR 73 2HG2 THR 73 -13.344 10.334 -14.598 601 3HG2 THR 73 3HG2 THR 73 -14.395 10.169 -13.191 602 H ARG 74 H ARG 74 -15.762 11.163 -17.954 603 HA ARG 74 HA ARG 74 -14.923 8.606 -19.126 604 1HB ARG 74 1HB ARG 74 -15.302 11.159 -20.665 605 2HB ARG 74 2HB ARG 74 -15.370 9.503 -21.251 606 1HG ARG 74 1HG ARG 74 -17.459 9.170 -19.986 607 2HG ARG 74 2HG ARG 74 -17.401 10.863 -19.492 608 1HD ARG 74 1HD ARG 74 -18.863 10.778 -21.342 609 2HD ARG 74 2HD ARG 74 -17.348 11.444 -21.952 610 HE ARG 74 HE ARG 74 -17.026 8.864 -22.506 611 1HH1 ARG 74 1HH1 ARG 74 -19.765 10.960 -22.983 612 2HH1 ARG 74 2HH1 ARG 74 -20.340 10.107 -24.377 613 1HH2 ARG 74 1HH2 ARG 74 -17.774 7.732 -24.340 614 2HH2 ARG 74 2HH2 ARG 74 -19.208 8.272 -25.149 615 H ASN 75 H ASN 75 -13.462 10.761 -17.369 616 HA ASN 75 HA ASN 75 -11.039 10.830 -19.045 617 1HB ASN 75 1HB ASN 75 -12.436 13.031 -18.055 618 2HB ASN 75 2HB ASN 75 -11.070 12.852 -16.957 619 1HD2 ASN 75 2HD2 ASN 75 -9.127 13.533 -17.587 620 2HD2 ASN 75 1HD2 ASN 75 -8.740 14.105 -19.171 621 H GLY 76 H GLY 76 -11.893 11.361 -15.618 622 1HA GLY 76 1HA GLY 76 -11.232 9.529 -14.054 623 2HA GLY 76 2HA GLY 76 -9.704 9.499 -14.920 Start of MODEL 9 1 2H MET 0 2H MET 0 26.742 4.623 6.570 2 3H MET 0 3H MET 0 25.524 5.685 5.995 3 1H MET 0 1H MET 0 25.562 5.241 7.653 4 HA MET 0 HA MET 0 23.857 4.119 6.320 5 1HB MET 0 1HB MET 0 26.350 2.942 5.077 6 2HB MET 0 2HB MET 0 24.744 2.252 4.888 7 1HG MET 0 1HG MET 0 25.806 4.848 3.843 8 2HG MET 0 2HG MET 0 25.092 3.505 2.952 9 1HE MET 0 1HE MET 0 24.877 6.686 3.346 10 2HE MET 0 2HE MET 0 23.180 7.143 3.207 11 3HE MET 0 3HE MET 0 23.941 7.054 4.796 12 H GLN 1 H GLN 1 26.969 2.825 7.456 13 HA GLN 1 HA GLN 1 27.478 1.151 8.922 14 1HB GLN 1 1HB GLN 1 26.651 2.869 10.466 15 2HB GLN 1 2HB GLN 1 25.014 2.251 10.288 16 1HG GLN 1 1HG GLN 1 25.383 0.485 11.648 17 2HG GLN 1 2HG GLN 1 27.070 0.319 11.160 18 1HE2 GLN 1 2HE2 GLN 1 25.102 1.096 13.657 19 2HE2 GLN 1 1HE2 GLN 1 26.180 2.070 14.594 20 H HIS 2 H HIS 2 25.752 0.417 6.690 21 HA HIS 2 HA HIS 2 24.377 -1.259 5.966 22 1HB HIS 2 1HB HIS 2 25.955 -2.577 8.172 23 2HB HIS 2 2HB HIS 2 24.846 -3.479 7.145 24 HD1 HIS 2 HD1 HIS 2 27.769 -4.238 7.082 25 HD2 HIS 2 HD2 HIS 2 26.108 -1.399 4.543 26 HE1 HIS 2 HE1 HIS 2 29.307 -4.132 5.095 27 HE2 HIS 2 HE2 HIS 2 28.329 -2.345 3.613 28 H HIS 3 H HIS 3 23.196 0.530 7.901 29 HA HIS 3 HA HIS 3 20.909 -1.069 8.602 30 1HB HIS 3 1HB HIS 3 22.547 -1.358 10.522 31 2HB HIS 3 2HB HIS 3 22.322 0.355 10.855 32 HD1 HIS 3 HD1 HIS 3 19.813 -2.423 10.140 33 HD2 HIS 3 HD2 HIS 3 20.645 0.515 12.958 34 HE1 HIS 3 HE1 HIS 3 17.954 -2.565 11.828 35 HE2 HIS 3 HE2 HIS 3 18.542 -0.854 13.581 36 H GLY 4 H GLY 4 20.378 0.617 6.899 37 1HA GLY 4 1HA GLY 4 18.527 2.354 7.440 38 2HA GLY 4 2HA GLY 4 19.887 3.261 8.085 39 H VAL 5 H VAL 5 19.843 1.249 5.177 40 HA VAL 5 HA VAL 5 20.579 3.635 3.627 41 HB VAL 5 HB VAL 5 22.249 1.913 3.480 42 1HG1 VAL 5 1HG1 VAL 5 19.917 0.162 3.293 43 2HG1 VAL 5 2HG1 VAL 5 21.208 -0.242 2.161 44 3HG1 VAL 5 3HG1 VAL 5 21.542 -0.172 3.891 45 1HG2 VAL 5 1HG2 VAL 5 20.556 2.321 1.047 46 2HG2 VAL 5 2HG2 VAL 5 22.128 3.015 1.441 47 3HG2 VAL 5 3HG2 VAL 5 22.004 1.318 0.975 48 H THR 6 H THR 6 19.044 4.512 2.424 49 HA THR 6 HA THR 6 16.908 2.774 1.376 50 HB THR 6 HB THR 6 15.955 5.376 1.235 51 HG1 THR 6 HG1 THR 6 16.418 6.332 3.146 52 1HG2 THR 6 1HG2 THR 6 15.359 2.985 2.747 53 2HG2 THR 6 2HG2 THR 6 14.992 4.456 3.649 54 3HG2 THR 6 3HG2 THR 6 14.274 4.194 2.059 55 H LYS 7 H LYS 7 15.967 3.455 -0.696 56 HA LYS 7 HA LYS 7 17.126 5.339 -2.394 57 1HB LYS 7 1HB LYS 7 18.541 4.052 -3.820 58 2HB LYS 7 2HB LYS 7 19.083 3.778 -2.171 59 1HG LYS 7 1HG LYS 7 18.703 1.593 -2.308 60 2HG LYS 7 2HG LYS 7 17.098 1.835 -3.001 61 1HD LYS 7 1HD LYS 7 18.140 2.221 -5.203 62 2HD LYS 7 2HD LYS 7 19.724 1.903 -4.491 63 1HE LYS 7 1HE LYS 7 19.399 -0.239 -5.015 64 2HE LYS 7 2HE LYS 7 18.196 -0.276 -3.727 65 1HZ LYS 7 1HZ LYS 7 17.556 0.499 -6.516 66 2HZ LYS 7 2HZ LYS 7 17.420 -1.087 -5.946 67 3HZ LYS 7 3HZ LYS 7 16.472 0.137 -5.268 68 H CYS 8 H CYS 8 14.556 4.677 -1.877 69 HA CYS 8 HA CYS 8 13.348 4.502 -4.327 70 1HB CYS 8 1HB CYS 8 14.168 1.879 -3.339 71 2HB CYS 8 2HB CYS 8 12.443 1.968 -3.678 72 H ASN 9 H ASN 9 11.703 5.740 -3.703 73 HA ASN 9 HA ASN 9 10.542 6.161 -1.337 74 1HB ASN 9 1HB ASN 9 8.647 6.993 -2.436 75 2HB ASN 9 2HB ASN 9 9.908 7.097 -3.661 76 1HD2 ASN 9 2HD2 ASN 9 10.014 5.362 -5.237 77 2HD2 ASN 9 1HD2 ASN 9 8.553 4.577 -5.721 78 H ILE 10 H ILE 10 9.530 3.539 -3.524 79 HA ILE 10 HA ILE 10 8.530 2.080 -1.177 80 HB ILE 10 HB ILE 10 6.594 3.088 -2.281 81 1HG1 ILE 10 1HG1 ILE 10 6.411 0.209 -3.034 82 2HG1 ILE 10 2HG1 ILE 10 6.775 0.601 -1.356 83 1HG2 ILE 10 1HG2 ILE 10 7.982 2.596 -4.620 84 2HG2 ILE 10 2HG2 ILE 10 6.645 1.446 -4.672 85 3HG2 ILE 10 3HG2 ILE 10 6.320 3.170 -4.490 86 1HD1 ILE 10 1HD1 ILE 10 4.749 1.968 -1.257 87 2HD1 ILE 10 2HD1 ILE 10 4.373 1.505 -2.917 88 3HD1 ILE 10 3HD1 ILE 10 4.409 0.282 -1.646 89 H THR 11 H THR 11 9.217 0.039 -1.082 90 HA THR 11 HA THR 11 10.239 -1.204 -3.550 91 HB THR 11 HB THR 11 12.045 -0.526 -1.967 92 HG1 THR 11 HG1 THR 11 13.139 -2.336 -2.340 93 1HG2 THR 11 1HG2 THR 11 10.404 -1.470 0.019 94 2HG2 THR 11 2HG2 THR 11 11.620 -2.736 -0.138 95 3HG2 THR 11 3HG2 THR 11 12.113 -1.074 0.181 96 H CYS 12 H CYS 12 8.854 -2.748 -4.119 97 HA CYS 12 HA CYS 12 7.101 -4.045 -2.298 98 1HB CYS 12 1HB CYS 12 7.788 -5.083 -5.040 99 2HB CYS 12 2HB CYS 12 6.269 -5.228 -4.163 100 H SER 13 H SER 13 9.132 -4.567 -0.906 101 HA SER 13 HA SER 13 10.729 -6.796 -1.664 102 1HB SER 13 1HB SER 13 10.175 -5.651 1.084 103 2HB SER 13 2HB SER 13 11.447 -6.809 0.697 104 HG SER 13 HG SER 13 12.195 -5.154 -0.840 105 H LYS 14 H LYS 14 7.937 -6.440 0.510 106 HA LYS 14 HA LYS 14 7.491 -9.340 0.252 107 1HB LYS 14 1HB LYS 14 7.991 -7.880 2.608 108 2HB LYS 14 2HB LYS 14 6.276 -8.269 2.632 109 1HG LYS 14 1HG LYS 14 7.813 -9.929 3.740 110 2HG LYS 14 2HG LYS 14 6.694 -10.585 2.544 111 1HD LYS 14 1HD LYS 14 9.197 -9.759 1.340 112 2HD LYS 14 2HD LYS 14 9.447 -10.948 2.619 113 1HE LYS 14 1HE LYS 14 7.430 -11.298 0.414 114 2HE LYS 14 2HE LYS 14 9.090 -11.877 0.298 115 1HZ LYS 14 1HZ LYS 14 7.491 -12.637 2.637 116 2HZ LYS 14 2HZ LYS 14 7.198 -13.422 1.167 117 3HZ LYS 14 3HZ LYS 14 8.737 -13.482 1.867 118 H MET 15 H MET 15 5.191 -9.976 0.645 119 HA MET 15 HA MET 15 3.461 -8.184 -0.854 120 1HB MET 15 1HB MET 15 3.287 -11.057 -0.004 121 2HB MET 15 2HB MET 15 1.855 -10.209 -0.573 122 1HG MET 15 1HG MET 15 3.096 -11.552 -2.291 123 2HG MET 15 2HG MET 15 2.782 -9.869 -2.710 124 1HE MET 15 1HE MET 15 4.123 -8.479 -3.575 125 2HE MET 15 2HE MET 15 5.261 -7.895 -2.362 126 3HE MET 15 3HE MET 15 5.859 -8.598 -3.863 127 H THR 16 H THR 16 1.292 -7.685 -0.154 128 HA THR 16 HA THR 16 1.155 -7.311 2.756 129 HB THR 16 HB THR 16 1.066 -5.326 1.135 130 HG1 THR 16 HG1 THR 16 -0.845 -4.480 2.389 131 1HG2 THR 16 1HG2 THR 16 -0.808 -6.652 -0.214 132 2HG2 THR 16 2HG2 THR 16 -1.843 -5.760 0.900 133 3HG2 THR 16 3HG2 THR 16 -0.730 -4.891 -0.157 134 H SER 17 H SER 17 -1.452 -6.889 3.212 135 HA SER 17 HA SER 17 -2.647 -9.500 2.584 136 1HB SER 17 1HB SER 17 -2.855 -7.645 4.926 137 2HB SER 17 2HB SER 17 -4.192 -8.741 4.577 138 HG SER 17 HG SER 17 -3.030 -10.356 5.258 139 H LYS 18 H LYS 18 -5.016 -9.563 2.339 140 HA LYS 18 HA LYS 18 -5.939 -8.023 0.258 141 1HB LYS 18 1HB LYS 18 -6.966 -10.069 1.888 142 2HB LYS 18 2HB LYS 18 -8.143 -8.766 1.967 143 1HG LYS 18 1HG LYS 18 -7.656 -8.841 -0.692 144 2HG LYS 18 2HG LYS 18 -7.432 -10.537 -0.260 145 1HD LYS 18 1HD LYS 18 -9.824 -9.036 0.724 146 2HD LYS 18 2HD LYS 18 -9.797 -9.687 -0.917 147 1HE LYS 18 1HE LYS 18 -8.919 -11.577 1.137 148 2HE LYS 18 2HE LYS 18 -10.593 -11.053 1.312 149 1HZ LYS 18 1HZ LYS 18 -10.378 -11.564 -1.338 150 2HZ LYS 18 2HZ LYS 18 -9.411 -12.774 -0.659 151 3HZ LYS 18 3HZ LYS 18 -11.030 -12.621 -0.189 152 H ILE 19 H ILE 19 -6.935 -6.098 0.017 153 HA ILE 19 HA ILE 19 -7.681 -4.611 2.445 154 HB ILE 19 HB ILE 19 -6.336 -3.294 0.093 155 1HG1 ILE 19 1HG1 ILE 19 -5.075 -4.218 2.686 156 2HG1 ILE 19 2HG1 ILE 19 -4.769 -4.904 1.093 157 1HG2 ILE 19 1HG2 ILE 19 -7.273 -2.441 2.785 158 2HG2 ILE 19 2HG2 ILE 19 -5.866 -1.644 2.085 159 3HG2 ILE 19 3HG2 ILE 19 -7.409 -1.621 1.230 160 1HD1 ILE 19 1HD1 ILE 19 -4.305 -2.091 1.008 161 2HD1 ILE 19 2HD1 ILE 19 -3.420 -2.798 2.360 162 3HD1 ILE 19 3HD1 ILE 19 -3.179 -3.420 0.729 163 HA PRO 20 HA PRO 20 -11.626 -4.147 0.489 164 1HB PRO 20 1HB PRO 20 -11.488 -1.517 1.888 165 2HB PRO 20 2HB PRO 20 -12.784 -2.711 1.877 166 1HG PRO 20 1HG PRO 20 -11.160 -2.453 3.972 167 2HG PRO 20 2HG PRO 20 -11.746 -4.034 3.443 168 1HD PRO 20 1HD PRO 20 -9.053 -2.825 3.156 169 2HD PRO 20 2HD PRO 20 -9.512 -4.531 3.313 170 H VAL 21 H VAL 21 -11.834 -3.624 -1.591 171 HA VAL 21 HA VAL 21 -10.197 -1.833 -2.982 172 HB VAL 21 HB VAL 21 -11.541 -3.671 -4.021 173 1HG1 VAL 21 1HG1 VAL 21 -13.798 -1.716 -3.607 174 2HG1 VAL 21 2HG1 VAL 21 -13.875 -3.116 -4.678 175 3HG1 VAL 21 3HG1 VAL 21 -13.659 -3.345 -2.944 176 1HG2 VAL 21 1HG2 VAL 21 -10.546 -1.551 -5.185 177 2HG2 VAL 21 2HG2 VAL 21 -11.594 -2.651 -6.082 178 3HG2 VAL 21 3HG2 VAL 21 -12.243 -1.141 -5.438 179 H ALA 22 H ALA 22 -13.063 -1.314 -1.122 180 HA ALA 22 HA ALA 22 -13.897 1.133 -2.275 181 1HB ALA 22 1HB ALA 22 -14.340 0.049 0.504 182 2HB ALA 22 2HB ALA 22 -15.181 1.431 -0.197 183 3HB ALA 22 3HB ALA 22 -15.393 -0.175 -0.894 184 H LEU 23 H LEU 23 -11.118 0.389 -0.587 185 HA LEU 23 HA LEU 23 -10.851 3.097 0.515 186 1HB LEU 23 1HB LEU 23 -9.014 0.759 0.992 187 2HB LEU 23 2HB LEU 23 -9.090 2.261 1.893 188 HG LEU 23 HG LEU 23 -11.418 0.361 1.826 189 1HD1 LEU 23 1HD1 LEU 23 -9.403 -0.854 2.588 190 2HD1 LEU 23 2HD1 LEU 23 -9.180 0.362 3.845 191 3HD1 LEU 23 3HD1 LEU 23 -10.617 -0.663 3.852 192 1HD2 LEU 23 1HD2 LEU 23 -10.765 2.874 3.122 193 2HD2 LEU 23 2HD2 LEU 23 -12.322 2.066 2.938 194 3HD2 LEU 23 3HD2 LEU 23 -11.256 1.629 4.273 195 H LEU 24 H LEU 24 -9.821 1.062 -2.024 196 HA LEU 24 HA LEU 24 -7.324 2.391 -2.537 197 1HB LEU 24 1HB LEU 24 -8.965 0.541 -4.268 198 2HB LEU 24 2HB LEU 24 -7.343 1.090 -4.640 199 HG LEU 24 HG LEU 24 -8.129 -0.633 -2.287 200 1HD1 LEU 24 1HD1 LEU 24 -6.629 -1.265 -4.825 201 2HD1 LEU 24 2HD1 LEU 24 -6.809 -2.356 -3.450 202 3HD1 LEU 24 3HD1 LEU 24 -8.228 -1.855 -4.369 203 1HD2 LEU 24 1HD2 LEU 24 -5.619 0.769 -3.031 204 2HD2 LEU 24 2HD2 LEU 24 -6.301 0.434 -1.440 205 3HD2 LEU 24 3HD2 LEU 24 -5.495 -0.849 -2.341 206 H ILE 25 H ILE 25 -7.022 4.222 -3.629 207 HA ILE 25 HA ILE 25 -9.287 5.304 -5.168 208 HB ILE 25 HB ILE 25 -7.962 7.516 -4.849 209 1HG1 ILE 25 1HG1 ILE 25 -7.022 6.127 -2.352 210 2HG1 ILE 25 2HG1 ILE 25 -6.025 6.142 -3.804 211 1HG2 ILE 25 1HG2 ILE 25 -9.676 6.082 -2.876 212 2HG2 ILE 25 2HG2 ILE 25 -9.010 7.660 -2.457 213 3HG2 ILE 25 3HG2 ILE 25 -10.043 7.487 -3.877 214 1HD1 ILE 25 1HD1 ILE 25 -7.091 8.721 -2.787 215 2HD1 ILE 25 2HD1 ILE 25 -5.743 7.959 -1.943 216 3HD1 ILE 25 3HD1 ILE 25 -5.593 8.375 -3.650 217 H HIS 26 H HIS 26 -5.876 4.548 -5.234 218 HA HIS 26 HA HIS 26 -5.893 4.883 -8.129 219 1HB HIS 26 1HB HIS 26 -4.846 6.893 -6.549 220 2HB HIS 26 2HB HIS 26 -3.426 5.941 -6.970 221 HD1 HIS 26 HD1 HIS 26 -2.650 5.979 -9.411 222 HD2 HIS 26 HD2 HIS 26 -6.097 8.194 -8.719 223 HE1 HIS 26 HE1 HIS 26 -3.006 7.340 -11.497 224 HE2 HIS 26 HE2 HIS 26 -5.140 8.613 -11.084 225 H TYR 27 H TYR 27 -4.547 3.506 -9.202 226 HA TYR 27 HA TYR 27 -2.888 1.717 -7.551 227 1HB TYR 27 1HB TYR 27 -3.564 -0.158 -8.794 228 2HB TYR 27 2HB TYR 27 -5.056 0.742 -8.541 229 HD1 TYR 27 HD1 TYR 27 -2.469 -0.156 -11.014 230 HD2 TYR 27 HD2 TYR 27 -6.255 1.700 -10.381 231 HE1 TYR 27 HE1 TYR 27 -2.856 -0.128 -13.448 232 HE2 TYR 27 HE2 TYR 27 -6.653 1.731 -12.812 233 HH TYR 27 HH TYR 27 -4.176 0.628 -15.097 234 H GLN 28 H GLN 28 -0.809 1.984 -7.993 235 HA GLN 28 HA GLN 28 -0.039 2.831 -10.704 236 1HB GLN 28 1HB GLN 28 1.885 2.996 -8.443 237 2HB GLN 28 2HB GLN 28 1.674 4.068 -9.820 238 1HG GLN 28 1HG GLN 28 0.958 5.367 -8.067 239 2HG GLN 28 2HG GLN 28 -0.556 4.704 -8.679 240 1HE2 GLN 28 2HE2 GLN 28 1.421 5.110 -5.993 241 2HE2 GLN 28 1HE2 GLN 28 0.586 4.065 -4.900 242 H GLN 29 H GLN 29 2.556 2.225 -10.820 243 HA GLN 29 HA GLN 29 2.703 -0.683 -10.377 244 1HB GLN 29 1HB GLN 29 2.454 0.504 -12.840 245 2HB GLN 29 2HB GLN 29 4.197 0.332 -12.691 246 1HG GLN 29 1HG GLN 29 4.098 -1.844 -13.092 247 2HG GLN 29 2HG GLN 29 2.840 -2.079 -11.879 248 1HE2 GLN 29 2HE2 GLN 29 2.408 -3.696 -13.744 249 2HE2 GLN 29 1HE2 GLN 29 1.251 -3.170 -14.914 250 H ASN 30 H ASN 30 4.645 -1.496 -9.697 251 HA ASN 30 HA ASN 30 6.411 0.226 -8.348 252 1HB ASN 30 1HB ASN 30 5.988 -2.215 -7.840 253 2HB ASN 30 2HB ASN 30 7.027 -2.602 -9.210 254 1HD2 ASN 30 2HD2 ASN 30 8.683 -3.532 -8.153 255 2HD2 ASN 30 1HD2 ASN 30 9.685 -2.719 -7.006 256 H GLN 31 H GLN 31 8.681 0.576 -8.733 257 HA GLN 31 HA GLN 31 9.232 0.998 -11.566 258 1HB GLN 31 1HB GLN 31 11.085 1.869 -9.384 259 2HB GLN 31 2HB GLN 31 10.753 2.630 -10.934 260 1HG GLN 31 1HG GLN 31 8.348 2.906 -9.837 261 2HG GLN 31 2HG GLN 31 9.311 2.847 -8.362 262 1HE2 GLN 31 2HE2 GLN 31 7.824 5.075 -9.288 263 2HE2 GLN 31 1HE2 GLN 31 8.939 6.356 -9.604 264 H ALA 32 H ALA 32 10.987 0.155 -12.645 265 HA ALA 32 HA ALA 32 11.960 -2.362 -11.693 266 1HB ALA 32 1HB ALA 32 12.216 -0.778 -14.188 267 2HB ALA 32 2HB ALA 32 13.439 -2.007 -13.868 268 3HB ALA 32 3HB ALA 32 11.738 -2.459 -13.956 269 H SER 33 H SER 33 12.824 -0.970 -9.726 270 HA SER 33 HA SER 33 15.587 -1.256 -9.661 271 1HB SER 33 1HB SER 33 15.905 1.415 -9.373 272 2HB SER 33 2HB SER 33 16.185 0.565 -10.892 273 HG SER 33 HG SER 33 13.959 2.100 -10.102 274 H CYS 34 H CYS 34 13.298 -1.768 -8.050 275 HA CYS 34 HA CYS 34 14.137 -0.397 -5.592 276 1HB CYS 34 1HB CYS 34 11.289 -0.839 -6.508 277 2HB CYS 34 2HB CYS 34 11.730 -0.375 -4.868 278 H GLY 35 H GLY 35 11.423 -2.596 -5.888 279 1HA GLY 35 1HA GLY 35 13.027 -4.657 -4.503 280 2HA GLY 35 2HA GLY 35 11.358 -4.306 -4.079 281 H LYS 36 H LYS 36 9.912 -5.674 -4.866 282 HA LYS 36 HA LYS 36 10.657 -7.357 -7.145 283 1HB LYS 36 1HB LYS 36 8.387 -7.642 -5.168 284 2HB LYS 36 2HB LYS 36 8.781 -8.789 -6.440 285 1HG LYS 36 1HG LYS 36 11.041 -8.186 -4.707 286 2HG LYS 36 2HG LYS 36 9.667 -8.891 -3.853 287 1HD LYS 36 1HD LYS 36 9.719 -10.518 -5.970 288 2HD LYS 36 2HD LYS 36 11.427 -10.070 -5.923 289 1HE LYS 36 1HE LYS 36 9.794 -11.541 -3.900 290 2HE LYS 36 2HE LYS 36 11.373 -11.944 -4.572 291 1HZ LYS 36 1HZ LYS 36 12.113 -9.807 -3.363 292 2HZ LYS 36 2HZ LYS 36 10.701 -10.013 -2.453 293 3HZ LYS 36 3HZ LYS 36 11.886 -11.220 -2.461 294 H ARG 37 H ARG 37 9.466 -7.467 -9.009 295 HA ARG 37 HA ARG 37 8.056 -5.183 -9.830 296 1HB ARG 37 1HB ARG 37 7.384 -6.620 -11.796 297 2HB ARG 37 2HB ARG 37 9.113 -6.505 -11.499 298 1HG ARG 37 1HG ARG 37 9.173 -8.684 -10.542 299 2HG ARG 37 2HG ARG 37 7.411 -8.792 -10.539 300 1HD ARG 37 1HD ARG 37 7.352 -9.468 -12.665 301 2HD ARG 37 2HD ARG 37 8.483 -8.216 -13.177 302 HE ARG 37 HE ARG 37 10.184 -9.747 -13.053 303 1HH1 ARG 37 1HH1 ARG 37 7.389 -10.996 -11.391 304 2HH1 ARG 37 2HH1 ARG 37 8.066 -12.574 -11.168 305 1HH2 ARG 37 1HH2 ARG 37 11.085 -11.823 -12.763 306 2HH2 ARG 37 2HH2 ARG 37 10.168 -13.044 -11.947 307 H ALA 38 H ALA 38 6.386 -4.758 -8.383 308 HA ALA 38 HA ALA 38 4.071 -6.563 -8.625 309 1HB ALA 38 1HB ALA 38 5.378 -6.407 -6.338 310 2HB ALA 38 2HB ALA 38 4.398 -4.954 -6.147 311 3HB ALA 38 3HB ALA 38 3.618 -6.517 -6.387 312 H ILE 39 H ILE 39 2.271 -4.980 -7.201 313 HA ILE 39 HA ILE 39 2.040 -2.634 -8.971 314 HB ILE 39 HB ILE 39 -0.152 -4.271 -7.695 315 1HG1 ILE 39 1HG1 ILE 39 1.138 -5.154 -9.752 316 2HG1 ILE 39 2HG1 ILE 39 -0.621 -5.135 -9.823 317 1HG2 ILE 39 1HG2 ILE 39 -0.288 -1.799 -9.410 318 2HG2 ILE 39 2HG2 ILE 39 -1.671 -2.827 -9.034 319 3HG2 ILE 39 3HG2 ILE 39 -0.830 -1.974 -7.740 320 1HD1 ILE 39 1HD1 ILE 39 -0.544 -3.067 -11.113 321 2HD1 ILE 39 2HD1 ILE 39 1.219 -3.091 -11.044 322 3HD1 ILE 39 3HD1 ILE 39 0.352 -4.364 -11.904 323 H ILE 40 H ILE 40 1.112 -0.708 -8.096 324 HA ILE 40 HA ILE 40 1.567 -0.451 -5.204 325 HB ILE 40 HB ILE 40 1.255 1.899 -7.032 326 1HG1 ILE 40 1HG1 ILE 40 2.908 0.426 -8.114 327 2HG1 ILE 40 2HG1 ILE 40 3.661 1.885 -7.479 328 1HG2 ILE 40 1HG2 ILE 40 1.315 2.274 -4.626 329 2HG2 ILE 40 2HG2 ILE 40 2.860 1.429 -4.524 330 3HG2 ILE 40 3HG2 ILE 40 2.746 2.952 -5.405 331 1HD1 ILE 40 1HD1 ILE 40 3.848 0.035 -5.416 332 2HD1 ILE 40 2HD1 ILE 40 4.212 -0.871 -6.885 333 3HD1 ILE 40 3HD1 ILE 40 5.139 0.576 -6.489 334 H LEU 41 H LEU 41 -0.116 -0.162 -3.894 335 HA LEU 41 HA LEU 41 -2.676 0.671 -5.084 336 1HB LEU 41 1HB LEU 41 -2.052 -1.171 -2.792 337 2HB LEU 41 2HB LEU 41 -3.648 -0.476 -3.010 338 HG LEU 41 HG LEU 41 -2.234 -2.513 -4.682 339 1HD1 LEU 41 1HD1 LEU 41 -4.347 -2.520 -2.837 340 2HD1 LEU 41 2HD1 LEU 41 -5.073 -2.782 -4.423 341 3HD1 LEU 41 3HD1 LEU 41 -3.792 -3.851 -3.851 342 1HD2 LEU 41 1HD2 LEU 41 -4.482 -0.736 -5.620 343 2HD2 LEU 41 2HD2 LEU 41 -2.841 -0.777 -6.264 344 3HD2 LEU 41 3HD2 LEU 41 -3.897 -2.176 -6.455 345 H GLU 42 H GLU 42 -3.229 2.676 -4.599 346 HA GLU 42 HA GLU 42 -2.312 3.833 -2.055 347 1HB GLU 42 1HB GLU 42 -1.575 5.020 -4.077 348 2HB GLU 42 2HB GLU 42 -3.250 5.216 -4.575 349 1HG GLU 42 1HG GLU 42 -3.480 6.381 -2.240 350 2HG GLU 42 2HG GLU 42 -1.739 6.590 -2.414 351 H THR 43 H THR 43 -3.747 4.347 -0.521 352 HA THR 43 HA THR 43 -6.599 4.099 -1.183 353 HB THR 43 HB THR 43 -6.992 3.587 1.122 354 HG1 THR 43 HG1 THR 43 -5.638 4.076 2.672 355 1HG2 THR 43 1HG2 THR 43 -4.555 2.171 0.091 356 2HG2 THR 43 2HG2 THR 43 -5.386 1.712 1.578 357 3HG2 THR 43 3HG2 THR 43 -6.236 1.639 0.034 358 H ARG 44 H ARG 44 -8.072 5.503 0.152 359 HA ARG 44 HA ARG 44 -7.517 8.214 -0.349 360 1HB ARG 44 1HB ARG 44 -9.564 7.446 1.682 361 2HB ARG 44 2HB ARG 44 -9.654 8.646 0.401 362 1HG ARG 44 1HG ARG 44 -10.953 7.156 -0.633 363 2HG ARG 44 2HG ARG 44 -9.440 6.339 -1.029 364 1HD ARG 44 1HD ARG 44 -11.357 4.977 0.042 365 2HD ARG 44 2HD ARG 44 -9.714 4.751 0.639 366 HE ARG 44 HE ARG 44 -10.378 5.590 2.657 367 1HH1 ARG 44 1HH1 ARG 44 -12.734 6.453 0.244 368 2HH1 ARG 44 2HH1 ARG 44 -13.854 7.118 1.386 369 1HH2 ARG 44 1HH2 ARG 44 -11.846 6.462 4.172 370 2HH2 ARG 44 2HH2 ARG 44 -13.349 7.122 3.620 371 H GLN 45 H GLN 45 -6.453 6.223 2.136 372 HA GLN 45 HA GLN 45 -6.088 8.475 3.988 373 1HB GLN 45 1HB GLN 45 -5.703 5.520 4.499 374 2HB GLN 45 2HB GLN 45 -5.620 6.804 5.697 375 1HG GLN 45 1HG GLN 45 -7.921 7.192 5.614 376 2HG GLN 45 2HG GLN 45 -8.101 6.322 4.091 377 1HE2 GLN 45 2HE2 GLN 45 -9.381 6.022 6.770 378 2HE2 GLN 45 1HE2 GLN 45 -9.166 4.358 7.178 379 H HIS 46 H HIS 46 -4.531 7.792 1.488 380 HA HIS 46 HA HIS 46 -2.376 7.933 0.773 381 1HB HIS 46 1HB HIS 46 -1.552 8.583 3.594 382 2HB HIS 46 2HB HIS 46 -0.810 9.114 2.089 383 HD1 HIS 46 HD1 HIS 46 -3.171 10.318 0.623 384 HD2 HIS 46 HD2 HIS 46 -2.491 10.876 4.684 385 HE1 HIS 46 HE1 HIS 46 -4.384 12.438 1.222 386 HE2 HIS 46 HE2 HIS 46 -3.877 12.805 3.663 387 H ARG 47 H ARG 47 -3.258 5.406 1.318 388 HA ARG 47 HA ARG 47 -1.035 4.108 2.735 389 1HB ARG 47 1HB ARG 47 -3.433 3.604 3.387 390 2HB ARG 47 2HB ARG 47 -3.600 2.811 1.826 391 1HG ARG 47 1HG ARG 47 -1.308 1.698 2.884 392 2HG ARG 47 2HG ARG 47 -2.385 1.855 4.273 393 1HD ARG 47 1HD ARG 47 -4.169 0.802 2.766 394 2HD ARG 47 2HD ARG 47 -2.829 0.352 1.711 395 HE ARG 47 HE ARG 47 -2.203 -1.251 3.232 396 1HH1 ARG 47 1HH1 ARG 47 -4.536 0.888 4.684 397 2HH1 ARG 47 2HH1 ARG 47 -4.747 -0.092 6.096 398 1HH2 ARG 47 1HH2 ARG 47 -2.475 -2.550 5.088 399 2HH2 ARG 47 2HH2 ARG 47 -3.576 -2.045 6.327 400 H LEU 48 H LEU 48 0.594 3.655 1.402 401 HA LEU 48 HA LEU 48 -0.038 2.605 -1.276 402 1HB LEU 48 1HB LEU 48 2.706 3.514 -0.583 403 2HB LEU 48 2HB LEU 48 1.856 3.588 -2.115 404 HG LEU 48 HG LEU 48 1.615 5.451 0.233 405 1HD1 LEU 48 1HD1 LEU 48 3.366 5.681 -1.639 406 2HD1 LEU 48 2HD1 LEU 48 2.002 6.156 -2.651 407 3HD1 LEU 48 3HD1 LEU 48 2.401 7.093 -1.211 408 1HD2 LEU 48 1HD2 LEU 48 -0.363 4.809 -1.869 409 2HD2 LEU 48 2HD2 LEU 48 -0.599 5.430 -0.234 410 3HD2 LEU 48 3HD2 LEU 48 -0.093 6.518 -1.526 411 H PHE 49 H PHE 49 -0.041 0.447 -1.202 412 HA PHE 49 HA PHE 49 2.239 -0.884 0.106 413 1HB PHE 49 1HB PHE 49 -0.679 -1.566 0.147 414 2HB PHE 49 2HB PHE 49 0.517 -2.850 0.288 415 HD1 PHE 49 HD1 PHE 49 -0.726 0.264 1.840 416 HD2 PHE 49 HD2 PHE 49 1.674 -3.231 2.310 417 HE1 PHE 49 HE1 PHE 49 -0.520 0.734 4.253 418 HE2 PHE 49 HE2 PHE 49 1.883 -2.766 4.722 419 HZ PHE 49 HZ PHE 49 0.785 -0.783 5.695 420 H CYS 50 H CYS 50 3.120 -2.679 -0.935 421 HA CYS 50 HA CYS 50 2.616 -2.749 -3.802 422 1HB CYS 50 1HB CYS 50 4.835 -3.639 -2.016 423 2HB CYS 50 2HB CYS 50 4.646 -4.438 -3.573 424 H ALA 51 H ALA 51 1.093 -4.080 -4.511 425 HA ALA 51 HA ALA 51 0.763 -6.685 -3.176 426 1HB ALA 51 1HB ALA 51 -1.171 -5.017 -3.206 427 2HB ALA 51 2HB ALA 51 -1.303 -5.387 -4.926 428 3HB ALA 51 3HB ALA 51 -1.514 -6.667 -3.729 429 H ASP 52 H ASP 52 0.684 -8.554 -4.389 430 HA ASP 52 HA ASP 52 1.944 -8.402 -6.989 431 1HB ASP 52 1HB ASP 52 1.282 -10.614 -5.078 432 2HB ASP 52 2HB ASP 52 1.656 -10.999 -6.756 433 HA PRO 53 HA PRO 53 -1.841 -8.265 -9.320 434 1HB PRO 53 1HB PRO 53 -0.107 -9.700 -11.282 435 2HB PRO 53 2HB PRO 53 -1.136 -8.282 -11.517 436 1HG PRO 53 1HG PRO 53 1.508 -8.025 -11.320 437 2HG PRO 53 2HG PRO 53 0.418 -6.835 -10.584 438 1HD PRO 53 1HD PRO 53 2.027 -8.986 -9.294 439 2HD PRO 53 2HD PRO 53 1.588 -7.379 -8.681 440 H LYS 54 H LYS 54 0.014 -11.105 -8.595 441 HA LYS 54 HA LYS 54 -1.634 -13.066 -9.753 442 1HB LYS 54 1HB LYS 54 -0.430 -14.636 -8.502 443 2HB LYS 54 2HB LYS 54 0.712 -13.320 -8.736 444 1HG LYS 54 1HG LYS 54 0.211 -12.492 -6.487 445 2HG LYS 54 2HG LYS 54 -0.916 -13.830 -6.254 446 1HD LYS 54 1HD LYS 54 1.690 -14.741 -7.149 447 2HD LYS 54 2HD LYS 54 1.792 -13.820 -5.647 448 1HE LYS 54 1HE LYS 54 1.107 -15.619 -4.541 449 2HE LYS 54 2HE LYS 54 -0.434 -15.522 -5.392 450 1HZ LYS 54 1HZ LYS 54 0.944 -16.736 -7.243 451 2HZ LYS 54 2HZ LYS 54 1.883 -17.233 -5.927 452 3HZ LYS 54 3HZ LYS 54 0.233 -17.604 -5.977 453 H GLU 55 H GLU 55 -1.846 -11.296 -6.738 454 HA GLU 55 HA GLU 55 -3.849 -12.938 -5.552 455 1HB GLU 55 1HB GLU 55 -3.355 -10.026 -4.939 456 2HB GLU 55 2HB GLU 55 -4.022 -11.256 -3.874 457 1HG GLU 55 1HG GLU 55 -1.898 -12.353 -3.712 458 2HG GLU 55 2HG GLU 55 -1.205 -11.281 -4.928 459 H GLN 56 H GLN 56 -6.018 -12.871 -5.716 460 HA GLN 56 HA GLN 56 -7.252 -11.677 -7.920 461 1HB GLN 56 1HB GLN 56 -8.045 -13.659 -6.499 462 2HB GLN 56 2HB GLN 56 -8.728 -12.455 -5.415 463 1HG GLN 56 1HG GLN 56 -9.488 -13.078 -8.242 464 2HG GLN 56 2HG GLN 56 -10.497 -13.075 -6.796 465 1HE2 GLN 56 2HE2 GLN 56 -8.949 -11.122 -9.222 466 2HE2 GLN 56 1HE2 GLN 56 -9.808 -9.661 -8.888 467 H TRP 57 H TRP 57 -7.420 -10.734 -4.480 468 HA TRP 57 HA TRP 57 -9.094 -8.571 -4.680 469 1HB TRP 57 1HB TRP 57 -8.359 -7.926 -2.585 470 2HB TRP 57 2HB TRP 57 -7.855 -9.612 -2.620 471 HD1 TRP 57 HD1 TRP 57 -5.190 -10.069 -3.023 472 HE1 TRP 57 HE1 TRP 57 -3.148 -8.622 -2.424 473 HE3 TRP 57 HE3 TRP 57 -7.547 -5.575 -2.369 474 HZ2 TRP 57 HZ2 TRP 57 -2.607 -5.925 -1.760 475 HZ3 TRP 57 HZ3 TRP 57 -6.198 -3.608 -1.752 476 HH2 TRP 57 HH2 TRP 57 -3.776 -3.782 -1.453 477 H VAL 58 H VAL 58 -5.908 -8.877 -5.940 478 HA VAL 58 HA VAL 58 -5.520 -6.012 -6.228 479 HB VAL 58 HB VAL 58 -3.842 -8.327 -7.205 480 1HG1 VAL 58 1HG1 VAL 58 -3.258 -5.368 -7.179 481 2HG1 VAL 58 2HG1 VAL 58 -2.098 -6.636 -7.582 482 3HG1 VAL 58 3HG1 VAL 58 -3.510 -6.375 -8.605 483 1HG2 VAL 58 1HG2 VAL 58 -3.506 -6.480 -4.844 484 2HG2 VAL 58 2HG2 VAL 58 -3.893 -8.201 -4.786 485 3HG2 VAL 58 3HG2 VAL 58 -2.320 -7.669 -5.381 486 H LYS 59 H LYS 59 -6.069 -8.836 -8.309 487 HA LYS 59 HA LYS 59 -6.033 -7.422 -10.754 488 1HB LYS 59 1HB LYS 59 -7.640 -9.923 -10.271 489 2HB LYS 59 2HB LYS 59 -6.856 -9.399 -11.754 490 1HG LYS 59 1HG LYS 59 -4.667 -9.779 -10.722 491 2HG LYS 59 2HG LYS 59 -5.470 -10.336 -9.252 492 1HD LYS 59 1HD LYS 59 -6.673 -11.988 -10.860 493 2HD LYS 59 2HD LYS 59 -5.322 -11.635 -11.939 494 1HE LYS 59 1HE LYS 59 -3.908 -12.879 -10.740 495 2HE LYS 59 2HE LYS 59 -4.465 -12.187 -9.217 496 1HZ LYS 59 1HZ LYS 59 -6.519 -13.712 -9.704 497 2HZ LYS 59 2HZ LYS 59 -5.394 -14.584 -10.620 498 3HZ LYS 59 3HZ LYS 59 -5.130 -14.336 -8.968 499 H ASP 60 H ASP 60 -8.630 -8.287 -8.513 500 HA ASP 60 HA ASP 60 -10.700 -7.164 -10.149 501 1HB ASP 60 1HB ASP 60 -11.462 -8.844 -8.683 502 2HB ASP 60 2HB ASP 60 -10.593 -8.165 -7.311 503 H ALA 61 H ALA 61 -8.923 -6.149 -7.255 504 HA ALA 61 HA ALA 61 -10.230 -3.797 -6.706 505 1HB ALA 61 1HB ALA 61 -7.380 -4.640 -6.368 506 2HB ALA 61 2HB ALA 61 -7.887 -3.009 -5.932 507 3HB ALA 61 3HB ALA 61 -8.626 -4.401 -5.142 508 H MET 62 H MET 62 -7.511 -4.301 -8.937 509 HA MET 62 HA MET 62 -7.370 -1.617 -9.819 510 1HB MET 62 1HB MET 62 -6.348 -4.224 -10.906 511 2HB MET 62 2HB MET 62 -6.180 -2.739 -11.833 512 1HG MET 62 1HG MET 62 -4.567 -1.926 -10.498 513 2HG MET 62 2HG MET 62 -5.294 -2.589 -9.036 514 1HE MET 62 1HE MET 62 -4.418 -4.121 -12.362 515 2HE MET 62 2HE MET 62 -3.265 -5.406 -12.002 516 3HE MET 62 3HE MET 62 -4.961 -5.592 -11.554 517 H GLN 63 H GLN 63 -8.771 -4.516 -11.355 518 HA GLN 63 HA GLN 63 -9.776 -3.444 -13.649 519 1HB GLN 63 1HB GLN 63 -10.016 -5.809 -13.092 520 2HB GLN 63 2HB GLN 63 -11.155 -5.415 -11.812 521 1HG GLN 63 1HG GLN 63 -12.231 -4.243 -14.085 522 2HG GLN 63 2HG GLN 63 -11.606 -5.796 -14.636 523 1HE2 GLN 63 2HE2 GLN 63 -13.385 -6.991 -14.852 524 2HE2 GLN 63 1HE2 GLN 63 -14.537 -7.296 -13.601 525 H HIS 64 H HIS 64 -10.828 -2.907 -10.394 526 HA HIS 64 HA HIS 64 -13.330 -1.688 -11.062 527 1HB HIS 64 1HB HIS 64 -12.863 -2.759 -8.857 528 2HB HIS 64 2HB HIS 64 -11.736 -1.455 -8.502 529 HD1 HIS 64 HD1 HIS 64 -15.406 -1.739 -9.494 530 HD2 HIS 64 HD2 HIS 64 -12.893 0.515 -7.071 531 HE1 HIS 64 HE1 HIS 64 -16.908 -0.129 -8.282 532 HE2 HIS 64 HE2 HIS 64 -15.355 1.288 -6.894 533 H LEU 65 H LEU 65 -10.298 -0.371 -9.724 534 HA LEU 65 HA LEU 65 -10.964 2.326 -10.023 535 1HB LEU 65 1HB LEU 65 -8.367 0.846 -9.825 536 2HB LEU 65 2HB LEU 65 -8.373 2.573 -10.128 537 HG LEU 65 HG LEU 65 -9.573 1.199 -7.723 538 1HD1 LEU 65 1HD1 LEU 65 -6.960 1.598 -8.145 539 2HD1 LEU 65 2HD1 LEU 65 -7.393 3.178 -7.489 540 3HD1 LEU 65 3HD1 LEU 65 -7.711 1.717 -6.552 541 1HD2 LEU 65 1HD2 LEU 65 -9.765 3.954 -8.785 542 2HD2 LEU 65 2HD2 LEU 65 -10.904 3.031 -7.806 543 3HD2 LEU 65 3HD2 LEU 65 -9.500 3.783 -7.050 544 H ASP 66 H ASP 66 -10.031 -0.014 -12.354 545 HA ASP 66 HA ASP 66 -8.813 1.522 -14.318 546 1HB ASP 66 1HB ASP 66 -10.438 -0.977 -14.325 547 2HB ASP 66 2HB ASP 66 -10.129 -0.193 -15.870 548 H ARG 67 H ARG 67 -12.159 1.351 -13.366 549 HA ARG 67 HA ARG 67 -12.923 3.066 -15.625 550 1HB ARG 67 1HB ARG 67 -14.763 1.693 -13.664 551 2HB ARG 67 2HB ARG 67 -15.199 2.442 -15.195 552 1HG ARG 67 1HG ARG 67 -14.953 0.489 -16.199 553 2HG ARG 67 2HG ARG 67 -13.244 0.486 -15.757 554 1HD ARG 67 1HD ARG 67 -13.654 -1.285 -14.479 555 2HD ARG 67 2HD ARG 67 -14.600 -0.232 -13.428 556 HE ARG 67 HE ARG 67 -16.094 -1.207 -15.670 557 1HH1 ARG 67 1HH1 ARG 67 -14.983 -1.958 -12.457 558 2HH1 ARG 67 2HH1 ARG 67 -16.262 -3.081 -12.136 559 1HH2 ARG 67 1HH2 ARG 67 -17.782 -2.682 -15.261 560 2HH2 ARG 67 2HH2 ARG 67 -17.855 -3.494 -13.732 561 H GLN 68 H GLN 68 -11.659 3.579 -12.770 562 HA GLN 68 HA GLN 68 -13.372 5.905 -12.194 563 1HB GLN 68 1HB GLN 68 -12.121 3.921 -10.332 564 2HB GLN 68 2HB GLN 68 -12.357 5.577 -9.793 565 1HG GLN 68 1HG GLN 68 -14.347 4.821 -9.115 566 2HG GLN 68 2HG GLN 68 -14.799 5.038 -10.806 567 1HE2 GLN 68 2HE2 GLN 68 -12.889 2.578 -9.108 568 2HE2 GLN 68 1HE2 GLN 68 -13.822 1.230 -9.655 569 H ALA 69 H ALA 69 -10.112 4.547 -12.128 570 HA ALA 69 HA ALA 69 -8.667 6.737 -11.262 571 1HB ALA 69 1HB ALA 69 -8.065 4.408 -13.002 572 2HB ALA 69 2HB ALA 69 -6.906 5.737 -12.971 573 3HB ALA 69 3HB ALA 69 -7.332 4.904 -11.476 574 H ALA 70 H ALA 70 -10.315 6.264 -14.263 575 HA ALA 70 HA ALA 70 -8.929 7.995 -15.947 576 1HB ALA 70 1HB ALA 70 -11.570 6.759 -15.889 577 2HB ALA 70 2HB ALA 70 -11.541 8.315 -16.719 578 3HB ALA 70 3HB ALA 70 -10.467 7.016 -17.241 579 H ALA 71 H ALA 71 -11.786 8.710 -13.937 580 HA ALA 71 HA ALA 71 -11.475 11.540 -14.391 581 1HB ALA 71 1HB ALA 71 -13.610 9.837 -13.682 582 2HB ALA 71 2HB ALA 71 -13.397 10.989 -12.362 583 3HB ALA 71 3HB ALA 71 -13.658 11.571 -14.006 584 H LEU 72 H LEU 72 -9.585 9.734 -12.725 585 HA LEU 72 HA LEU 72 -8.138 10.127 -11.007 586 1HB LEU 72 1HB LEU 72 -9.376 12.707 -11.448 587 2HB LEU 72 2HB LEU 72 -9.011 12.465 -9.751 588 HG LEU 72 HG LEU 72 -7.259 13.561 -11.388 589 1HD1 LEU 72 1HD1 LEU 72 -6.921 11.756 -9.064 590 2HD1 LEU 72 2HD1 LEU 72 -5.471 12.218 -9.952 591 3HD1 LEU 72 3HD1 LEU 72 -6.507 13.460 -9.249 592 1HD2 LEU 72 1HD2 LEU 72 -7.438 11.367 -12.793 593 2HD2 LEU 72 2HD2 LEU 72 -5.877 12.155 -12.568 594 3HD2 LEU 72 3HD2 LEU 72 -6.301 10.745 -11.597 595 H THR 73 H THR 73 -10.879 11.841 -9.574 596 HA THR 73 HA THR 73 -10.794 10.163 -7.250 597 HB THR 73 HB THR 73 -11.315 12.498 -6.962 598 HG1 THR 73 HG1 THR 73 -12.637 11.971 -5.443 599 1HG2 THR 73 1HG2 THR 73 -12.369 12.896 -9.165 600 2HG2 THR 73 2HG2 THR 73 -13.813 12.071 -8.579 601 3HG2 THR 73 3HG2 THR 73 -13.278 13.566 -7.811 602 H ARG 74 H ARG 74 -13.082 10.662 -9.914 603 HA ARG 74 HA ARG 74 -13.896 8.131 -10.342 604 1HB ARG 74 1HB ARG 74 -14.946 9.101 -7.782 605 2HB ARG 74 2HB ARG 74 -16.188 8.477 -8.858 606 1HG ARG 74 1HG ARG 74 -15.542 6.361 -8.563 607 2HG ARG 74 2HG ARG 74 -13.829 6.769 -8.684 608 1HD ARG 74 1HD ARG 74 -13.912 6.122 -6.498 609 2HD ARG 74 2HD ARG 74 -14.277 7.838 -6.313 610 HE ARG 74 HE ARG 74 -16.451 7.298 -5.740 611 1HH1 ARG 74 1HH1 ARG 74 -14.736 4.468 -6.823 612 2HH1 ARG 74 2HH1 ARG 74 -15.948 3.361 -6.268 613 1HH2 ARG 74 1HH2 ARG 74 -18.052 5.850 -5.002 614 2HH2 ARG 74 2HH2 ARG 74 -17.834 4.148 -5.231 615 H ASN 75 H ASN 75 -16.294 10.491 -9.267 616 HA ASN 75 HA ASN 75 -17.081 10.849 -12.080 617 1HB ASN 75 1HB ASN 75 -18.590 10.319 -9.670 618 2HB ASN 75 2HB ASN 75 -19.148 11.803 -10.437 619 1HD2 ASN 75 2HD2 ASN 75 -17.766 9.007 -12.052 620 2HD2 ASN 75 1HD2 ASN 75 -19.193 8.576 -12.927 621 H GLY 76 H GLY 76 -16.294 12.687 -12.880 622 1HA GLY 76 1HA GLY 76 -16.930 15.158 -12.698 623 2HA GLY 76 2HA GLY 76 -16.173 15.046 -11.115 Start of MODEL 10 1 2H MET 0 2H MET 0 21.994 7.409 0.905 2 3H MET 0 3H MET 0 21.419 8.484 2.115 3 1H MET 0 1H MET 0 22.939 8.763 1.375 4 HA MET 0 HA MET 0 22.210 7.038 3.527 5 1HB MET 0 1HB MET 0 22.500 5.496 1.535 6 2HB MET 0 2HB MET 0 24.167 6.046 1.452 7 1HG MET 0 1HG MET 0 23.944 5.323 4.071 8 2HG MET 0 2HG MET 0 22.897 4.152 3.273 9 1HE MET 0 1HE MET 0 24.251 2.412 4.262 10 2HE MET 0 2HE MET 0 24.177 1.718 2.641 11 3HE MET 0 3HE MET 0 25.705 1.740 3.523 12 H GLN 1 H GLN 1 23.226 9.699 3.147 13 HA GLN 1 HA GLN 1 25.957 9.369 4.207 14 1HB GLN 1 1HB GLN 1 24.975 11.886 2.885 15 2HB GLN 1 2HB GLN 1 26.632 11.379 3.184 16 1HG GLN 1 1HG GLN 1 26.075 9.439 1.569 17 2HG GLN 1 2HG GLN 1 24.731 10.466 1.071 18 1HE2 GLN 1 2HE2 GLN 1 25.667 12.917 0.985 19 2HE2 GLN 1 1HE2 GLN 1 27.007 13.065 -0.095 20 H HIS 2 H HIS 2 22.830 10.850 4.584 21 HA HIS 2 HA HIS 2 23.588 11.666 7.290 22 1HB HIS 2 1HB HIS 2 23.638 13.604 5.544 23 2HB HIS 2 2HB HIS 2 21.884 13.509 5.647 24 HD1 HIS 2 HD1 HIS 2 24.459 13.324 8.438 25 HD2 HIS 2 HD2 HIS 2 21.216 15.615 7.214 26 HE1 HIS 2 HE1 HIS 2 24.089 15.003 10.275 27 HE2 HIS 2 HE2 HIS 2 22.067 16.320 9.551 28 H HIS 3 H HIS 3 21.538 12.391 8.517 29 HA HIS 3 HA HIS 3 19.673 11.523 9.539 30 1HB HIS 3 1HB HIS 3 18.950 12.349 6.784 31 2HB HIS 3 2HB HIS 3 17.746 11.416 7.666 32 HD1 HIS 3 HD1 HIS 3 18.974 14.791 7.225 33 HD2 HIS 3 HD2 HIS 3 17.054 12.676 10.243 34 HE1 HIS 3 HE1 HIS 3 18.020 16.535 8.767 35 HE2 HIS 3 HE2 HIS 3 16.932 15.231 10.627 36 H GLY 4 H GLY 4 18.739 10.100 6.480 37 1HA GLY 4 1HA GLY 4 19.698 7.478 7.033 38 2HA GLY 4 2HA GLY 4 18.014 7.638 7.509 39 H VAL 5 H VAL 5 18.662 5.813 5.612 40 HA VAL 5 HA VAL 5 17.606 7.044 3.152 41 HB VAL 5 HB VAL 5 20.005 6.340 2.944 42 1HG1 VAL 5 1HG1 VAL 5 19.077 4.033 4.231 43 2HG1 VAL 5 2HG1 VAL 5 19.487 3.536 2.589 44 3HG1 VAL 5 3HG1 VAL 5 20.695 4.332 3.597 45 1HG2 VAL 5 1HG2 VAL 5 17.800 5.802 1.208 46 2HG2 VAL 5 2HG2 VAL 5 19.451 6.264 0.796 47 3HG2 VAL 5 3HG2 VAL 5 19.032 4.561 0.987 48 H THR 6 H THR 6 15.969 5.982 2.116 49 HA THR 6 HA THR 6 14.861 3.654 3.527 50 HB THR 6 HB THR 6 13.376 5.582 3.484 51 HG1 THR 6 HG1 THR 6 11.595 4.563 2.520 52 1HG2 THR 6 1HG2 THR 6 14.362 6.406 1.219 53 2HG2 THR 6 2HG2 THR 6 13.078 5.414 0.529 54 3HG2 THR 6 3HG2 THR 6 12.678 6.730 1.632 55 H LYS 7 H LYS 7 16.503 4.501 0.740 56 HA LYS 7 HA LYS 7 16.949 3.453 -1.233 57 1HB LYS 7 1HB LYS 7 17.384 1.627 0.560 58 2HB LYS 7 2HB LYS 7 15.890 0.911 -0.028 59 1HG LYS 7 1HG LYS 7 16.952 -0.009 -1.737 60 2HG LYS 7 2HG LYS 7 17.575 1.562 -2.247 61 1HD LYS 7 1HD LYS 7 19.402 1.323 -0.589 62 2HD LYS 7 2HD LYS 7 18.803 -0.294 -0.209 63 1HE LYS 7 1HE LYS 7 19.053 -0.760 -2.718 64 2HE LYS 7 2HE LYS 7 20.031 0.707 -2.759 65 1HZ LYS 7 1HZ LYS 7 21.492 -0.278 -1.091 66 2HZ LYS 7 2HZ LYS 7 20.565 -1.694 -1.095 67 3HZ LYS 7 3HZ LYS 7 21.416 -1.238 -2.483 68 H CYS 8 H CYS 8 15.388 4.480 -2.479 69 HA CYS 8 HA CYS 8 13.683 4.530 -3.991 70 1HB CYS 8 1HB CYS 8 14.260 2.188 -4.489 71 2HB CYS 8 2HB CYS 8 13.226 1.652 -3.168 72 H ASN 9 H ASN 9 12.211 5.915 -3.268 73 HA ASN 9 HA ASN 9 10.921 6.238 -0.989 74 1HB ASN 9 1HB ASN 9 9.049 7.244 -2.151 75 2HB ASN 9 2HB ASN 9 10.534 7.605 -3.028 76 1HD2 ASN 9 2HD2 ASN 9 11.059 5.925 -4.757 77 2HD2 ASN 9 1HD2 ASN 9 9.739 5.437 -5.758 78 H ILE 10 H ILE 10 9.930 3.825 -3.387 79 HA ILE 10 HA ILE 10 8.430 2.459 -1.263 80 HB ILE 10 HB ILE 10 6.850 3.712 -2.728 81 1HG1 ILE 10 1HG1 ILE 10 6.353 0.816 -3.237 82 2HG1 ILE 10 2HG1 ILE 10 6.538 1.340 -1.566 83 1HG2 ILE 10 1HG2 ILE 10 8.458 2.804 -4.775 84 2HG2 ILE 10 2HG2 ILE 10 7.005 1.815 -4.924 85 3HG2 ILE 10 3HG2 ILE 10 6.882 3.574 -4.953 86 1HD1 ILE 10 1HD1 ILE 10 4.772 3.088 -2.100 87 2HD1 ILE 10 2HD1 ILE 10 4.453 2.140 -3.554 88 3HD1 ILE 10 3HD1 ILE 10 4.250 1.410 -1.960 89 H THR 11 H THR 11 9.253 0.505 -0.998 90 HA THR 11 HA THR 11 10.356 -0.893 -3.346 91 HB THR 11 HB THR 11 11.908 -0.209 -1.390 92 HG1 THR 11 HG1 THR 11 12.094 -2.020 -3.098 93 1HG2 THR 11 1HG2 THR 11 10.149 -1.398 0.227 94 2HG2 THR 11 2HG2 THR 11 11.204 -2.768 -0.111 95 3HG2 THR 11 3HG2 THR 11 11.872 -1.291 0.583 96 H CYS 12 H CYS 12 9.583 -2.866 -3.847 97 HA CYS 12 HA CYS 12 7.422 -3.915 -2.165 98 1HB CYS 12 1HB CYS 12 8.082 -4.864 -4.944 99 2HB CYS 12 2HB CYS 12 6.551 -4.973 -4.083 100 H SER 13 H SER 13 9.344 -4.608 -0.752 101 HA SER 13 HA SER 13 10.899 -6.841 -1.617 102 1HB SER 13 1HB SER 13 10.855 -6.853 1.187 103 2HB SER 13 2HB SER 13 12.081 -6.128 0.149 104 HG SER 13 HG SER 13 10.737 -4.820 1.818 105 H LYS 14 H LYS 14 7.826 -6.424 -0.023 106 HA LYS 14 HA LYS 14 7.410 -9.323 -0.166 107 1HB LYS 14 1HB LYS 14 7.348 -7.626 2.243 108 2HB LYS 14 2HB LYS 14 5.964 -8.692 2.056 109 1HG LYS 14 1HG LYS 14 8.855 -9.529 2.093 110 2HG LYS 14 2HG LYS 14 7.685 -9.740 3.398 111 1HD LYS 14 1HD LYS 14 6.903 -11.615 2.483 112 2HD LYS 14 2HD LYS 14 6.675 -10.821 0.922 113 1HE LYS 14 1HE LYS 14 8.311 -12.134 0.164 114 2HE LYS 14 2HE LYS 14 9.413 -11.127 1.101 115 1HZ LYS 14 1HZ LYS 14 8.086 -13.268 2.551 116 2HZ LYS 14 2HZ LYS 14 9.229 -13.752 1.403 117 3HZ LYS 14 3HZ LYS 14 9.680 -12.712 2.659 118 H MET 15 H MET 15 4.919 -9.678 0.499 119 HA MET 15 HA MET 15 3.399 -7.803 -1.191 120 1HB MET 15 1HB MET 15 3.307 -10.766 -0.869 121 2HB MET 15 2HB MET 15 1.805 -9.926 -1.233 122 1HG MET 15 1HG MET 15 2.723 -10.636 -3.290 123 2HG MET 15 2HG MET 15 2.963 -8.893 -3.195 124 1HE MET 15 1HE MET 15 5.076 -7.701 -3.208 125 2HE MET 15 2HE MET 15 6.528 -8.433 -3.892 126 3HE MET 15 3HE MET 15 5.016 -8.457 -4.801 127 H THR 16 H THR 16 1.764 -6.712 -0.308 128 HA THR 16 HA THR 16 1.237 -6.891 2.480 129 HB THR 16 HB THR 16 1.046 -4.850 0.880 130 HG1 THR 16 HG1 THR 16 0.235 -5.241 3.220 131 1HG2 THR 16 1HG2 THR 16 -0.978 -6.312 -0.254 132 2HG2 THR 16 2HG2 THR 16 -1.835 -5.185 0.800 133 3HG2 THR 16 3HG2 THR 16 -0.725 -4.576 -0.428 134 H SER 17 H SER 17 -1.418 -6.632 2.864 135 HA SER 17 HA SER 17 -2.437 -9.272 2.064 136 1HB SER 17 1HB SER 17 -2.977 -7.547 4.480 137 2HB SER 17 2HB SER 17 -3.998 -8.923 4.059 138 HG SER 17 HG SER 17 -2.257 -10.278 4.329 139 H LYS 18 H LYS 18 -5.040 -9.165 2.405 140 HA LYS 18 HA LYS 18 -6.003 -7.788 0.158 141 1HB LYS 18 1HB LYS 18 -6.944 -9.824 1.652 142 2HB LYS 18 2HB LYS 18 -7.952 -8.520 2.265 143 1HG LYS 18 1HG LYS 18 -8.160 -8.118 -0.406 144 2HG LYS 18 2HG LYS 18 -7.987 -9.872 -0.336 145 1HD LYS 18 1HD LYS 18 -10.165 -9.964 0.122 146 2HD LYS 18 2HD LYS 18 -9.776 -9.274 1.700 147 1HE LYS 18 1HE LYS 18 -9.828 -7.090 -0.007 148 2HE LYS 18 2HE LYS 18 -11.173 -8.093 -0.549 149 1HZ LYS 18 1HZ LYS 18 -11.810 -8.191 1.891 150 2HZ LYS 18 2HZ LYS 18 -10.734 -6.908 2.123 151 3HZ LYS 18 3HZ LYS 18 -12.063 -6.720 1.094 152 H ILE 19 H ILE 19 -7.509 -6.059 0.009 153 HA ILE 19 HA ILE 19 -7.897 -4.366 2.342 154 HB ILE 19 HB ILE 19 -6.451 -3.368 -0.115 155 1HG1 ILE 19 1HG1 ILE 19 -5.505 -3.412 2.754 156 2HG1 ILE 19 2HG1 ILE 19 -5.112 -4.674 1.589 157 1HG2 ILE 19 1HG2 ILE 19 -8.214 -1.876 1.105 158 2HG2 ILE 19 2HG2 ILE 19 -6.937 -1.704 2.309 159 3HG2 ILE 19 3HG2 ILE 19 -6.647 -1.208 0.643 160 1HD1 ILE 19 1HD1 ILE 19 -4.300 -2.573 0.185 161 2HD1 ILE 19 2HD1 ILE 19 -4.098 -1.910 1.807 162 3HD1 ILE 19 3HD1 ILE 19 -3.267 -3.395 1.353 163 HA PRO 20 HA PRO 20 -11.887 -3.676 0.594 164 1HB PRO 20 1HB PRO 20 -12.049 -0.953 1.232 165 2HB PRO 20 2HB PRO 20 -12.572 -2.292 2.254 166 1HG PRO 20 1HG PRO 20 -10.016 -0.751 2.316 167 2HG PRO 20 2HG PRO 20 -10.964 -1.410 3.659 168 1HD PRO 20 1HD PRO 20 -8.723 -2.596 2.856 169 2HD PRO 20 2HD PRO 20 -10.138 -3.551 3.335 170 H VAL 21 H VAL 21 -12.467 -3.316 -1.456 171 HA VAL 21 HA VAL 21 -10.758 -1.993 -3.297 172 HB VAL 21 HB VAL 21 -12.423 -3.865 -3.809 173 1HG1 VAL 21 1HG1 VAL 21 -14.362 -2.744 -2.748 174 2HG1 VAL 21 2HG1 VAL 21 -14.331 -1.544 -4.042 175 3HG1 VAL 21 3HG1 VAL 21 -14.666 -3.234 -4.414 176 1HG2 VAL 21 1HG2 VAL 21 -11.155 -2.214 -5.418 177 2HG2 VAL 21 2HG2 VAL 21 -12.360 -3.346 -6.034 178 3HG2 VAL 21 3HG2 VAL 21 -12.792 -1.657 -5.764 179 H ALA 22 H ALA 22 -13.709 -1.068 -1.607 180 HA ALA 22 HA ALA 22 -14.014 1.420 -2.997 181 1HB ALA 22 1HB ALA 22 -15.698 -0.105 -1.530 182 2HB ALA 22 2HB ALA 22 -15.281 1.143 -0.357 183 3HB ALA 22 3HB ALA 22 -15.979 1.592 -1.913 184 H LEU 23 H LEU 23 -11.663 0.466 -1.000 185 HA LEU 23 HA LEU 23 -11.479 2.987 0.481 186 1HB LEU 23 1HB LEU 23 -10.633 0.229 0.946 187 2HB LEU 23 2HB LEU 23 -9.392 1.407 1.320 188 HG LEU 23 HG LEU 23 -11.281 2.573 2.677 189 1HD1 LEU 23 1HD1 LEU 23 -12.852 0.670 1.673 190 2HD1 LEU 23 2HD1 LEU 23 -12.345 -0.121 3.165 191 3HD1 LEU 23 3HD1 LEU 23 -13.144 1.448 3.228 192 1HD2 LEU 23 1HD2 LEU 23 -9.286 0.675 3.301 193 2HD2 LEU 23 2HD2 LEU 23 -9.965 1.936 4.332 194 3HD2 LEU 23 3HD2 LEU 23 -10.696 0.330 4.303 195 H LEU 24 H LEU 24 -10.359 1.479 -2.304 196 HA LEU 24 HA LEU 24 -7.730 2.707 -2.301 197 1HB LEU 24 1HB LEU 24 -9.233 0.963 -4.231 198 2HB LEU 24 2HB LEU 24 -7.753 1.769 -4.709 199 HG LEU 24 HG LEU 24 -7.843 0.001 -2.281 200 1HD1 LEU 24 1HD1 LEU 24 -7.323 -0.840 -5.129 201 2HD1 LEU 24 2HD1 LEU 24 -7.028 -1.831 -3.701 202 3HD1 LEU 24 3HD1 LEU 24 -8.673 -1.349 -4.114 203 1HD2 LEU 24 1HD2 LEU 24 -5.677 1.009 -4.113 204 2HD2 LEU 24 2HD2 LEU 24 -5.897 1.354 -2.398 205 3HD2 LEU 24 3HD2 LEU 24 -5.425 -0.264 -2.919 206 H ILE 25 H ILE 25 -7.107 4.456 -3.521 207 HA ILE 25 HA ILE 25 -9.279 5.915 -4.881 208 HB ILE 25 HB ILE 25 -8.181 8.007 -4.264 209 1HG1 ILE 25 1HG1 ILE 25 -6.320 6.358 -2.546 210 2HG1 ILE 25 2HG1 ILE 25 -5.870 6.976 -4.133 211 1HG2 ILE 25 1HG2 ILE 25 -9.823 6.656 -2.743 212 2HG2 ILE 25 2HG2 ILE 25 -8.414 6.518 -1.691 213 3HG2 ILE 25 3HG2 ILE 25 -9.034 8.109 -2.131 214 1HD1 ILE 25 1HD1 ILE 25 -6.789 8.738 -1.884 215 2HD1 ILE 25 2HD1 ILE 25 -5.099 8.336 -2.183 216 3HD1 ILE 25 3HD1 ILE 25 -6.024 9.219 -3.399 217 H HIS 26 H HIS 26 -5.840 5.108 -4.905 218 HA HIS 26 HA HIS 26 -5.815 5.628 -7.784 219 1HB HIS 26 1HB HIS 26 -4.402 7.197 -5.793 220 2HB HIS 26 2HB HIS 26 -3.291 6.471 -6.951 221 HD1 HIS 26 HD1 HIS 26 -6.567 7.247 -8.387 222 HD2 HIS 26 HD2 HIS 26 -2.942 9.203 -7.850 223 HE1 HIS 26 HE1 HIS 26 -6.643 9.235 -9.924 224 HE2 HIS 26 HE2 HIS 26 -4.476 10.453 -9.514 225 H TYR 27 H TYR 27 -4.418 4.363 -8.966 226 HA TYR 27 HA TYR 27 -2.772 2.422 -7.504 227 1HB TYR 27 1HB TYR 27 -3.689 0.564 -8.549 228 2HB TYR 27 2HB TYR 27 -5.116 1.566 -8.305 229 HD1 TYR 27 HD1 TYR 27 -5.830 3.075 -10.286 230 HD2 TYR 27 HD2 TYR 27 -3.174 -0.235 -10.678 231 HE1 TYR 27 HE1 TYR 27 -6.311 2.983 -12.700 232 HE2 TYR 27 HE2 TYR 27 -3.647 -0.337 -13.093 233 HH TYR 27 HH TYR 27 -5.339 0.346 -14.670 234 H GLN 28 H GLN 28 -0.791 2.165 -8.352 235 HA GLN 28 HA GLN 28 -0.343 2.846 -11.158 236 1HB GLN 28 1HB GLN 28 1.888 3.932 -10.116 237 2HB GLN 28 2HB GLN 28 0.438 4.858 -10.481 238 1HG GLN 28 1HG GLN 28 0.266 3.703 -7.859 239 2HG GLN 28 2HG GLN 28 1.747 4.643 -8.031 240 1HE2 GLN 28 2HE2 GLN 28 -0.552 5.222 -6.391 241 2HE2 GLN 28 1HE2 GLN 28 -1.167 6.748 -6.916 242 H GLN 29 H GLN 29 2.064 2.367 -11.715 243 HA GLN 29 HA GLN 29 2.605 -0.330 -10.718 244 1HB GLN 29 1HB GLN 29 2.789 0.943 -13.272 245 2HB GLN 29 2HB GLN 29 4.388 0.375 -12.813 246 1HG GLN 29 1HG GLN 29 3.839 -1.773 -13.092 247 2HG GLN 29 2HG GLN 29 2.255 -1.566 -12.344 248 1HE2 GLN 29 2HE2 GLN 29 0.523 -0.800 -13.635 249 2HE2 GLN 29 1HE2 GLN 29 0.543 -1.004 -15.351 250 H ASN 30 H ASN 30 4.434 -0.887 -9.654 251 HA ASN 30 HA ASN 30 5.970 1.185 -8.434 252 1HB ASN 30 1HB ASN 30 6.953 -0.497 -7.137 253 2HB ASN 30 2HB ASN 30 5.349 -1.137 -7.481 254 1HD2 ASN 30 2HD2 ASN 30 8.365 -2.079 -7.149 255 2HD2 ASN 30 1HD2 ASN 30 8.450 -3.363 -8.301 256 H GLN 31 H GLN 31 8.528 0.374 -8.314 257 HA GLN 31 HA GLN 31 9.453 0.806 -11.061 258 1HB GLN 31 1HB GLN 31 10.792 1.232 -8.389 259 2HB GLN 31 2HB GLN 31 11.624 1.409 -9.928 260 1HG GLN 31 1HG GLN 31 10.275 3.247 -10.552 261 2HG GLN 31 2HG GLN 31 9.149 2.957 -9.226 262 1HE2 GLN 31 2HE2 GLN 31 12.687 3.071 -9.304 263 2HE2 GLN 31 1HE2 GLN 31 12.846 4.342 -8.144 264 H ALA 32 H ALA 32 10.862 -0.554 -12.079 265 HA ALA 32 HA ALA 32 10.955 -3.257 -11.176 266 1HB ALA 32 1HB ALA 32 11.178 -2.003 -13.616 267 2HB ALA 32 2HB ALA 32 12.810 -2.608 -13.322 268 3HB ALA 32 3HB ALA 32 11.440 -3.720 -13.305 269 H SER 33 H SER 33 12.738 -0.624 -10.270 270 HA SER 33 HA SER 33 15.176 -2.197 -9.801 271 1HB SER 33 1HB SER 33 16.403 -0.287 -9.990 272 2HB SER 33 2HB SER 33 14.993 0.273 -10.889 273 HG SER 33 HG SER 33 15.774 0.856 -8.253 274 H CYS 34 H CYS 34 12.488 -1.995 -8.274 275 HA CYS 34 HA CYS 34 13.737 -1.760 -5.627 276 1HB CYS 34 1HB CYS 34 10.944 -0.766 -6.180 277 2HB CYS 34 2HB CYS 34 11.915 -0.525 -4.729 278 H GLY 35 H GLY 35 13.639 -3.716 -4.746 279 1HA GLY 35 1HA GLY 35 12.883 -5.807 -4.167 280 2HA GLY 35 2HA GLY 35 11.313 -5.029 -4.039 281 H LYS 36 H LYS 36 10.062 -6.638 -4.876 282 HA LYS 36 HA LYS 36 10.764 -7.820 -7.441 283 1HB LYS 36 1HB LYS 36 8.600 -8.363 -5.421 284 2HB LYS 36 2HB LYS 36 8.569 -9.093 -7.020 285 1HG LYS 36 1HG LYS 36 9.687 -10.747 -5.999 286 2HG LYS 36 2HG LYS 36 11.084 -9.701 -6.269 287 1HD LYS 36 1HD LYS 36 11.421 -9.706 -4.070 288 2HD LYS 36 2HD LYS 36 9.920 -8.792 -3.895 289 1HE LYS 36 1HE LYS 36 8.904 -10.524 -2.940 290 2HE LYS 36 2HE LYS 36 9.358 -11.587 -4.271 291 1HZ LYS 36 1HZ LYS 36 11.277 -10.880 -2.138 292 2HZ LYS 36 2HZ LYS 36 10.198 -12.172 -1.962 293 3HZ LYS 36 3HZ LYS 36 11.332 -12.183 -3.215 294 H ARG 37 H ARG 37 9.370 -7.778 -9.265 295 HA ARG 37 HA ARG 37 8.232 -5.233 -9.785 296 1HB ARG 37 1HB ARG 37 8.624 -7.757 -11.263 297 2HB ARG 37 2HB ARG 37 7.269 -6.775 -11.802 298 1HG ARG 37 1HG ARG 37 9.230 -4.908 -11.596 299 2HG ARG 37 2HG ARG 37 10.148 -6.334 -12.084 300 1HD ARG 37 1HD ARG 37 7.758 -5.155 -13.496 301 2HD ARG 37 2HD ARG 37 9.434 -5.097 -14.039 302 HE ARG 37 HE ARG 37 8.565 -7.776 -13.661 303 1HH1 ARG 37 1HH1 ARG 37 8.339 -5.070 -15.839 304 2HH1 ARG 37 2HH1 ARG 37 8.059 -6.052 -17.238 305 1HH2 ARG 37 1HH2 ARG 37 8.199 -9.081 -15.495 306 2HH2 ARG 37 2HH2 ARG 37 7.980 -8.334 -17.043 307 H ALA 38 H ALA 38 6.632 -4.943 -8.185 308 HA ALA 38 HA ALA 38 4.211 -6.582 -8.552 309 1HB ALA 38 1HB ALA 38 5.592 -6.144 -6.227 310 2HB ALA 38 2HB ALA 38 4.302 -4.947 -6.138 311 3HB ALA 38 3HB ALA 38 3.908 -6.655 -6.337 312 H ILE 39 H ILE 39 2.492 -4.847 -7.129 313 HA ILE 39 HA ILE 39 2.343 -2.562 -8.987 314 HB ILE 39 HB ILE 39 0.115 -4.192 -7.773 315 1HG1 ILE 39 1HG1 ILE 39 1.427 -4.799 -9.976 316 2HG1 ILE 39 2HG1 ILE 39 -0.323 -4.964 -9.903 317 1HG2 ILE 39 1HG2 ILE 39 -0.030 -1.577 -9.260 318 2HG2 ILE 39 2HG2 ILE 39 -1.414 -2.629 -8.962 319 3HG2 ILE 39 3HG2 ILE 39 -0.553 -1.899 -7.606 320 1HD1 ILE 39 1HD1 ILE 39 -0.452 -2.658 -10.914 321 2HD1 ILE 39 2HD1 ILE 39 1.282 -2.793 -11.210 322 3HD1 ILE 39 3HD1 ILE 39 0.166 -3.936 -11.959 323 H ILE 40 H ILE 40 1.448 -0.596 -8.171 324 HA ILE 40 HA ILE 40 1.867 -0.281 -5.279 325 HB ILE 40 HB ILE 40 1.893 1.806 -7.461 326 1HG1 ILE 40 1HG1 ILE 40 3.887 0.542 -7.650 327 2HG1 ILE 40 2HG1 ILE 40 4.332 1.970 -6.720 328 1HG2 ILE 40 1HG2 ILE 40 1.371 2.117 -4.732 329 2HG2 ILE 40 2HG2 ILE 40 3.041 2.632 -4.959 330 3HG2 ILE 40 3HG2 ILE 40 1.751 3.380 -5.901 331 1HD1 ILE 40 1HD1 ILE 40 3.942 0.522 -4.656 332 2HD1 ILE 40 2HD1 ILE 40 3.972 -0.844 -5.772 333 3HD1 ILE 40 3HD1 ILE 40 5.381 0.207 -5.626 334 H LEU 41 H LEU 41 0.057 -0.282 -4.126 335 HA LEU 41 HA LEU 41 -2.394 0.801 -5.331 336 1HB LEU 41 1HB LEU 41 -1.906 -1.208 -3.156 337 2HB LEU 41 2HB LEU 41 -3.461 -0.415 -3.323 338 HG LEU 41 HG LEU 41 -2.117 -2.210 -5.340 339 1HD1 LEU 41 1HD1 LEU 41 -4.369 -2.497 -3.417 340 2HD1 LEU 41 2HD1 LEU 41 -4.456 -3.342 -4.964 341 3HD1 LEU 41 3HD1 LEU 41 -3.109 -3.648 -3.865 342 1HD2 LEU 41 1HD2 LEU 41 -4.277 -0.224 -5.627 343 2HD2 LEU 41 2HD2 LEU 41 -3.167 -0.880 -6.830 344 3HD2 LEU 41 3HD2 LEU 41 -4.581 -1.811 -6.336 345 H GLU 42 H GLU 42 -3.165 2.674 -4.642 346 HA GLU 42 HA GLU 42 -2.197 3.731 -2.070 347 1HB GLU 42 1HB GLU 42 -1.431 5.120 -3.864 348 2HB GLU 42 2HB GLU 42 -3.025 5.146 -4.605 349 1HG GLU 42 1HG GLU 42 -3.877 6.612 -3.020 350 2HG GLU 42 2HG GLU 42 -2.599 6.251 -1.860 351 H THR 43 H THR 43 -3.643 4.175 -0.519 352 HA THR 43 HA THR 43 -6.488 3.868 -1.190 353 HB THR 43 HB THR 43 -6.860 3.262 1.097 354 HG1 THR 43 HG1 THR 43 -5.449 3.625 2.670 355 1HG2 THR 43 1HG2 THR 43 -4.453 1.954 -0.098 356 2HG2 THR 43 2HG2 THR 43 -5.077 1.463 1.478 357 3HG2 THR 43 3HG2 THR 43 -6.100 1.341 0.047 358 H ARG 44 H ARG 44 -8.015 5.174 0.154 359 HA ARG 44 HA ARG 44 -7.534 7.922 -0.220 360 1HB ARG 44 1HB ARG 44 -9.641 8.220 1.108 361 2HB ARG 44 2HB ARG 44 -9.786 7.129 -0.263 362 1HG ARG 44 1HG ARG 44 -9.262 5.297 1.537 363 2HG ARG 44 2HG ARG 44 -9.849 6.534 2.651 364 1HD ARG 44 1HD ARG 44 -11.603 4.944 1.858 365 2HD ARG 44 2HD ARG 44 -11.957 6.641 1.534 366 HE ARG 44 HE ARG 44 -10.681 5.183 -0.623 367 1HH1 ARG 44 1HH1 ARG 44 -13.651 6.303 0.804 368 2HH1 ARG 44 2HH1 ARG 44 -14.558 6.180 -0.667 369 1HH2 ARG 44 1HH2 ARG 44 -11.863 5.015 -2.568 370 2HH2 ARG 44 2HH2 ARG 44 -13.541 5.446 -2.585 371 H GLN 45 H GLN 45 -6.484 5.848 2.209 372 HA GLN 45 HA GLN 45 -6.212 8.026 4.160 373 1HB GLN 45 1HB GLN 45 -6.204 5.036 4.387 374 2HB GLN 45 2HB GLN 45 -5.435 6.013 5.629 375 1HG GLN 45 1HG GLN 45 -7.399 6.275 6.601 376 2HG GLN 45 2HG GLN 45 -7.962 7.151 5.178 377 1HE2 GLN 45 2HE2 GLN 45 -9.334 5.297 7.040 378 2HE2 GLN 45 1HE2 GLN 45 -10.030 4.077 6.033 379 H HIS 46 H HIS 46 -4.580 7.627 1.704 380 HA HIS 46 HA HIS 46 -2.411 7.780 1.043 381 1HB HIS 46 1HB HIS 46 -1.956 8.482 3.952 382 2HB HIS 46 2HB HIS 46 -0.812 8.759 2.641 383 HD1 HIS 46 HD1 HIS 46 -1.673 10.496 0.749 384 HD2 HIS 46 HD2 HIS 46 -3.729 10.509 4.361 385 HE1 HIS 46 HE1 HIS 46 -2.937 12.669 0.796 386 HE2 HIS 46 HE2 HIS 46 -4.107 12.691 3.027 387 H ARG 47 H ARG 47 -3.213 5.223 1.434 388 HA ARG 47 HA ARG 47 -1.025 3.919 2.900 389 1HB ARG 47 1HB ARG 47 -3.573 3.380 3.228 390 2HB ARG 47 2HB ARG 47 -3.361 2.429 1.764 391 1HG ARG 47 1HG ARG 47 -1.252 1.569 3.205 392 2HG ARG 47 2HG ARG 47 -2.396 1.940 4.496 393 1HD ARG 47 1HD ARG 47 -3.254 0.340 2.116 394 2HD ARG 47 2HD ARG 47 -2.391 -0.429 3.448 395 HE ARG 47 HE ARG 47 -4.739 1.141 4.144 396 1HH1 ARG 47 1HH1 ARG 47 -3.367 -2.005 3.526 397 2HH1 ARG 47 2HH1 ARG 47 -4.633 -2.857 4.345 398 1HH2 ARG 47 1HH2 ARG 47 -6.407 0.023 5.222 399 2HH2 ARG 47 2HH2 ARG 47 -6.361 -1.707 5.307 400 H LEU 48 H LEU 48 0.679 3.588 1.627 401 HA LEU 48 HA LEU 48 0.223 2.696 -1.139 402 1HB LEU 48 1HB LEU 48 2.769 3.808 0.037 403 2HB LEU 48 2HB LEU 48 2.435 3.497 -1.656 404 HG LEU 48 HG LEU 48 1.111 5.606 0.051 405 1HD1 LEU 48 1HD1 LEU 48 3.151 5.772 -2.160 406 2HD1 LEU 48 2HD1 LEU 48 2.280 7.155 -1.498 407 3HD1 LEU 48 3HD1 LEU 48 3.368 6.224 -0.469 408 1HD2 LEU 48 1HD2 LEU 48 0.571 4.575 -2.688 409 2HD2 LEU 48 2HD2 LEU 48 -0.552 5.135 -1.448 410 3HD2 LEU 48 3HD2 LEU 48 0.386 6.301 -2.382 411 H PHE 49 H PHE 49 0.165 0.526 -1.130 412 HA PHE 49 HA PHE 49 2.432 -0.876 0.121 413 1HB PHE 49 1HB PHE 49 -0.492 -1.530 0.194 414 2HB PHE 49 2HB PHE 49 0.698 -2.823 0.300 415 HD1 PHE 49 HD1 PHE 49 2.371 -2.786 2.172 416 HD2 PHE 49 HD2 PHE 49 -0.999 -0.176 2.044 417 HE1 PHE 49 HE1 PHE 49 2.615 -2.359 4.589 418 HE2 PHE 49 HE2 PHE 49 -0.759 0.256 4.460 419 HZ PHE 49 HZ PHE 49 1.049 -0.836 5.734 420 H CYS 50 H CYS 50 3.371 -2.517 -1.035 421 HA CYS 50 HA CYS 50 2.814 -2.540 -3.873 422 1HB CYS 50 1HB CYS 50 4.977 -3.670 -2.130 423 2HB CYS 50 2HB CYS 50 4.790 -4.249 -3.782 424 H ALA 51 H ALA 51 1.110 -3.728 -4.487 425 HA ALA 51 HA ALA 51 0.776 -6.407 -3.317 426 1HB ALA 51 1HB ALA 51 -1.102 -4.679 -3.188 427 2HB ALA 51 2HB ALA 51 -1.313 -4.960 -4.916 428 3HB ALA 51 3HB ALA 51 -1.518 -6.290 -3.776 429 H ASP 52 H ASP 52 1.370 -8.073 -4.519 430 HA ASP 52 HA ASP 52 2.274 -7.850 -7.172 431 1HB ASP 52 1HB ASP 52 2.210 -9.850 -5.156 432 2HB ASP 52 2HB ASP 52 1.517 -10.554 -6.614 433 HA PRO 53 HA PRO 53 -1.459 -7.832 -9.537 434 1HB PRO 53 1HB PRO 53 0.165 -9.310 -11.537 435 2HB PRO 53 2HB PRO 53 -0.734 -7.799 -11.712 436 1HG PRO 53 1HG PRO 53 1.928 -7.798 -11.563 437 2HG PRO 53 2HG PRO 53 0.966 -6.525 -10.790 438 1HD PRO 53 1HD PRO 53 2.331 -8.882 -9.560 439 2HD PRO 53 2HD PRO 53 2.159 -7.228 -8.939 440 H LYS 54 H LYS 54 0.392 -10.743 -8.963 441 HA LYS 54 HA LYS 54 -1.451 -12.597 -10.042 442 1HB LYS 54 1HB LYS 54 0.767 -12.824 -8.024 443 2HB LYS 54 2HB LYS 54 -0.252 -14.202 -8.419 444 1HG LYS 54 1HG LYS 54 1.100 -12.677 -10.600 445 2HG LYS 54 2HG LYS 54 2.003 -13.860 -9.652 446 1HD LYS 54 1HD LYS 54 0.661 -15.634 -10.371 447 2HD LYS 54 2HD LYS 54 -0.632 -14.558 -10.906 448 1HE LYS 54 1HE LYS 54 0.501 -15.422 -12.839 449 2HE LYS 54 2HE LYS 54 0.879 -13.707 -12.680 450 1HZ LYS 54 1HZ LYS 54 2.879 -14.832 -11.301 451 2HZ LYS 54 2HZ LYS 54 2.622 -16.008 -12.490 452 3HZ LYS 54 3HZ LYS 54 2.975 -14.415 -12.938 453 H GLU 55 H GLU 55 -1.286 -10.898 -7.013 454 HA GLU 55 HA GLU 55 -2.990 -12.567 -5.500 455 1HB GLU 55 1HB GLU 55 -2.489 -9.594 -5.248 456 2HB GLU 55 2HB GLU 55 -3.263 -10.600 -4.032 457 1HG GLU 55 1HG GLU 55 -1.255 -11.820 -3.651 458 2HG GLU 55 2HG GLU 55 -0.465 -11.054 -5.028 459 H GLN 56 H GLN 56 -5.137 -12.817 -5.512 460 HA GLN 56 HA GLN 56 -6.755 -11.884 -7.561 461 1HB GLN 56 1HB GLN 56 -7.167 -13.831 -5.961 462 2HB GLN 56 2HB GLN 56 -7.806 -12.639 -4.839 463 1HG GLN 56 1HG GLN 56 -8.878 -13.412 -7.533 464 2HG GLN 56 2HG GLN 56 -9.658 -13.564 -5.960 465 1HE2 GLN 56 2HE2 GLN 56 -8.684 -11.351 -8.476 466 2HE2 GLN 56 1HE2 GLN 56 -9.703 -10.040 -7.995 467 H TRP 57 H TRP 57 -6.933 -10.834 -4.146 468 HA TRP 57 HA TRP 57 -8.740 -8.816 -4.381 469 1HB TRP 57 1HB TRP 57 -8.024 -8.040 -2.329 470 2HB TRP 57 2HB TRP 57 -7.363 -9.669 -2.323 471 HD1 TRP 57 HD1 TRP 57 -4.695 -9.912 -2.599 472 HE1 TRP 57 HE1 TRP 57 -2.783 -8.250 -2.151 473 HE3 TRP 57 HE3 TRP 57 -7.409 -5.577 -2.444 474 HZ2 TRP 57 HZ2 TRP 57 -2.465 -5.464 -1.779 475 HZ3 TRP 57 HZ3 TRP 57 -6.227 -3.455 -2.035 476 HH2 TRP 57 HH2 TRP 57 -3.804 -3.400 -1.706 477 H VAL 58 H VAL 58 -5.542 -8.844 -5.693 478 HA VAL 58 HA VAL 58 -5.486 -5.966 -6.096 479 HB VAL 58 HB VAL 58 -3.567 -8.079 -7.087 480 1HG1 VAL 58 1HG1 VAL 58 -3.771 -5.718 -8.208 481 2HG1 VAL 58 2HG1 VAL 58 -2.876 -5.196 -6.780 482 3HG1 VAL 58 3HG1 VAL 58 -2.187 -6.412 -7.857 483 1HG2 VAL 58 1HG2 VAL 58 -3.786 -7.843 -4.588 484 2HG2 VAL 58 2HG2 VAL 58 -2.173 -7.555 -5.241 485 3HG2 VAL 58 3HG2 VAL 58 -3.191 -6.194 -4.771 486 H LYS 59 H LYS 59 -5.646 -8.901 -8.107 487 HA LYS 59 HA LYS 59 -5.770 -7.719 -10.608 488 1HB LYS 59 1HB LYS 59 -7.291 -10.158 -9.661 489 2HB LYS 59 2HB LYS 59 -6.987 -9.733 -11.339 490 1HG LYS 59 1HG LYS 59 -4.546 -9.915 -10.865 491 2HG LYS 59 2HG LYS 59 -4.963 -10.539 -9.267 492 1HD LYS 59 1HD LYS 59 -6.367 -12.274 -10.499 493 2HD LYS 59 2HD LYS 59 -5.514 -11.763 -11.955 494 1HE LYS 59 1HE LYS 59 -3.387 -12.156 -10.481 495 2HE LYS 59 2HE LYS 59 -4.475 -13.179 -9.543 496 1HZ LYS 59 1HZ LYS 59 -4.512 -13.569 -12.424 497 2HZ LYS 59 2HZ LYS 59 -3.097 -14.050 -11.631 498 3HZ LYS 59 3HZ LYS 59 -4.587 -14.707 -11.176 499 H ASP 60 H ASP 60 -8.503 -8.631 -8.509 500 HA ASP 60 HA ASP 60 -10.469 -7.379 -10.121 501 1HB ASP 60 1HB ASP 60 -11.192 -9.089 -8.611 502 2HB ASP 60 2HB ASP 60 -10.477 -8.261 -7.231 503 H ALA 61 H ALA 61 -8.696 -6.368 -7.216 504 HA ALA 61 HA ALA 61 -9.965 -3.994 -6.675 505 1HB ALA 61 1HB ALA 61 -7.141 -4.906 -6.349 506 2HB ALA 61 2HB ALA 61 -7.564 -3.232 -5.984 507 3HB ALA 61 3HB ALA 61 -8.357 -4.551 -5.120 508 H MET 62 H MET 62 -7.316 -4.569 -8.968 509 HA MET 62 HA MET 62 -7.162 -1.884 -9.864 510 1HB MET 62 1HB MET 62 -6.067 -4.501 -10.772 511 2HB MET 62 2HB MET 62 -6.071 -3.172 -11.924 512 1HG MET 62 1HG MET 62 -4.793 -1.807 -10.359 513 2HG MET 62 2HG MET 62 -4.796 -3.132 -9.198 514 1HE MET 62 1HE MET 62 -4.807 -4.777 -12.394 515 2HE MET 62 2HE MET 62 -3.191 -5.482 -12.393 516 3HE MET 62 3HE MET 62 -4.261 -5.732 -11.016 517 H GLN 63 H GLN 63 -8.560 -4.796 -11.378 518 HA GLN 63 HA GLN 63 -9.636 -3.597 -13.627 519 1HB GLN 63 1HB GLN 63 -9.601 -6.088 -12.947 520 2HB GLN 63 2HB GLN 63 -11.111 -5.742 -12.114 521 1HG GLN 63 1HG GLN 63 -11.859 -4.776 -14.397 522 2HG GLN 63 2HG GLN 63 -10.519 -5.726 -15.040 523 1HE2 GLN 63 2HE2 GLN 63 -12.085 -6.943 -16.207 524 2HE2 GLN 63 1HE2 GLN 63 -12.987 -8.191 -15.422 525 H HIS 64 H HIS 64 -10.537 -3.309 -10.334 526 HA HIS 64 HA HIS 64 -13.218 -2.434 -10.747 527 1HB HIS 64 1HB HIS 64 -13.300 -2.795 -8.542 528 2HB HIS 64 2HB HIS 64 -11.568 -3.095 -8.534 529 HD1 HIS 64 HD1 HIS 64 -10.205 -1.537 -7.164 530 HD2 HIS 64 HD2 HIS 64 -13.913 0.067 -8.122 531 HE1 HIS 64 HE1 HIS 64 -10.347 0.630 -5.898 532 HE2 HIS 64 HE2 HIS 64 -12.560 1.628 -6.568 533 H LEU 65 H LEU 65 -10.373 -0.647 -9.556 534 HA LEU 65 HA LEU 65 -11.354 1.905 -9.747 535 1HB LEU 65 1HB LEU 65 -8.629 0.732 -9.980 536 2HB LEU 65 2HB LEU 65 -8.835 2.414 -10.426 537 HG LEU 65 HG LEU 65 -9.320 1.158 -7.734 538 1HD1 LEU 65 1HD1 LEU 65 -7.102 2.421 -8.925 539 2HD1 LEU 65 2HD1 LEU 65 -7.762 3.549 -7.739 540 3HD1 LEU 65 3HD1 LEU 65 -7.299 1.921 -7.244 541 1HD2 LEU 65 1HD2 LEU 65 -10.094 3.887 -8.745 542 2HD2 LEU 65 2HD2 LEU 65 -11.143 2.655 -8.040 543 3HD2 LEU 65 3HD2 LEU 65 -9.956 3.483 -7.032 544 H ASP 66 H ASP 66 -9.447 0.268 -12.281 545 HA ASP 66 HA ASP 66 -9.511 2.137 -14.256 546 1HB ASP 66 1HB ASP 66 -10.050 -0.751 -14.903 547 2HB ASP 66 2HB ASP 66 -9.090 0.416 -15.807 548 H ARG 67 H ARG 67 -12.165 0.210 -13.112 549 HA ARG 67 HA ARG 67 -13.879 0.980 -15.334 550 1HB ARG 67 1HB ARG 67 -13.810 -1.199 -13.573 551 2HB ARG 67 2HB ARG 67 -15.255 -0.300 -13.137 552 1HG ARG 67 1HG ARG 67 -15.921 -1.895 -14.736 553 2HG ARG 67 2HG ARG 67 -15.881 -0.342 -15.575 554 1HD ARG 67 1HD ARG 67 -13.870 -0.871 -16.676 555 2HD ARG 67 2HD ARG 67 -13.546 -2.232 -15.602 556 HE ARG 67 HE ARG 67 -15.965 -2.622 -17.029 557 1HH1 ARG 67 1HH1 ARG 67 -12.504 -2.704 -17.393 558 2HH1 ARG 67 2HH1 ARG 67 -12.536 -3.870 -18.675 559 1HH2 ARG 67 1HH2 ARG 67 -16.021 -4.155 -18.717 560 2HH2 ARG 67 2HH2 ARG 67 -14.536 -4.693 -19.428 561 H GLN 68 H GLN 68 -13.196 1.908 -12.069 562 HA GLN 68 HA GLN 68 -15.589 3.573 -11.912 563 1HB GLN 68 1HB GLN 68 -13.815 2.318 -10.000 564 2HB GLN 68 2HB GLN 68 -14.012 4.028 -9.646 565 1HG GLN 68 1HG GLN 68 -15.928 3.557 -8.655 566 2HG GLN 68 2HG GLN 68 -16.577 3.056 -10.218 567 1HE2 GLN 68 2HE2 GLN 68 -14.879 0.804 -10.565 568 2HE2 GLN 68 1HE2 GLN 68 -15.383 -0.407 -9.439 569 H ALA 69 H ALA 69 -12.083 3.993 -11.398 570 HA ALA 69 HA ALA 69 -12.150 6.811 -11.452 571 1HB ALA 69 1HB ALA 69 -10.020 4.743 -11.621 572 2HB ALA 69 2HB ALA 69 -9.621 6.399 -12.082 573 3HB ALA 69 3HB ALA 69 -10.234 6.056 -10.464 574 H ALA 70 H ALA 70 -12.574 4.581 -13.928 575 HA ALA 70 HA ALA 70 -11.300 5.445 -16.149 576 1HB ALA 70 1HB ALA 70 -14.122 4.527 -15.760 577 2HB ALA 70 2HB ALA 70 -13.538 4.989 -17.359 578 3HB ALA 70 3HB ALA 70 -12.758 3.672 -16.481 579 H ALA 71 H ALA 71 -14.131 6.997 -14.682 580 HA ALA 71 HA ALA 71 -14.625 8.943 -16.582 581 1HB ALA 71 1HB ALA 71 -15.451 8.395 -13.927 582 2HB ALA 71 2HB ALA 71 -15.031 10.105 -14.026 583 3HB ALA 71 3HB ALA 71 -16.228 9.426 -15.129 584 H LEU 72 H LEU 72 -11.935 8.614 -14.521 585 HA LEU 72 HA LEU 72 -11.102 11.385 -15.075 586 1HB LEU 72 1HB LEU 72 -10.377 9.508 -12.835 587 2HB LEU 72 2HB LEU 72 -9.457 10.960 -13.178 588 HG LEU 72 HG LEU 72 -10.937 11.507 -11.413 589 1HD1 LEU 72 1HD1 LEU 72 -10.853 12.958 -13.641 590 2HD1 LEU 72 2HD1 LEU 72 -12.578 12.589 -13.629 591 3HD1 LEU 72 3HD1 LEU 72 -11.842 13.412 -12.253 592 1HD2 LEU 72 1HD2 LEU 72 -12.546 9.520 -12.427 593 2HD2 LEU 72 2HD2 LEU 72 -12.948 10.599 -11.091 594 3HD2 LEU 72 3HD2 LEU 72 -13.480 10.986 -12.727 595 H THR 73 H THR 73 -10.172 8.005 -15.185 596 HA THR 73 HA THR 73 -7.980 8.730 -17.001 597 HB THR 73 HB THR 73 -6.477 7.177 -15.992 598 HG1 THR 73 HG1 THR 73 -7.080 5.654 -14.630 599 1HG2 THR 73 1HG2 THR 73 -7.862 8.829 -13.904 600 2HG2 THR 73 2HG2 THR 73 -6.407 7.885 -13.578 601 3HG2 THR 73 3HG2 THR 73 -6.367 9.185 -14.769 602 H ARG 74 H ARG 74 -9.545 8.180 -18.642 603 HA ARG 74 HA ARG 74 -10.937 5.839 -18.939 604 1HB ARG 74 1HB ARG 74 -9.894 7.898 -20.729 605 2HB ARG 74 2HB ARG 74 -10.030 6.327 -21.507 606 1HG ARG 74 1HG ARG 74 -12.374 6.204 -20.927 607 2HG ARG 74 2HG ARG 74 -12.258 7.725 -20.042 608 1HD ARG 74 1HD ARG 74 -12.262 8.977 -21.926 609 2HD ARG 74 2HD ARG 74 -11.346 7.784 -22.847 610 HE ARG 74 HE ARG 74 -14.225 7.966 -22.598 611 1HH1 ARG 74 1HH1 ARG 74 -11.488 6.023 -23.524 612 2HH1 ARG 74 2HH1 ARG 74 -12.412 4.978 -24.550 613 1HH2 ARG 74 1HH2 ARG 74 -15.453 6.595 -23.945 614 2HH2 ARG 74 2HH2 ARG 74 -14.667 5.304 -24.791 615 H ASN 75 H ASN 75 -8.113 6.206 -21.013 616 HA ASN 75 HA ASN 75 -7.187 3.549 -20.149 617 1HB ASN 75 1HB ASN 75 -6.960 4.464 -23.004 618 2HB ASN 75 2HB ASN 75 -6.859 2.830 -22.360 619 1HD2 ASN 75 2HD2 ASN 75 -8.689 4.667 -24.212 620 2HD2 ASN 75 1HD2 ASN 75 -10.259 4.038 -23.862 621 H GLY 76 H GLY 76 -5.339 3.948 -19.097 622 1HA GLY 76 1HA GLY 76 -3.162 4.583 -18.741 623 2HA GLY 76 2HA GLY 76 -3.046 4.855 -20.474 Start of MODEL 11 1 2H MET 0 2H MET 0 22.669 -0.140 5.195 2 3H MET 0 3H MET 0 22.628 1.548 5.503 3 1H MET 0 1H MET 0 22.316 0.439 6.772 4 HA MET 0 HA MET 0 20.646 1.233 4.522 5 1HB MET 0 1HB MET 0 21.066 -1.471 5.529 6 2HB MET 0 2HB MET 0 19.392 -0.957 5.687 7 1HG MET 0 1HG MET 0 19.020 -1.145 3.506 8 2HG MET 0 2HG MET 0 20.507 -0.293 3.094 9 1HE MET 0 1HE MET 0 22.507 -1.232 2.246 10 2HE MET 0 2HE MET 0 22.626 -2.876 1.621 11 3HE MET 0 3HE MET 0 21.373 -1.792 1.017 12 H GLN 1 H GLN 1 18.272 0.971 5.524 13 HA GLN 1 HA GLN 1 16.746 1.619 7.095 14 1HB GLN 1 1HB GLN 1 18.601 0.387 8.622 15 2HB GLN 1 2HB GLN 1 18.720 2.019 9.265 16 1HG GLN 1 1HG GLN 1 16.926 1.670 10.499 17 2HG GLN 1 2HG GLN 1 15.973 1.377 9.045 18 1HE2 GLN 1 2HE2 GLN 1 18.493 -0.361 10.847 19 2HE2 GLN 1 1HE2 GLN 1 17.642 -1.862 10.922 20 H HIS 2 H HIS 2 17.266 3.457 9.290 21 HA HIS 2 HA HIS 2 16.778 5.882 8.146 22 1HB HIS 2 1HB HIS 2 17.895 6.832 10.300 23 2HB HIS 2 2HB HIS 2 16.454 5.830 10.447 24 HD1 HIS 2 HD1 HIS 2 20.153 4.933 10.208 25 HD2 HIS 2 HD2 HIS 2 16.820 4.243 12.594 26 HE1 HIS 2 HE1 HIS 2 20.924 3.343 11.998 27 HE2 HIS 2 HE2 HIS 2 18.904 2.981 13.461 28 H HIS 3 H HIS 3 17.880 7.291 6.959 29 HA HIS 3 HA HIS 3 19.608 8.071 5.661 30 1HB HIS 3 1HB HIS 3 20.917 8.185 8.386 31 2HB HIS 3 2HB HIS 3 21.354 9.154 6.981 32 HD1 HIS 3 HD1 HIS 3 18.250 8.582 9.114 33 HD2 HIS 3 HD2 HIS 3 20.192 11.588 7.004 34 HE1 HIS 3 HE1 HIS 3 16.910 10.670 9.530 35 HE2 HIS 3 HE2 HIS 3 18.049 12.454 8.163 36 H GLY 4 H GLY 4 20.044 6.100 4.529 37 1HA GLY 4 1HA GLY 4 22.762 5.189 4.958 38 2HA GLY 4 2HA GLY 4 21.532 3.953 5.177 39 H VAL 5 H VAL 5 21.088 2.770 3.453 40 HA VAL 5 HA VAL 5 21.565 3.943 0.790 41 HB VAL 5 HB VAL 5 22.000 1.088 1.672 42 1HG1 VAL 5 1HG1 VAL 5 21.634 2.292 -0.983 43 2HG1 VAL 5 2HG1 VAL 5 23.035 1.233 -0.826 44 3HG1 VAL 5 3HG1 VAL 5 21.423 0.624 -0.452 45 1HG2 VAL 5 1HG2 VAL 5 23.729 2.842 2.266 46 2HG2 VAL 5 2HG2 VAL 5 24.306 1.459 1.334 47 3HG2 VAL 5 3HG2 VAL 5 24.017 3.005 0.533 48 H THR 6 H THR 6 19.583 4.425 0.047 49 HA THR 6 HA THR 6 17.478 2.380 0.290 50 HB THR 6 HB THR 6 16.302 4.772 -0.575 51 HG1 THR 6 HG1 THR 6 17.938 6.058 0.051 52 1HG2 THR 6 1HG2 THR 6 16.312 3.198 1.926 53 2HG2 THR 6 2HG2 THR 6 15.690 4.845 2.003 54 3HG2 THR 6 3HG2 THR 6 14.970 3.682 0.890 55 H LYS 7 H LYS 7 15.739 3.152 -1.629 56 HA LYS 7 HA LYS 7 16.703 3.829 -4.132 57 1HB LYS 7 1HB LYS 7 17.970 1.592 -3.603 58 2HB LYS 7 2HB LYS 7 16.442 0.847 -4.046 59 1HG LYS 7 1HG LYS 7 16.553 1.696 -6.245 60 2HG LYS 7 2HG LYS 7 17.868 2.798 -5.830 61 1HD LYS 7 1HD LYS 7 19.422 1.223 -6.151 62 2HD LYS 7 2HD LYS 7 18.500 0.015 -5.253 63 1HE LYS 7 1HE LYS 7 16.998 0.070 -7.428 64 2HE LYS 7 2HE LYS 7 18.495 0.644 -8.160 65 1HZ LYS 7 1HZ LYS 7 19.586 -1.348 -7.152 66 2HZ LYS 7 2HZ LYS 7 18.048 -1.922 -6.746 67 3HZ LYS 7 3HZ LYS 7 18.465 -1.695 -8.370 68 H CYS 8 H CYS 8 14.795 4.698 -4.665 69 HA CYS 8 HA CYS 8 12.696 4.669 -5.616 70 1HB CYS 8 1HB CYS 8 13.249 2.137 -5.992 71 2HB CYS 8 2HB CYS 8 12.169 1.891 -4.623 72 H ASN 9 H ASN 9 11.248 5.855 -4.586 73 HA ASN 9 HA ASN 9 10.951 6.355 -1.983 74 1HB ASN 9 1HB ASN 9 8.812 7.235 -2.406 75 2HB ASN 9 2HB ASN 9 9.626 7.315 -3.965 76 1HD2 ASN 9 2HD2 ASN 9 9.127 5.696 -5.539 77 2HD2 ASN 9 1HD2 ASN 9 7.586 4.916 -5.519 78 H ILE 10 H ILE 10 9.336 3.671 -3.650 79 HA ILE 10 HA ILE 10 8.995 2.363 -1.041 80 HB ILE 10 HB ILE 10 6.837 3.395 -1.808 81 1HG1 ILE 10 1HG1 ILE 10 6.460 0.437 -1.812 82 2HG1 ILE 10 2HG1 ILE 10 7.264 1.164 -0.425 83 1HG2 ILE 10 1HG2 ILE 10 7.424 2.671 -4.261 84 2HG2 ILE 10 2HG2 ILE 10 6.590 1.188 -3.795 85 3HG2 ILE 10 3HG2 ILE 10 5.748 2.736 -3.717 86 1HD1 ILE 10 1HD1 ILE 10 4.713 2.354 -1.351 87 2HD1 ILE 10 2HD1 ILE 10 4.668 0.822 -0.480 88 3HD1 ILE 10 3HD1 ILE 10 5.393 2.243 0.272 89 H THR 11 H THR 11 9.828 0.387 -1.023 90 HA THR 11 HA THR 11 10.253 -0.975 -3.601 91 HB THR 11 HB THR 11 12.328 -0.396 -2.420 92 HG1 THR 11 HG1 THR 11 13.183 -2.532 -2.360 93 1HG2 THR 11 1HG2 THR 11 10.933 -1.265 -0.110 94 2HG2 THR 11 2HG2 THR 11 12.344 -2.298 -0.335 95 3HG2 THR 11 3HG2 THR 11 12.541 -0.549 -0.231 96 H CYS 12 H CYS 12 9.001 -2.672 -3.966 97 HA CYS 12 HA CYS 12 7.275 -3.769 -2.011 98 1HB CYS 12 1HB CYS 12 8.050 -4.921 -4.701 99 2HB CYS 12 2HB CYS 12 6.646 -5.377 -3.740 100 H SER 13 H SER 13 9.274 -4.096 -0.529 101 HA SER 13 HA SER 13 10.863 -6.429 -1.002 102 1HB SER 13 1HB SER 13 10.430 -4.903 1.577 103 2HB SER 13 2HB SER 13 11.718 -6.063 1.257 104 HG SER 13 HG SER 13 12.772 -4.597 0.163 105 H LYS 14 H LYS 14 7.708 -5.919 0.082 106 HA LYS 14 HA LYS 14 7.466 -8.723 0.821 107 1HB LYS 14 1HB LYS 14 6.599 -8.413 2.952 108 2HB LYS 14 2HB LYS 14 7.889 -7.220 2.897 109 1HG LYS 14 1HG LYS 14 4.935 -6.754 2.618 110 2HG LYS 14 2HG LYS 14 6.015 -6.173 3.888 111 1HD LYS 14 1HD LYS 14 7.186 -4.779 2.255 112 2HD LYS 14 2HD LYS 14 6.118 -5.369 0.979 113 1HE LYS 14 1HE LYS 14 5.097 -3.385 1.522 114 2HE LYS 14 2HE LYS 14 4.233 -4.505 2.574 115 1HZ LYS 14 1HZ LYS 14 6.639 -3.110 3.546 116 2HZ LYS 14 2HZ LYS 14 5.142 -2.325 3.553 117 3HZ LYS 14 3HZ LYS 14 5.351 -3.756 4.433 118 H MET 15 H MET 15 4.894 -8.805 1.668 119 HA MET 15 HA MET 15 3.341 -7.462 -0.440 120 1HB MET 15 1HB MET 15 3.311 -10.381 0.306 121 2HB MET 15 2HB MET 15 1.982 -9.620 -0.556 122 1HG MET 15 1HG MET 15 4.834 -9.856 -1.484 123 2HG MET 15 2HG MET 15 3.439 -10.729 -2.112 124 1HE MET 15 1HE MET 15 5.544 -9.378 -3.628 125 2HE MET 15 2HE MET 15 4.897 -8.185 -4.755 126 3HE MET 15 3HE MET 15 5.679 -7.657 -3.266 127 H THR 16 H THR 16 1.406 -6.654 0.171 128 HA THR 16 HA THR 16 0.801 -6.623 2.990 129 HB THR 16 HB THR 16 0.579 -4.697 1.234 130 HG1 THR 16 HG1 THR 16 -1.677 -4.780 2.841 131 1HG2 THR 16 1HG2 THR 16 -1.033 -6.027 -0.190 132 2HG2 THR 16 2HG2 THR 16 -2.226 -5.745 1.080 133 3HG2 THR 16 3HG2 THR 16 -1.510 -4.381 0.223 134 H SER 17 H SER 17 -1.841 -6.590 3.274 135 HA SER 17 HA SER 17 -2.635 -9.307 2.488 136 1HB SER 17 1HB SER 17 -4.026 -7.737 4.631 137 2HB SER 17 2HB SER 17 -3.853 -9.483 4.465 138 HG SER 17 HG SER 17 -1.423 -8.502 4.671 139 H LYS 18 H LYS 18 -5.010 -9.644 2.197 140 HA LYS 18 HA LYS 18 -5.985 -8.144 0.074 141 1HB LYS 18 1HB LYS 18 -6.692 -10.484 1.116 142 2HB LYS 18 2HB LYS 18 -7.934 -9.500 1.876 143 1HG LYS 18 1HG LYS 18 -8.240 -8.626 -0.602 144 2HG LYS 18 2HG LYS 18 -7.551 -10.207 -0.975 145 1HD LYS 18 1HD LYS 18 -9.590 -11.062 -0.716 146 2HD LYS 18 2HD LYS 18 -9.452 -10.697 1.005 147 1HE LYS 18 1HE LYS 18 -11.447 -9.670 0.378 148 2HE LYS 18 2HE LYS 18 -10.275 -8.352 0.374 149 1HZ LYS 18 1HZ LYS 18 -10.031 -8.841 -2.085 150 2HZ LYS 18 2HZ LYS 18 -11.440 -9.769 -1.946 151 3HZ LYS 18 3HZ LYS 18 -11.480 -8.114 -1.597 152 H ILE 19 H ILE 19 -6.480 -6.054 0.105 153 HA ILE 19 HA ILE 19 -7.856 -4.960 2.467 154 HB ILE 19 HB ILE 19 -6.637 -3.216 0.367 155 1HG1 ILE 19 1HG1 ILE 19 -5.139 -4.606 2.596 156 2HG1 ILE 19 2HG1 ILE 19 -4.856 -4.784 0.868 157 1HG2 ILE 19 1HG2 ILE 19 -7.174 -2.986 3.317 158 2HG2 ILE 19 2HG2 ILE 19 -6.219 -1.807 2.416 159 3HG2 ILE 19 3HG2 ILE 19 -7.912 -2.073 2.001 160 1HD1 ILE 19 1HD1 ILE 19 -4.571 -2.096 1.216 161 2HD1 ILE 19 2HD1 ILE 19 -3.921 -2.744 2.722 162 3HD1 ILE 19 3HD1 ILE 19 -3.256 -3.270 1.176 163 HA PRO 20 HA PRO 20 -11.642 -4.499 0.259 164 1HB PRO 20 1HB PRO 20 -11.839 -1.900 1.684 165 2HB PRO 20 2HB PRO 20 -12.978 -3.244 1.640 166 1HG PRO 20 1HG PRO 20 -11.482 -2.768 3.794 167 2HG PRO 20 2HG PRO 20 -11.849 -4.416 3.267 168 1HD PRO 20 1HD PRO 20 -9.325 -2.854 2.984 169 2HD PRO 20 2HD PRO 20 -9.549 -4.590 3.285 170 H VAL 21 H VAL 21 -11.847 -3.882 -1.789 171 HA VAL 21 HA VAL 21 -10.200 -1.999 -3.054 172 HB VAL 21 HB VAL 21 -11.420 -3.849 -4.211 173 1HG1 VAL 21 1HG1 VAL 21 -13.601 -3.446 -3.087 174 2HG1 VAL 21 2HG1 VAL 21 -13.794 -1.995 -4.072 175 3HG1 VAL 21 3HG1 VAL 21 -13.722 -3.581 -4.842 176 1HG2 VAL 21 1HG2 VAL 21 -11.399 -1.031 -5.171 177 2HG2 VAL 21 2HG2 VAL 21 -10.485 -2.428 -5.741 178 3HG2 VAL 21 3HG2 VAL 21 -12.189 -2.257 -6.164 179 H ALA 22 H ALA 22 -13.176 -1.640 -1.328 180 HA ALA 22 HA ALA 22 -14.022 0.821 -2.451 181 1HB ALA 22 1HB ALA 22 -14.874 -0.944 -0.350 182 2HB ALA 22 2HB ALA 22 -14.940 0.733 0.193 183 3HB ALA 22 3HB ALA 22 -15.807 0.243 -1.262 184 H LEU 23 H LEU 23 -11.324 0.110 -0.637 185 HA LEU 23 HA LEU 23 -11.225 2.774 0.594 186 1HB LEU 23 1HB LEU 23 -9.471 0.367 1.084 187 2HB LEU 23 2HB LEU 23 -9.373 1.895 1.938 188 HG LEU 23 HG LEU 23 -11.670 -0.059 2.033 189 1HD1 LEU 23 1HD1 LEU 23 -9.406 0.603 3.858 190 2HD1 LEU 23 2HD1 LEU 23 -10.948 0.078 4.533 191 3HD1 LEU 23 3HD1 LEU 23 -10.072 -0.969 3.416 192 1HD2 LEU 23 1HD2 LEU 23 -11.340 2.696 3.180 193 2HD2 LEU 23 2HD2 LEU 23 -12.660 2.065 2.194 194 3HD2 LEU 23 3HD2 LEU 23 -12.464 1.518 3.859 195 H LEU 24 H LEU 24 -9.998 0.918 -1.983 196 HA LEU 24 HA LEU 24 -7.513 2.334 -2.281 197 1HB LEU 24 1HB LEU 24 -8.936 0.658 -4.343 198 2HB LEU 24 2HB LEU 24 -7.236 1.081 -4.309 199 HG LEU 24 HG LEU 24 -8.640 -0.729 -2.341 200 1HD1 LEU 24 1HD1 LEU 24 -7.042 -1.204 -4.802 201 2HD1 LEU 24 2HD1 LEU 24 -6.864 -2.320 -3.450 202 3HD1 LEU 24 3HD1 LEU 24 -8.448 -2.068 -4.182 203 1HD2 LEU 24 1HD2 LEU 24 -6.442 0.793 -1.840 204 2HD2 LEU 24 2HD2 LEU 24 -6.795 -0.752 -1.066 205 3HD2 LEU 24 3HD2 LEU 24 -5.712 -0.690 -2.457 206 H ILE 25 H ILE 25 -7.049 4.027 -3.611 207 HA ILE 25 HA ILE 25 -9.338 5.265 -4.998 208 HB ILE 25 HB ILE 25 -8.299 7.436 -4.636 209 1HG1 ILE 25 1HG1 ILE 25 -6.230 5.995 -2.965 210 2HG1 ILE 25 2HG1 ILE 25 -5.942 6.559 -4.609 211 1HG2 ILE 25 1HG2 ILE 25 -9.846 6.445 -2.946 212 2HG2 ILE 25 2HG2 ILE 25 -8.430 5.943 -2.024 213 3HG2 ILE 25 3HG2 ILE 25 -8.740 7.656 -2.298 214 1HD1 ILE 25 1HD1 ILE 25 -6.863 8.444 -2.480 215 2HD1 ILE 25 2HD1 ILE 25 -5.161 8.016 -2.654 216 3HD1 ILE 25 3HD1 ILE 25 -6.017 8.791 -3.988 217 H HIS 26 H HIS 26 -5.969 4.353 -5.193 218 HA HIS 26 HA HIS 26 -6.036 4.300 -8.036 219 1HB HIS 26 1HB HIS 26 -5.396 6.796 -6.925 220 2HB HIS 26 2HB HIS 26 -3.859 6.104 -7.433 221 HD1 HIS 26 HD1 HIS 26 -5.198 4.593 -9.947 222 HD2 HIS 26 HD2 HIS 26 -5.438 8.637 -9.021 223 HE1 HIS 26 HE1 HIS 26 -5.696 5.752 -12.122 224 HE2 HIS 26 HE2 HIS 26 -5.751 8.206 -11.551 225 H TYR 27 H TYR 27 -4.198 3.307 -8.948 226 HA TYR 27 HA TYR 27 -2.420 2.054 -6.961 227 1HB TYR 27 1HB TYR 27 -2.196 0.180 -8.534 228 2HB TYR 27 2HB TYR 27 -3.879 0.447 -8.096 229 HD1 TYR 27 HD1 TYR 27 -1.393 0.683 -10.788 230 HD2 TYR 27 HD2 TYR 27 -5.488 1.229 -9.733 231 HE1 TYR 27 HE1 TYR 27 -1.984 0.825 -13.175 232 HE2 TYR 27 HE2 TYR 27 -6.090 1.373 -12.117 233 HH TYR 27 HH TYR 27 -4.590 2.102 -14.354 234 H GLN 28 H GLN 28 -0.441 1.066 -8.474 235 HA GLN 28 HA GLN 28 0.563 3.039 -10.322 236 1HB GLN 28 1HB GLN 28 2.299 2.566 -7.933 237 2HB GLN 28 2HB GLN 28 2.328 3.893 -9.087 238 1HG GLN 28 1HG GLN 28 0.289 4.795 -8.148 239 2HG GLN 28 2HG GLN 28 0.185 3.438 -7.028 240 1HE2 GLN 28 2HE2 GLN 28 0.264 6.188 -6.336 241 2HE2 GLN 28 1HE2 GLN 28 1.693 6.449 -5.404 242 H GLN 29 H GLN 29 2.700 2.420 -11.204 243 HA GLN 29 HA GLN 29 3.011 -0.507 -11.158 244 1HB GLN 29 1HB GLN 29 2.459 0.984 -13.318 245 2HB GLN 29 2HB GLN 29 4.213 1.099 -13.350 246 1HG GLN 29 1HG GLN 29 4.457 -1.007 -14.043 247 2HG GLN 29 2HG GLN 29 3.224 -1.615 -12.939 248 1HE2 GLN 29 2HE2 GLN 29 1.293 -2.142 -13.732 249 2HE2 GLN 29 1HE2 GLN 29 0.763 -1.841 -15.348 250 H ASN 30 H ASN 30 4.558 -0.927 -9.689 251 HA ASN 30 HA ASN 30 6.712 0.704 -9.008 252 1HB ASN 30 1HB ASN 30 5.712 -1.655 -8.073 253 2HB ASN 30 2HB ASN 30 7.217 -2.193 -8.813 254 1HD2 ASN 30 2HD2 ASN 30 8.214 -2.685 -6.899 255 2HD2 ASN 30 1HD2 ASN 30 8.714 -1.485 -5.762 256 H GLN 31 H GLN 31 8.763 0.942 -9.741 257 HA GLN 31 HA GLN 31 9.320 0.199 -12.436 258 1HB GLN 31 1HB GLN 31 10.473 1.930 -10.419 259 2HB GLN 31 2HB GLN 31 11.722 1.038 -11.275 260 1HG GLN 31 1HG GLN 31 9.564 2.472 -12.770 261 2HG GLN 31 2HG GLN 31 10.984 3.331 -12.173 262 1HE2 GLN 31 2HE2 GLN 31 9.954 2.577 -14.912 263 2HE2 GLN 31 1HE2 GLN 31 11.314 1.852 -15.691 264 H ALA 32 H ALA 32 11.381 -0.889 -13.072 265 HA ALA 32 HA ALA 32 11.512 -3.466 -11.836 266 1HB ALA 32 1HB ALA 32 11.735 -3.071 -14.287 267 2HB ALA 32 2HB ALA 32 13.318 -2.359 -13.978 268 3HB ALA 32 3HB ALA 32 13.024 -4.055 -13.594 269 H SER 33 H SER 33 12.846 -0.598 -10.945 270 HA SER 33 HA SER 33 15.316 -1.831 -9.929 271 1HB SER 33 1HB SER 33 15.860 0.675 -9.431 272 2HB SER 33 2HB SER 33 15.982 0.078 -11.086 273 HG SER 33 HG SER 33 14.773 1.841 -11.328 274 H CYS 34 H CYS 34 12.377 -1.729 -8.895 275 HA CYS 34 HA CYS 34 13.089 -0.932 -6.149 276 1HB CYS 34 1HB CYS 34 10.252 -0.934 -7.127 277 2HB CYS 34 2HB CYS 34 10.959 -0.053 -5.775 278 H GLY 35 H GLY 35 13.373 -2.704 -4.965 279 1HA GLY 35 1HA GLY 35 13.222 -4.940 -4.349 280 2HA GLY 35 2HA GLY 35 11.545 -4.471 -4.117 281 H LYS 36 H LYS 36 10.147 -5.791 -5.055 282 HA LYS 36 HA LYS 36 11.011 -7.296 -7.429 283 1HB LYS 36 1HB LYS 36 8.879 -7.873 -5.371 284 2HB LYS 36 2HB LYS 36 9.071 -8.803 -6.849 285 1HG LYS 36 1HG LYS 36 10.466 -10.104 -5.735 286 2HG LYS 36 2HG LYS 36 11.607 -8.757 -5.719 287 1HD LYS 36 1HD LYS 36 11.440 -9.301 -3.471 288 2HD LYS 36 2HD LYS 36 10.279 -7.981 -3.633 289 1HE LYS 36 1HE LYS 36 9.113 -9.575 -2.405 290 2HE LYS 36 2HE LYS 36 8.549 -9.837 -4.055 291 1HZ LYS 36 1HZ LYS 36 10.382 -11.581 -4.165 292 2HZ LYS 36 2HZ LYS 36 10.436 -11.474 -2.477 293 3HZ LYS 36 3HZ LYS 36 9.011 -11.955 -3.251 294 H ARG 37 H ARG 37 9.638 -7.476 -9.228 295 HA ARG 37 HA ARG 37 8.218 -5.133 -9.899 296 1HB ARG 37 1HB ARG 37 9.199 -7.381 -11.258 297 2HB ARG 37 2HB ARG 37 7.464 -7.391 -11.540 298 1HG ARG 37 1HG ARG 37 8.087 -4.770 -11.968 299 2HG ARG 37 2HG ARG 37 9.527 -5.598 -12.567 300 1HD ARG 37 1HD ARG 37 6.670 -6.025 -13.425 301 2HD ARG 37 2HD ARG 37 7.990 -5.360 -14.385 302 HE ARG 37 HE ARG 37 8.636 -7.967 -13.502 303 1HH1 ARG 37 1HH1 ARG 37 6.615 -6.270 -15.775 304 2HH1 ARG 37 2HH1 ARG 37 6.566 -7.580 -16.907 305 1HH2 ARG 37 1HH2 ARG 37 8.579 -9.697 -14.986 306 2HH2 ARG 37 2HH2 ARG 37 7.683 -9.530 -16.458 307 H ALA 38 H ALA 38 6.624 -4.831 -8.314 308 HA ALA 38 HA ALA 38 4.318 -6.651 -8.554 309 1HB ALA 38 1HB ALA 38 5.472 -6.794 -6.348 310 2HB ALA 38 2HB ALA 38 5.067 -5.098 -6.081 311 3HB ALA 38 3HB ALA 38 3.783 -6.296 -6.247 312 H ILE 39 H ILE 39 2.583 -5.055 -6.985 313 HA ILE 39 HA ILE 39 2.293 -2.667 -8.692 314 HB ILE 39 HB ILE 39 0.152 -4.526 -7.669 315 1HG1 ILE 39 1HG1 ILE 39 1.381 -5.086 -9.800 316 2HG1 ILE 39 2HG1 ILE 39 -0.360 -4.893 -9.978 317 1HG2 ILE 39 1HG2 ILE 39 -0.055 -1.738 -8.748 318 2HG2 ILE 39 2HG2 ILE 39 -1.382 -2.888 -8.914 319 3HG2 ILE 39 3HG2 ILE 39 -0.807 -2.432 -7.311 320 1HD1 ILE 39 1HD1 ILE 39 1.090 -2.417 -10.411 321 2HD1 ILE 39 2HD1 ILE 39 1.568 -3.703 -11.520 322 3HD1 ILE 39 3HD1 ILE 39 -0.123 -3.214 -11.413 323 H ILE 40 H ILE 40 1.393 -0.806 -7.735 324 HA ILE 40 HA ILE 40 1.661 -0.748 -4.808 325 HB ILE 40 HB ILE 40 1.504 1.738 -6.462 326 1HG1 ILE 40 1HG1 ILE 40 3.163 0.379 -7.625 327 2HG1 ILE 40 2HG1 ILE 40 3.961 1.683 -6.750 328 1HG2 ILE 40 1HG2 ILE 40 1.480 1.818 -3.991 329 2HG2 ILE 40 2HG2 ILE 40 3.072 1.059 -3.979 330 3HG2 ILE 40 3HG2 ILE 40 2.862 2.656 -4.696 331 1HD1 ILE 40 1HD1 ILE 40 4.106 -0.225 -4.892 332 2HD1 ILE 40 2HD1 ILE 40 4.087 -1.232 -6.341 333 3HD1 ILE 40 3HD1 ILE 40 5.331 0.003 -6.141 334 H LEU 41 H LEU 41 -0.034 -0.284 -3.541 335 HA LEU 41 HA LEU 41 -2.540 0.515 -4.866 336 1HB LEU 41 1HB LEU 41 -2.028 -1.241 -2.479 337 2HB LEU 41 2HB LEU 41 -3.607 -0.545 -2.794 338 HG LEU 41 HG LEU 41 -2.164 -2.705 -4.252 339 1HD1 LEU 41 1HD1 LEU 41 -4.317 -2.620 -2.567 340 2HD1 LEU 41 2HD1 LEU 41 -5.081 -2.650 -4.156 341 3HD1 LEU 41 3HD1 LEU 41 -3.951 -3.923 -3.698 342 1HD2 LEU 41 1HD2 LEU 41 -4.185 -0.857 -5.515 343 2HD2 LEU 41 2HD2 LEU 41 -2.501 -1.064 -5.999 344 3HD2 LEU 41 3HD2 LEU 41 -3.646 -2.392 -6.197 345 H GLU 42 H GLU 42 -3.225 2.484 -4.421 346 HA GLU 42 HA GLU 42 -2.362 3.749 -1.905 347 1HB GLU 42 1HB GLU 42 -1.638 4.776 -4.118 348 2HB GLU 42 2HB GLU 42 -3.329 5.182 -4.378 349 1HG GLU 42 1HG GLU 42 -3.362 6.696 -2.604 350 2HG GLU 42 2HG GLU 42 -1.887 6.037 -1.899 351 H THR 43 H THR 43 -3.862 4.292 -0.451 352 HA THR 43 HA THR 43 -6.683 4.012 -1.223 353 HB THR 43 HB THR 43 -7.171 3.530 1.062 354 HG1 THR 43 HG1 THR 43 -6.014 4.340 2.593 355 1HG2 THR 43 1HG2 THR 43 -4.754 2.134 0.022 356 2HG2 THR 43 2HG2 THR 43 -5.341 1.782 1.648 357 3HG2 THR 43 3HG2 THR 43 -6.393 1.528 0.255 358 H ARG 44 H ARG 44 -8.217 5.439 0.025 359 HA ARG 44 HA ARG 44 -7.572 8.155 -0.474 360 1HB ARG 44 1HB ARG 44 -9.777 8.635 0.544 361 2HB ARG 44 2HB ARG 44 -9.855 7.376 -0.682 362 1HG ARG 44 1HG ARG 44 -9.574 5.790 1.394 363 2HG ARG 44 2HG ARG 44 -10.222 7.185 2.259 364 1HD ARG 44 1HD ARG 44 -11.958 5.565 1.527 365 2HD ARG 44 2HD ARG 44 -12.191 7.194 0.893 366 HE ARG 44 HE ARG 44 -10.721 5.627 -0.943 367 1HH1 ARG 44 1HH1 ARG 44 -13.935 6.056 0.327 368 2HH1 ARG 44 2HH1 ARG 44 -14.718 5.479 -1.106 369 1HH2 ARG 44 1HH2 ARG 44 -11.742 4.867 -2.836 370 2HH2 ARG 44 2HH2 ARG 44 -13.471 4.803 -2.905 371 H GLN 45 H GLN 45 -6.722 6.164 2.055 372 HA GLN 45 HA GLN 45 -6.618 8.368 3.994 373 1HB GLN 45 1HB GLN 45 -7.517 5.849 4.382 374 2HB GLN 45 2HB GLN 45 -5.829 5.638 4.824 375 1HG GLN 45 1HG GLN 45 -5.999 6.952 6.672 376 2HG GLN 45 2HG GLN 45 -7.283 7.947 5.985 377 1HE2 GLN 45 2HE2 GLN 45 -9.351 6.630 5.551 378 2HE2 GLN 45 1HE2 GLN 45 -9.868 5.614 6.849 379 H HIS 46 H HIS 46 -4.799 7.694 1.621 380 HA HIS 46 HA HIS 46 -2.595 7.968 1.126 381 1HB HIS 46 1HB HIS 46 -2.574 8.842 4.007 382 2HB HIS 46 2HB HIS 46 -1.096 8.780 3.053 383 HD1 HIS 46 HD1 HIS 46 -2.064 9.954 0.412 384 HD2 HIS 46 HD2 HIS 46 -3.089 11.503 4.129 385 HE1 HIS 46 HE1 HIS 46 -2.685 12.355 -0.008 386 HE2 HIS 46 HE2 HIS 46 -3.410 13.237 2.237 387 H ARG 47 H ARG 47 -3.471 5.400 1.557 388 HA ARG 47 HA ARG 47 -1.319 4.124 3.100 389 1HB ARG 47 1HB ARG 47 -3.709 3.537 3.621 390 2HB ARG 47 2HB ARG 47 -3.823 2.835 2.013 391 1HG ARG 47 1HG ARG 47 -1.549 1.688 3.141 392 2HG ARG 47 2HG ARG 47 -2.753 1.711 4.434 393 1HD ARG 47 1HD ARG 47 -3.663 0.833 1.754 394 2HD ARG 47 2HD ARG 47 -2.592 -0.258 2.634 395 HE ARG 47 HE ARG 47 -5.319 0.452 3.324 396 1HH1 ARG 47 1HH1 ARG 47 -2.328 -1.023 4.324 397 2HH1 ARG 47 2HH1 ARG 47 -3.059 -1.956 5.588 398 1HH2 ARG 47 1HH2 ARG 47 -6.293 -0.773 4.985 399 2HH2 ARG 47 2HH2 ARG 47 -5.313 -1.813 5.961 400 H LEU 48 H LEU 48 0.399 3.646 1.903 401 HA LEU 48 HA LEU 48 -0.027 2.676 -0.844 402 1HB LEU 48 1HB LEU 48 2.656 3.588 0.047 403 2HB LEU 48 2HB LEU 48 1.899 3.709 -1.530 404 HG LEU 48 HG LEU 48 1.041 5.397 0.814 405 1HD1 LEU 48 1HD1 LEU 48 3.417 5.602 -0.855 406 2HD1 LEU 48 2HD1 LEU 48 2.408 7.047 -0.908 407 3HD1 LEU 48 3HD1 LEU 48 3.003 6.444 0.640 408 1HD2 LEU 48 1HD2 LEU 48 0.024 4.970 -1.800 409 2HD2 LEU 48 2HD2 LEU 48 -0.545 6.094 -0.567 410 3HD2 LEU 48 3HD2 LEU 48 0.680 6.605 -1.728 411 H PHE 49 H PHE 49 0.131 0.541 -0.980 412 HA PHE 49 HA PHE 49 2.302 -0.793 0.486 413 1HB PHE 49 1HB PHE 49 -0.606 -1.517 0.414 414 2HB PHE 49 2HB PHE 49 0.607 -2.779 0.607 415 HD1 PHE 49 HD1 PHE 49 -0.845 0.249 2.120 416 HD2 PHE 49 HD2 PHE 49 1.782 -3.067 2.654 417 HE1 PHE 49 HE1 PHE 49 -0.741 0.727 4.535 418 HE2 PHE 49 HE2 PHE 49 1.890 -2.597 5.072 419 HZ PHE 49 HZ PHE 49 0.627 -0.698 6.014 420 H CYS 50 H CYS 50 2.906 -2.896 -0.431 421 HA CYS 50 HA CYS 50 2.637 -2.851 -3.356 422 1HB CYS 50 1HB CYS 50 4.781 -3.738 -1.484 423 2HB CYS 50 2HB CYS 50 4.632 -4.579 -3.023 424 H ALA 51 H ALA 51 1.095 -4.160 -4.083 425 HA ALA 51 HA ALA 51 0.689 -6.745 -2.735 426 1HB ALA 51 1HB ALA 51 -1.169 -4.835 -3.195 427 2HB ALA 51 2HB ALA 51 -1.361 -5.835 -4.634 428 3HB ALA 51 3HB ALA 51 -1.531 -6.553 -3.033 429 H ASP 52 H ASP 52 0.772 -8.627 -3.872 430 HA ASP 52 HA ASP 52 2.242 -8.663 -6.295 431 1HB ASP 52 1HB ASP 52 1.443 -10.542 -4.325 432 2HB ASP 52 2HB ASP 52 0.888 -11.154 -5.881 433 HA PRO 53 HA PRO 53 -1.056 -7.972 -9.178 434 1HB PRO 53 1HB PRO 53 0.235 -9.025 -11.368 435 2HB PRO 53 2HB PRO 53 0.465 -7.381 -10.765 436 1HG PRO 53 1HG PRO 53 2.134 -9.815 -10.316 437 2HG PRO 53 2HG PRO 53 2.644 -8.144 -10.620 438 1HD PRO 53 1HD PRO 53 2.691 -9.206 -8.153 439 2HD PRO 53 2HD PRO 53 2.273 -7.502 -8.425 440 H LYS 54 H LYS 54 0.242 -10.997 -8.280 441 HA LYS 54 HA LYS 54 -1.400 -12.615 -9.992 442 1HB LYS 54 1HB LYS 54 -0.075 -13.531 -7.447 443 2HB LYS 54 2HB LYS 54 -0.475 -14.483 -8.868 444 1HG LYS 54 1HG LYS 54 1.246 -13.389 -10.148 445 2HG LYS 54 2HG LYS 54 1.591 -12.296 -8.807 446 1HD LYS 54 1HD LYS 54 3.261 -13.976 -8.747 447 2HD LYS 54 2HD LYS 54 2.137 -14.344 -7.436 448 1HE LYS 54 1HE LYS 54 1.110 -15.682 -9.647 449 2HE LYS 54 2HE LYS 54 2.853 -15.916 -9.758 450 1HZ LYS 54 1HZ LYS 54 2.488 -16.419 -7.190 451 2HZ LYS 54 2HZ LYS 54 0.971 -16.898 -7.766 452 3HZ LYS 54 3HZ LYS 54 2.374 -17.618 -8.377 453 H GLU 55 H GLU 55 -1.627 -11.306 -6.750 454 HA GLU 55 HA GLU 55 -3.745 -12.882 -5.795 455 1HB GLU 55 1HB GLU 55 -3.470 -9.991 -5.042 456 2HB GLU 55 2HB GLU 55 -3.914 -11.362 -4.035 457 1HG GLU 55 1HG GLU 55 -1.558 -12.189 -4.305 458 2HG GLU 55 2HG GLU 55 -1.184 -10.639 -5.057 459 H GLN 56 H GLN 56 -5.888 -12.860 -6.135 460 HA GLN 56 HA GLN 56 -6.995 -11.569 -8.353 461 1HB GLN 56 1HB GLN 56 -7.841 -13.643 -7.104 462 2HB GLN 56 2HB GLN 56 -8.617 -12.516 -6.000 463 1HG GLN 56 1HG GLN 56 -9.180 -12.990 -8.901 464 2HG GLN 56 2HG GLN 56 -10.281 -13.085 -7.527 465 1HE2 GLN 56 2HE2 GLN 56 -8.641 -10.981 -9.752 466 2HE2 GLN 56 1HE2 GLN 56 -9.550 -9.555 -9.395 467 H TRP 57 H TRP 57 -7.383 -10.825 -4.889 468 HA TRP 57 HA TRP 57 -9.107 -8.711 -5.027 469 1HB TRP 57 1HB TRP 57 -8.444 -8.143 -2.886 470 2HB TRP 57 2HB TRP 57 -7.884 -9.808 -2.990 471 HD1 TRP 57 HD1 TRP 57 -5.183 -10.132 -3.431 472 HE1 TRP 57 HE1 TRP 57 -3.212 -8.661 -2.671 473 HE3 TRP 57 HE3 TRP 57 -7.738 -5.818 -2.416 474 HZ2 TRP 57 HZ2 TRP 57 -2.795 -6.015 -1.760 475 HZ3 TRP 57 HZ3 TRP 57 -6.481 -3.859 -1.601 476 HH2 TRP 57 HH2 TRP 57 -4.059 -3.960 -1.280 477 H VAL 58 H VAL 58 -5.859 -8.827 -6.186 478 HA VAL 58 HA VAL 58 -5.614 -5.934 -6.353 479 HB VAL 58 HB VAL 58 -3.757 -8.048 -7.457 480 1HG1 VAL 58 1HG1 VAL 58 -3.846 -5.235 -7.783 481 2HG1 VAL 58 2HG1 VAL 58 -2.466 -5.612 -6.752 482 3HG1 VAL 58 3HG1 VAL 58 -2.612 -6.364 -8.341 483 1HG2 VAL 58 1HG2 VAL 58 -4.216 -7.986 -4.906 484 2HG2 VAL 58 2HG2 VAL 58 -2.549 -8.028 -5.479 485 3HG2 VAL 58 3HG2 VAL 58 -3.258 -6.505 -4.941 486 H LYS 59 H LYS 59 -5.707 -8.689 -8.618 487 HA LYS 59 HA LYS 59 -5.692 -7.240 -10.990 488 1HB LYS 59 1HB LYS 59 -7.142 -9.832 -10.416 489 2HB LYS 59 2HB LYS 59 -6.760 -9.209 -12.015 490 1HG LYS 59 1HG LYS 59 -4.332 -9.288 -11.319 491 2HG LYS 59 2HG LYS 59 -4.866 -10.217 -9.916 492 1HD LYS 59 1HD LYS 59 -5.996 -11.783 -11.551 493 2HD LYS 59 2HD LYS 59 -5.109 -10.944 -12.824 494 1HE LYS 59 1HE LYS 59 -3.001 -11.476 -11.585 495 2HE LYS 59 2HE LYS 59 -3.963 -12.482 -10.503 496 1HZ LYS 59 1HZ LYS 59 -4.199 -12.951 -13.381 497 2HZ LYS 59 2HZ LYS 59 -2.786 -13.474 -12.613 498 3HZ LYS 59 3HZ LYS 59 -4.290 -14.050 -12.096 499 H ASP 60 H ASP 60 -8.409 -8.194 -8.930 500 HA ASP 60 HA ASP 60 -10.382 -6.985 -10.627 501 1HB ASP 60 1HB ASP 60 -10.360 -8.475 -8.094 502 2HB ASP 60 2HB ASP 60 -11.586 -7.213 -8.165 503 H ALA 61 H ALA 61 -8.729 -6.119 -7.620 504 HA ALA 61 HA ALA 61 -10.094 -3.808 -6.997 505 1HB ALA 61 1HB ALA 61 -7.280 -4.694 -6.535 506 2HB ALA 61 2HB ALA 61 -7.776 -3.066 -6.074 507 3HB ALA 61 3HB ALA 61 -8.587 -4.467 -5.374 508 H MET 62 H MET 62 -7.561 -4.339 -9.370 509 HA MET 62 HA MET 62 -7.205 -1.570 -9.996 510 1HB MET 62 1HB MET 62 -6.422 -4.075 -11.498 511 2HB MET 62 2HB MET 62 -5.952 -2.448 -11.974 512 1HG MET 62 1HG MET 62 -4.962 -2.287 -9.598 513 2HG MET 62 2HG MET 62 -5.077 -4.046 -9.607 514 1HE MET 62 1HE MET 62 -4.450 -5.025 -12.381 515 2HE MET 62 2HE MET 62 -2.691 -5.108 -12.450 516 3HE MET 62 3HE MET 62 -3.542 -5.635 -10.998 517 H GLN 63 H GLN 63 -8.604 -4.265 -11.884 518 HA GLN 63 HA GLN 63 -9.661 -2.864 -13.975 519 1HB GLN 63 1HB GLN 63 -9.803 -5.410 -13.346 520 2HB GLN 63 2HB GLN 63 -11.359 -4.958 -12.665 521 1HG GLN 63 1HG GLN 63 -12.121 -4.169 -14.805 522 2HG GLN 63 2HG GLN 63 -10.530 -4.454 -15.513 523 1HE2 GLN 63 1HE2 GLN 63 -13.563 -5.774 -14.790 524 2HE2 GLN 63 2HE2 GLN 63 -13.245 -7.398 -15.283 525 H HIS 64 H HIS 64 -10.677 -2.884 -10.671 526 HA HIS 64 HA HIS 64 -13.234 -1.684 -11.103 527 1HB HIS 64 1HB HIS 64 -12.702 -3.063 -9.106 528 2HB HIS 64 2HB HIS 64 -11.594 -1.806 -8.567 529 HD1 HIS 64 HD1 HIS 64 -15.270 -1.950 -9.574 530 HD2 HIS 64 HD2 HIS 64 -12.768 -0.185 -6.765 531 HE1 HIS 64 HE1 HIS 64 -16.779 -0.603 -8.081 532 HE2 HIS 64 HE2 HIS 64 -15.236 0.507 -6.427 533 H LEU 65 H LEU 65 -10.238 -0.455 -9.612 534 HA LEU 65 HA LEU 65 -10.978 2.202 -9.389 535 1HB LEU 65 1HB LEU 65 -8.329 0.848 -9.737 536 2HB LEU 65 2HB LEU 65 -8.422 2.597 -9.691 537 HG LEU 65 HG LEU 65 -9.255 0.695 -7.502 538 1HD1 LEU 65 1HD1 LEU 65 -6.759 1.693 -8.151 539 2HD1 LEU 65 2HD1 LEU 65 -7.330 2.766 -6.873 540 3HD1 LEU 65 3HD1 LEU 65 -7.251 1.026 -6.594 541 1HD2 LEU 65 1HD2 LEU 65 -9.837 3.554 -7.971 542 2HD2 LEU 65 2HD2 LEU 65 -10.749 2.339 -7.072 543 3HD2 LEU 65 3HD2 LEU 65 -9.337 3.104 -6.341 544 H ASP 66 H ASP 66 -10.088 0.398 -12.200 545 HA ASP 66 HA ASP 66 -9.297 2.514 -13.883 546 1HB ASP 66 1HB ASP 66 -10.629 -0.094 -14.644 547 2HB ASP 66 2HB ASP 66 -9.730 0.964 -15.728 548 H ARG 67 H ARG 67 -12.415 1.358 -12.865 549 HA ARG 67 HA ARG 67 -13.800 2.980 -14.857 550 1HB ARG 67 1HB ARG 67 -14.983 1.257 -12.676 551 2HB ARG 67 2HB ARG 67 -15.831 1.940 -14.056 552 1HG ARG 67 1HG ARG 67 -13.625 -0.102 -14.224 553 2HG ARG 67 2HG ARG 67 -15.351 -0.456 -14.315 554 1HD ARG 67 1HD ARG 67 -13.680 1.137 -16.245 555 2HD ARG 67 2HD ARG 67 -14.548 -0.369 -16.546 556 HE ARG 67 HE ARG 67 -15.657 2.307 -16.486 557 1HH1 ARG 67 1HH1 ARG 67 -16.282 -1.118 -16.416 558 2HH1 ARG 67 2HH1 ARG 67 -17.925 -0.961 -16.939 559 1HH2 ARG 67 1HH2 ARG 67 -17.820 2.528 -17.171 560 2HH2 ARG 67 2HH2 ARG 67 -18.801 1.113 -17.368 561 H GLN 68 H GLN 68 -12.181 4.066 -12.560 562 HA GLN 68 HA GLN 68 -14.280 5.825 -11.486 563 1HB GLN 68 1HB GLN 68 -12.069 4.423 -10.024 564 2HB GLN 68 2HB GLN 68 -12.672 5.966 -9.431 565 1HG GLN 68 1HG GLN 68 -14.626 5.090 -8.729 566 2HG GLN 68 2HG GLN 68 -14.709 3.931 -10.056 567 1HE2 GLN 68 2HE2 GLN 68 -13.141 2.117 -9.936 568 2HE2 GLN 68 1HE2 GLN 68 -12.818 1.438 -8.381 569 H ALA 69 H ALA 69 -10.720 5.569 -11.556 570 HA ALA 69 HA ALA 69 -10.283 8.354 -11.602 571 1HB ALA 69 1HB ALA 69 -8.700 6.034 -11.465 572 2HB ALA 69 2HB ALA 69 -8.115 6.960 -12.848 573 3HB ALA 69 3HB ALA 69 -8.188 7.708 -11.253 574 H ALA 70 H ALA 70 -11.401 6.259 -13.995 575 HA ALA 70 HA ALA 70 -10.256 7.473 -16.297 576 1HB ALA 70 1HB ALA 70 -12.323 5.460 -15.740 577 2HB ALA 70 2HB ALA 70 -12.543 6.367 -17.237 578 3HB ALA 70 3HB ALA 70 -11.046 5.475 -16.958 579 H ALA 71 H ALA 71 -12.391 8.689 -14.078 580 HA ALA 71 HA ALA 71 -13.029 10.937 -15.697 581 1HB ALA 71 1HB ALA 71 -14.720 9.319 -16.501 582 2HB ALA 71 2HB ALA 71 -15.348 9.206 -14.857 583 3HB ALA 71 3HB ALA 71 -15.430 10.737 -15.729 584 H LEU 72 H LEU 72 -11.833 10.180 -13.095 585 HA LEU 72 HA LEU 72 -11.641 11.113 -11.029 586 1HB LEU 72 1HB LEU 72 -12.980 13.067 -12.573 587 2HB LEU 72 2HB LEU 72 -13.802 12.996 -11.026 588 HG LEU 72 HG LEU 72 -12.174 14.653 -10.743 589 1HD1 LEU 72 1HD1 LEU 72 -12.142 12.506 -9.152 590 2HD1 LEU 72 2HD1 LEU 72 -10.472 12.463 -9.719 591 3HD1 LEU 72 3HD1 LEU 72 -11.091 13.901 -8.905 592 1HD2 LEU 72 1HD2 LEU 72 -10.691 13.057 -12.655 593 2HD2 LEU 72 2HD2 LEU 72 -10.572 14.777 -12.285 594 3HD2 LEU 72 3HD2 LEU 72 -9.679 13.604 -11.318 595 H THR 73 H THR 73 -15.112 11.712 -11.432 596 HA THR 73 HA THR 73 -15.847 10.691 -8.952 597 HB THR 73 HB THR 73 -17.511 11.990 -9.857 598 HG1 THR 73 HG1 THR 73 -19.084 10.648 -9.621 599 1HG2 THR 73 1HG2 THR 73 -16.718 10.800 -12.440 600 2HG2 THR 73 2HG2 THR 73 -18.399 11.304 -12.266 601 3HG2 THR 73 3HG2 THR 73 -17.097 12.471 -12.022 602 H ARG 74 H ARG 74 -17.353 9.112 -11.683 603 HA ARG 74 HA ARG 74 -16.049 6.676 -11.708 604 1HB ARG 74 1HB ARG 74 -17.928 5.421 -10.337 605 2HB ARG 74 2HB ARG 74 -16.492 6.057 -9.545 606 1HG ARG 74 1HG ARG 74 -17.637 7.726 -8.496 607 2HG ARG 74 2HG ARG 74 -18.870 7.822 -9.754 608 1HD ARG 74 1HD ARG 74 -20.026 5.971 -8.932 609 2HD ARG 74 2HD ARG 74 -18.637 5.398 -8.008 610 HE ARG 74 HE ARG 74 -20.618 7.268 -7.150 611 1HH1 ARG 74 1HH1 ARG 74 -17.278 6.344 -6.805 612 2HH1 ARG 74 2HH1 ARG 74 -17.121 7.017 -5.218 613 1HH2 ARG 74 1HH2 ARG 74 -20.422 8.158 -5.060 614 2HH2 ARG 74 2HH2 ARG 74 -18.910 8.049 -4.224 615 H ASN 75 H ASN 75 -16.730 5.712 -13.505 616 HA ASN 75 HA ASN 75 -19.501 6.197 -14.384 617 1HB ASN 75 1HB ASN 75 -18.789 6.309 -16.631 618 2HB ASN 75 2HB ASN 75 -17.605 7.260 -15.740 619 1HD2 ASN 75 2HD2 ASN 75 -17.108 6.214 -18.256 620 2HD2 ASN 75 1HD2 ASN 75 -15.878 5.010 -18.130 621 H GLY 76 H GLY 76 -18.125 3.958 -12.812 622 1HA GLY 76 1HA GLY 76 -18.056 1.642 -14.421 623 2HA GLY 76 2HA GLY 76 -18.249 1.670 -12.675 Start of MODEL 12 1 2H MET 0 2H MET 0 21.581 6.937 -0.180 2 3H MET 0 3H MET 0 21.031 6.012 1.155 3 1H MET 0 1H MET 0 22.705 6.056 0.772 4 HA MET 0 HA MET 0 20.656 4.392 -0.216 5 1HB MET 0 1HB MET 0 21.013 6.384 -1.935 6 2HB MET 0 2HB MET 0 22.432 5.442 -2.375 7 1HG MET 0 1HG MET 0 19.561 4.551 -2.461 8 2HG MET 0 2HG MET 0 20.624 4.868 -3.831 9 1HE MET 0 1HE MET 0 22.827 3.848 -4.063 10 2HE MET 0 2HE MET 0 23.265 2.194 -3.637 11 3HE MET 0 3HE MET 0 22.115 2.494 -4.941 12 H GLN 1 H GLN 1 22.516 3.886 1.621 13 HA GLN 1 HA GLN 1 24.146 1.884 0.346 14 1HB GLN 1 1HB GLN 1 26.225 2.773 1.601 15 2HB GLN 1 2HB GLN 1 25.776 3.525 0.077 16 1HG GLN 1 1HG GLN 1 24.937 5.434 1.134 17 2HG GLN 1 2HG GLN 1 24.868 4.637 2.707 18 1HE2 GLN 1 2HE2 GLN 1 27.278 3.562 3.033 19 2HE2 GLN 1 1HE2 GLN 1 28.514 4.770 3.016 20 H HIS 2 H HIS 2 21.989 2.239 2.404 21 HA HIS 2 HA HIS 2 23.332 1.109 4.757 22 1HB HIS 2 1HB HIS 2 20.672 2.444 4.342 23 2HB HIS 2 2HB HIS 2 20.954 1.430 5.754 24 HD1 HIS 2 HD1 HIS 2 23.945 2.389 6.201 25 HD2 HIS 2 HD2 HIS 2 20.627 4.841 5.713 26 HE1 HIS 2 HE1 HIS 2 24.559 4.574 7.283 27 HE2 HIS 2 HE2 HIS 2 22.568 6.071 6.898 28 H HIS 3 H HIS 3 20.130 0.601 3.281 29 HA HIS 3 HA HIS 3 20.471 -2.008 2.424 30 1HB HIS 3 1HB HIS 3 19.140 -3.106 4.396 31 2HB HIS 3 2HB HIS 3 20.886 -2.906 4.518 32 HD1 HIS 3 HD1 HIS 3 21.702 -1.744 6.553 33 HD2 HIS 3 HD2 HIS 3 17.692 -0.949 5.807 34 HE1 HIS 3 HE1 HIS 3 20.905 -0.397 8.522 35 HE2 HIS 3 HE2 HIS 3 18.488 0.111 8.026 36 H GLY 4 H GLY 4 18.278 0.221 4.062 37 1HA GLY 4 1HA GLY 4 16.005 -0.879 2.580 38 2HA GLY 4 2HA GLY 4 15.917 0.285 3.895 39 H VAL 5 H VAL 5 18.340 1.399 2.042 40 HA VAL 5 HA VAL 5 16.524 3.134 0.506 41 HB VAL 5 HB VAL 5 18.780 4.534 0.398 42 1HG1 VAL 5 1HG1 VAL 5 16.751 4.420 2.607 43 2HG1 VAL 5 2HG1 VAL 5 18.009 5.656 2.560 44 3HG1 VAL 5 3HG1 VAL 5 16.839 5.538 1.245 45 1HG2 VAL 5 1HG2 VAL 5 20.059 2.805 1.623 46 2HG2 VAL 5 2HG2 VAL 5 20.075 4.375 2.425 47 3HG2 VAL 5 3HG2 VAL 5 19.034 3.087 3.030 48 H THR 6 H THR 6 16.364 2.402 -1.518 49 HA THR 6 HA THR 6 18.853 1.680 -2.920 50 HB THR 6 HB THR 6 17.923 -0.314 -3.314 51 HG1 THR 6 HG1 THR 6 16.133 -0.320 -4.828 52 1HG2 THR 6 1HG2 THR 6 15.360 0.843 -2.263 53 2HG2 THR 6 2HG2 THR 6 15.510 -0.815 -2.846 54 3HG2 THR 6 3HG2 THR 6 16.462 -0.277 -1.462 55 H LYS 7 H LYS 7 16.796 4.109 -2.631 56 HA LYS 7 HA LYS 7 16.611 5.987 -3.957 57 1HB LYS 7 1HB LYS 7 18.533 4.796 -5.322 58 2HB LYS 7 2HB LYS 7 17.229 4.469 -6.455 59 1HG LYS 7 1HG LYS 7 17.782 6.446 -7.330 60 2HG LYS 7 2HG LYS 7 16.865 7.118 -5.980 61 1HD LYS 7 1HD LYS 7 18.741 7.757 -4.848 62 2HD LYS 7 2HD LYS 7 19.721 6.447 -5.513 63 1HE LYS 7 1HE LYS 7 18.913 9.021 -6.849 64 2HE LYS 7 2HE LYS 7 20.540 8.474 -6.444 65 1HZ LYS 7 1HZ LYS 7 19.840 6.502 -8.015 66 2HZ LYS 7 2HZ LYS 7 18.808 7.675 -8.660 67 3HZ LYS 7 3HZ LYS 7 20.478 7.940 -8.636 68 H CYS 8 H CYS 8 14.507 4.420 -3.205 69 HA CYS 8 HA CYS 8 12.616 4.979 -5.330 70 1HB CYS 8 1HB CYS 8 13.596 2.388 -5.088 71 2HB CYS 8 2HB CYS 8 12.059 2.340 -4.232 72 H ASN 9 H ASN 9 11.417 6.367 -4.180 73 HA ASN 9 HA ASN 9 10.939 6.672 -1.576 74 1HB ASN 9 1HB ASN 9 8.387 7.049 -2.462 75 2HB ASN 9 2HB ASN 9 9.687 8.223 -2.641 76 1HD2 ASN 9 2HD2 ASN 9 7.520 6.126 -4.229 77 2HD2 ASN 9 1HD2 ASN 9 8.032 6.446 -5.848 78 H ILE 10 H ILE 10 9.361 4.230 -3.587 79 HA ILE 10 HA ILE 10 8.582 2.818 -1.130 80 HB ILE 10 HB ILE 10 6.635 4.049 -2.204 81 1HG1 ILE 10 1HG1 ILE 10 6.058 1.123 -2.213 82 2HG1 ILE 10 2HG1 ILE 10 6.706 1.833 -0.738 83 1HG2 ILE 10 1HG2 ILE 10 7.495 3.242 -4.538 84 2HG2 ILE 10 2HG2 ILE 10 6.528 1.814 -4.173 85 3HG2 ILE 10 3HG2 ILE 10 5.766 3.402 -4.230 86 1HD1 ILE 10 1HD1 ILE 10 4.360 3.083 -2.081 87 2HD1 ILE 10 2HD1 ILE 10 4.151 1.656 -1.065 88 3HD1 ILE 10 3HD1 ILE 10 4.845 3.128 -0.386 89 H THR 11 H THR 11 9.346 0.816 -1.113 90 HA THR 11 HA THR 11 9.971 -0.475 -3.687 91 HB THR 11 HB THR 11 11.889 0.078 -2.106 92 HG1 THR 11 HG1 THR 11 11.664 -1.780 -3.740 93 1HG2 THR 11 1HG2 THR 11 10.293 -1.326 -0.254 94 2HG2 THR 11 2HG2 THR 11 11.728 -2.301 -0.569 95 3HG2 THR 11 3HG2 THR 11 11.899 -0.634 -0.020 96 H CYS 12 H CYS 12 9.556 -2.713 -3.907 97 HA CYS 12 HA CYS 12 7.419 -3.669 -2.132 98 1HB CYS 12 1HB CYS 12 8.110 -4.400 -4.982 99 2HB CYS 12 2HB CYS 12 6.870 -5.215 -4.033 100 H SER 13 H SER 13 9.198 -4.258 -0.623 101 HA SER 13 HA SER 13 10.996 -6.365 -1.303 102 1HB SER 13 1HB SER 13 10.600 -6.280 1.515 103 2HB SER 13 2HB SER 13 11.961 -5.651 0.587 104 HG SER 13 HG SER 13 10.540 -4.174 1.969 105 H LYS 14 H LYS 14 7.826 -6.201 0.211 106 HA LYS 14 HA LYS 14 7.569 -9.093 -0.133 107 1HB LYS 14 1HB LYS 14 6.912 -7.645 2.438 108 2HB LYS 14 2HB LYS 14 6.543 -9.331 2.100 109 1HG LYS 14 1HG LYS 14 9.364 -8.525 1.782 110 2HG LYS 14 2HG LYS 14 8.724 -8.529 3.427 111 1HD LYS 14 1HD LYS 14 8.082 -10.835 3.234 112 2HD LYS 14 2HD LYS 14 8.498 -10.852 1.519 113 1HE LYS 14 1HE LYS 14 10.749 -10.926 1.924 114 2HE LYS 14 2HE LYS 14 10.607 -10.086 3.468 115 1HZ LYS 14 1HZ LYS 14 9.461 -12.201 4.257 116 2HZ LYS 14 2HZ LYS 14 10.094 -12.934 2.873 117 3HZ LYS 14 3HZ LYS 14 11.135 -12.268 4.029 118 H MET 15 H MET 15 5.153 -9.660 0.619 119 HA MET 15 HA MET 15 3.442 -7.770 -0.847 120 1HB MET 15 1HB MET 15 3.146 -10.740 -0.375 121 2HB MET 15 2HB MET 15 1.929 -9.741 -1.157 122 1HG MET 15 1HG MET 15 4.633 -10.539 -2.142 123 2HG MET 15 2HG MET 15 3.063 -10.705 -2.927 124 1HE MET 15 1HE MET 15 5.995 -9.574 -3.822 125 2HE MET 15 2HE MET 15 6.014 -7.849 -4.190 126 3HE MET 15 3HE MET 15 6.237 -8.398 -2.529 127 H THR 16 H THR 16 1.153 -7.678 -0.137 128 HA THR 16 HA THR 16 0.994 -7.759 2.804 129 HB THR 16 HB THR 16 0.873 -5.505 1.684 130 HG1 THR 16 HG1 THR 16 -0.239 -4.996 3.371 131 1HG2 THR 16 1HG2 THR 16 -1.003 -6.750 0.028 132 2HG2 THR 16 2HG2 THR 16 -1.911 -5.627 1.040 133 3HG2 THR 16 3HG2 THR 16 -0.559 -5.043 0.069 134 H SER 17 H SER 17 -1.712 -7.385 3.104 135 HA SER 17 HA SER 17 -2.755 -9.956 2.139 136 1HB SER 17 1HB SER 17 -3.509 -8.269 4.533 137 2HB SER 17 2HB SER 17 -4.393 -9.712 4.036 138 HG SER 17 HG SER 17 -2.086 -10.643 4.132 139 H LYS 18 H LYS 18 -5.403 -9.709 2.411 140 HA LYS 18 HA LYS 18 -6.134 -8.150 0.139 141 1HB LYS 18 1HB LYS 18 -7.157 -10.371 1.017 142 2HB LYS 18 2HB LYS 18 -8.118 -9.331 2.059 143 1HG LYS 18 1HG LYS 18 -8.764 -8.102 -0.098 144 2HG LYS 18 2HG LYS 18 -8.135 -9.527 -0.927 145 1HD LYS 18 1HD LYS 18 -9.809 -10.887 -0.158 146 2HD LYS 18 2HD LYS 18 -10.057 -9.933 1.308 147 1HE LYS 18 1HE LYS 18 -10.756 -8.153 -0.628 148 2HE LYS 18 2HE LYS 18 -11.284 -9.675 -1.345 149 1HZ LYS 18 1HZ LYS 18 -12.123 -9.799 1.258 150 2HZ LYS 18 2HZ LYS 18 -12.431 -8.199 0.807 151 3HZ LYS 18 3HZ LYS 18 -13.088 -9.473 -0.092 152 H ILE 19 H ILE 19 -7.387 -6.309 0.009 153 HA ILE 19 HA ILE 19 -8.111 -4.962 2.510 154 HB ILE 19 HB ILE 19 -6.576 -3.613 0.287 155 1HG1 ILE 19 1HG1 ILE 19 -5.699 -4.169 3.127 156 2HG1 ILE 19 2HG1 ILE 19 -5.231 -5.155 1.744 157 1HG2 ILE 19 1HG2 ILE 19 -8.377 -2.349 1.674 158 2HG2 ILE 19 2HG2 ILE 19 -7.160 -2.394 2.950 159 3HG2 ILE 19 3HG2 ILE 19 -6.796 -1.610 1.412 160 1HD1 ILE 19 1HD1 ILE 19 -4.252 -3.068 0.737 161 2HD1 ILE 19 2HD1 ILE 19 -4.512 -2.296 2.302 162 3HD1 ILE 19 3HD1 ILE 19 -3.439 -3.689 2.174 163 HA PRO 20 HA PRO 20 -11.929 -4.176 0.449 164 1HB PRO 20 1HB PRO 20 -12.497 -1.753 1.679 165 2HB PRO 20 2HB PRO 20 -12.867 -3.345 2.347 166 1HG PRO 20 1HG PRO 20 -10.566 -1.530 2.928 167 2HG PRO 20 2HG PRO 20 -11.495 -2.557 4.036 168 1HD PRO 20 1HD PRO 20 -9.059 -3.270 3.183 169 2HD PRO 20 2HD PRO 20 -10.344 -4.473 3.421 170 H VAL 21 H VAL 21 -11.999 -3.551 -1.605 171 HA VAL 21 HA VAL 21 -10.328 -1.662 -2.802 172 HB VAL 21 HB VAL 21 -11.660 -3.488 -3.955 173 1HG1 VAL 21 1HG1 VAL 21 -13.821 -2.110 -2.898 174 2HG1 VAL 21 2HG1 VAL 21 -13.857 -1.720 -4.616 175 3HG1 VAL 21 3HG1 VAL 21 -13.881 -3.403 -4.095 176 1HG2 VAL 21 1HG2 VAL 21 -11.578 -0.687 -5.058 177 2HG2 VAL 21 2HG2 VAL 21 -10.395 -1.977 -5.282 178 3HG2 VAL 21 3HG2 VAL 21 -11.989 -2.102 -6.028 179 H ALA 22 H ALA 22 -13.199 -1.239 -0.974 180 HA ALA 22 HA ALA 22 -14.140 1.184 -2.065 181 1HB ALA 22 1HB ALA 22 -15.299 -0.407 -0.420 182 2HB ALA 22 2HB ALA 22 -14.417 0.466 0.834 183 3HB ALA 22 3HB ALA 22 -15.548 1.327 -0.210 184 H LEU 23 H LEU 23 -11.283 0.522 -0.441 185 HA LEU 23 HA LEU 23 -11.035 3.271 0.566 186 1HB LEU 23 1HB LEU 23 -9.036 1.104 1.090 187 2HB LEU 23 2HB LEU 23 -9.388 2.534 2.043 188 HG LEU 23 HG LEU 23 -10.946 -0.031 1.886 189 1HD1 LEU 23 1HD1 LEU 23 -9.033 0.289 3.500 190 2HD1 LEU 23 2HD1 LEU 23 -10.013 1.528 4.282 191 3HD1 LEU 23 3HD1 LEU 23 -10.584 -0.138 4.220 192 1HD2 LEU 23 1HD2 LEU 23 -11.890 2.696 2.610 193 2HD2 LEU 23 2HD2 LEU 23 -12.743 1.384 1.797 194 3HD2 LEU 23 3HD2 LEU 23 -12.475 1.317 3.540 195 H LEU 24 H LEU 24 -9.971 1.125 -1.887 196 HA LEU 24 HA LEU 24 -7.475 2.322 -2.492 197 1HB LEU 24 1HB LEU 24 -9.380 0.662 -4.134 198 2HB LEU 24 2HB LEU 24 -7.838 1.221 -4.748 199 HG LEU 24 HG LEU 24 -8.187 -0.557 -2.331 200 1HD1 LEU 24 1HD1 LEU 24 -7.462 -1.179 -5.184 201 2HD1 LEU 24 2HD1 LEU 24 -7.165 -2.278 -3.840 202 3HD1 LEU 24 3HD1 LEU 24 -8.815 -1.811 -4.248 203 1HD2 LEU 24 1HD2 LEU 24 -5.828 0.673 -3.685 204 2HD2 LEU 24 2HD2 LEU 24 -6.169 0.492 -1.965 205 3HD2 LEU 24 3HD2 LEU 24 -5.668 -0.906 -2.917 206 H ILE 25 H ILE 25 -6.956 4.063 -3.671 207 HA ILE 25 HA ILE 25 -9.150 5.530 -4.982 208 HB ILE 25 HB ILE 25 -7.877 7.597 -4.567 209 1HG1 ILE 25 1HG1 ILE 25 -6.117 6.043 -2.685 210 2HG1 ILE 25 2HG1 ILE 25 -5.661 6.258 -4.372 211 1HG2 ILE 25 1HG2 ILE 25 -9.621 6.714 -2.991 212 2HG2 ILE 25 2HG2 ILE 25 -8.305 6.094 -1.995 213 3HG2 ILE 25 3HG2 ILE 25 -8.457 7.829 -2.273 214 1HD1 ILE 25 1HD1 ILE 25 -6.395 8.790 -3.338 215 2HD1 ILE 25 2HD1 ILE 25 -5.284 8.026 -2.202 216 3HD1 ILE 25 3HD1 ILE 25 -4.815 8.235 -3.889 217 H HIS 26 H HIS 26 -5.797 4.500 -5.184 218 HA HIS 26 HA HIS 26 -5.873 4.469 -8.033 219 1HB HIS 26 1HB HIS 26 -4.840 6.849 -6.696 220 2HB HIS 26 2HB HIS 26 -3.659 6.112 -7.774 221 HD1 HIS 26 HD1 HIS 26 -4.714 5.606 -10.292 222 HD2 HIS 26 HD2 HIS 26 -6.521 8.537 -7.968 223 HE1 HIS 26 HE1 HIS 26 -6.029 7.025 -11.901 224 HE2 HIS 26 HE2 HIS 26 -7.150 8.765 -10.466 225 H TYR 27 H TYR 27 -4.104 3.383 -8.943 226 HA TYR 27 HA TYR 27 -2.287 2.152 -6.977 227 1HB TYR 27 1HB TYR 27 -2.307 0.126 -8.256 228 2HB TYR 27 2HB TYR 27 -3.982 0.606 -8.000 229 HD1 TYR 27 HD1 TYR 27 -1.230 0.773 -10.509 230 HD2 TYR 27 HD2 TYR 27 -5.436 0.811 -9.819 231 HE1 TYR 27 HE1 TYR 27 -1.623 0.666 -12.938 232 HE2 TYR 27 HE2 TYR 27 -5.841 0.703 -12.247 233 HH TYR 27 HH TYR 27 -3.982 1.506 -14.462 234 H GLN 28 H GLN 28 -0.128 1.949 -7.487 235 HA GLN 28 HA GLN 28 0.745 3.444 -9.868 236 1HB GLN 28 1HB GLN 28 2.705 2.990 -7.716 237 2HB GLN 28 2HB GLN 28 2.376 4.440 -8.655 238 1HG GLN 28 1HG GLN 28 0.482 3.503 -6.538 239 2HG GLN 28 2HG GLN 28 1.902 4.471 -6.137 240 1HE2 GLN 28 2HE2 GLN 28 -0.583 5.404 -5.562 241 2HE2 GLN 28 1HE2 GLN 28 -0.973 6.733 -6.593 242 H GLN 29 H GLN 29 2.989 2.776 -10.625 243 HA GLN 29 HA GLN 29 3.125 -0.167 -10.673 244 1HB GLN 29 1HB GLN 29 2.590 1.045 -12.832 245 2HB GLN 29 2HB GLN 29 4.216 1.714 -12.766 246 1HG GLN 29 1HG GLN 29 5.207 -0.275 -13.270 247 2HG GLN 29 2HG GLN 29 3.905 -1.230 -12.562 248 1HE2 GLN 29 2HE2 GLN 29 2.079 -1.679 -13.779 249 2HE2 GLN 29 1HE2 GLN 29 2.034 -1.462 -15.492 250 H ASN 30 H ASN 30 4.651 -0.798 -9.277 251 HA ASN 30 HA ASN 30 6.814 0.700 -8.378 252 1HB ASN 30 1HB ASN 30 5.806 -1.550 -7.507 253 2HB ASN 30 2HB ASN 30 7.000 -2.287 -8.572 254 1HD2 ASN 30 2HD2 ASN 30 8.496 -3.058 -7.244 255 2HD2 ASN 30 1HD2 ASN 30 9.327 -2.147 -6.035 256 H GLN 31 H GLN 31 9.067 0.551 -8.805 257 HA GLN 31 HA GLN 31 9.648 0.307 -11.628 258 1HB GLN 31 1HB GLN 31 10.925 1.527 -9.273 259 2HB GLN 31 2HB GLN 31 12.048 0.858 -10.450 260 1HG GLN 31 1HG GLN 31 9.851 2.589 -11.442 261 2HG GLN 31 2HG GLN 31 11.197 3.347 -10.591 262 1HE2 GLN 31 2HE2 GLN 31 11.547 4.396 -12.668 263 2HE2 GLN 31 1HE2 GLN 31 12.465 3.574 -13.879 264 H ALA 32 H ALA 32 11.004 -1.160 -12.592 265 HA ALA 32 HA ALA 32 11.200 -3.721 -11.432 266 1HB ALA 32 1HB ALA 32 11.103 -3.201 -13.888 267 2HB ALA 32 2HB ALA 32 12.800 -2.733 -13.781 268 3HB ALA 32 3HB ALA 32 12.318 -4.390 -13.421 269 H SER 33 H SER 33 13.240 -0.968 -11.322 270 HA SER 33 HA SER 33 15.615 -2.430 -10.561 271 1HB SER 33 1HB SER 33 16.309 0.071 -9.973 272 2HB SER 33 2HB SER 33 16.273 -0.507 -11.639 273 HG SER 33 HG SER 33 14.786 0.908 -12.024 274 H CYS 34 H CYS 34 12.813 -1.455 -9.012 275 HA CYS 34 HA CYS 34 14.148 -1.364 -6.391 276 1HB CYS 34 1HB CYS 34 11.308 -0.503 -6.857 277 2HB CYS 34 2HB CYS 34 12.407 -0.029 -5.566 278 H GLY 35 H GLY 35 13.665 -2.856 -4.866 279 1HA GLY 35 1HA GLY 35 13.050 -4.999 -4.207 280 2HA GLY 35 2HA GLY 35 11.455 -4.270 -4.322 281 H LYS 36 H LYS 36 10.272 -5.946 -5.077 282 HA LYS 36 HA LYS 36 11.217 -7.325 -7.492 283 1HB LYS 36 1HB LYS 36 9.071 -8.067 -5.495 284 2HB LYS 36 2HB LYS 36 9.428 -8.985 -6.953 285 1HG LYS 36 1HG LYS 36 10.799 -10.167 -5.660 286 2HG LYS 36 2HG LYS 36 11.888 -8.783 -5.773 287 1HD LYS 36 1HD LYS 36 10.769 -7.844 -3.738 288 2HD LYS 36 2HD LYS 36 9.896 -9.370 -3.590 289 1HE LYS 36 1HE LYS 36 12.420 -10.283 -3.820 290 2HE LYS 36 2HE LYS 36 12.720 -8.736 -3.031 291 1HZ LYS 36 1HZ LYS 36 10.713 -9.651 -1.556 292 2HZ LYS 36 2HZ LYS 36 11.419 -11.122 -2.004 293 3HZ LYS 36 3HZ LYS 36 12.337 -9.955 -1.193 294 H ARG 37 H ARG 37 9.562 -7.862 -9.132 295 HA ARG 37 HA ARG 37 8.210 -5.526 -9.990 296 1HB ARG 37 1HB ARG 37 7.469 -6.846 -11.867 297 2HB ARG 37 2HB ARG 37 9.142 -7.256 -11.515 298 1HG ARG 37 1HG ARG 37 7.772 -9.091 -10.022 299 2HG ARG 37 2HG ARG 37 6.748 -8.919 -11.450 300 1HD ARG 37 1HD ARG 37 9.283 -9.037 -12.512 301 2HD ARG 37 2HD ARG 37 9.368 -10.167 -11.161 302 HE ARG 37 HE ARG 37 8.018 -11.593 -12.327 303 1HH1 ARG 37 1HH1 ARG 37 7.765 -8.412 -13.718 304 2HH1 ARG 37 2HH1 ARG 37 6.809 -8.934 -15.065 305 1HH2 ARG 37 1HH2 ARG 37 6.757 -12.293 -14.095 306 2HH2 ARG 37 2HH2 ARG 37 6.236 -11.141 -15.278 307 H ALA 38 H ALA 38 6.778 -4.989 -8.289 308 HA ALA 38 HA ALA 38 4.375 -6.695 -8.178 309 1HB ALA 38 1HB ALA 38 6.035 -6.160 -6.062 310 2HB ALA 38 2HB ALA 38 4.757 -4.960 -5.867 311 3HB ALA 38 3HB ALA 38 4.352 -6.675 -5.945 312 H ILE 39 H ILE 39 2.727 -5.004 -6.765 313 HA ILE 39 HA ILE 39 2.531 -2.628 -8.498 314 HB ILE 39 HB ILE 39 0.318 -4.477 -7.617 315 1HG1 ILE 39 1HG1 ILE 39 1.760 -4.909 -9.715 316 2HG1 ILE 39 2HG1 ILE 39 0.008 -4.954 -9.892 317 1HG2 ILE 39 1HG2 ILE 39 0.191 -1.687 -8.710 318 2HG2 ILE 39 2HG2 ILE 39 -1.136 -2.828 -8.920 319 3HG2 ILE 39 3HG2 ILE 39 -0.625 -2.360 -7.299 320 1HD1 ILE 39 1HD1 ILE 39 1.109 -2.307 -10.340 321 2HD1 ILE 39 2HD1 ILE 39 1.762 -3.521 -11.440 322 3HD1 ILE 39 3HD1 ILE 39 0.019 -3.270 -11.339 323 H ILE 40 H ILE 40 1.546 -0.777 -7.591 324 HA ILE 40 HA ILE 40 1.669 -0.713 -4.653 325 HB ILE 40 HB ILE 40 1.810 1.576 -6.623 326 1HG1 ILE 40 1HG1 ILE 40 3.783 -0.086 -6.420 327 2HG1 ILE 40 2HG1 ILE 40 4.127 1.635 -6.289 328 1HG2 ILE 40 1HG2 ILE 40 0.787 2.067 -4.375 329 2HG2 ILE 40 2HG2 ILE 40 2.349 1.660 -3.666 330 3HG2 ILE 40 3HG2 ILE 40 2.214 3.015 -4.786 331 1HD1 ILE 40 1HD1 ILE 40 3.606 0.062 -3.817 332 2HD1 ILE 40 2HD1 ILE 40 5.175 -0.050 -4.612 333 3HD1 ILE 40 3HD1 ILE 40 4.583 1.512 -4.046 334 H LEU 41 H LEU 41 -0.032 0.035 -3.440 335 HA LEU 41 HA LEU 41 -2.487 0.759 -4.901 336 1HB LEU 41 1HB LEU 41 -2.229 -1.065 -2.511 337 2HB LEU 41 2HB LEU 41 -3.755 -0.446 -3.113 338 HG LEU 41 HG LEU 41 -1.863 -2.246 -4.629 339 1HD1 LEU 41 1HD1 LEU 41 -4.271 -2.716 -2.965 340 2HD1 LEU 41 2HD1 LEU 41 -4.093 -3.666 -4.441 341 3HD1 LEU 41 3HD1 LEU 41 -2.841 -3.722 -3.202 342 1HD2 LEU 41 1HD2 LEU 41 -3.858 -0.469 -5.568 343 2HD2 LEU 41 2HD2 LEU 41 -2.932 -1.660 -6.481 344 3HD2 LEU 41 3HD2 LEU 41 -4.471 -2.114 -5.750 345 H GLU 42 H GLU 42 -3.136 2.729 -4.392 346 HA GLU 42 HA GLU 42 -2.411 3.838 -1.766 347 1HB GLU 42 1HB GLU 42 -1.703 4.973 -3.962 348 2HB GLU 42 2HB GLU 42 -3.393 5.429 -4.124 349 1HG GLU 42 1HG GLU 42 -3.322 6.736 -2.152 350 2HG GLU 42 2HG GLU 42 -1.743 6.092 -1.702 351 H THR 43 H THR 43 -3.957 4.343 -0.319 352 HA THR 43 HA THR 43 -6.751 3.988 -1.168 353 HB THR 43 HB THR 43 -7.276 3.509 1.134 354 HG1 THR 43 HG1 THR 43 -5.398 5.044 1.789 355 1HG2 THR 43 1HG2 THR 43 -4.744 2.096 0.341 356 2HG2 THR 43 2HG2 THR 43 -5.827 1.590 1.638 357 3HG2 THR 43 3HG2 THR 43 -6.396 1.601 -0.032 358 H ARG 44 H ARG 44 -8.365 5.322 0.106 359 HA ARG 44 HA ARG 44 -7.969 8.043 -0.431 360 1HB ARG 44 1HB ARG 44 -9.985 6.694 1.375 361 2HB ARG 44 2HB ARG 44 -10.058 8.385 0.897 362 1HG ARG 44 1HG ARG 44 -10.350 7.774 -1.410 363 2HG ARG 44 2HG ARG 44 -10.119 6.067 -1.024 364 1HD ARG 44 1HD ARG 44 -12.525 7.000 -1.317 365 2HD ARG 44 2HD ARG 44 -12.179 5.884 0.004 366 HE ARG 44 HE ARG 44 -11.946 8.691 0.665 367 1HH1 ARG 44 1HH1 ARG 44 -13.997 5.878 0.577 368 2HH1 ARG 44 2HH1 ARG 44 -15.094 6.481 1.773 369 1HH2 ARG 44 1HH2 ARG 44 -13.384 9.495 2.241 370 2HH2 ARG 44 2HH2 ARG 44 -14.745 8.537 2.721 371 H GLN 45 H GLN 45 -6.864 6.158 2.143 372 HA GLN 45 HA GLN 45 -6.551 8.493 3.898 373 1HB GLN 45 1HB GLN 45 -5.862 5.690 4.710 374 2HB GLN 45 2HB GLN 45 -6.369 7.041 5.714 375 1HG GLN 45 1HG GLN 45 -8.366 6.179 3.756 376 2HG GLN 45 2HG GLN 45 -7.950 4.964 4.965 377 1HE2 GLN 45 1HE2 GLN 45 -10.076 5.155 5.788 378 2HE2 GLN 45 2HE2 GLN 45 -10.516 6.476 6.811 379 H HIS 46 H HIS 46 -4.977 7.693 1.432 380 HA HIS 46 HA HIS 46 -2.829 7.797 0.707 381 1HB HIS 46 1HB HIS 46 -2.525 9.004 3.450 382 2HB HIS 46 2HB HIS 46 -1.157 8.830 2.354 383 HD1 HIS 46 HD1 HIS 46 -1.094 10.366 0.283 384 HD2 HIS 46 HD2 HIS 46 -4.384 10.978 2.744 385 HE1 HIS 46 HE1 HIS 46 -2.126 12.522 -0.499 386 HE2 HIS 46 HE2 HIS 46 -4.046 12.930 1.082 387 H ARG 47 H ARG 47 -3.591 5.316 1.378 388 HA ARG 47 HA ARG 47 -1.397 4.184 2.970 389 1HB ARG 47 1HB ARG 47 -3.778 3.616 3.565 390 2HB ARG 47 2HB ARG 47 -3.896 2.785 2.023 391 1HG ARG 47 1HG ARG 47 -1.601 1.762 3.205 392 2HG ARG 47 2HG ARG 47 -2.794 1.873 4.500 393 1HD ARG 47 1HD ARG 47 -4.264 0.873 2.414 394 2HD ARG 47 2HD ARG 47 -2.699 0.095 2.188 395 HE ARG 47 HE ARG 47 -3.045 -1.110 4.120 396 1HH1 ARG 47 1HH1 ARG 47 -5.432 1.409 3.846 397 2HH1 ARG 47 2HH1 ARG 47 -6.408 0.805 5.143 398 1HH2 ARG 47 1HH2 ARG 47 -4.322 -1.915 5.832 399 2HH2 ARG 47 2HH2 ARG 47 -5.776 -1.086 6.273 400 H LEU 48 H LEU 48 0.307 3.704 1.743 401 HA LEU 48 HA LEU 48 -0.144 2.602 -0.943 402 1HB LEU 48 1HB LEU 48 2.353 3.801 0.254 403 2HB LEU 48 2HB LEU 48 2.192 3.215 -1.391 404 HG LEU 48 HG LEU 48 0.632 5.523 -0.229 405 1HD1 LEU 48 1HD1 LEU 48 3.163 5.790 -0.568 406 2HD1 LEU 48 2HD1 LEU 48 2.794 5.721 -2.292 407 3HD1 LEU 48 3HD1 LEU 48 2.092 6.992 -1.289 408 1HD2 LEU 48 1HD2 LEU 48 -0.549 4.342 -2.013 409 2HD2 LEU 48 2HD2 LEU 48 -0.024 5.939 -2.541 410 3HD2 LEU 48 3HD2 LEU 48 0.861 4.503 -3.059 411 H PHE 49 H PHE 49 0.013 0.477 -1.133 412 HA PHE 49 HA PHE 49 1.979 -0.944 0.538 413 1HB PHE 49 1HB PHE 49 -0.904 -1.552 0.058 414 2HB PHE 49 2HB PHE 49 0.217 -2.899 0.229 415 HD1 PHE 49 HD1 PHE 49 -0.781 0.270 1.920 416 HD2 PHE 49 HD2 PHE 49 0.700 -3.708 2.337 417 HE1 PHE 49 HE1 PHE 49 -0.913 0.483 4.372 418 HE2 PHE 49 HE2 PHE 49 0.570 -3.504 4.789 419 HZ PHE 49 HZ PHE 49 -0.236 -1.407 5.810 420 H CYS 50 H CYS 50 2.640 -3.058 -0.376 421 HA CYS 50 HA CYS 50 2.773 -2.891 -3.310 422 1HB CYS 50 1HB CYS 50 4.721 -3.731 -1.221 423 2HB CYS 50 2HB CYS 50 4.779 -4.562 -2.772 424 H ALA 51 H ALA 51 1.011 -4.086 -3.912 425 HA ALA 51 HA ALA 51 0.820 -6.833 -2.880 426 1HB ALA 51 1HB ALA 51 -1.225 -5.127 -4.292 427 2HB ALA 51 2HB ALA 51 -1.475 -6.806 -3.813 428 3HB ALA 51 3HB ALA 51 -1.207 -5.568 -2.585 429 H ASP 52 H ASP 52 0.982 -8.572 -4.209 430 HA ASP 52 HA ASP 52 2.276 -8.235 -6.720 431 1HB ASP 52 1HB ASP 52 1.645 -10.418 -4.921 432 2HB ASP 52 2HB ASP 52 1.358 -10.877 -6.597 433 HA PRO 53 HA PRO 53 -1.172 -7.756 -9.429 434 1HB PRO 53 1HB PRO 53 -0.052 -8.925 -11.660 435 2HB PRO 53 2HB PRO 53 0.221 -7.255 -11.156 436 1HG PRO 53 1HG PRO 53 1.920 -9.669 -10.718 437 2HG PRO 53 2HG PRO 53 2.406 -8.013 -11.126 438 1HD PRO 53 1HD PRO 53 2.633 -8.970 -8.630 439 2HD PRO 53 2HD PRO 53 2.187 -7.278 -8.941 440 H LYS 54 H LYS 54 0.286 -10.818 -8.735 441 HA LYS 54 HA LYS 54 -1.586 -12.434 -10.162 442 1HB LYS 54 1HB LYS 54 0.495 -12.958 -8.070 443 2HB LYS 54 2HB LYS 54 -0.658 -14.216 -8.492 444 1HG LYS 54 1HG LYS 54 0.060 -14.015 -10.853 445 2HG LYS 54 2HG LYS 54 1.293 -12.861 -10.341 446 1HD LYS 54 1HD LYS 54 1.394 -15.240 -8.722 447 2HD LYS 54 2HD LYS 54 1.507 -15.649 -10.435 448 1HE LYS 54 1HE LYS 54 3.705 -15.240 -10.059 449 2HE LYS 54 2HE LYS 54 3.196 -13.585 -10.391 450 1HZ LYS 54 1HZ LYS 54 2.929 -14.400 -7.631 451 2HZ LYS 54 2HZ LYS 54 4.525 -14.355 -8.193 452 3HZ LYS 54 3HZ LYS 54 3.555 -12.971 -8.282 453 H GLU 55 H GLU 55 -1.486 -10.976 -7.004 454 HA GLU 55 HA GLU 55 -3.339 -12.533 -5.634 455 1HB GLU 55 1HB GLU 55 -2.771 -9.572 -5.462 456 2HB GLU 55 2HB GLU 55 -3.803 -10.432 -4.326 457 1HG GLU 55 1HG GLU 55 -1.891 -11.887 -3.752 458 2HG GLU 55 2HG GLU 55 -0.874 -10.916 -4.817 459 H GLN 56 H GLN 56 -5.491 -12.765 -5.706 460 HA GLN 56 HA GLN 56 -6.983 -11.952 -7.914 461 1HB GLN 56 1HB GLN 56 -7.527 -13.862 -6.398 462 2HB GLN 56 2HB GLN 56 -8.073 -12.702 -5.197 463 1HG GLN 56 1HG GLN 56 -9.245 -13.060 -7.947 464 2HG GLN 56 2HG GLN 56 -9.929 -13.681 -6.445 465 1HE2 GLN 56 2HE2 GLN 56 -9.596 -10.989 -8.517 466 2HE2 GLN 56 1HE2 GLN 56 -10.528 -9.867 -7.594 467 H TRP 57 H TRP 57 -7.236 -10.740 -4.566 468 HA TRP 57 HA TRP 57 -9.080 -8.736 -5.019 469 1HB TRP 57 1HB TRP 57 -8.510 -7.872 -2.921 470 2HB TRP 57 2HB TRP 57 -8.062 -9.570 -2.802 471 HD1 TRP 57 HD1 TRP 57 -5.333 -10.074 -3.173 472 HE1 TRP 57 HE1 TRP 57 -3.331 -8.669 -2.374 473 HE3 TRP 57 HE3 TRP 57 -7.718 -5.609 -2.429 474 HZ2 TRP 57 HZ2 TRP 57 -2.826 -6.016 -1.540 475 HZ3 TRP 57 HZ3 TRP 57 -6.404 -3.684 -1.628 476 HH2 TRP 57 HH2 TRP 57 -4.007 -3.886 -1.192 477 H VAL 58 H VAL 58 -5.841 -8.882 -6.107 478 HA VAL 58 HA VAL 58 -5.578 -6.001 -6.400 479 HB VAL 58 HB VAL 58 -3.754 -8.253 -7.255 480 1HG1 VAL 58 1HG1 VAL 58 -3.844 -5.621 -8.223 481 2HG1 VAL 58 2HG1 VAL 58 -2.484 -5.685 -7.101 482 3HG1 VAL 58 3HG1 VAL 58 -2.564 -6.812 -8.455 483 1HG2 VAL 58 1HG2 VAL 58 -3.624 -6.294 -4.965 484 2HG2 VAL 58 2HG2 VAL 58 -3.844 -8.041 -4.861 485 3HG2 VAL 58 3HG2 VAL 58 -2.313 -7.379 -5.430 486 H LYS 59 H LYS 59 -6.202 -8.838 -8.379 487 HA LYS 59 HA LYS 59 -6.003 -7.543 -10.896 488 1HB LYS 59 1HB LYS 59 -7.485 -10.041 -10.054 489 2HB LYS 59 2HB LYS 59 -7.300 -9.522 -11.722 490 1HG LYS 59 1HG LYS 59 -5.010 -9.945 -11.732 491 2HG LYS 59 2HG LYS 59 -4.918 -9.978 -9.968 492 1HD LYS 59 1HD LYS 59 -6.052 -12.064 -9.868 493 2HD LYS 59 2HD LYS 59 -6.480 -11.987 -11.577 494 1HE LYS 59 1HE LYS 59 -4.038 -12.057 -12.109 495 2HE LYS 59 2HE LYS 59 -3.729 -12.341 -10.397 496 1HZ LYS 59 1HZ LYS 59 -5.341 -14.293 -10.693 497 2HZ LYS 59 2HZ LYS 59 -5.054 -14.109 -12.350 498 3HZ LYS 59 3HZ LYS 59 -3.770 -14.455 -11.301 499 H ASP 60 H ASP 60 -8.755 -8.362 -8.806 500 HA ASP 60 HA ASP 60 -10.677 -7.096 -10.498 501 1HB ASP 60 1HB ASP 60 -11.381 -8.892 -9.031 502 2HB ASP 60 2HB ASP 60 -10.839 -7.995 -7.615 503 H ALA 61 H ALA 61 -9.031 -6.195 -7.478 504 HA ALA 61 HA ALA 61 -10.306 -3.818 -6.924 505 1HB ALA 61 1HB ALA 61 -7.449 -4.657 -6.533 506 2HB ALA 61 2HB ALA 61 -8.047 -3.092 -5.982 507 3HB ALA 61 3HB ALA 61 -8.748 -4.580 -5.343 508 H MET 62 H MET 62 -7.621 -4.399 -9.165 509 HA MET 62 HA MET 62 -7.296 -1.690 -9.925 510 1HB MET 62 1HB MET 62 -6.437 -4.311 -11.106 511 2HB MET 62 2HB MET 62 -6.192 -2.813 -11.996 512 1HG MET 62 1HG MET 62 -5.093 -2.030 -9.749 513 2HG MET 62 2HG MET 62 -4.911 -3.763 -9.487 514 1HE MET 62 1HE MET 62 -4.892 -4.309 -12.756 515 2HE MET 62 2HE MET 62 -3.176 -4.446 -13.136 516 3HE MET 62 3HE MET 62 -3.845 -5.313 -11.754 517 H GLN 63 H GLN 63 -8.749 -4.418 -11.708 518 HA GLN 63 HA GLN 63 -9.766 -3.038 -13.852 519 1HB GLN 63 1HB GLN 63 -9.863 -5.524 -13.487 520 2HB GLN 63 2HB GLN 63 -11.229 -5.258 -12.411 521 1HG GLN 63 1HG GLN 63 -11.844 -3.904 -14.784 522 2HG GLN 63 2HG GLN 63 -11.174 -5.463 -15.266 523 1HE2 GLN 63 2HE2 GLN 63 -13.839 -3.810 -13.920 524 2HE2 GLN 63 1HE2 GLN 63 -14.859 -5.183 -13.667 525 H HIS 64 H HIS 64 -10.761 -2.950 -10.557 526 HA HIS 64 HA HIS 64 -13.361 -1.852 -11.006 527 1HB HIS 64 1HB HIS 64 -12.578 -3.122 -8.934 528 2HB HIS 64 2HB HIS 64 -11.757 -1.636 -8.463 529 HD1 HIS 64 HD1 HIS 64 -15.250 -2.924 -9.161 530 HD2 HIS 64 HD2 HIS 64 -13.337 0.198 -7.195 531 HE1 HIS 64 HE1 HIS 64 -17.058 -1.715 -7.900 532 HE2 HIS 64 HE2 HIS 64 -15.867 0.131 -6.664 533 H LEU 65 H LEU 65 -10.235 -0.530 -9.983 534 HA LEU 65 HA LEU 65 -11.088 2.150 -9.784 535 1HB LEU 65 1HB LEU 65 -8.330 1.053 -10.332 536 2HB LEU 65 2HB LEU 65 -8.688 2.697 -9.845 537 HG LEU 65 HG LEU 65 -9.185 0.227 -8.183 538 1HD1 LEU 65 1HD1 LEU 65 -6.795 0.894 -8.497 539 2HD1 LEU 65 2HD1 LEU 65 -7.191 2.437 -7.739 540 3HD1 LEU 65 3HD1 LEU 65 -7.362 0.937 -6.827 541 1HD2 LEU 65 1HD2 LEU 65 -9.581 3.150 -7.551 542 2HD2 LEU 65 2HD2 LEU 65 -10.847 1.933 -7.732 543 3HD2 LEU 65 3HD2 LEU 65 -9.707 1.828 -6.390 544 H ASP 66 H ASP 66 -10.059 0.183 -12.466 545 HA ASP 66 HA ASP 66 -9.527 2.321 -14.274 546 1HB ASP 66 1HB ASP 66 -10.105 -0.612 -14.703 547 2HB ASP 66 2HB ASP 66 -9.737 0.496 -16.021 548 H ARG 67 H ARG 67 -12.388 0.643 -13.260 549 HA ARG 67 HA ARG 67 -14.017 1.449 -15.475 550 1HB ARG 67 1HB ARG 67 -14.348 -0.533 -13.818 551 2HB ARG 67 2HB ARG 67 -15.115 0.671 -12.795 552 1HG ARG 67 1HG ARG 67 -16.998 0.525 -13.946 553 2HG ARG 67 2HG ARG 67 -16.152 0.863 -15.457 554 1HD ARG 67 1HD ARG 67 -16.814 -1.218 -16.001 555 2HD ARG 67 2HD ARG 67 -15.411 -1.698 -15.049 556 HE ARG 67 HE ARG 67 -16.851 -2.678 -13.589 557 1HH1 ARG 67 1HH1 ARG 67 -18.553 -0.136 -15.252 558 2HH1 ARG 67 2HH1 ARG 67 -20.067 -0.467 -14.480 559 1HH2 ARG 67 1HH2 ARG 67 -18.838 -3.125 -12.567 560 2HH2 ARG 67 2HH2 ARG 67 -20.229 -2.168 -12.953 561 H GLN 68 H GLN 68 -13.390 2.664 -12.228 562 HA GLN 68 HA GLN 68 -15.379 4.511 -11.894 563 1HB GLN 68 1HB GLN 68 -12.627 4.208 -10.945 564 2HB GLN 68 2HB GLN 68 -13.171 5.881 -10.976 565 1HG GLN 68 1HG GLN 68 -14.403 5.591 -9.161 566 2HG GLN 68 2HG GLN 68 -15.192 4.172 -9.848 567 1HE2 GLN 68 2HE2 GLN 68 -13.744 2.178 -9.864 568 2HE2 GLN 68 1HE2 GLN 68 -12.860 1.871 -8.413 569 H ALA 69 H ALA 69 -12.242 5.159 -13.469 570 HA ALA 69 HA ALA 69 -12.887 7.761 -14.320 571 1HB ALA 69 1HB ALA 69 -10.678 5.994 -14.531 572 2HB ALA 69 2HB ALA 69 -11.038 6.612 -16.142 573 3HB ALA 69 3HB ALA 69 -10.727 7.733 -14.818 574 H ALA 70 H ALA 70 -13.050 4.643 -16.017 575 HA ALA 70 HA ALA 70 -13.877 5.590 -18.506 576 1HB ALA 70 1HB ALA 70 -13.361 3.125 -17.435 577 2HB ALA 70 2HB ALA 70 -15.096 3.048 -17.742 578 3HB ALA 70 3HB ALA 70 -13.983 3.425 -19.058 579 H ALA 71 H ALA 71 -15.765 4.756 -15.635 580 HA ALA 71 HA ALA 71 -18.311 4.958 -16.762 581 1HB ALA 71 1HB ALA 71 -17.191 4.700 -14.130 582 2HB ALA 71 2HB ALA 71 -18.547 5.827 -14.116 583 3HB ALA 71 3HB ALA 71 -18.769 4.189 -14.730 584 H LEU 72 H LEU 72 -16.001 7.353 -16.229 585 HA LEU 72 HA LEU 72 -18.047 9.446 -16.555 586 1HB LEU 72 1HB LEU 72 -16.816 9.334 -14.296 587 2HB LEU 72 2HB LEU 72 -15.426 9.932 -15.174 588 HG LEU 72 HG LEU 72 -17.560 11.613 -15.831 589 1HD1 LEU 72 1HD1 LEU 72 -17.710 10.616 -13.075 590 2HD1 LEU 72 2HD1 LEU 72 -17.773 12.370 -13.257 591 3HD1 LEU 72 3HD1 LEU 72 -18.952 11.354 -14.085 592 1HD2 LEU 72 1HD2 LEU 72 -14.963 11.760 -14.476 593 2HD2 LEU 72 2HD2 LEU 72 -15.624 12.753 -15.776 594 3HD2 LEU 72 3HD2 LEU 72 -16.086 13.066 -14.103 595 H THR 73 H THR 73 -16.447 7.930 -18.526 596 HA THR 73 HA THR 73 -15.424 8.342 -20.516 597 HB THR 73 HB THR 73 -15.970 10.278 -21.545 598 HG1 THR 73 HG1 THR 73 -14.516 11.692 -20.914 599 1HG2 THR 73 1HG2 THR 73 -17.818 9.797 -19.689 600 2HG2 THR 73 2HG2 THR 73 -17.307 11.403 -19.170 601 3HG2 THR 73 3HG2 THR 73 -17.909 11.157 -20.808 602 H ARG 74 H ARG 74 -13.350 8.689 -21.331 603 HA ARG 74 HA ARG 74 -11.348 9.275 -19.280 604 1HB ARG 74 1HB ARG 74 -10.861 7.216 -20.267 605 2HB ARG 74 2HB ARG 74 -11.301 7.773 -21.876 606 1HG ARG 74 1HG ARG 74 -9.297 9.025 -22.082 607 2HG ARG 74 2HG ARG 74 -8.902 8.792 -20.379 608 1HD ARG 74 1HD ARG 74 -8.067 6.731 -20.724 609 2HD ARG 74 2HD ARG 74 -9.300 6.320 -21.916 610 HE ARG 74 HE ARG 74 -7.293 8.207 -22.803 611 1HH1 ARG 74 1HH1 ARG 74 -8.287 4.875 -22.610 612 2HH1 ARG 74 2HH1 ARG 74 -7.294 4.367 -23.937 613 1HH2 ARG 74 1HH2 ARG 74 -5.980 7.550 -24.549 614 2HH2 ARG 74 2HH2 ARG 74 -5.981 5.888 -25.038 615 H ASN 75 H ASN 75 -12.645 10.494 -22.249 616 HA ASN 75 HA ASN 75 -10.712 12.709 -22.142 617 1HB ASN 75 1HB ASN 75 -10.973 12.837 -24.664 618 2HB ASN 75 2HB ASN 75 -10.059 11.459 -24.057 619 1HD2 ASN 75 2HD2 ASN 75 -11.973 12.165 -26.425 620 2HD2 ASN 75 1HD2 ASN 75 -12.932 10.735 -26.559 621 H GLY 76 H GLY 76 -13.948 11.627 -23.049 622 1HA GLY 76 1HA GLY 76 -14.894 14.304 -23.553 623 2HA GLY 76 2HA GLY 76 -15.866 12.841 -23.521 Start of MODEL 13 1 2H MET 0 2H MET 0 23.109 8.030 -2.741 2 3H MET 0 3H MET 0 22.528 8.182 -1.136 3 1H MET 0 1H MET 0 23.775 9.220 -1.697 4 HA MET 0 HA MET 0 23.879 6.369 -1.044 5 1HB MET 0 1HB MET 0 25.064 7.633 -3.294 6 2HB MET 0 2HB MET 0 26.347 7.343 -2.125 7 1HG MET 0 1HG MET 0 26.112 5.059 -2.224 8 2HG MET 0 2HG MET 0 24.442 5.150 -2.779 9 1HE MET 0 1HE MET 0 28.157 4.965 -3.706 10 2HE MET 0 2HE MET 0 28.223 5.589 -5.354 11 3HE MET 0 3HE MET 0 27.897 6.683 -4.010 12 H GLN 1 H GLN 1 23.537 8.915 0.458 13 HA GLN 1 HA GLN 1 26.078 8.910 1.949 14 1HB GLN 1 1HB GLN 1 24.246 11.062 1.143 15 2HB GLN 1 2HB GLN 1 24.753 11.141 2.825 16 1HG GLN 1 1HG GLN 1 27.081 10.621 1.382 17 2HG GLN 1 2HG GLN 1 26.201 11.821 0.437 18 1HE2 GLN 1 2HE2 GLN 1 27.800 13.363 0.907 19 2HE2 GLN 1 1HE2 GLN 1 27.880 14.134 2.450 20 H HIS 2 H HIS 2 23.676 7.120 2.185 21 HA HIS 2 HA HIS 2 23.287 7.496 5.070 22 1HB HIS 2 1HB HIS 2 20.899 6.381 4.305 23 2HB HIS 2 2HB HIS 2 21.154 8.088 4.656 24 HD1 HIS 2 HD1 HIS 2 21.753 5.941 1.561 25 HD2 HIS 2 HD2 HIS 2 20.025 9.546 2.696 26 HE1 HIS 2 HE1 HIS 2 20.879 6.965 -0.563 27 HE2 HIS 2 HE2 HIS 2 19.917 9.186 0.137 28 H HIS 3 H HIS 3 24.978 5.733 3.377 29 HA HIS 3 HA HIS 3 25.661 3.565 3.278 30 1HB HIS 3 1HB HIS 3 24.280 3.780 5.913 31 2HB HIS 3 2HB HIS 3 24.723 2.173 5.346 32 HD1 HIS 3 HD1 HIS 3 26.159 2.818 7.767 33 HD2 HIS 3 HD2 HIS 3 27.510 4.208 4.092 34 HE1 HIS 3 HE1 HIS 3 28.597 3.336 8.099 35 HE2 HIS 3 HE2 HIS 3 29.414 4.086 5.838 36 H GLY 4 H GLY 4 22.946 4.405 2.180 37 1HA GLY 4 1HA GLY 4 22.056 1.675 1.589 38 2HA GLY 4 2HA GLY 4 20.871 2.818 2.201 39 H VAL 5 H VAL 5 21.209 1.375 -0.428 40 HA VAL 5 HA VAL 5 21.006 3.765 -2.144 41 HB VAL 5 HB VAL 5 23.068 2.623 -2.704 42 1HG1 VAL 5 1HG1 VAL 5 21.888 0.344 -1.904 43 2HG1 VAL 5 2HG1 VAL 5 21.749 0.162 -3.653 44 3HG1 VAL 5 3HG1 VAL 5 23.333 0.390 -2.912 45 1HG2 VAL 5 1HG2 VAL 5 21.761 3.614 -4.526 46 2HG2 VAL 5 2HG2 VAL 5 22.681 2.212 -5.069 47 3HG2 VAL 5 3HG2 VAL 5 20.948 2.069 -4.777 48 H THR 6 H THR 6 18.866 3.968 -2.454 49 HA THR 6 HA THR 6 17.421 1.621 -3.481 50 HB THR 6 HB THR 6 15.369 2.574 -2.369 51 HG1 THR 6 HG1 THR 6 17.305 4.345 -1.445 52 1HG2 THR 6 1HG2 THR 6 17.233 0.880 -1.318 53 2HG2 THR 6 2HG2 THR 6 17.080 2.108 -0.063 54 3HG2 THR 6 3HG2 THR 6 15.653 1.232 -0.620 55 H LYS 7 H LYS 7 16.023 4.770 -3.007 56 HA LYS 7 HA LYS 7 15.556 6.481 -4.482 57 1HB LYS 7 1HB LYS 7 17.688 5.678 -5.702 58 2HB LYS 7 2HB LYS 7 16.586 4.816 -6.766 59 1HG LYS 7 1HG LYS 7 15.519 6.902 -7.391 60 2HG LYS 7 2HG LYS 7 16.557 7.788 -6.272 61 1HD LYS 7 1HD LYS 7 18.498 7.295 -7.554 62 2HD LYS 7 2HD LYS 7 17.625 6.122 -8.543 63 1HE LYS 7 1HE LYS 7 17.779 8.014 -9.905 64 2HE LYS 7 2HE LYS 7 16.147 8.091 -9.241 65 1HZ LYS 7 1HZ LYS 7 18.224 9.455 -7.727 66 2HZ LYS 7 2HZ LYS 7 17.816 10.144 -9.216 67 3HZ LYS 7 3HZ LYS 7 16.626 9.918 -8.033 68 H CYS 8 H CYS 8 13.729 4.649 -3.632 69 HA CYS 8 HA CYS 8 11.842 4.667 -5.842 70 1HB CYS 8 1HB CYS 8 13.100 2.407 -5.738 71 2HB CYS 8 2HB CYS 8 12.154 2.116 -4.281 72 H ASN 9 H ASN 9 10.442 6.025 -4.861 73 HA ASN 9 HA ASN 9 9.829 6.514 -2.313 74 1HB ASN 9 1HB ASN 9 7.377 6.756 -3.083 75 2HB ASN 9 2HB ASN 9 8.599 7.730 -3.893 76 1HD2 ASN 9 2HD2 ASN 9 5.931 6.033 -4.448 77 2HD2 ASN 9 1HD2 ASN 9 6.229 5.478 -6.056 78 H ILE 10 H ILE 10 8.727 3.676 -4.098 79 HA ILE 10 HA ILE 10 8.008 2.436 -1.534 80 HB ILE 10 HB ILE 10 5.977 3.244 -2.857 81 1HG1 ILE 10 1HG1 ILE 10 5.810 0.290 -2.466 82 2HG1 ILE 10 2HG1 ILE 10 6.260 1.284 -1.083 83 1HG2 ILE 10 1HG2 ILE 10 7.004 2.358 -5.035 84 2HG2 ILE 10 2HG2 ILE 10 6.427 0.779 -4.504 85 3HG2 ILE 10 3HG2 ILE 10 5.282 2.094 -4.765 86 1HD1 ILE 10 1HD1 ILE 10 4.202 2.622 -1.476 87 2HD1 ILE 10 2HD1 ILE 10 3.734 1.439 -2.697 88 3HD1 ILE 10 3HD1 ILE 10 3.916 0.944 -1.015 89 H THR 11 H THR 11 9.118 0.626 -1.253 90 HA THR 11 HA THR 11 10.150 -0.780 -3.618 91 HB THR 11 HB THR 11 11.867 -0.009 -2.065 92 HG1 THR 11 HG1 THR 11 11.436 -2.638 -2.641 93 1HG2 THR 11 1HG2 THR 11 10.550 -0.014 0.007 94 2HG2 THR 11 2HG2 THR 11 10.578 -1.777 0.000 95 3HG2 THR 11 3HG2 THR 11 12.082 -0.870 0.173 96 H CYS 12 H CYS 12 9.104 -2.553 -4.195 97 HA CYS 12 HA CYS 12 7.231 -3.835 -2.434 98 1HB CYS 12 1HB CYS 12 8.155 -4.650 -5.197 99 2HB CYS 12 2HB CYS 12 6.759 -5.297 -4.342 100 H SER 13 H SER 13 9.249 -4.186 -0.943 101 HA SER 13 HA SER 13 10.942 -6.401 -1.578 102 1HB SER 13 1HB SER 13 10.793 -5.995 1.250 103 2HB SER 13 2HB SER 13 12.104 -5.571 0.147 104 HG SER 13 HG SER 13 11.572 -3.587 0.547 105 H LYS 14 H LYS 14 7.799 -6.034 -0.208 106 HA LYS 14 HA LYS 14 7.478 -8.907 -0.098 107 1HB LYS 14 1HB LYS 14 7.013 -9.148 2.160 108 2HB LYS 14 2HB LYS 14 8.350 -8.006 2.187 109 1HG LYS 14 1HG LYS 14 5.445 -7.231 2.334 110 2HG LYS 14 2HG LYS 14 6.505 -7.428 3.730 111 1HD LYS 14 1HD LYS 14 7.797 -5.738 1.835 112 2HD LYS 14 2HD LYS 14 6.157 -5.142 2.096 113 1HE LYS 14 1HE LYS 14 6.981 -5.731 4.640 114 2HE LYS 14 2HE LYS 14 8.467 -5.151 3.890 115 1HZ LYS 14 1HZ LYS 14 5.992 -3.614 3.526 116 2HZ LYS 14 2HZ LYS 14 6.818 -3.493 4.996 117 3HZ LYS 14 3HZ LYS 14 7.596 -3.076 3.553 118 H MET 15 H MET 15 5.214 -9.540 0.215 119 HA MET 15 HA MET 15 3.446 -7.581 -1.018 120 1HB MET 15 1HB MET 15 2.997 -10.514 -0.439 121 2HB MET 15 2HB MET 15 1.931 -9.475 -1.376 122 1HG MET 15 1HG MET 15 4.706 -10.381 -2.082 123 2HG MET 15 2HG MET 15 3.197 -10.772 -2.904 124 1HE MET 15 1HE MET 15 6.187 -8.464 -2.630 125 2HE MET 15 2HE MET 15 6.076 -9.466 -4.076 126 3HE MET 15 3HE MET 15 6.033 -7.708 -4.217 127 H THR 16 H THR 16 1.239 -7.305 -0.235 128 HA THR 16 HA THR 16 1.153 -7.353 2.703 129 HB THR 16 HB THR 16 0.976 -5.154 1.397 130 HG1 THR 16 HG1 THR 16 0.092 -4.496 3.165 131 1HG2 THR 16 1HG2 THR 16 -0.619 -5.915 -0.309 132 2HG2 THR 16 2HG2 THR 16 -1.837 -6.123 0.951 133 3HG2 THR 16 3HG2 THR 16 -1.201 -4.516 0.595 134 H SER 17 H SER 17 -1.523 -6.991 3.132 135 HA SER 17 HA SER 17 -2.609 -9.579 2.262 136 1HB SER 17 1HB SER 17 -3.155 -7.868 4.688 137 2HB SER 17 2HB SER 17 -4.183 -9.229 4.239 138 HG SER 17 HG SER 17 -1.796 -10.200 4.154 139 H LYS 18 H LYS 18 -5.062 -9.626 2.141 140 HA LYS 18 HA LYS 18 -5.971 -8.079 0.053 141 1HB LYS 18 1HB LYS 18 -6.998 -10.133 1.610 142 2HB LYS 18 2HB LYS 18 -8.129 -8.811 1.870 143 1HG LYS 18 1HG LYS 18 -8.153 -8.598 -0.688 144 2HG LYS 18 2HG LYS 18 -7.422 -10.204 -0.683 145 1HD LYS 18 1HD LYS 18 -9.293 -11.171 0.363 146 2HD LYS 18 2HD LYS 18 -9.941 -9.600 0.838 147 1HE LYS 18 1HE LYS 18 -10.342 -9.064 -1.521 148 2HE LYS 18 2HE LYS 18 -9.714 -10.646 -1.983 149 1HZ LYS 18 1HZ LYS 18 -11.511 -11.636 -0.619 150 2HZ LYS 18 2HZ LYS 18 -12.154 -10.089 -0.386 151 3HZ LYS 18 3HZ LYS 18 -12.080 -10.751 -1.942 152 H ILE 19 H ILE 19 -7.666 -6.444 -0.022 153 HA ILE 19 HA ILE 19 -8.160 -4.854 2.334 154 HB ILE 19 HB ILE 19 -6.672 -3.571 0.044 155 1HG1 ILE 19 1HG1 ILE 19 -5.685 -4.312 2.808 156 2HG1 ILE 19 2HG1 ILE 19 -5.191 -5.074 1.299 157 1HG2 ILE 19 1HG2 ILE 19 -8.347 -2.240 1.443 158 2HG2 ILE 19 2HG2 ILE 19 -7.189 -2.411 2.762 159 3HG2 ILE 19 3HG2 ILE 19 -6.719 -1.584 1.278 160 1HD1 ILE 19 1HD1 ILE 19 -4.308 -2.858 0.568 161 2HD1 ILE 19 2HD1 ILE 19 -4.632 -2.265 2.196 162 3HD1 ILE 19 3HD1 ILE 19 -3.477 -3.573 1.949 163 HA PRO 20 HA PRO 20 -11.943 -4.216 0.141 164 1HB PRO 20 1HB PRO 20 -12.131 -1.692 1.661 165 2HB PRO 20 2HB PRO 20 -13.235 -3.062 1.626 166 1HG PRO 20 1HG PRO 20 -11.675 -2.566 3.740 167 2HG PRO 20 2HG PRO 20 -12.056 -4.212 3.222 168 1HD PRO 20 1HD PRO 20 -9.549 -2.640 2.836 169 2HD PRO 20 2HD PRO 20 -9.753 -4.369 3.182 170 H VAL 21 H VAL 21 -12.108 -3.493 -1.879 171 HA VAL 21 HA VAL 21 -10.433 -1.620 -3.072 172 HB VAL 21 HB VAL 21 -11.699 -3.216 -4.399 173 1HG1 VAL 21 1HG1 VAL 21 -13.758 -3.081 -2.950 174 2HG1 VAL 21 2HG1 VAL 21 -14.174 -1.605 -3.823 175 3HG1 VAL 21 3HG1 VAL 21 -14.050 -3.136 -4.689 176 1HG2 VAL 21 1HG2 VAL 21 -11.061 -0.776 -5.182 177 2HG2 VAL 21 2HG2 VAL 21 -11.964 -1.871 -6.229 178 3HG2 VAL 21 3HG2 VAL 21 -12.811 -0.618 -5.323 179 H ALA 22 H ALA 22 -13.239 -1.169 -1.134 180 HA ALA 22 HA ALA 22 -14.071 1.365 -2.041 181 1HB ALA 22 1HB ALA 22 -14.366 -0.004 0.622 182 2HB ALA 22 2HB ALA 22 -15.106 1.552 0.243 183 3HB ALA 22 3HB ALA 22 -15.555 0.114 -0.675 184 H LEU 23 H LEU 23 -11.222 0.445 -0.525 185 HA LEU 23 HA LEU 23 -10.813 3.102 0.658 186 1HB LEU 23 1HB LEU 23 -9.406 0.468 1.051 187 2HB LEU 23 2HB LEU 23 -8.751 1.982 1.646 188 HG LEU 23 HG LEU 23 -10.159 0.439 3.219 189 1HD1 LEU 23 1HD1 LEU 23 -9.541 3.175 3.151 190 2HD1 LEU 23 2HD1 LEU 23 -11.218 3.057 3.684 191 3HD1 LEU 23 3HD1 LEU 23 -9.952 2.193 4.557 192 1HD2 LEU 23 1HD2 LEU 23 -12.064 0.406 1.560 193 2HD2 LEU 23 2HD2 LEU 23 -12.490 0.797 3.227 194 3HD2 LEU 23 3HD2 LEU 23 -12.374 2.080 2.022 195 H LEU 24 H LEU 24 -9.891 1.071 -1.955 196 HA LEU 24 HA LEU 24 -7.391 2.345 -2.530 197 1HB LEU 24 1HB LEU 24 -9.095 0.786 -4.464 198 2HB LEU 24 2HB LEU 24 -7.359 1.036 -4.519 199 HG LEU 24 HG LEU 24 -8.866 -0.653 -2.519 200 1HD1 LEU 24 1HD1 LEU 24 -6.987 -1.348 -4.770 201 2HD1 LEU 24 2HD1 LEU 24 -7.560 -2.488 -3.553 202 3HD1 LEU 24 3HD1 LEU 24 -8.705 -1.731 -4.660 203 1HD2 LEU 24 1HD2 LEU 24 -6.150 0.468 -2.505 204 2HD2 LEU 24 2HD2 LEU 24 -7.144 -0.125 -1.175 205 3HD2 LEU 24 3HD2 LEU 24 -6.249 -1.262 -2.184 206 H ILE 25 H ILE 25 -6.975 4.087 -3.770 207 HA ILE 25 HA ILE 25 -9.254 5.338 -5.160 208 HB ILE 25 HB ILE 25 -8.067 7.532 -4.721 209 1HG1 ILE 25 1HG1 ILE 25 -6.672 5.930 -2.569 210 2HG1 ILE 25 2HG1 ILE 25 -5.897 6.433 -4.068 211 1HG2 ILE 25 1HG2 ILE 25 -10.089 6.594 -3.496 212 2HG2 ILE 25 2HG2 ILE 25 -8.970 6.170 -2.200 213 3HG2 ILE 25 3HG2 ILE 25 -9.174 7.858 -2.674 214 1HD1 ILE 25 1HD1 ILE 25 -7.170 8.432 -2.246 215 2HD1 ILE 25 2HD1 ILE 25 -5.529 7.847 -1.970 216 3HD1 ILE 25 3HD1 ILE 25 -5.929 8.676 -3.475 217 H HIS 26 H HIS 26 -5.866 4.503 -5.236 218 HA HIS 26 HA HIS 26 -5.829 4.775 -8.099 219 1HB HIS 26 1HB HIS 26 -4.776 6.895 -6.435 220 2HB HIS 26 2HB HIS 26 -3.504 6.184 -7.424 221 HD1 HIS 26 HD1 HIS 26 -4.400 5.901 -10.098 222 HD2 HIS 26 HD2 HIS 26 -6.005 8.911 -7.727 223 HE1 HIS 26 HE1 HIS 26 -5.358 7.583 -11.704 224 HE2 HIS 26 HE2 HIS 26 -6.244 9.438 -10.247 225 H TYR 27 H TYR 27 -4.056 3.740 -9.082 226 HA TYR 27 HA TYR 27 -2.245 2.283 -7.287 227 1HB TYR 27 1HB TYR 27 -2.709 0.199 -8.206 228 2HB TYR 27 2HB TYR 27 -4.306 0.936 -8.160 229 HD1 TYR 27 HD1 TYR 27 -1.421 0.247 -10.403 230 HD2 TYR 27 HD2 TYR 27 -5.570 1.186 -10.129 231 HE1 TYR 27 HE1 TYR 27 -1.665 -0.153 -12.821 232 HE2 TYR 27 HE2 TYR 27 -5.825 0.789 -12.546 233 HH TYR 27 HH TYR 27 -4.156 -0.840 -14.332 234 H GLN 28 H GLN 28 -0.223 1.769 -8.166 235 HA GLN 28 HA GLN 28 0.340 2.846 -10.837 236 1HB GLN 28 1HB GLN 28 2.642 3.288 -9.260 237 2HB GLN 28 2HB GLN 28 1.596 4.486 -10.010 238 1HG GLN 28 1HG GLN 28 0.696 3.329 -7.445 239 2HG GLN 28 2HG GLN 28 2.080 4.420 -7.400 240 1HE2 GLN 28 2HE2 GLN 28 -0.285 5.033 -6.133 241 2HE2 GLN 28 1HE2 GLN 28 -1.034 6.367 -6.934 242 H GLN 29 H GLN 29 2.802 2.269 -11.337 243 HA GLN 29 HA GLN 29 3.059 -0.614 -10.800 244 1HB GLN 29 1HB GLN 29 3.057 0.849 -13.227 245 2HB GLN 29 2HB GLN 29 4.692 0.243 -12.995 246 1HG GLN 29 1HG GLN 29 4.028 -1.967 -13.074 247 2HG GLN 29 2HG GLN 29 2.357 -1.587 -12.661 248 1HE2 GLN 29 2HE2 GLN 29 1.609 -2.783 -14.426 249 2HE2 GLN 29 1HE2 GLN 29 1.721 -2.187 -16.044 250 H ASN 30 H ASN 30 4.994 -1.456 -10.123 251 HA ASN 30 HA ASN 30 6.766 0.323 -8.767 252 1HB ASN 30 1HB ASN 30 6.086 -2.195 -8.276 253 2HB ASN 30 2HB ASN 30 7.517 -2.524 -9.248 254 1HD2 ASN 30 2HD2 ASN 30 9.180 -2.940 -8.006 255 2HD2 ASN 30 1HD2 ASN 30 9.591 -2.127 -6.538 256 H GLN 31 H GLN 31 9.220 -0.060 -9.024 257 HA GLN 31 HA GLN 31 9.861 0.110 -11.895 258 1HB GLN 31 1HB GLN 31 10.882 1.610 -9.514 259 2HB GLN 31 2HB GLN 31 11.927 1.396 -10.912 260 1HG GLN 31 1HG GLN 31 10.249 2.466 -12.328 261 2HG GLN 31 2HG GLN 31 9.206 2.683 -10.923 262 1HE2 GLN 31 2HE2 GLN 31 11.626 4.031 -12.811 263 2HE2 GLN 31 1HE2 GLN 31 12.061 5.344 -11.775 264 H ALA 32 H ALA 32 11.349 -1.235 -12.717 265 HA ALA 32 HA ALA 32 12.226 -3.486 -11.300 266 1HB ALA 32 1HB ALA 32 12.750 -2.322 -13.962 267 2HB ALA 32 2HB ALA 32 13.954 -3.458 -13.351 268 3HB ALA 32 3HB ALA 32 12.270 -3.958 -13.510 269 H SER 33 H SER 33 13.173 -2.617 -9.377 270 HA SER 33 HA SER 33 15.932 -2.622 -9.302 271 1HB SER 33 1HB SER 33 16.692 -0.486 -9.508 272 2HB SER 33 2HB SER 33 15.233 -0.284 -10.477 273 HG SER 33 HG SER 33 15.825 1.131 -8.452 274 H CYS 34 H CYS 34 12.941 -1.493 -7.911 275 HA CYS 34 HA CYS 34 14.096 -1.691 -5.218 276 1HB CYS 34 1HB CYS 34 11.668 -0.681 -4.717 277 2HB CYS 34 2HB CYS 34 13.041 0.334 -5.144 278 H GLY 35 H GLY 35 13.311 -3.117 -3.731 279 1HA GLY 35 1HA GLY 35 12.454 -5.160 -3.092 280 2HA GLY 35 2HA GLY 35 10.937 -4.433 -3.598 281 H LYS 36 H LYS 36 9.831 -5.515 -5.080 282 HA LYS 36 HA LYS 36 11.271 -7.063 -7.105 283 1HB LYS 36 1HB LYS 36 9.209 -8.131 -5.192 284 2HB LYS 36 2HB LYS 36 9.483 -8.887 -6.755 285 1HG LYS 36 1HG LYS 36 11.054 -10.094 -5.770 286 2HG LYS 36 2HG LYS 36 12.020 -8.620 -5.679 287 1HD LYS 36 1HD LYS 36 11.950 -9.531 -3.487 288 2HD LYS 36 2HD LYS 36 10.871 -8.134 -3.492 289 1HE LYS 36 1HE LYS 36 9.123 -9.393 -2.937 290 2HE LYS 36 2HE LYS 36 9.454 -10.528 -4.247 291 1HZ LYS 36 1HZ LYS 36 11.071 -11.631 -2.815 292 2HZ LYS 36 2HZ LYS 36 10.720 -10.556 -1.558 293 3HZ LYS 36 3HZ LYS 36 9.534 -11.631 -2.111 294 H ARG 37 H ARG 37 9.759 -7.826 -8.855 295 HA ARG 37 HA ARG 37 8.314 -5.641 -9.885 296 1HB ARG 37 1HB ARG 37 9.233 -8.114 -10.840 297 2HB ARG 37 2HB ARG 37 7.490 -8.151 -11.063 298 1HG ARG 37 1HG ARG 37 7.579 -6.094 -12.339 299 2HG ARG 37 2HG ARG 37 9.318 -5.974 -12.059 300 1HD ARG 37 1HD ARG 37 9.804 -7.521 -13.624 301 2HD ARG 37 2HD ARG 37 8.406 -8.517 -13.219 302 HE ARG 37 HE ARG 37 8.534 -6.399 -15.191 303 1HH1 ARG 37 1HH1 ARG 37 6.522 -8.507 -13.285 304 2HH1 ARG 37 2HH1 ARG 37 5.150 -8.358 -14.333 305 1HH2 ARG 37 1HH2 ARG 37 6.735 -6.197 -16.580 306 2HH2 ARG 37 2HH2 ARG 37 5.272 -7.044 -16.206 307 H ALA 38 H ALA 38 6.759 -5.020 -8.376 308 HA ALA 38 HA ALA 38 4.418 -6.800 -8.243 309 1HB ALA 38 1HB ALA 38 6.002 -5.874 -6.071 310 2HB ALA 38 2HB ALA 38 4.412 -5.119 -5.964 311 3HB ALA 38 3HB ALA 38 4.553 -6.876 -6.030 312 H ILE 39 H ILE 39 2.767 -5.005 -6.852 313 HA ILE 39 HA ILE 39 2.517 -2.788 -8.778 314 HB ILE 39 HB ILE 39 0.363 -4.540 -7.608 315 1HG1 ILE 39 1HG1 ILE 39 1.702 -4.984 -9.832 316 2HG1 ILE 39 2HG1 ILE 39 -0.038 -5.250 -9.769 317 1HG2 ILE 39 1HG2 ILE 39 0.108 -1.839 -8.903 318 2HG2 ILE 39 2HG2 ILE 39 -1.223 -2.994 -8.831 319 3HG2 ILE 39 3HG2 ILE 39 -0.518 -2.368 -7.340 320 1HD1 ILE 39 1HD1 ILE 39 1.275 -2.748 -10.800 321 2HD1 ILE 39 2HD1 ILE 39 0.702 -4.080 -11.804 322 3HD1 ILE 39 3HD1 ILE 39 -0.443 -3.141 -10.847 323 H ILE 40 H ILE 40 1.555 -0.849 -7.989 324 HA ILE 40 HA ILE 40 1.923 -0.497 -5.094 325 HB ILE 40 HB ILE 40 1.695 1.750 -7.076 326 1HG1 ILE 40 1HG1 ILE 40 3.491 0.485 -7.979 327 2HG1 ILE 40 2HG1 ILE 40 4.241 1.753 -7.015 328 1HG2 ILE 40 1HG2 ILE 40 1.536 2.060 -4.551 329 2HG2 ILE 40 2HG2 ILE 40 3.252 1.656 -4.511 330 3HG2 ILE 40 3HG2 ILE 40 2.698 3.066 -5.414 331 1HD1 ILE 40 1HD1 ILE 40 3.929 -0.363 -5.251 332 2HD1 ILE 40 2HD1 ILE 40 4.436 -1.110 -6.766 333 3HD1 ILE 40 3HD1 ILE 40 5.420 0.159 -6.035 334 H LEU 41 H LEU 41 0.212 -0.140 -3.841 335 HA LEU 41 HA LEU 41 -2.314 0.654 -5.132 336 1HB LEU 41 1HB LEU 41 -1.705 -1.281 -2.944 337 2HB LEU 41 2HB LEU 41 -3.250 -0.454 -2.935 338 HG LEU 41 HG LEU 41 -2.185 -2.270 -5.094 339 1HD1 LEU 41 1HD1 LEU 41 -3.175 -3.179 -2.901 340 2HD1 LEU 41 2HD1 LEU 41 -4.718 -2.603 -3.532 341 3HD1 LEU 41 3HD1 LEU 41 -3.793 -3.809 -4.427 342 1HD2 LEU 41 1HD2 LEU 41 -4.455 -0.343 -5.064 343 2HD2 LEU 41 2HD2 LEU 41 -3.357 -0.774 -6.375 344 3HD2 LEU 41 3HD2 LEU 41 -4.649 -1.879 -5.908 345 H GLU 42 H GLU 42 -3.222 2.492 -4.503 346 HA GLU 42 HA GLU 42 -2.311 3.711 -1.979 347 1HB GLU 42 1HB GLU 42 -1.449 4.961 -3.875 348 2HB GLU 42 2HB GLU 42 -3.056 5.065 -4.578 349 1HG GLU 42 1HG GLU 42 -3.764 6.359 -2.562 350 2HG GLU 42 2HG GLU 42 -2.072 6.385 -2.064 351 H THR 43 H THR 43 -3.846 4.155 -0.527 352 HA THR 43 HA THR 43 -6.649 3.905 -1.370 353 HB THR 43 HB THR 43 -7.178 3.309 0.883 354 HG1 THR 43 HG1 THR 43 -5.911 3.720 2.546 355 1HG2 THR 43 1HG2 THR 43 -4.656 1.972 -0.036 356 2HG2 THR 43 2HG2 THR 43 -5.542 1.461 1.400 357 3HG2 THR 43 3HG2 THR 43 -6.318 1.400 -0.182 358 H ARG 44 H ARG 44 -8.220 5.263 -0.109 359 HA ARG 44 HA ARG 44 -7.564 8.003 -0.431 360 1HB ARG 44 1HB ARG 44 -9.819 8.341 0.724 361 2HB ARG 44 2HB ARG 44 -9.820 7.456 -0.795 362 1HG ARG 44 1HG ARG 44 -10.024 5.361 0.365 363 2HG ARG 44 2HG ARG 44 -9.855 6.168 1.926 364 1HD ARG 44 1HD ARG 44 -11.919 7.504 1.284 365 2HD ARG 44 2HD ARG 44 -12.130 6.352 -0.033 366 HE ARG 44 HE ARG 44 -11.831 4.996 2.433 367 1HH1 ARG 44 1HH1 ARG 44 -14.104 6.892 0.600 368 2HH1 ARG 44 2HH1 ARG 44 -15.498 6.163 1.326 369 1HH2 ARG 44 1HH2 ARG 44 -13.659 4.027 3.399 370 2HH2 ARG 44 2HH2 ARG 44 -15.245 4.535 2.919 371 H GLN 45 H GLN 45 -6.787 5.885 2.005 372 HA GLN 45 HA GLN 45 -6.781 7.967 4.078 373 1HB GLN 45 1HB GLN 45 -7.436 5.240 4.164 374 2HB GLN 45 2HB GLN 45 -5.884 5.368 4.979 375 1HG GLN 45 1HG GLN 45 -7.006 5.940 6.795 376 2HG GLN 45 2HG GLN 45 -7.362 7.475 6.002 377 1HE2 GLN 45 2HE2 GLN 45 -8.531 4.125 5.791 378 2HE2 GLN 45 1HE2 GLN 45 -10.210 4.527 5.860 379 H HIS 46 H HIS 46 -4.887 7.497 1.724 380 HA HIS 46 HA HIS 46 -2.672 7.812 1.310 381 1HB HIS 46 1HB HIS 46 -2.599 8.416 4.273 382 2HB HIS 46 2HB HIS 46 -1.241 8.658 3.178 383 HD1 HIS 46 HD1 HIS 46 -2.427 10.079 0.853 384 HD2 HIS 46 HD2 HIS 46 -3.604 10.874 4.756 385 HE1 HIS 46 HE1 HIS 46 -3.420 12.389 0.796 386 HE2 HIS 46 HE2 HIS 46 -4.210 12.810 3.152 387 H ARG 47 H ARG 47 -3.528 5.232 1.550 388 HA ARG 47 HA ARG 47 -1.444 3.862 3.104 389 1HB ARG 47 1HB ARG 47 -3.920 3.288 3.386 390 2HB ARG 47 2HB ARG 47 -3.823 2.569 1.784 391 1HG ARG 47 1HG ARG 47 -1.854 1.223 2.752 392 2HG ARG 47 2HG ARG 47 -2.509 1.699 4.320 393 1HD ARG 47 1HD ARG 47 -4.738 0.848 2.969 394 2HD ARG 47 2HD ARG 47 -3.492 -0.255 2.385 395 HE ARG 47 HE ARG 47 -4.563 -0.088 5.069 396 1HH1 ARG 47 1HH1 ARG 47 -2.013 -1.263 3.013 397 2HH1 ARG 47 2HH1 ARG 47 -1.532 -2.519 4.104 398 1HH2 ARG 47 1HH2 ARG 47 -3.940 -1.736 6.517 399 2HH2 ARG 47 2HH2 ARG 47 -2.628 -2.787 6.098 400 H LEU 48 H LEU 48 0.342 3.624 1.903 401 HA LEU 48 HA LEU 48 0.034 2.729 -0.886 402 1HB LEU 48 1HB LEU 48 2.424 4.066 0.381 403 2HB LEU 48 2HB LEU 48 2.237 3.655 -1.314 404 HG LEU 48 HG LEU 48 0.433 5.608 0.104 405 1HD1 LEU 48 1HD1 LEU 48 3.168 5.936 -0.668 406 2HD1 LEU 48 2HD1 LEU 48 2.138 6.954 -1.676 407 3HD1 LEU 48 3HD1 LEU 48 2.072 7.097 0.081 408 1HD2 LEU 48 1HD2 LEU 48 0.725 4.586 -2.657 409 2HD2 LEU 48 2HD2 LEU 48 -0.715 5.118 -1.788 410 3HD2 LEU 48 3HD2 LEU 48 0.392 6.309 -2.472 411 H PHE 49 H PHE 49 0.309 0.611 -1.082 412 HA PHE 49 HA PHE 49 2.575 -0.640 0.304 413 1HB PHE 49 1HB PHE 49 -0.272 -1.633 0.226 414 2HB PHE 49 2HB PHE 49 1.086 -2.697 0.574 415 HD1 PHE 49 HD1 PHE 49 -0.350 0.563 1.684 416 HD2 PHE 49 HD2 PHE 49 1.689 -3.019 2.772 417 HE1 PHE 49 HE1 PHE 49 -0.446 1.235 4.053 418 HE2 PHE 49 HE2 PHE 49 1.598 -2.355 5.145 419 HZ PHE 49 HZ PHE 49 0.528 -0.225 5.787 420 H CYS 50 H CYS 50 3.065 -2.840 -0.642 421 HA CYS 50 HA CYS 50 2.790 -2.686 -3.565 422 1HB CYS 50 1HB CYS 50 4.968 -3.592 -1.752 423 2HB CYS 50 2HB CYS 50 4.787 -4.438 -3.286 424 H ALA 51 H ALA 51 1.413 -4.063 -4.449 425 HA ALA 51 HA ALA 51 1.003 -6.676 -3.145 426 1HB ALA 51 1HB ALA 51 -0.913 -4.887 -3.238 427 2HB ALA 51 2HB ALA 51 -1.100 -5.482 -4.887 428 3HB ALA 51 3HB ALA 51 -1.259 -6.593 -3.527 429 H ASP 52 H ASP 52 1.150 -8.480 -4.374 430 HA ASP 52 HA ASP 52 2.384 -8.265 -6.944 431 1HB ASP 52 1HB ASP 52 2.724 -10.089 -5.136 432 2HB ASP 52 2HB ASP 52 1.271 -10.819 -5.814 433 HA PRO 53 HA PRO 53 -1.236 -7.918 -9.478 434 1HB PRO 53 1HB PRO 53 0.487 -9.420 -11.392 435 2HB PRO 53 2HB PRO 53 -0.411 -7.917 -11.628 436 1HG PRO 53 1HG PRO 53 2.231 -7.881 -11.302 437 2HG PRO 53 2HG PRO 53 1.205 -6.630 -10.579 438 1HD PRO 53 1HD PRO 53 2.556 -8.955 -9.288 439 2HD PRO 53 2HD PRO 53 2.254 -7.326 -8.650 440 H LYS 54 H LYS 54 0.386 -10.885 -8.711 441 HA LYS 54 HA LYS 54 -1.449 -12.650 -9.988 442 1HB LYS 54 1HB LYS 54 -0.274 -14.397 -8.961 443 2HB LYS 54 2HB LYS 54 0.942 -13.151 -9.208 444 1HG LYS 54 1HG LYS 54 0.877 -12.524 -6.911 445 2HG LYS 54 2HG LYS 54 -0.530 -13.546 -6.616 446 1HD LYS 54 1HD LYS 54 1.193 -15.372 -7.606 447 2HD LYS 54 2HD LYS 54 2.325 -14.258 -6.833 448 1HE LYS 54 1HE LYS 54 0.048 -14.777 -5.135 449 2HE LYS 54 2HE LYS 54 0.837 -16.280 -5.611 450 1HZ LYS 54 1HZ LYS 54 2.933 -14.722 -4.978 451 2HZ LYS 54 2HZ LYS 54 1.776 -14.180 -3.868 452 3HZ LYS 54 3HZ LYS 54 2.200 -15.816 -3.916 453 H GLU 55 H GLU 55 -1.510 -10.851 -7.066 454 HA GLU 55 HA GLU 55 -3.290 -12.500 -5.590 455 1HB GLU 55 1HB GLU 55 -2.750 -9.533 -5.379 456 2HB GLU 55 2HB GLU 55 -3.650 -10.479 -4.202 457 1HG GLU 55 1HG GLU 55 -1.651 -11.837 -3.783 458 2HG GLU 55 2HG GLU 55 -0.754 -10.849 -4.936 459 H GLN 56 H GLN 56 -5.437 -12.704 -5.679 460 HA GLN 56 HA GLN 56 -6.923 -11.838 -7.864 461 1HB GLN 56 1HB GLN 56 -7.493 -13.760 -6.381 462 2HB GLN 56 2HB GLN 56 -8.009 -12.614 -5.153 463 1HG GLN 56 1HG GLN 56 -9.207 -12.868 -7.902 464 2HG GLN 56 2HG GLN 56 -9.884 -13.552 -6.425 465 1HE2 GLN 56 2HE2 GLN 56 -9.630 -10.806 -8.407 466 2HE2 GLN 56 1HE2 GLN 56 -10.517 -9.708 -7.412 467 H TRP 57 H TRP 57 -7.103 -10.633 -4.507 468 HA TRP 57 HA TRP 57 -8.955 -8.622 -4.919 469 1HB TRP 57 1HB TRP 57 -8.299 -7.724 -2.843 470 2HB TRP 57 2HB TRP 57 -7.961 -9.447 -2.718 471 HD1 TRP 57 HD1 TRP 57 -5.281 -10.134 -3.091 472 HE1 TRP 57 HE1 TRP 57 -3.181 -8.855 -2.335 473 HE3 TRP 57 HE3 TRP 57 -7.350 -5.503 -2.413 474 HZ2 TRP 57 HZ2 TRP 57 -2.489 -6.227 -1.553 475 HZ3 TRP 57 HZ3 TRP 57 -5.900 -3.658 -1.659 476 HH2 TRP 57 HH2 TRP 57 -3.519 -4.015 -1.237 477 H VAL 58 H VAL 58 -5.758 -8.781 -6.102 478 HA VAL 58 HA VAL 58 -5.462 -5.904 -6.367 479 HB VAL 58 HB VAL 58 -3.721 -8.212 -7.224 480 1HG1 VAL 58 1HG1 VAL 58 -3.673 -5.385 -8.053 481 2HG1 VAL 58 2HG1 VAL 58 -2.126 -6.065 -7.547 482 3HG1 VAL 58 3HG1 VAL 58 -3.033 -6.818 -8.859 483 1HG2 VAL 58 1HG2 VAL 58 -3.947 -7.312 -4.777 484 2HG2 VAL 58 2HG2 VAL 58 -2.360 -7.694 -5.444 485 3HG2 VAL 58 3HG2 VAL 58 -2.906 -6.018 -5.374 486 H LYS 59 H LYS 59 -6.161 -8.708 -8.382 487 HA LYS 59 HA LYS 59 -6.062 -7.366 -10.875 488 1HB LYS 59 1HB LYS 59 -7.531 -9.863 -10.009 489 2HB LYS 59 2HB LYS 59 -7.437 -9.312 -11.675 490 1HG LYS 59 1HG LYS 59 -5.202 -9.824 -11.865 491 2HG LYS 59 2HG LYS 59 -4.932 -9.754 -10.122 492 1HD LYS 59 1HD LYS 59 -6.114 -11.815 -9.798 493 2HD LYS 59 2HD LYS 59 -6.603 -11.855 -11.490 494 1HE LYS 59 1HE LYS 59 -4.263 -12.074 -12.164 495 2HE LYS 59 2HE LYS 59 -3.768 -12.023 -10.472 496 1HZ LYS 59 1HZ LYS 59 -5.391 -14.026 -10.281 497 2HZ LYS 59 2HZ LYS 59 -5.131 -14.168 -11.945 498 3HZ LYS 59 3HZ LYS 59 -3.826 -14.263 -10.874 499 H ASP 60 H ASP 60 -8.765 -8.232 -8.734 500 HA ASP 60 HA ASP 60 -10.724 -6.897 -10.311 501 1HB ASP 60 1HB ASP 60 -11.318 -8.734 -8.791 502 2HB ASP 60 2HB ASP 60 -10.827 -7.758 -7.410 503 H ALA 61 H ALA 61 -8.884 -6.045 -7.398 504 HA ALA 61 HA ALA 61 -10.117 -3.673 -6.725 505 1HB ALA 61 1HB ALA 61 -7.280 -4.601 -6.491 506 2HB ALA 61 2HB ALA 61 -7.741 -2.979 -5.978 507 3HB ALA 61 3HB ALA 61 -8.493 -4.388 -5.229 508 H MET 62 H MET 62 -7.639 -4.260 -9.181 509 HA MET 62 HA MET 62 -7.390 -1.509 -9.909 510 1HB MET 62 1HB MET 62 -6.415 -4.098 -11.056 511 2HB MET 62 2HB MET 62 -6.309 -2.630 -12.018 512 1HG MET 62 1HG MET 62 -5.131 -1.622 -9.972 513 2HG MET 62 2HG MET 62 -4.938 -3.293 -9.445 514 1HE MET 62 1HE MET 62 -4.409 -5.032 -11.696 515 2HE MET 62 2HE MET 62 -4.876 -3.964 -13.019 516 3HE MET 62 3HE MET 62 -3.224 -4.572 -12.918 517 H GLN 63 H GLN 63 -8.652 -4.281 -11.773 518 HA GLN 63 HA GLN 63 -9.811 -2.935 -13.844 519 1HB GLN 63 1HB GLN 63 -9.852 -5.526 -12.981 520 2HB GLN 63 2HB GLN 63 -11.531 -5.060 -12.740 521 1HG GLN 63 1HG GLN 63 -11.150 -4.105 -15.216 522 2HG GLN 63 2HG GLN 63 -10.005 -5.445 -15.231 523 1HE2 GLN 63 2HE2 GLN 63 -11.530 -6.167 -16.932 524 2HE2 GLN 63 1HE2 GLN 63 -12.894 -7.108 -16.444 525 H HIS 64 H HIS 64 -10.801 -3.023 -10.533 526 HA HIS 64 HA HIS 64 -13.451 -2.044 -10.948 527 1HB HIS 64 1HB HIS 64 -12.625 -3.349 -8.926 528 2HB HIS 64 2HB HIS 64 -11.857 -1.856 -8.398 529 HD1 HIS 64 HD1 HIS 64 -15.308 -3.216 -9.171 530 HD2 HIS 64 HD2 HIS 64 -13.490 -0.160 -7.024 531 HE1 HIS 64 HE1 HIS 64 -17.153 -2.130 -7.854 532 HE2 HIS 64 HE2 HIS 64 -16.014 -0.341 -6.495 533 H LEU 65 H LEU 65 -10.517 -0.552 -9.585 534 HA LEU 65 HA LEU 65 -11.376 2.009 -9.228 535 1HB LEU 65 1HB LEU 65 -8.717 1.015 -10.237 536 2HB LEU 65 2HB LEU 65 -9.007 2.695 -9.833 537 HG LEU 65 HG LEU 65 -9.182 0.358 -7.931 538 1HD1 LEU 65 1HD1 LEU 65 -6.906 1.284 -8.776 539 2HD1 LEU 65 2HD1 LEU 65 -7.274 2.645 -7.717 540 3HD1 LEU 65 3HD1 LEU 65 -7.155 1.016 -7.050 541 1HD2 LEU 65 1HD2 LEU 65 -10.466 2.858 -7.808 542 2HD2 LEU 65 2HD2 LEU 65 -10.324 1.647 -6.533 543 3HD2 LEU 65 3HD2 LEU 65 -9.118 2.927 -6.674 544 H ASP 66 H ASP 66 -10.450 0.478 -12.262 545 HA ASP 66 HA ASP 66 -10.248 2.590 -13.978 546 1HB ASP 66 1HB ASP 66 -11.303 -0.187 -14.281 547 2HB ASP 66 2HB ASP 66 -11.547 0.943 -15.610 548 H ARG 67 H ARG 67 -13.293 0.914 -13.177 549 HA ARG 67 HA ARG 67 -14.808 3.128 -14.319 550 1HB ARG 67 1HB ARG 67 -15.786 0.526 -13.132 551 2HB ARG 67 2HB ARG 67 -16.766 1.697 -14.002 552 1HG ARG 67 1HG ARG 67 -16.300 0.661 -15.897 553 2HG ARG 67 2HG ARG 67 -14.587 1.026 -15.670 554 1HD ARG 67 1HD ARG 67 -14.178 -1.135 -15.379 555 2HD ARG 67 2HD ARG 67 -15.215 -1.126 -13.952 556 HE ARG 67 HE ARG 67 -16.821 -2.208 -15.167 557 1HH1 ARG 67 1HH1 ARG 67 -14.510 -0.798 -17.357 558 2HH1 ARG 67 2HH1 ARG 67 -15.188 -1.549 -18.762 559 1HH2 ARG 67 1HH2 ARG 67 -17.723 -3.202 -17.010 560 2HH2 ARG 67 2HH2 ARG 67 -17.015 -2.916 -18.565 561 H GLN 68 H GLN 68 -13.654 4.288 -12.355 562 HA GLN 68 HA GLN 68 -15.727 4.576 -10.319 563 1HB GLN 68 1HB GLN 68 -13.329 3.210 -9.802 564 2HB GLN 68 2HB GLN 68 -13.127 4.801 -9.077 565 1HG GLN 68 1HG GLN 68 -15.137 4.509 -7.778 566 2HG GLN 68 2HG GLN 68 -15.458 2.965 -8.569 567 1HE2 GLN 68 2HE2 GLN 68 -13.096 1.714 -8.548 568 2HE2 GLN 68 1HE2 GLN 68 -12.546 1.452 -6.931 569 H ALA 69 H ALA 69 -12.408 5.786 -10.802 570 HA ALA 69 HA ALA 69 -12.838 8.381 -9.978 571 1HB ALA 69 1HB ALA 69 -10.737 6.951 -11.153 572 2HB ALA 69 2HB ALA 69 -10.983 8.370 -12.173 573 3HB ALA 69 3HB ALA 69 -10.675 8.566 -10.447 574 H ALA 70 H ALA 70 -13.339 6.973 -13.177 575 HA ALA 70 HA ALA 70 -14.279 9.540 -14.207 576 1HB ALA 70 1HB ALA 70 -13.752 6.901 -15.559 577 2HB ALA 70 2HB ALA 70 -14.409 8.317 -16.382 578 3HB ALA 70 3HB ALA 70 -12.795 8.378 -15.671 579 H ALA 71 H ALA 71 -15.463 6.456 -13.143 580 HA ALA 71 HA ALA 71 -17.954 6.392 -14.384 581 1HB ALA 71 1HB ALA 71 -16.641 4.764 -12.662 582 2HB ALA 71 2HB ALA 71 -17.904 5.416 -11.617 583 3HB ALA 71 3HB ALA 71 -18.338 4.581 -13.109 584 H LEU 72 H LEU 72 -16.757 8.550 -12.073 585 HA LEU 72 HA LEU 72 -19.483 9.486 -11.468 586 1HB LEU 72 1HB LEU 72 -17.520 8.673 -9.670 587 2HB LEU 72 2HB LEU 72 -17.467 10.421 -9.613 588 HG LEU 72 HG LEU 72 -20.172 9.592 -9.511 589 1HD1 LEU 72 1HD1 LEU 72 -18.355 7.807 -8.159 590 2HD1 LEU 72 2HD1 LEU 72 -19.453 8.596 -7.028 591 3HD1 LEU 72 3HD1 LEU 72 -20.099 7.676 -8.387 592 1HD2 LEU 72 1HD2 LEU 72 -18.272 11.004 -7.683 593 2HD2 LEU 72 2HD2 LEU 72 -19.597 11.675 -8.634 594 3HD2 LEU 72 3HD2 LEU 72 -19.943 10.688 -7.214 595 H THR 73 H THR 73 -16.288 10.292 -12.552 596 HA THR 73 HA THR 73 -17.230 13.003 -13.176 597 HB THR 73 HB THR 73 -14.713 13.636 -12.750 598 HG1 THR 73 HG1 THR 73 -15.088 11.314 -11.183 599 1HG2 THR 73 1HG2 THR 73 -17.000 13.545 -10.931 600 2HG2 THR 73 2HG2 THR 73 -15.430 13.658 -10.137 601 3HG2 THR 73 3HG2 THR 73 -15.906 14.872 -11.326 602 H ARG 74 H ARG 74 -17.594 12.184 -15.300 603 HA ARG 74 HA ARG 74 -15.914 10.819 -16.953 604 1HB ARG 74 1HB ARG 74 -18.257 12.176 -17.296 605 2HB ARG 74 2HB ARG 74 -17.153 13.155 -18.251 606 1HG ARG 74 1HG ARG 74 -17.219 11.689 -19.904 607 2HG ARG 74 2HG ARG 74 -16.703 10.392 -18.826 608 1HD ARG 74 1HD ARG 74 -18.731 9.562 -19.439 609 2HD ARG 74 2HD ARG 74 -19.234 10.532 -18.057 610 HE ARG 74 HE ARG 74 -19.322 12.085 -20.412 611 1HH1 ARG 74 1HH1 ARG 74 -20.991 9.489 -18.800 612 2HH1 ARG 74 2HH1 ARG 74 -22.524 9.853 -19.521 613 1HH2 ARG 74 1HH2 ARG 74 -21.335 12.573 -21.367 614 2HH2 ARG 74 2HH2 ARG 74 -22.718 11.605 -20.982 615 H ASN 75 H ASN 75 -13.742 11.218 -16.699 616 HA ASN 75 HA ASN 75 -12.792 13.756 -17.835 617 1HB ASN 75 1HB ASN 75 -12.595 13.230 -15.164 618 2HB ASN 75 2HB ASN 75 -11.062 12.590 -15.753 619 1HD2 ASN 75 2HD2 ASN 75 -9.920 14.202 -14.675 620 2HD2 ASN 75 1HD2 ASN 75 -9.876 15.831 -15.250 621 H GLY 76 H GLY 76 -12.153 12.957 -19.779 622 1HA GLY 76 1HA GLY 76 -10.341 10.633 -19.767 623 2HA GLY 76 2HA GLY 76 -11.269 11.182 -21.154 Start of MODEL 14 1 2H MET 0 2H MET 0 22.441 0.974 5.597 2 3H MET 0 3H MET 0 22.221 1.602 4.014 3 1H MET 0 1H MET 0 20.858 1.192 4.976 4 HA MET 0 HA MET 0 21.456 -0.398 3.197 5 1HB MET 0 1HB MET 0 23.909 -0.141 3.599 6 2HB MET 0 2HB MET 0 23.710 -0.989 5.128 7 1HG MET 0 1HG MET 0 22.562 -2.494 2.957 8 2HG MET 0 2HG MET 0 24.250 -2.098 2.636 9 1HE MET 0 1HE MET 0 23.931 -4.884 2.558 10 2HE MET 0 2HE MET 0 25.579 -4.370 2.919 11 3HE MET 0 3HE MET 0 24.837 -5.673 3.849 12 H GLN 1 H GLN 1 20.511 -2.418 3.440 13 HA GLN 1 HA GLN 1 19.469 -2.975 6.133 14 1HB GLN 1 1HB GLN 1 18.386 -3.556 3.383 15 2HB GLN 1 2HB GLN 1 17.767 -4.372 4.813 16 1HG GLN 1 1HG GLN 1 17.888 -1.484 5.122 17 2HG GLN 1 2HG GLN 1 16.864 -1.995 3.783 18 1HE2 GLN 1 2HE2 GLN 1 15.274 -0.938 5.279 19 2HE2 GLN 1 1HE2 GLN 1 14.498 -1.952 6.441 20 H HIS 2 H HIS 2 20.609 -4.640 3.197 21 HA HIS 2 HA HIS 2 22.401 -6.339 4.394 22 1HB HIS 2 1HB HIS 2 20.676 -7.315 5.735 23 2HB HIS 2 2HB HIS 2 19.614 -7.500 4.342 24 HD1 HIS 2 HD1 HIS 2 23.196 -8.650 4.958 25 HD2 HIS 2 HD2 HIS 2 19.490 -10.141 3.814 26 HE1 HIS 2 HE1 HIS 2 23.575 -11.087 4.466 27 HE2 HIS 2 HE2 HIS 2 21.301 -11.987 3.858 28 H HIS 3 H HIS 3 19.702 -6.527 2.079 29 HA HIS 3 HA HIS 3 21.370 -7.958 0.181 30 1HB HIS 3 1HB HIS 3 18.552 -6.964 -0.253 31 2HB HIS 3 2HB HIS 3 19.390 -8.246 -1.124 32 HD1 HIS 3 HD1 HIS 3 19.209 -10.576 -0.201 33 HD2 HIS 3 HD2 HIS 3 17.797 -7.692 2.437 34 HE1 HIS 3 HE1 HIS 3 18.117 -11.852 1.671 35 HE2 HIS 3 HE2 HIS 3 17.213 -10.086 3.222 36 H GLY 4 H GLY 4 22.847 -6.708 -0.802 37 1HA GLY 4 1HA GLY 4 23.775 -4.947 -1.961 38 2HA GLY 4 2HA GLY 4 22.265 -4.994 -2.856 39 H VAL 5 H VAL 5 22.983 -2.631 -2.979 40 HA VAL 5 HA VAL 5 22.054 -1.141 -0.619 41 HB VAL 5 HB VAL 5 24.231 -0.414 -1.211 42 1HG1 VAL 5 1HG1 VAL 5 23.216 -0.650 -3.991 43 2HG1 VAL 5 2HG1 VAL 5 24.455 0.560 -3.661 44 3HG1 VAL 5 3HG1 VAL 5 24.765 -1.139 -3.306 45 1HG2 VAL 5 1HG2 VAL 5 22.069 1.298 -1.214 46 2HG2 VAL 5 2HG2 VAL 5 23.764 1.764 -1.065 47 3HG2 VAL 5 3HG2 VAL 5 22.980 1.783 -2.645 48 H THR 6 H THR 6 20.018 -0.482 -0.705 49 HA THR 6 HA THR 6 18.802 0.046 -3.327 50 HB THR 6 HB THR 6 16.765 0.100 -1.446 51 HG1 THR 6 HG1 THR 6 17.629 -0.871 0.214 52 1HG2 THR 6 1HG2 THR 6 17.298 -1.295 -3.725 53 2HG2 THR 6 2HG2 THR 6 17.280 -2.566 -2.503 54 3HG2 THR 6 3HG2 THR 6 15.879 -1.512 -2.700 55 H LYS 7 H LYS 7 16.943 1.739 -3.125 56 HA LYS 7 HA LYS 7 17.012 3.825 -1.308 57 1HB LYS 7 1HB LYS 7 19.346 4.089 -2.260 58 2HB LYS 7 2HB LYS 7 18.590 4.529 -3.785 59 1HG LYS 7 1HG LYS 7 17.365 6.329 -2.433 60 2HG LYS 7 2HG LYS 7 18.569 6.011 -1.183 61 1HD LYS 7 1HD LYS 7 19.815 7.533 -2.257 62 2HD LYS 7 2HD LYS 7 20.111 6.251 -3.432 63 1HE LYS 7 1HE LYS 7 17.602 7.535 -3.979 64 2HE LYS 7 2HE LYS 7 18.885 8.740 -3.871 65 1HZ LYS 7 1HZ LYS 7 20.056 6.859 -5.362 66 2HZ LYS 7 2HZ LYS 7 18.447 6.674 -5.853 67 3HZ LYS 7 3HZ LYS 7 19.211 8.176 -6.003 68 H CYS 8 H CYS 8 15.089 2.432 -2.666 69 HA CYS 8 HA CYS 8 14.022 4.331 -4.635 70 1HB CYS 8 1HB CYS 8 13.934 1.428 -4.364 71 2HB CYS 8 2HB CYS 8 12.339 2.128 -4.626 72 H ASN 9 H ASN 9 12.232 5.468 -4.237 73 HA ASN 9 HA ASN 9 11.274 6.186 -1.860 74 1HB ASN 9 1HB ASN 9 8.983 6.471 -2.992 75 2HB ASN 9 2HB ASN 9 10.358 7.291 -3.724 76 1HD2 ASN 9 2HD2 ASN 9 11.168 6.560 -5.680 77 2HD2 ASN 9 1HD2 ASN 9 10.286 5.478 -6.698 78 H ILE 10 H ILE 10 9.949 3.423 -3.672 79 HA ILE 10 HA ILE 10 9.056 2.283 -1.110 80 HB ILE 10 HB ILE 10 7.145 3.274 -2.424 81 1HG1 ILE 10 1HG1 ILE 10 6.708 0.327 -2.265 82 2HG1 ILE 10 2HG1 ILE 10 7.202 1.168 -0.799 83 1HG2 ILE 10 1HG2 ILE 10 8.146 2.491 -4.637 84 2HG2 ILE 10 2HG2 ILE 10 7.479 0.907 -4.241 85 3HG2 ILE 10 3HG2 ILE 10 6.406 2.294 -4.424 86 1HD1 ILE 10 1HD1 ILE 10 4.868 2.061 -2.450 87 2HD1 ILE 10 2HD1 ILE 10 4.725 0.865 -1.162 88 3HD1 ILE 10 3HD1 ILE 10 5.276 2.498 -0.790 89 H THR 11 H THR 11 10.071 0.423 -0.787 90 HA THR 11 HA THR 11 10.926 -1.151 -3.118 91 HB THR 11 HB THR 11 12.644 -0.379 -1.437 92 HG1 THR 11 HG1 THR 11 12.323 -3.176 -1.766 93 1HG2 THR 11 1HG2 THR 11 11.114 -0.910 0.553 94 2HG2 THR 11 2HG2 THR 11 11.658 -2.573 0.334 95 3HG2 THR 11 3HG2 THR 11 12.830 -1.300 0.678 96 H CYS 12 H CYS 12 9.202 -2.418 -3.601 97 HA CYS 12 HA CYS 12 7.475 -3.622 -1.737 98 1HB CYS 12 1HB CYS 12 8.112 -4.484 -4.567 99 2HB CYS 12 2HB CYS 12 6.726 -5.018 -3.623 100 H SER 13 H SER 13 9.107 -4.414 -0.203 101 HA SER 13 HA SER 13 10.780 -6.619 -0.925 102 1HB SER 13 1HB SER 13 10.631 -6.745 1.799 103 2HB SER 13 2HB SER 13 11.744 -5.705 0.910 104 HG SER 13 HG SER 13 9.775 -4.995 2.549 105 H LYS 14 H LYS 14 7.801 -6.311 1.002 106 HA LYS 14 HA LYS 14 7.343 -9.191 0.566 107 1HB LYS 14 1HB LYS 14 6.910 -7.462 2.967 108 2HB LYS 14 2HB LYS 14 5.834 -8.827 2.699 109 1HG LYS 14 1HG LYS 14 7.715 -9.360 4.192 110 2HG LYS 14 2HG LYS 14 7.689 -10.361 2.736 111 1HD LYS 14 1HD LYS 14 9.476 -9.159 1.764 112 2HD LYS 14 2HD LYS 14 9.342 -7.857 2.947 113 1HE LYS 14 1HE LYS 14 11.264 -9.483 3.259 114 2HE LYS 14 2HE LYS 14 10.244 -9.186 4.666 115 1HZ LYS 14 1HZ LYS 14 9.595 -11.439 2.901 116 2HZ LYS 14 2HZ LYS 14 10.889 -11.602 3.978 117 3HZ LYS 14 3HZ LYS 14 9.338 -11.267 4.564 118 H MET 15 H MET 15 4.805 -9.535 1.209 119 HA MET 15 HA MET 15 3.319 -7.673 -0.526 120 1HB MET 15 1HB MET 15 3.019 -10.660 -0.203 121 2HB MET 15 2HB MET 15 1.841 -9.654 -1.033 122 1HG MET 15 1HG MET 15 4.681 -10.218 -1.817 123 2HG MET 15 2HG MET 15 3.203 -10.606 -2.698 124 1HE MET 15 1HE MET 15 6.140 -8.454 -2.498 125 2HE MET 15 2HE MET 15 5.746 -9.116 -4.084 126 3HE MET 15 3HE MET 15 5.799 -7.369 -3.847 127 H THR 16 H THR 16 1.538 -6.749 0.285 128 HA THR 16 HA THR 16 0.919 -7.060 3.051 129 HB THR 16 HB THR 16 0.714 -4.943 1.613 130 HG1 THR 16 HG1 THR 16 -0.453 -5.658 3.790 131 1HG2 THR 16 1HG2 THR 16 -1.880 -6.281 0.898 132 2HG2 THR 16 2HG2 THR 16 -1.581 -4.549 0.744 133 3HG2 THR 16 3HG2 THR 16 -0.631 -5.696 -0.200 134 H SER 17 H SER 17 -1.771 -6.916 3.295 135 HA SER 17 HA SER 17 -2.622 -9.578 2.383 136 1HB SER 17 1HB SER 17 -3.816 -7.957 4.637 137 2HB SER 17 2HB SER 17 -4.071 -9.668 4.293 138 HG SER 17 HG SER 17 -1.722 -8.403 5.236 139 H LYS 18 H LYS 18 -5.013 -9.820 2.040 140 HA LYS 18 HA LYS 18 -5.882 -8.170 -0.031 141 1HB LYS 18 1HB LYS 18 -6.661 -10.522 0.524 142 2HB LYS 18 2HB LYS 18 -7.707 -9.797 1.737 143 1HG LYS 18 1HG LYS 18 -8.206 -8.367 -0.605 144 2HG LYS 18 2HG LYS 18 -8.095 -10.058 -1.100 145 1HD LYS 18 1HD LYS 18 -9.683 -9.405 1.329 146 2HD LYS 18 2HD LYS 18 -10.369 -9.008 -0.249 147 1HE LYS 18 1HE LYS 18 -10.944 -11.289 0.719 148 2HE LYS 18 2HE LYS 18 -10.355 -11.249 -0.942 149 1HZ LYS 18 1HZ LYS 18 -8.627 -11.807 1.405 150 2HZ LYS 18 2HZ LYS 18 -9.352 -13.012 0.466 151 3HZ LYS 18 3HZ LYS 18 -8.217 -11.967 -0.229 152 H ILE 19 H ILE 19 -7.053 -6.343 -0.146 153 HA ILE 19 HA ILE 19 -8.274 -5.303 2.320 154 HB ILE 19 HB ILE 19 -6.957 -3.413 0.412 155 1HG1 ILE 19 1HG1 ILE 19 -5.532 -4.688 2.753 156 2HG1 ILE 19 2HG1 ILE 19 -5.282 -5.172 1.077 157 1HG2 ILE 19 1HG2 ILE 19 -7.719 -3.373 3.317 158 2HG2 ILE 19 2HG2 ILE 19 -6.682 -2.146 2.591 159 3HG2 ILE 19 3HG2 ILE 19 -8.332 -2.362 2.009 160 1HD1 ILE 19 1HD1 ILE 19 -4.715 -2.692 0.682 161 2HD1 ILE 19 2HD1 ILE 19 -4.525 -2.624 2.435 162 3HD1 ILE 19 3HD1 ILE 19 -3.529 -3.725 1.481 163 HA PRO 20 HA PRO 20 -11.918 -4.724 -0.091 164 1HB PRO 20 1HB PRO 20 -12.264 -2.232 1.480 165 2HB PRO 20 2HB PRO 20 -13.359 -3.599 1.289 166 1HG PRO 20 1HG PRO 20 -12.004 -3.214 3.552 167 2HG PRO 20 2HG PRO 20 -12.297 -4.836 2.910 168 1HD PRO 20 1HD PRO 20 -9.801 -3.202 2.859 169 2HD PRO 20 2HD PRO 20 -9.998 -4.955 3.059 170 H VAL 21 H VAL 21 -12.368 -3.767 -1.989 171 HA VAL 21 HA VAL 21 -10.561 -1.877 -3.107 172 HB VAL 21 HB VAL 21 -13.216 -2.204 -4.385 173 1HG1 VAL 21 1HG1 VAL 21 -10.344 -2.189 -5.259 174 2HG1 VAL 21 2HG1 VAL 21 -11.648 -2.661 -6.347 175 3HG1 VAL 21 3HG1 VAL 21 -11.625 -1.041 -5.652 176 1HG2 VAL 21 1HG2 VAL 21 -11.390 -4.487 -3.776 177 2HG2 VAL 21 2HG2 VAL 21 -13.153 -4.416 -3.741 178 3HG2 VAL 21 3HG2 VAL 21 -12.303 -4.467 -5.285 179 H ALA 22 H ALA 22 -13.498 -1.611 -1.330 180 HA ALA 22 HA ALA 22 -14.342 0.930 -2.228 181 1HB ALA 22 1HB ALA 22 -14.877 -0.663 0.254 182 2HB ALA 22 2HB ALA 22 -15.516 0.968 0.056 183 3HB ALA 22 3HB ALA 22 -15.963 -0.298 -1.087 184 H LEU 23 H LEU 23 -11.600 0.040 -0.535 185 HA LEU 23 HA LEU 23 -11.394 2.635 0.828 186 1HB LEU 23 1HB LEU 23 -9.627 0.210 1.141 187 2HB LEU 23 2HB LEU 23 -9.598 1.662 2.124 188 HG LEU 23 HG LEU 23 -11.668 -0.513 2.079 189 1HD1 LEU 23 1HD1 LEU 23 -9.476 -0.265 3.595 190 2HD1 LEU 23 2HD1 LEU 23 -10.607 0.682 4.560 191 3HD1 LEU 23 3HD1 LEU 23 -10.972 -1.001 4.172 192 1HD2 LEU 23 1HD2 LEU 23 -11.931 2.283 3.153 193 2HD2 LEU 23 2HD2 LEU 23 -12.982 1.459 2.002 194 3HD2 LEU 23 3HD2 LEU 23 -12.941 0.937 3.686 195 H LEU 24 H LEU 24 -10.254 0.851 -1.854 196 HA LEU 24 HA LEU 24 -7.756 2.244 -2.153 197 1HB LEU 24 1HB LEU 24 -9.298 0.593 -4.156 198 2HB LEU 24 2HB LEU 24 -7.639 1.127 -4.329 199 HG LEU 24 HG LEU 24 -8.741 -0.932 -2.432 200 1HD1 LEU 24 1HD1 LEU 24 -6.812 -0.910 -4.718 201 2HD1 LEU 24 2HD1 LEU 24 -6.721 -2.161 -3.477 202 3HD1 LEU 24 3HD1 LEU 24 -8.193 -1.968 -4.429 203 1HD2 LEU 24 1HD2 LEU 24 -7.172 0.687 -1.291 204 2HD2 LEU 24 2HD2 LEU 24 -6.688 -1.009 -1.266 205 3HD2 LEU 24 3HD2 LEU 24 -5.920 0.111 -2.392 206 H ILE 25 H ILE 25 -7.246 3.803 -3.727 207 HA ILE 25 HA ILE 25 -9.566 5.204 -4.884 208 HB ILE 25 HB ILE 25 -8.358 7.336 -4.549 209 1HG1 ILE 25 1HG1 ILE 25 -6.529 5.842 -2.676 210 2HG1 ILE 25 2HG1 ILE 25 -6.092 6.132 -4.358 211 1HG2 ILE 25 1HG2 ILE 25 -10.073 6.544 -2.963 212 2HG2 ILE 25 2HG2 ILE 25 -8.800 5.809 -1.988 213 3HG2 ILE 25 3HG2 ILE 25 -8.853 7.560 -2.196 214 1HD1 ILE 25 1HD1 ILE 25 -6.968 8.472 -2.783 215 2HD1 ILE 25 2HD1 ILE 25 -5.401 7.767 -2.385 216 3HD1 ILE 25 3HD1 ILE 25 -5.724 8.334 -4.023 217 H HIS 26 H HIS 26 -6.146 4.392 -5.181 218 HA HIS 26 HA HIS 26 -6.385 4.570 -8.071 219 1HB HIS 26 1HB HIS 26 -4.975 6.557 -6.465 220 2HB HIS 26 2HB HIS 26 -3.938 5.809 -7.676 221 HD1 HIS 26 HD1 HIS 26 -4.184 6.613 -10.033 222 HD2 HIS 26 HD2 HIS 26 -7.319 7.842 -7.599 223 HE1 HIS 26 HE1 HIS 26 -5.526 8.219 -11.427 224 HE2 HIS 26 HE2 HIS 26 -7.366 9.018 -9.902 225 H TYR 27 H TYR 27 -4.538 3.632 -9.196 226 HA TYR 27 HA TYR 27 -2.909 1.843 -7.528 227 1HB TYR 27 1HB TYR 27 -3.371 -0.045 -8.860 228 2HB TYR 27 2HB TYR 27 -4.941 0.708 -8.608 229 HD1 TYR 27 HD1 TYR 27 -5.954 2.076 -10.458 230 HD2 TYR 27 HD2 TYR 27 -2.474 -0.316 -11.039 231 HE1 TYR 27 HE1 TYR 27 -6.308 2.165 -12.894 232 HE2 TYR 27 HE2 TYR 27 -2.817 -0.233 -13.477 233 HH TYR 27 HH TYR 27 -5.681 0.767 -14.900 234 H GLN 28 H GLN 28 -0.851 1.391 -8.310 235 HA GLN 28 HA GLN 28 -0.061 2.530 -10.874 236 1HB GLN 28 1HB GLN 28 2.040 3.357 -9.356 237 2HB GLN 28 2HB GLN 28 0.705 4.386 -9.857 238 1HG GLN 28 1HG GLN 28 0.148 2.889 -7.430 239 2HG GLN 28 2HG GLN 28 1.537 3.966 -7.283 240 1HE2 GLN 28 2HE2 GLN 28 -1.477 3.879 -6.454 241 2HE2 GLN 28 1HE2 GLN 28 -1.985 5.506 -6.738 242 H GLN 29 H GLN 29 2.181 1.917 -11.476 243 HA GLN 29 HA GLN 29 2.714 -0.816 -10.578 244 1HB GLN 29 1HB GLN 29 2.865 0.557 -13.098 245 2HB GLN 29 2HB GLN 29 4.437 -0.125 -12.706 246 1HG GLN 29 1HG GLN 29 3.498 -1.875 -13.819 247 2HG GLN 29 2HG GLN 29 3.025 -2.266 -12.166 248 1HE2 GLN 29 2HE2 GLN 29 1.913 -2.415 -15.127 249 2HE2 GLN 29 1HE2 GLN 29 0.234 -2.082 -14.886 250 H ASN 30 H ASN 30 4.954 -1.506 -10.280 251 HA ASN 30 HA ASN 30 6.415 0.447 -8.713 252 1HB ASN 30 1HB ASN 30 5.988 -2.175 -8.307 253 2HB ASN 30 2HB ASN 30 7.529 -2.271 -9.154 254 1HD2 ASN 30 2HD2 ASN 30 8.913 -2.759 -7.579 255 2HD2 ASN 30 1HD2 ASN 30 9.155 -1.827 -6.145 256 H GLN 31 H GLN 31 8.769 0.682 -8.959 257 HA GLN 31 HA GLN 31 9.436 1.084 -11.753 258 1HB GLN 31 1HB GLN 31 10.589 1.968 -9.141 259 2HB GLN 31 2HB GLN 31 11.612 1.993 -10.570 260 1HG GLN 31 1HG GLN 31 10.265 3.572 -11.648 261 2HG GLN 31 2HG GLN 31 8.918 3.305 -10.541 262 1HE2 GLN 31 2HE2 GLN 31 10.320 5.771 -11.284 263 2HE2 GLN 31 1HE2 GLN 31 10.884 6.456 -9.801 264 H ALA 32 H ALA 32 10.522 -0.342 -12.924 265 HA ALA 32 HA ALA 32 11.463 -2.787 -11.980 266 1HB ALA 32 1HB ALA 32 11.820 -1.249 -14.502 267 2HB ALA 32 2HB ALA 32 12.846 -2.655 -14.218 268 3HB ALA 32 3HB ALA 32 11.092 -2.834 -14.237 269 H SER 33 H SER 33 12.755 -2.381 -10.148 270 HA SER 33 HA SER 33 15.442 -2.579 -10.370 271 1HB SER 33 1HB SER 33 15.959 -0.044 -9.627 272 2HB SER 33 2HB SER 33 16.009 -0.575 -11.307 273 HG SER 33 HG SER 33 14.061 0.932 -9.967 274 H CYS 34 H CYS 34 12.743 -1.318 -8.611 275 HA CYS 34 HA CYS 34 14.180 -1.653 -6.070 276 1HB CYS 34 1HB CYS 34 11.461 -0.577 -5.916 277 2HB CYS 34 2HB CYS 34 12.957 0.039 -5.220 278 H GLY 35 H GLY 35 13.697 -3.283 -4.732 279 1HA GLY 35 1HA GLY 35 12.833 -5.332 -4.119 280 2HA GLY 35 2HA GLY 35 11.310 -4.457 -4.165 281 H LYS 36 H LYS 36 10.343 -6.502 -4.752 282 HA LYS 36 HA LYS 36 11.015 -7.626 -7.335 283 1HB LYS 36 1HB LYS 36 8.693 -8.352 -5.549 284 2HB LYS 36 2HB LYS 36 9.383 -9.318 -6.845 285 1HG LYS 36 1HG LYS 36 10.578 -10.339 -5.289 286 2HG LYS 36 2HG LYS 36 11.519 -8.852 -5.151 287 1HD LYS 36 1HD LYS 36 10.569 -8.282 -3.184 288 2HD LYS 36 2HD LYS 36 8.982 -8.897 -3.654 289 1HE LYS 36 1HE LYS 36 11.086 -10.923 -3.251 290 2HE LYS 36 2HE LYS 36 10.555 -10.065 -1.805 291 1HZ LYS 36 1HZ LYS 36 8.252 -10.670 -2.406 292 2HZ LYS 36 2HZ LYS 36 8.848 -11.602 -3.685 293 3HZ LYS 36 3HZ LYS 36 9.226 -12.017 -2.089 294 H ARG 37 H ARG 37 9.402 -7.933 -9.019 295 HA ARG 37 HA ARG 37 8.137 -5.512 -9.733 296 1HB ARG 37 1HB ARG 37 8.741 -7.993 -10.976 297 2HB ARG 37 2HB ARG 37 7.023 -7.699 -11.202 298 1HG ARG 37 1HG ARG 37 7.365 -5.834 -12.484 299 2HG ARG 37 2HG ARG 37 8.934 -5.489 -11.757 300 1HD ARG 37 1HD ARG 37 8.466 -6.715 -14.206 301 2HD ARG 37 2HD ARG 37 10.001 -6.626 -13.343 302 HE ARG 37 HE ARG 37 9.822 -8.857 -12.902 303 1HH1 ARG 37 1HH1 ARG 37 6.675 -7.629 -13.746 304 2HH1 ARG 37 2HH1 ARG 37 5.923 -9.189 -13.747 305 1HH2 ARG 37 1HH2 ARG 37 8.841 -10.918 -12.898 306 2HH2 ARG 37 2HH2 ARG 37 7.155 -11.059 -13.263 307 H ALA 38 H ALA 38 6.712 -4.976 -8.053 308 HA ALA 38 HA ALA 38 4.277 -6.634 -7.930 309 1HB ALA 38 1HB ALA 38 5.938 -5.938 -5.833 310 2HB ALA 38 2HB ALA 38 4.597 -4.801 -5.703 311 3HB ALA 38 3HB ALA 38 4.284 -6.537 -5.704 312 H ILE 39 H ILE 39 2.662 -4.825 -6.578 313 HA ILE 39 HA ILE 39 2.480 -2.558 -8.451 314 HB ILE 39 HB ILE 39 0.204 -4.256 -7.423 315 1HG1 ILE 39 1HG1 ILE 39 1.662 -5.032 -9.404 316 2HG1 ILE 39 2HG1 ILE 39 -0.084 -5.007 -9.630 317 1HG2 ILE 39 1HG2 ILE 39 0.144 -1.731 -9.069 318 2HG2 ILE 39 2HG2 ILE 39 -1.244 -2.775 -8.762 319 3HG2 ILE 39 3HG2 ILE 39 -0.460 -1.932 -7.425 320 1HD1 ILE 39 1HD1 ILE 39 1.581 -2.665 -10.443 321 2HD1 ILE 39 2HD1 ILE 39 1.438 -4.080 -11.485 322 3HD1 ILE 39 3HD1 ILE 39 -0.004 -3.170 -11.031 323 H ILE 40 H ILE 40 1.450 -0.662 -7.634 324 HA ILE 40 HA ILE 40 1.597 -0.467 -4.700 325 HB ILE 40 HB ILE 40 1.691 1.853 -6.618 326 1HG1 ILE 40 1HG1 ILE 40 3.539 0.091 -6.948 327 2HG1 ILE 40 2HG1 ILE 40 4.042 1.759 -6.689 328 1HG2 ILE 40 1HG2 ILE 40 2.409 1.490 -3.719 329 2HG2 ILE 40 2HG2 ILE 40 2.862 2.909 -4.661 330 3HG2 ILE 40 3HG2 ILE 40 1.160 2.527 -4.405 331 1HD1 ILE 40 1HD1 ILE 40 3.960 -0.371 -4.568 332 2HD1 ILE 40 2HD1 ILE 40 5.402 0.154 -5.439 333 3HD1 ILE 40 3HD1 ILE 40 4.552 1.279 -4.379 334 H LEU 41 H LEU 41 -0.257 -0.265 -3.646 335 HA LEU 41 HA LEU 41 -2.619 0.690 -5.114 336 1HB LEU 41 1HB LEU 41 -2.399 -0.990 -2.616 337 2HB LEU 41 2HB LEU 41 -3.912 -0.413 -3.286 338 HG LEU 41 HG LEU 41 -2.056 -2.502 -4.365 339 1HD1 LEU 41 1HD1 LEU 41 -4.466 -2.538 -2.978 340 2HD1 LEU 41 2HD1 LEU 41 -4.900 -2.906 -4.647 341 3HD1 LEU 41 3HD1 LEU 41 -3.698 -3.890 -3.811 342 1HD2 LEU 41 1HD2 LEU 41 -4.071 -0.891 -5.920 343 2HD2 LEU 41 2HD2 LEU 41 -2.350 -1.080 -6.256 344 3HD2 LEU 41 3HD2 LEU 41 -3.443 -2.451 -6.450 345 H GLU 42 H GLU 42 -3.458 2.601 -4.623 346 HA GLU 42 HA GLU 42 -2.557 3.933 -2.162 347 1HB GLU 42 1HB GLU 42 -2.123 5.007 -4.412 348 2HB GLU 42 2HB GLU 42 -3.862 5.223 -4.558 349 1HG GLU 42 1HG GLU 42 -3.666 6.425 -2.281 350 2HG GLU 42 2HG GLU 42 -1.950 6.529 -2.670 351 H THR 43 H THR 43 -3.958 4.349 -0.571 352 HA THR 43 HA THR 43 -6.802 3.802 -1.081 353 HB THR 43 HB THR 43 -6.883 3.707 1.482 354 HG1 THR 43 HG1 THR 43 -4.939 4.621 2.004 355 1HG2 THR 43 1HG2 THR 43 -5.825 1.730 -0.373 356 2HG2 THR 43 2HG2 THR 43 -5.323 1.475 1.299 357 3HG2 THR 43 3HG2 THR 43 -7.038 1.567 0.899 358 H ARG 44 H ARG 44 -8.281 5.064 0.500 359 HA ARG 44 HA ARG 44 -8.152 7.789 -0.200 360 1HB ARG 44 1HB ARG 44 -9.968 6.033 1.221 361 2HB ARG 44 2HB ARG 44 -9.867 7.605 2.000 362 1HG ARG 44 1HG ARG 44 -10.495 8.713 -0.041 363 2HG ARG 44 2HG ARG 44 -10.463 7.183 -0.919 364 1HD ARG 44 1HD ARG 44 -12.162 7.104 1.444 365 2HD ARG 44 2HD ARG 44 -12.667 8.324 0.276 366 HE ARG 44 HE ARG 44 -12.126 5.800 -0.949 367 1HH1 ARG 44 1HH1 ARG 44 -14.510 7.622 0.818 368 2HH1 ARG 44 2HH1 ARG 44 -15.852 6.725 0.190 369 1HH2 ARG 44 1HH2 ARG 44 -13.884 4.613 -1.785 370 2HH2 ARG 44 2HH2 ARG 44 -15.496 5.012 -1.291 371 H GLN 45 H GLN 45 -6.559 6.072 2.227 372 HA GLN 45 HA GLN 45 -6.190 8.478 3.874 373 1HB GLN 45 1HB GLN 45 -5.612 5.570 4.461 374 2HB GLN 45 2HB GLN 45 -5.210 6.896 5.545 375 1HG GLN 45 1HG GLN 45 -7.603 7.480 5.664 376 2HG GLN 45 2HG GLN 45 -7.967 6.077 4.660 377 1HE2 GLN 45 2HE2 GLN 45 -8.833 4.557 5.868 378 2HE2 GLN 45 1HE2 GLN 45 -8.293 4.067 7.434 379 H HIS 46 H HIS 46 -4.885 7.660 1.231 380 HA HIS 46 HA HIS 46 -2.858 7.897 0.231 381 1HB HIS 46 1HB HIS 46 -2.112 9.169 2.874 382 2HB HIS 46 2HB HIS 46 -1.150 9.253 1.402 383 HD1 HIS 46 HD1 HIS 46 -1.813 10.976 -0.332 384 HD2 HIS 46 HD2 HIS 46 -4.538 10.672 2.791 385 HE1 HIS 46 HE1 HIS 46 -3.386 12.918 -0.622 386 HE2 HIS 46 HE2 HIS 46 -5.076 12.664 1.230 387 H ARG 47 H ARG 47 -3.349 5.401 1.211 388 HA ARG 47 HA ARG 47 -0.846 4.563 2.500 389 1HB ARG 47 1HB ARG 47 -3.383 3.894 3.172 390 2HB ARG 47 2HB ARG 47 -2.997 2.580 2.072 391 1HG ARG 47 1HG ARG 47 -0.837 3.026 3.917 392 2HG ARG 47 2HG ARG 47 -2.359 2.769 4.770 393 1HD ARG 47 1HD ARG 47 -2.637 0.645 3.919 394 2HD ARG 47 2HD ARG 47 -1.618 0.960 2.514 395 HE ARG 47 HE ARG 47 -0.777 -0.021 5.065 396 1HH1 ARG 47 1HH1 ARG 47 0.216 1.834 2.290 397 2HH1 ARG 47 2HH1 ARG 47 1.904 1.510 2.517 398 1HH2 ARG 47 1HH2 ARG 47 1.441 -0.452 5.374 399 2HH2 ARG 47 2HH2 ARG 47 2.600 0.211 4.271 400 H LEU 48 H LEU 48 0.658 3.542 1.360 401 HA LEU 48 HA LEU 48 -0.048 2.586 -1.332 402 1HB LEU 48 1HB LEU 48 2.676 3.324 -0.261 403 2HB LEU 48 2HB LEU 48 2.287 2.895 -1.918 404 HG LEU 48 HG LEU 48 1.414 5.379 -0.442 405 1HD1 LEU 48 1HD1 LEU 48 3.391 4.807 -2.618 406 2HD1 LEU 48 2HD1 LEU 48 2.659 6.402 -2.444 407 3HD1 LEU 48 3HD1 LEU 48 3.609 5.720 -1.125 408 1HD2 LEU 48 1HD2 LEU 48 0.212 4.019 -2.678 409 2HD2 LEU 48 2HD2 LEU 48 -0.330 5.460 -1.817 410 3HD2 LEU 48 3HD2 LEU 48 0.805 5.609 -3.158 411 H PHE 49 H PHE 49 -0.353 0.466 -1.389 412 HA PHE 49 HA PHE 49 1.297 -1.256 0.332 413 1HB PHE 49 1HB PHE 49 -1.487 -1.446 -0.697 414 2HB PHE 49 2HB PHE 49 -0.591 -2.949 -0.502 415 HD1 PHE 49 HD1 PHE 49 0.924 -2.648 1.887 416 HD2 PHE 49 HD2 PHE 49 -2.992 -1.205 1.015 417 HE1 PHE 49 HE1 PHE 49 0.387 -2.659 4.294 418 HE2 PHE 49 HE2 PHE 49 -3.535 -1.209 3.417 419 HZ PHE 49 HZ PHE 49 -1.845 -1.940 5.060 420 H CYS 50 H CYS 50 2.616 -2.759 -0.521 421 HA CYS 50 HA CYS 50 2.931 -2.776 -3.419 422 1HB CYS 50 1HB CYS 50 4.641 -3.511 -1.093 423 2HB CYS 50 2HB CYS 50 4.926 -4.359 -2.610 424 H ALA 51 H ALA 51 1.085 -3.982 -3.978 425 HA ALA 51 HA ALA 51 1.042 -6.779 -3.078 426 1HB ALA 51 1HB ALA 51 -1.002 -5.271 -2.870 427 2HB ALA 51 2HB ALA 51 -1.135 -5.405 -4.622 428 3HB ALA 51 3HB ALA 51 -1.241 -6.851 -3.619 429 H ASP 52 H ASP 52 1.472 -8.408 -4.428 430 HA ASP 52 HA ASP 52 2.609 -7.918 -6.973 431 1HB ASP 52 1HB ASP 52 3.082 -9.874 -5.398 432 2HB ASP 52 2HB ASP 52 1.593 -10.591 -6.009 433 HA PRO 53 HA PRO 53 -0.862 -7.652 -9.671 434 1HB PRO 53 1HB PRO 53 0.755 -9.362 -11.492 435 2HB PRO 53 2HB PRO 53 0.007 -7.789 -11.793 436 1HG PRO 53 1HG PRO 53 2.641 -8.005 -11.427 437 2HG PRO 53 2HG PRO 53 1.734 -6.624 -10.782 438 1HD PRO 53 1HD PRO 53 2.820 -9.013 -9.360 439 2HD PRO 53 2HD PRO 53 2.691 -7.330 -8.808 440 H LYS 54 H LYS 54 0.530 -10.670 -8.703 441 HA LYS 54 HA LYS 54 -1.515 -12.313 -9.891 442 1HB LYS 54 1HB LYS 54 -0.413 -14.161 -8.863 443 2HB LYS 54 2HB LYS 54 0.838 -13.079 -9.458 444 1HG LYS 54 1HG LYS 54 1.056 -12.157 -7.166 445 2HG LYS 54 2HG LYS 54 -0.091 -13.378 -6.612 446 1HD LYS 54 1HD LYS 54 2.486 -14.023 -8.036 447 2HD LYS 54 2HD LYS 54 2.324 -13.968 -6.279 448 1HE LYS 54 1HE LYS 54 0.586 -15.694 -8.025 449 2HE LYS 54 2HE LYS 54 2.122 -16.252 -7.363 450 1HZ LYS 54 1HZ LYS 54 0.873 -15.252 -5.192 451 2HZ LYS 54 2HZ LYS 54 -0.423 -15.906 -6.060 452 3HZ LYS 54 3HZ LYS 54 0.887 -16.886 -5.631 453 H GLU 55 H GLU 55 -1.359 -10.341 -7.183 454 HA GLU 55 HA GLU 55 -2.920 -11.883 -5.364 455 1HB GLU 55 1HB GLU 55 -2.424 -8.903 -5.499 456 2HB GLU 55 2HB GLU 55 -3.201 -9.730 -4.156 457 1HG GLU 55 1HG GLU 55 -0.993 -11.150 -4.175 458 2HG GLU 55 2HG GLU 55 -0.348 -9.726 -4.989 459 H GLN 56 H GLN 56 -5.067 -12.118 -5.217 460 HA GLN 56 HA GLN 56 -6.776 -11.485 -7.317 461 1HB GLN 56 1HB GLN 56 -7.155 -13.243 -5.575 462 2HB GLN 56 2HB GLN 56 -7.598 -11.967 -4.450 463 1HG GLN 56 1HG GLN 56 -9.013 -12.615 -7.027 464 2HG GLN 56 2HG GLN 56 -9.559 -13.045 -5.407 465 1HE2 GLN 56 2HE2 GLN 56 -9.392 -10.609 -7.802 466 2HE2 GLN 56 1HE2 GLN 56 -10.247 -9.380 -6.941 467 H TRP 57 H TRP 57 -6.734 -9.985 -4.074 468 HA TRP 57 HA TRP 57 -8.602 -8.006 -4.566 469 1HB TRP 57 1HB TRP 57 -7.895 -6.977 -2.589 470 2HB TRP 57 2HB TRP 57 -7.474 -8.669 -2.356 471 HD1 TRP 57 HD1 TRP 57 -4.726 -9.157 -3.199 472 HE1 TRP 57 HE1 TRP 57 -2.679 -7.781 -2.460 473 HE3 TRP 57 HE3 TRP 57 -7.106 -4.847 -1.807 474 HZ2 TRP 57 HZ2 TRP 57 -2.146 -5.203 -1.416 475 HZ3 TRP 57 HZ3 TRP 57 -5.756 -2.972 -0.949 476 HH2 TRP 57 HH2 TRP 57 -3.325 -3.147 -0.756 477 H VAL 58 H VAL 58 -5.466 -8.285 -5.873 478 HA VAL 58 HA VAL 58 -5.181 -5.441 -6.399 479 HB VAL 58 HB VAL 58 -3.483 -7.807 -7.196 480 1HG1 VAL 58 1HG1 VAL 58 -3.380 -4.952 -8.006 481 2HG1 VAL 58 2HG1 VAL 58 -1.856 -5.781 -7.688 482 3HG1 VAL 58 3HG1 VAL 58 -2.959 -6.402 -8.916 483 1HG2 VAL 58 1HG2 VAL 58 -3.460 -7.167 -4.803 484 2HG2 VAL 58 2HG2 VAL 58 -1.898 -6.953 -5.593 485 3HG2 VAL 58 3HG2 VAL 58 -2.922 -5.554 -5.272 486 H LYS 59 H LYS 59 -5.801 -8.434 -8.191 487 HA LYS 59 HA LYS 59 -5.879 -7.320 -10.767 488 1HB LYS 59 1HB LYS 59 -7.317 -9.720 -9.624 489 2HB LYS 59 2HB LYS 59 -7.267 -9.329 -11.335 490 1HG LYS 59 1HG LYS 59 -5.056 -9.896 -11.546 491 2HG LYS 59 2HG LYS 59 -4.711 -9.610 -9.838 492 1HD LYS 59 1HD LYS 59 -5.915 -11.608 -9.219 493 2HD LYS 59 2HD LYS 59 -6.403 -11.871 -10.892 494 1HE LYS 59 1HE LYS 59 -3.840 -11.862 -11.354 495 2HE LYS 59 2HE LYS 59 -3.714 -12.199 -9.629 496 1HZ LYS 59 1HZ LYS 59 -5.655 -13.888 -10.769 497 2HZ LYS 59 2HZ LYS 59 -4.234 -14.000 -11.681 498 3HZ LYS 59 3HZ LYS 59 -4.200 -14.308 -10.017 499 H ASP 60 H ASP 60 -8.511 -8.029 -8.480 500 HA ASP 60 HA ASP 60 -10.531 -6.839 -10.082 501 1HB ASP 60 1HB ASP 60 -11.144 -8.496 -8.435 502 2HB ASP 60 2HB ASP 60 -10.463 -7.520 -7.135 503 H ALA 61 H ALA 61 -8.672 -5.710 -7.262 504 HA ALA 61 HA ALA 61 -9.882 -3.294 -6.799 505 1HB ALA 61 1HB ALA 61 -7.016 -4.146 -6.601 506 2HB ALA 61 2HB ALA 61 -7.505 -2.500 -6.198 507 3HB ALA 61 3HB ALA 61 -8.185 -3.865 -5.311 508 H MET 62 H MET 62 -7.618 -4.144 -9.355 509 HA MET 62 HA MET 62 -7.336 -1.468 -10.329 510 1HB MET 62 1HB MET 62 -6.468 -4.172 -11.230 511 2HB MET 62 2HB MET 62 -6.499 -2.878 -12.421 512 1HG MET 62 1HG MET 62 -5.184 -1.603 -10.505 513 2HG MET 62 2HG MET 62 -4.748 -3.253 -10.063 514 1HE MET 62 1HE MET 62 -3.290 -4.735 -11.192 515 2HE MET 62 2HE MET 62 -4.166 -4.913 -12.712 516 3HE MET 62 3HE MET 62 -2.453 -4.495 -12.725 517 H GLN 63 H GLN 63 -8.843 -4.353 -11.803 518 HA GLN 63 HA GLN 63 -10.092 -3.183 -13.925 519 1HB GLN 63 1HB GLN 63 -10.450 -5.595 -12.384 520 2HB GLN 63 2HB GLN 63 -12.014 -4.956 -12.872 521 1HG GLN 63 1HG GLN 63 -11.733 -5.667 -14.948 522 2HG GLN 63 2HG GLN 63 -10.162 -4.873 -15.069 523 1HE2 GLN 63 2HE2 GLN 63 -8.726 -6.215 -13.167 524 2HE2 GLN 63 1HE2 GLN 63 -8.546 -7.869 -13.632 525 H HIS 64 H HIS 64 -10.847 -2.872 -10.565 526 HA HIS 64 HA HIS 64 -13.456 -1.761 -10.919 527 1HB HIS 64 1HB HIS 64 -12.737 -2.917 -8.837 528 2HB HIS 64 2HB HIS 64 -11.631 -1.584 -8.517 529 HD1 HIS 64 HD1 HIS 64 -15.366 -2.086 -9.048 530 HD2 HIS 64 HD2 HIS 64 -12.717 0.362 -6.985 531 HE1 HIS 64 HE1 HIS 64 -16.802 -0.584 -7.633 532 HE2 HIS 64 HE2 HIS 64 -15.181 0.937 -6.447 533 H LEU 65 H LEU 65 -10.381 -0.348 -9.816 534 HA LEU 65 HA LEU 65 -11.171 2.311 -9.818 535 1HB LEU 65 1HB LEU 65 -8.501 0.997 -10.237 536 2HB LEU 65 2HB LEU 65 -8.670 2.741 -10.257 537 HG LEU 65 HG LEU 65 -9.160 0.868 -7.952 538 1HD1 LEU 65 1HD1 LEU 65 -6.914 2.263 -8.794 539 2HD1 LEU 65 2HD1 LEU 65 -7.579 3.241 -7.484 540 3HD1 LEU 65 3HD1 LEU 65 -7.180 1.546 -7.205 541 1HD2 LEU 65 1HD2 LEU 65 -10.311 3.511 -8.500 542 2HD2 LEU 65 2HD2 LEU 65 -10.841 2.247 -7.390 543 3HD2 LEU 65 3HD2 LEU 65 -9.545 3.346 -6.920 544 H ASP 66 H ASP 66 -9.987 0.310 -12.463 545 HA ASP 66 HA ASP 66 -9.561 2.305 -14.371 546 1HB ASP 66 1HB ASP 66 -10.374 -0.588 -14.640 547 2HB ASP 66 2HB ASP 66 -10.053 0.436 -16.036 548 H ARG 67 H ARG 67 -12.483 1.047 -13.063 549 HA ARG 67 HA ARG 67 -14.104 2.095 -15.249 550 1HB ARG 67 1HB ARG 67 -14.413 0.000 -13.375 551 2HB ARG 67 2HB ARG 67 -15.666 1.183 -13.021 552 1HG ARG 67 1HG ARG 67 -16.868 0.468 -14.732 553 2HG ARG 67 2HG ARG 67 -15.533 0.796 -15.843 554 1HD ARG 67 1HD ARG 67 -14.719 -1.507 -14.606 555 2HD ARG 67 2HD ARG 67 -16.463 -1.735 -14.714 556 HE ARG 67 HE ARG 67 -14.579 -1.742 -16.878 557 1HH1 ARG 67 1HH1 ARG 67 -17.897 -1.185 -15.987 558 2HH1 ARG 67 2HH1 ARG 67 -18.514 -1.508 -17.572 559 1HH2 ARG 67 1HH2 ARG 67 -15.378 -2.169 -18.972 560 2HH2 ARG 67 2HH2 ARG 67 -17.082 -2.068 -19.269 561 H GLN 68 H GLN 68 -12.851 3.103 -12.270 562 HA GLN 68 HA GLN 68 -14.980 4.993 -11.699 563 1HB GLN 68 1HB GLN 68 -12.651 3.925 -10.287 564 2HB GLN 68 2HB GLN 68 -12.862 5.655 -10.056 565 1HG GLN 68 1HG GLN 68 -13.979 4.453 -8.300 566 2HG GLN 68 2HG GLN 68 -15.169 5.260 -9.321 567 1HE2 GLN 68 2HE2 GLN 68 -13.410 2.250 -9.877 568 2HE2 GLN 68 1HE2 GLN 68 -14.809 1.240 -9.957 569 H ALA 69 H ALA 69 -12.168 4.878 -13.581 570 HA ALA 69 HA ALA 69 -11.414 7.629 -13.400 571 1HB ALA 69 1HB ALA 69 -10.664 5.332 -15.144 572 2HB ALA 69 2HB ALA 69 -10.242 6.968 -15.653 573 3HB ALA 69 3HB ALA 69 -9.653 6.342 -14.113 574 H ALA 70 H ALA 70 -13.124 5.720 -15.877 575 HA ALA 70 HA ALA 70 -13.672 7.827 -17.628 576 1HB ALA 70 1HB ALA 70 -14.308 5.081 -17.442 577 2HB ALA 70 2HB ALA 70 -15.818 5.954 -17.706 578 3HB ALA 70 3HB ALA 70 -14.478 6.150 -18.835 579 H ALA 71 H ALA 71 -15.132 6.946 -14.620 580 HA ALA 71 HA ALA 71 -17.644 8.158 -14.928 581 1HB ALA 71 1HB ALA 71 -16.066 7.066 -12.742 582 2HB ALA 71 2HB ALA 71 -17.077 8.426 -12.251 583 3HB ALA 71 3HB ALA 71 -17.806 7.016 -13.019 584 H LEU 72 H LEU 72 -14.586 9.540 -14.832 585 HA LEU 72 HA LEU 72 -15.058 11.929 -13.421 586 1HB LEU 72 1HB LEU 72 -13.098 11.076 -15.511 587 2HB LEU 72 2HB LEU 72 -13.193 12.768 -15.064 588 HG LEU 72 HG LEU 72 -11.493 11.132 -13.888 589 1HD1 LEU 72 1HD1 LEU 72 -12.696 13.601 -13.245 590 2HD1 LEU 72 2HD1 LEU 72 -12.571 12.677 -11.748 591 3HD1 LEU 72 3HD1 LEU 72 -11.130 12.980 -12.720 592 1HD2 LEU 72 1HD2 LEU 72 -14.070 10.675 -12.407 593 2HD2 LEU 72 2HD2 LEU 72 -12.990 9.471 -13.108 594 3HD2 LEU 72 3HD2 LEU 72 -12.482 10.393 -11.694 595 H THR 73 H THR 73 -14.707 11.662 -16.958 596 HA THR 73 HA THR 73 -17.028 13.418 -17.285 597 HB THR 73 HB THR 73 -15.335 15.034 -17.402 598 HG1 THR 73 HG1 THR 73 -16.642 14.479 -19.529 599 1HG2 THR 73 1HG2 THR 73 -13.424 13.444 -17.451 600 2HG2 THR 73 2HG2 THR 73 -13.684 13.269 -19.186 601 3HG2 THR 73 3HG2 THR 73 -13.243 14.839 -18.517 602 H ARG 74 H ARG 74 -16.117 10.532 -17.833 603 HA ARG 74 HA ARG 74 -16.344 8.942 -19.454 604 1HB ARG 74 1HB ARG 74 -18.658 10.513 -19.372 605 2HB ARG 74 2HB ARG 74 -18.302 10.321 -21.083 606 1HG ARG 74 1HG ARG 74 -18.564 8.067 -19.102 607 2HG ARG 74 2HG ARG 74 -19.819 8.592 -20.229 608 1HD ARG 74 1HD ARG 74 -18.935 7.345 -21.840 609 2HD ARG 74 2HD ARG 74 -17.386 8.169 -21.664 610 HE ARG 74 HE ARG 74 -17.924 6.084 -19.725 611 1HH1 ARG 74 1HH1 ARG 74 -16.471 6.938 -22.773 612 2HH1 ARG 74 2HH1 ARG 74 -15.382 5.592 -22.778 613 1HH2 ARG 74 1HH2 ARG 74 -16.492 4.309 -19.721 614 2HH2 ARG 74 2HH2 ARG 74 -15.392 4.098 -21.043 615 H ASN 75 H ASN 75 -14.413 11.108 -19.955 616 HA ASN 75 HA ASN 75 -14.200 10.753 -22.863 617 1HB ASN 75 1HB ASN 75 -14.454 13.262 -21.400 618 2HB ASN 75 2HB ASN 75 -12.995 13.210 -22.388 619 1HD2 ASN 75 2HD2 ASN 75 -13.517 14.509 -24.029 620 2HD2 ASN 75 1HD2 ASN 75 -14.863 14.278 -25.085 621 H GLY 76 H GLY 76 -12.693 9.090 -22.471 622 1HA GLY 76 1HA GLY 76 -10.449 9.273 -20.809 623 2HA GLY 76 2HA GLY 76 -10.583 8.226 -22.213 Start of MODEL 15 1 2H MET 0 2H MET 0 23.168 -0.847 -0.504 2 3H MET 0 3H MET 0 23.218 0.439 0.627 3 1H MET 0 1H MET 0 24.322 -0.868 0.766 4 HA MET 0 HA MET 0 21.562 -0.651 1.553 5 1HB MET 0 1HB MET 0 22.338 -2.547 -0.391 6 2HB MET 0 2HB MET 0 22.214 -3.423 1.128 7 1HG MET 0 1HG MET 0 19.952 -1.819 1.065 8 2HG MET 0 2HG MET 0 20.136 -2.400 -0.590 9 1HE MET 0 1HE MET 0 18.772 -3.068 2.816 10 2HE MET 0 2HE MET 0 18.959 -4.797 3.104 11 3HE MET 0 3HE MET 0 20.367 -3.736 3.163 12 H GLN 1 H GLN 1 23.376 0.198 3.136 13 HA GLN 1 HA GLN 1 24.391 -2.033 4.754 14 1HB GLN 1 1HB GLN 1 25.453 0.529 4.029 15 2HB GLN 1 2HB GLN 1 25.308 0.440 5.779 16 1HG GLN 1 1HG GLN 1 26.733 -1.563 4.042 17 2HG GLN 1 2HG GLN 1 27.504 -0.289 4.987 18 1HE2 GLN 1 2HE2 GLN 1 28.685 -1.767 6.194 19 2HE2 GLN 1 1HE2 GLN 1 27.959 -2.755 7.409 20 H HIS 2 H HIS 2 21.644 -0.449 4.599 21 HA HIS 2 HA HIS 2 21.123 -0.728 7.435 22 1HB HIS 2 1HB HIS 2 21.528 1.863 6.202 23 2HB HIS 2 2HB HIS 2 19.900 1.725 6.857 24 HD1 HIS 2 HD1 HIS 2 20.008 0.613 9.470 25 HD2 HIS 2 HD2 HIS 2 23.236 2.815 8.054 26 HE1 HIS 2 HE1 HIS 2 21.274 1.341 11.516 27 HE2 HIS 2 HE2 HIS 2 23.267 2.603 10.631 28 H HIS 3 H HIS 3 18.860 -0.763 7.941 29 HA HIS 3 HA HIS 3 17.298 -2.013 5.927 30 1HB HIS 3 1HB HIS 3 16.175 -0.900 8.489 31 2HB HIS 3 2HB HIS 3 15.655 -2.321 7.588 32 HD1 HIS 3 HD1 HIS 3 18.298 -1.158 9.984 33 HD2 HIS 3 HD2 HIS 3 17.016 -4.671 8.174 34 HE1 HIS 3 HE1 HIS 3 19.511 -3.010 11.176 35 HE2 HIS 3 HE2 HIS 3 18.779 -5.121 10.012 36 H GLY 4 H GLY 4 16.908 -0.672 4.203 37 1HA GLY 4 1HA GLY 4 14.886 0.674 3.533 38 2HA GLY 4 2HA GLY 4 15.391 1.790 4.789 39 H VAL 5 H VAL 5 17.787 0.236 2.844 40 HA VAL 5 HA VAL 5 18.242 2.787 1.437 41 HB VAL 5 HB VAL 5 20.380 0.746 2.012 42 1HG1 VAL 5 1HG1 VAL 5 20.431 3.652 1.216 43 2HG1 VAL 5 2HG1 VAL 5 21.856 2.721 1.676 44 3HG1 VAL 5 3HG1 VAL 5 20.933 2.269 0.243 45 1HG2 VAL 5 1HG2 VAL 5 19.066 2.069 3.995 46 2HG2 VAL 5 2HG2 VAL 5 20.740 1.517 4.087 47 3HG2 VAL 5 3HG2 VAL 5 20.384 3.185 3.635 48 H THR 6 H THR 6 16.830 2.031 -0.266 49 HA THR 6 HA THR 6 18.196 0.141 -2.064 50 HB THR 6 HB THR 6 15.557 -0.059 -2.796 51 HG1 THR 6 HG1 THR 6 14.523 -0.522 -0.744 52 1HG2 THR 6 1HG2 THR 6 17.492 -1.749 -1.471 53 2HG2 THR 6 2HG2 THR 6 15.838 -2.106 -0.970 54 3HG2 THR 6 3HG2 THR 6 16.273 -2.152 -2.680 55 H LYS 7 H LYS 7 17.136 3.256 -1.620 56 HA LYS 7 HA LYS 7 17.051 5.068 -2.993 57 1HB LYS 7 1HB LYS 7 18.661 3.179 -4.415 58 2HB LYS 7 2HB LYS 7 17.623 4.010 -5.566 59 1HG LYS 7 1HG LYS 7 18.643 5.983 -3.841 60 2HG LYS 7 2HG LYS 7 19.995 4.935 -4.277 61 1HD LYS 7 1HD LYS 7 19.731 5.360 -6.565 62 2HD LYS 7 2HD LYS 7 18.094 5.984 -6.351 63 1HE LYS 7 1HE LYS 7 20.003 7.507 -4.811 64 2HE LYS 7 2HE LYS 7 20.457 7.459 -6.514 65 1HZ LYS 7 1HZ LYS 7 18.111 8.138 -7.003 66 2HZ LYS 7 2HZ LYS 7 17.912 8.428 -5.347 67 3HZ LYS 7 3HZ LYS 7 19.050 9.313 -6.232 68 H CYS 8 H CYS 8 14.705 3.817 -2.451 69 HA CYS 8 HA CYS 8 13.093 4.616 -4.686 70 1HB CYS 8 1HB CYS 8 13.832 2.150 -5.075 71 2HB CYS 8 2HB CYS 8 12.674 1.776 -3.804 72 H ASN 9 H ASN 9 12.048 6.025 -3.362 73 HA ASN 9 HA ASN 9 11.289 5.983 -0.817 74 1HB ASN 9 1HB ASN 9 8.960 6.916 -1.769 75 2HB ASN 9 2HB ASN 9 10.450 7.855 -1.813 76 1HD2 ASN 9 2HD2 ASN 9 8.656 5.468 -3.723 77 2HD2 ASN 9 1HD2 ASN 9 9.016 6.171 -5.259 78 H ILE 10 H ILE 10 9.862 3.984 -3.318 79 HA ILE 10 HA ILE 10 8.479 2.457 -1.222 80 HB ILE 10 HB ILE 10 6.907 3.983 -2.527 81 1HG1 ILE 10 1HG1 ILE 10 6.071 1.144 -2.902 82 2HG1 ILE 10 2HG1 ILE 10 6.487 1.673 -1.275 83 1HG2 ILE 10 1HG2 ILE 10 8.005 3.489 -4.730 84 2HG2 ILE 10 2HG2 ILE 10 7.251 1.895 -4.670 85 3HG2 ILE 10 3HG2 ILE 10 6.248 3.344 -4.723 86 1HD1 ILE 10 1HD1 ILE 10 4.492 3.105 -2.997 87 2HD1 ILE 10 2HD1 ILE 10 4.062 1.804 -1.886 88 3HD1 ILE 10 3HD1 ILE 10 4.775 3.293 -1.266 89 H THR 11 H THR 11 9.177 0.431 -1.247 90 HA THR 11 HA THR 11 9.934 -0.767 -3.830 91 HB THR 11 HB THR 11 11.891 -0.285 -2.366 92 HG1 THR 11 HG1 THR 11 11.452 -3.068 -2.594 93 1HG2 THR 11 1HG2 THR 11 10.298 -1.794 -0.421 94 2HG2 THR 11 2HG2 THR 11 11.998 -2.254 -0.530 95 3HG2 THR 11 3HG2 THR 11 11.556 -0.584 -0.174 96 H CYS 12 H CYS 12 9.562 -3.025 -4.066 97 HA CYS 12 HA CYS 12 7.315 -3.963 -2.439 98 1HB CYS 12 1HB CYS 12 8.358 -4.922 -5.112 99 2HB CYS 12 2HB CYS 12 6.968 -5.601 -4.274 100 H SER 13 H SER 13 9.183 -4.287 -0.794 101 HA SER 13 HA SER 13 10.863 -6.572 -1.174 102 1HB SER 13 1HB SER 13 10.746 -6.115 1.563 103 2HB SER 13 2HB SER 13 11.929 -5.433 0.445 104 HG SER 13 HG SER 13 10.971 -3.553 0.570 105 H LYS 14 H LYS 14 7.657 -6.036 0.000 106 HA LYS 14 HA LYS 14 7.313 -8.905 0.350 107 1HB LYS 14 1HB LYS 14 7.735 -7.315 2.577 108 2HB LYS 14 2HB LYS 14 5.982 -7.438 2.496 109 1HG LYS 14 1HG LYS 14 6.798 -9.189 3.894 110 2HG LYS 14 2HG LYS 14 6.217 -9.908 2.390 111 1HD LYS 14 1HD LYS 14 8.691 -9.680 1.630 112 2HD LYS 14 2HD LYS 14 9.027 -9.544 3.357 113 1HE LYS 14 1HE LYS 14 9.264 -11.829 2.869 114 2HE LYS 14 2HE LYS 14 7.676 -11.686 3.622 115 1HZ LYS 14 1HZ LYS 14 7.681 -11.421 0.743 116 2HZ LYS 14 2HZ LYS 14 8.144 -12.947 1.308 117 3HZ LYS 14 3HZ LYS 14 6.644 -12.303 1.750 118 H MET 15 H MET 15 4.786 -9.040 1.267 119 HA MET 15 HA MET 15 3.221 -7.371 -0.587 120 1HB MET 15 1HB MET 15 2.495 -10.220 0.047 121 2HB MET 15 2HB MET 15 1.927 -9.213 -1.277 122 1HG MET 15 1HG MET 15 4.814 -9.653 -1.276 123 2HG MET 15 2HG MET 15 3.856 -11.122 -1.460 124 1HE MET 15 1HE MET 15 5.524 -8.330 -2.934 125 2HE MET 15 2HE MET 15 5.880 -9.736 -3.937 126 3HE MET 15 3HE MET 15 5.062 -8.339 -4.636 127 H THR 16 H THR 16 1.134 -6.801 0.063 128 HA THR 16 HA THR 16 0.755 -6.803 2.947 129 HB THR 16 HB THR 16 0.486 -4.748 1.465 130 HG1 THR 16 HG1 THR 16 -0.601 -5.328 3.657 131 1HG2 THR 16 1HG2 THR 16 -1.903 -6.305 0.596 132 2HG2 THR 16 2HG2 THR 16 -1.979 -4.546 0.701 133 3HG2 THR 16 3HG2 THR 16 -0.796 -5.317 -0.355 134 H SER 17 H SER 17 -1.946 -6.662 3.230 135 HA SER 17 HA SER 17 -2.770 -9.390 2.516 136 1HB SER 17 1HB SER 17 -2.834 -7.955 4.962 137 2HB SER 17 2HB SER 17 -4.507 -8.201 4.460 138 HG SER 17 HG SER 17 -2.753 -10.365 4.272 139 H LYS 18 H LYS 18 -5.391 -9.423 2.708 140 HA LYS 18 HA LYS 18 -6.284 -8.165 0.339 141 1HB LYS 18 1HB LYS 18 -7.356 -10.181 0.854 142 2HB LYS 18 2HB LYS 18 -7.645 -9.710 2.523 143 1HG LYS 18 1HG LYS 18 -9.598 -8.757 2.035 144 2HG LYS 18 2HG LYS 18 -8.953 -7.959 0.598 145 1HD LYS 18 1HD LYS 18 -9.190 -10.008 -0.680 146 2HD LYS 18 2HD LYS 18 -9.746 -10.867 0.758 147 1HE LYS 18 1HE LYS 18 -11.337 -8.524 0.390 148 2HE LYS 18 2HE LYS 18 -11.285 -9.430 -1.122 149 1HZ LYS 18 1HZ LYS 18 -11.954 -11.416 0.136 150 2HZ LYS 18 2HZ LYS 18 -12.100 -10.476 1.536 151 3HZ LYS 18 3HZ LYS 18 -13.113 -10.187 0.212 152 H ILE 19 H ILE 19 -6.992 -6.168 0.025 153 HA ILE 19 HA ILE 19 -8.078 -4.678 2.324 154 HB ILE 19 HB ILE 19 -6.447 -3.534 0.055 155 1HG1 ILE 19 1HG1 ILE 19 -5.629 -3.551 2.944 156 2HG1 ILE 19 2HG1 ILE 19 -5.313 -4.956 1.929 157 1HG2 ILE 19 1HG2 ILE 19 -8.301 -2.130 1.130 158 2HG2 ILE 19 2HG2 ILE 19 -7.265 -2.101 2.556 159 3HG2 ILE 19 3HG2 ILE 19 -6.686 -1.430 1.032 160 1HD1 ILE 19 1HD1 ILE 19 -4.052 -3.522 0.383 161 2HD1 ILE 19 2HD1 ILE 19 -4.321 -2.155 1.465 162 3HD1 ILE 19 3HD1 ILE 19 -3.373 -3.537 2.012 163 HA PRO 20 HA PRO 20 -11.785 -4.251 -0.046 164 1HB PRO 20 1HB PRO 20 -12.068 -1.671 1.377 165 2HB PRO 20 2HB PRO 20 -13.165 -3.049 1.325 166 1HG PRO 20 1HG PRO 20 -11.721 -2.493 3.502 167 2HG PRO 20 2HG PRO 20 -12.049 -4.156 3.001 168 1HD PRO 20 1HD PRO 20 -9.550 -2.552 2.713 169 2HD PRO 20 2HD PRO 20 -9.746 -4.278 3.079 170 H VAL 21 H VAL 21 -12.308 -3.350 -1.961 171 HA VAL 21 HA VAL 21 -10.483 -1.592 -3.248 172 HB VAL 21 HB VAL 21 -13.209 -1.860 -4.381 173 1HG1 VAL 21 1HG1 VAL 21 -11.200 -0.808 -5.499 174 2HG1 VAL 21 2HG1 VAL 21 -10.538 -2.437 -5.634 175 3HG1 VAL 21 3HG1 VAL 21 -12.057 -2.035 -6.434 176 1HG2 VAL 21 1HG2 VAL 21 -11.386 -4.201 -3.915 177 2HG2 VAL 21 2HG2 VAL 21 -13.096 -4.046 -3.515 178 3HG2 VAL 21 3HG2 VAL 21 -12.593 -4.180 -5.200 179 H ALA 22 H ALA 22 -13.368 -1.138 -1.403 180 HA ALA 22 HA ALA 22 -14.115 1.410 -2.355 181 1HB ALA 22 1HB ALA 22 -14.831 -0.328 -0.120 182 2HB ALA 22 2HB ALA 22 -14.959 1.393 0.248 183 3HB ALA 22 3HB ALA 22 -15.845 0.714 -1.117 184 H LEU 23 H LEU 23 -11.381 0.449 -0.681 185 HA LEU 23 HA LEU 23 -11.022 3.082 0.571 186 1HB LEU 23 1HB LEU 23 -9.638 0.440 1.002 187 2HB LEU 23 2HB LEU 23 -9.054 1.944 1.690 188 HG LEU 23 HG LEU 23 -10.531 0.359 3.125 189 1HD1 LEU 23 1HD1 LEU 23 -9.753 2.656 3.708 190 2HD1 LEU 23 2HD1 LEU 23 -11.244 3.281 3.002 191 3HD1 LEU 23 3HD1 LEU 23 -11.312 2.215 4.406 192 1HD2 LEU 23 1HD2 LEU 23 -12.300 0.195 1.370 193 2HD2 LEU 23 2HD2 LEU 23 -12.888 0.681 2.958 194 3HD2 LEU 23 3HD2 LEU 23 -12.690 1.885 1.684 195 H LEU 24 H LEU 24 -9.995 1.108 -2.031 196 HA LEU 24 HA LEU 24 -7.468 2.449 -2.433 197 1HB LEU 24 1HB LEU 24 -8.936 0.683 -4.384 198 2HB LEU 24 2HB LEU 24 -7.227 1.074 -4.376 199 HG LEU 24 HG LEU 24 -8.573 -0.498 -2.181 200 1HD1 LEU 24 1HD1 LEU 24 -7.892 -1.309 -4.851 201 2HD1 LEU 24 2HD1 LEU 24 -6.908 -2.176 -3.672 202 3HD1 LEU 24 3HD1 LEU 24 -8.667 -2.229 -3.563 203 1HD2 LEU 24 1HD2 LEU 24 -5.939 0.612 -2.573 204 2HD2 LEU 24 2HD2 LEU 24 -6.633 -0.160 -1.148 205 3HD2 LEU 24 3HD2 LEU 24 -5.871 -1.142 -2.401 206 H ILE 25 H ILE 25 -7.117 4.231 -3.600 207 HA ILE 25 HA ILE 25 -9.355 5.282 -5.204 208 HB ILE 25 HB ILE 25 -8.583 7.507 -4.769 209 1HG1 ILE 25 1HG1 ILE 25 -6.290 6.239 -3.254 210 2HG1 ILE 25 2HG1 ILE 25 -6.164 7.039 -4.817 211 1HG2 ILE 25 1HG2 ILE 25 -9.967 6.348 -3.043 212 2HG2 ILE 25 2HG2 ILE 25 -8.481 6.020 -2.152 213 3HG2 ILE 25 3HG2 ILE 25 -8.997 7.684 -2.423 214 1HD1 ILE 25 1HD1 ILE 25 -7.218 8.488 -2.425 215 2HD1 ILE 25 2HD1 ILE 25 -5.487 8.337 -2.721 216 3HD1 ILE 25 3HD1 ILE 25 -6.517 9.143 -3.905 217 H HIS 26 H HIS 26 -5.976 4.461 -5.167 218 HA HIS 26 HA HIS 26 -5.880 4.721 -8.051 219 1HB HIS 26 1HB HIS 26 -4.778 6.749 -6.363 220 2HB HIS 26 2HB HIS 26 -3.455 5.905 -7.160 221 HD1 HIS 26 HD1 HIS 26 -3.061 6.409 -9.595 222 HD2 HIS 26 HD2 HIS 26 -6.634 7.991 -8.181 223 HE1 HIS 26 HE1 HIS 26 -3.913 7.895 -11.435 224 HE2 HIS 26 HE2 HIS 26 -6.118 8.774 -10.591 225 H TYR 27 H TYR 27 -4.149 3.581 -9.014 226 HA TYR 27 HA TYR 27 -2.566 1.889 -7.208 227 1HB TYR 27 1HB TYR 27 -3.066 -0.092 -8.410 228 2HB TYR 27 2HB TYR 27 -4.617 0.698 -8.143 229 HD1 TYR 27 HD1 TYR 27 -5.790 1.798 -10.013 230 HD2 TYR 27 HD2 TYR 27 -2.167 -0.365 -10.622 231 HE1 TYR 27 HE1 TYR 27 -6.247 1.728 -12.432 232 HE2 TYR 27 HE2 TYR 27 -2.613 -0.439 -13.044 233 HH TYR 27 HH TYR 27 -4.477 -0.267 -14.581 234 H GLN 28 H GLN 28 -0.520 2.422 -7.592 235 HA GLN 28 HA GLN 28 0.284 3.209 -10.293 236 1HB GLN 28 1HB GLN 28 2.319 3.306 -8.186 237 2HB GLN 28 2HB GLN 28 1.831 4.540 -9.338 238 1HG GLN 28 1HG GLN 28 -0.320 4.522 -7.717 239 2HG GLN 28 2HG GLN 28 0.947 4.073 -6.575 240 1HE2 GLN 28 2HE2 GLN 28 0.136 6.215 -5.724 241 2HE2 GLN 28 1HE2 GLN 28 0.966 7.628 -6.274 242 H GLN 29 H GLN 29 2.962 2.612 -10.245 243 HA GLN 29 HA GLN 29 3.073 -0.312 -9.956 244 1HB GLN 29 1HB GLN 29 2.953 1.074 -12.400 245 2HB GLN 29 2HB GLN 29 4.629 0.576 -12.219 246 1HG GLN 29 1HG GLN 29 3.755 -1.233 -13.298 247 2HG GLN 29 2HG GLN 29 3.569 -1.733 -11.618 248 1HE2 GLN 29 2HE2 GLN 29 2.088 -2.581 -13.972 249 2HE2 GLN 29 1HE2 GLN 29 0.428 -2.218 -13.656 250 H ASN 30 H ASN 30 4.790 -0.966 -8.846 251 HA ASN 30 HA ASN 30 6.694 0.814 -7.800 252 1HB ASN 30 1HB ASN 30 6.282 -1.147 -6.550 253 2HB ASN 30 2HB ASN 30 6.562 -2.191 -7.940 254 1HD2 ASN 30 2HD2 ASN 30 8.274 -3.377 -7.499 255 2HD2 ASN 30 1HD2 ASN 30 9.783 -2.792 -6.895 256 H GLN 31 H GLN 31 8.581 1.547 -8.545 257 HA GLN 31 HA GLN 31 9.370 1.377 -11.176 258 1HB GLN 31 1HB GLN 31 10.511 2.376 -8.698 259 2HB GLN 31 2HB GLN 31 11.752 1.753 -9.776 260 1HG GLN 31 1HG GLN 31 11.461 3.399 -11.289 261 2HG GLN 31 2HG GLN 31 9.725 3.507 -11.001 262 1HE2 GLN 31 2HE2 GLN 31 9.154 5.397 -10.232 263 2HE2 GLN 31 1HE2 GLN 31 10.063 6.375 -9.136 264 H ALA 32 H ALA 32 10.511 -0.016 -12.394 265 HA ALA 32 HA ALA 32 10.940 -2.658 -11.525 266 1HB ALA 32 1HB ALA 32 10.543 -1.982 -13.880 267 2HB ALA 32 2HB ALA 32 12.176 -1.316 -13.925 268 3HB ALA 32 3HB ALA 32 11.937 -3.046 -13.679 269 H SER 33 H SER 33 12.750 0.124 -11.004 270 HA SER 33 HA SER 33 15.289 -1.298 -10.754 271 1HB SER 33 1HB SER 33 16.314 0.709 -11.006 272 2HB SER 33 2HB SER 33 14.748 1.216 -11.640 273 HG SER 33 HG SER 33 14.222 1.979 -9.567 274 H CYS 34 H CYS 34 12.833 -1.514 -8.940 275 HA CYS 34 HA CYS 34 14.304 -1.119 -6.422 276 1HB CYS 34 1HB CYS 34 11.318 -0.878 -6.494 277 2HB CYS 34 2HB CYS 34 12.460 -0.220 -5.328 278 H GLY 35 H GLY 35 12.062 -2.209 -4.891 279 1HA GLY 35 1HA GLY 35 12.774 -4.848 -4.672 280 2HA GLY 35 2HA GLY 35 11.194 -4.231 -4.216 281 H LYS 36 H LYS 36 11.002 -6.680 -4.950 282 HA LYS 36 HA LYS 36 11.022 -7.530 -7.538 283 1HB LYS 36 1HB LYS 36 8.951 -8.081 -5.410 284 2HB LYS 36 2HB LYS 36 9.043 -8.960 -6.930 285 1HG LYS 36 1HG LYS 36 10.191 -10.356 -5.520 286 2HG LYS 36 2HG LYS 36 11.506 -9.400 -6.209 287 1HD LYS 36 1HD LYS 36 11.843 -8.214 -4.265 288 2HD LYS 36 2HD LYS 36 10.191 -8.464 -3.702 289 1HE LYS 36 1HE LYS 36 11.352 -9.863 -2.298 290 2HE LYS 36 2HE LYS 36 10.912 -10.971 -3.597 291 1HZ LYS 36 1HZ LYS 36 13.118 -10.584 -4.573 292 2HZ LYS 36 2HZ LYS 36 13.531 -9.614 -3.250 293 3HZ LYS 36 3HZ LYS 36 13.213 -11.259 -3.025 294 H ARG 37 H ARG 37 9.719 -7.391 -9.325 295 HA ARG 37 HA ARG 37 8.300 -4.994 -9.735 296 1HB ARG 37 1HB ARG 37 7.560 -6.107 -11.873 297 2HB ARG 37 2HB ARG 37 9.299 -6.044 -11.621 298 1HG ARG 37 1HG ARG 37 9.272 -8.370 -10.866 299 2HG ARG 37 2HG ARG 37 7.529 -8.432 -11.134 300 1HD ARG 37 1HD ARG 37 9.052 -9.369 -12.967 301 2HD ARG 37 2HD ARG 37 7.760 -8.271 -13.452 302 HE ARG 37 HE ARG 37 9.358 -6.852 -14.234 303 1HH1 ARG 37 1HH1 ARG 37 10.808 -8.931 -11.845 304 2HH1 ARG 37 2HH1 ARG 37 12.405 -8.306 -12.082 305 1HH2 ARG 37 1HH2 ARG 37 11.458 -6.021 -14.552 306 2HH2 ARG 37 2HH2 ARG 37 12.775 -6.650 -13.621 307 H ALA 38 H ALA 38 6.691 -4.824 -8.153 308 HA ALA 38 HA ALA 38 4.437 -6.701 -8.445 309 1HB ALA 38 1HB ALA 38 5.795 -6.190 -6.162 310 2HB ALA 38 2HB ALA 38 4.498 -5.000 -6.048 311 3HB ALA 38 3HB ALA 38 4.111 -6.712 -6.221 312 H ILE 39 H ILE 39 2.652 -5.021 -6.925 313 HA ILE 39 HA ILE 39 2.224 -2.842 -8.866 314 HB ILE 39 HB ILE 39 0.186 -4.606 -7.513 315 1HG1 ILE 39 1HG1 ILE 39 1.414 -5.303 -9.672 316 2HG1 ILE 39 2HG1 ILE 39 -0.345 -5.393 -9.662 317 1HG2 ILE 39 1HG2 ILE 39 -0.156 -2.002 -8.964 318 2HG2 ILE 39 2HG2 ILE 39 -1.458 -3.186 -8.851 319 3HG2 ILE 39 3HG2 ILE 39 -0.781 -2.474 -7.385 320 1HD1 ILE 39 1HD1 ILE 39 -0.308 -3.088 -10.729 321 2HD1 ILE 39 2HD1 ILE 39 1.412 -3.367 -10.999 322 3HD1 ILE 39 3HD1 ILE 39 0.218 -4.446 -11.723 323 H ILE 40 H ILE 40 1.235 -0.921 -8.083 324 HA ILE 40 HA ILE 40 1.713 -0.478 -5.217 325 HB ILE 40 HB ILE 40 1.353 1.682 -7.277 326 1HG1 ILE 40 1HG1 ILE 40 3.191 0.335 -8.077 327 2HG1 ILE 40 2HG1 ILE 40 3.849 1.801 -7.355 328 1HG2 ILE 40 1HG2 ILE 40 2.210 1.524 -4.443 329 2HG2 ILE 40 2HG2 ILE 40 2.989 2.727 -5.470 330 3HG2 ILE 40 3HG2 ILE 40 1.237 2.742 -5.267 331 1HD1 ILE 40 1HD1 ILE 40 3.721 -0.133 -5.315 332 2HD1 ILE 40 2HD1 ILE 40 4.417 -0.913 -6.736 333 3HD1 ILE 40 3HD1 ILE 40 5.150 0.553 -6.086 334 H LEU 41 H LEU 41 0.077 -0.020 -3.885 335 HA LEU 41 HA LEU 41 -2.521 0.699 -5.075 336 1HB LEU 41 1HB LEU 41 -1.842 -1.275 -2.932 337 2HB LEU 41 2HB LEU 41 -3.405 -0.482 -2.914 338 HG LEU 41 HG LEU 41 -2.306 -2.423 -4.914 339 1HD1 LEU 41 1HD1 LEU 41 -4.119 -2.561 -2.786 340 2HD1 LEU 41 2HD1 LEU 41 -5.090 -2.638 -4.254 341 3HD1 LEU 41 3HD1 LEU 41 -3.786 -3.798 -3.998 342 1HD2 LEU 41 1HD2 LEU 41 -4.344 -0.282 -5.367 343 2HD2 LEU 41 2HD2 LEU 41 -3.047 -0.838 -6.427 344 3HD2 LEU 41 3HD2 LEU 41 -4.483 -1.834 -6.193 345 H GLU 42 H GLU 42 -3.126 2.672 -4.516 346 HA GLU 42 HA GLU 42 -2.218 3.760 -1.935 347 1HB GLU 42 1HB GLU 42 -1.423 5.018 -3.878 348 2HB GLU 42 2HB GLU 42 -3.077 5.213 -4.443 349 1HG GLU 42 1HG GLU 42 -3.429 6.324 -2.105 350 2HG GLU 42 2HG GLU 42 -1.680 6.534 -2.172 351 H THR 43 H THR 43 -3.700 4.081 -0.397 352 HA THR 43 HA THR 43 -6.533 3.982 -1.175 353 HB THR 43 HB THR 43 -7.036 3.140 0.958 354 HG1 THR 43 HG1 THR 43 -6.064 4.055 2.560 355 1HG2 THR 43 1HG2 THR 43 -4.353 2.027 0.188 356 2HG2 THR 43 2HG2 THR 43 -5.401 1.333 1.423 357 3HG2 THR 43 3HG2 THR 43 -5.942 1.403 -0.255 358 H ARG 44 H ARG 44 -8.047 5.297 0.095 359 HA ARG 44 HA ARG 44 -7.601 7.999 -0.118 360 1HB ARG 44 1HB ARG 44 -9.518 6.394 1.541 361 2HB ARG 44 2HB ARG 44 -9.488 8.148 1.668 362 1HG ARG 44 1HG ARG 44 -9.841 8.248 -0.806 363 2HG ARG 44 2HG ARG 44 -10.085 6.500 -0.775 364 1HD ARG 44 1HD ARG 44 -12.061 8.347 -0.491 365 2HD ARG 44 2HD ARG 44 -12.147 6.684 0.093 366 HE ARG 44 HE ARG 44 -11.927 7.455 2.256 367 1HH1 ARG 44 1HH1 ARG 44 -11.342 10.041 0.001 368 2HH1 ARG 44 2HH1 ARG 44 -11.382 11.280 1.211 369 1HH2 ARG 44 1HH2 ARG 44 -11.983 9.077 3.859 370 2HH2 ARG 44 2HH2 ARG 44 -11.748 10.731 3.404 371 H GLN 45 H GLN 45 -6.449 5.888 2.327 372 HA GLN 45 HA GLN 45 -5.837 8.143 4.104 373 1HB GLN 45 1HB GLN 45 -5.791 5.157 4.568 374 2HB GLN 45 2HB GLN 45 -5.223 6.335 5.743 375 1HG GLN 45 1HG GLN 45 -7.903 6.905 4.772 376 2HG GLN 45 2HG GLN 45 -7.765 5.332 5.554 377 1HE2 GLN 45 2HE2 GLN 45 -8.221 5.375 7.621 378 2HE2 GLN 45 1HE2 GLN 45 -7.932 6.686 8.708 379 H HIS 46 H HIS 46 -4.419 7.960 1.707 380 HA HIS 46 HA HIS 46 -2.326 7.741 0.799 381 1HB HIS 46 1HB HIS 46 -1.343 8.457 3.555 382 2HB HIS 46 2HB HIS 46 -0.662 8.916 1.998 383 HD1 HIS 46 HD1 HIS 46 -3.718 9.727 1.013 384 HD2 HIS 46 HD2 HIS 46 -1.507 11.220 4.198 385 HE1 HIS 46 HE1 HIS 46 -4.679 12.002 1.492 386 HE2 HIS 46 HE2 HIS 46 -3.379 12.849 3.476 387 H ARG 47 H ARG 47 -3.166 5.269 1.299 388 HA ARG 47 HA ARG 47 -1.008 3.926 2.780 389 1HB ARG 47 1HB ARG 47 -3.382 3.410 3.385 390 2HB ARG 47 2HB ARG 47 -3.600 2.753 1.769 391 1HG ARG 47 1HG ARG 47 -1.395 1.407 2.617 392 2HG ARG 47 2HG ARG 47 -2.316 1.581 4.111 393 1HD ARG 47 1HD ARG 47 -3.660 0.660 1.602 394 2HD ARG 47 2HD ARG 47 -2.730 -0.475 2.580 395 HE ARG 47 HE ARG 47 -5.306 0.611 3.184 396 1HH1 ARG 47 1HH1 ARG 47 -2.366 -0.633 4.574 397 2HH1 ARG 47 2HH1 ARG 47 -3.122 -1.134 6.050 398 1HH2 ARG 47 1HH2 ARG 47 -6.313 -0.047 5.124 399 2HH2 ARG 47 2HH2 ARG 47 -5.366 -0.801 6.363 400 H LEU 48 H LEU 48 0.668 3.656 1.419 401 HA LEU 48 HA LEU 48 0.129 2.565 -1.256 402 1HB LEU 48 1HB LEU 48 2.715 3.757 -0.276 403 2HB LEU 48 2HB LEU 48 2.266 3.397 -1.932 404 HG LEU 48 HG LEU 48 0.880 5.478 -0.243 405 1HD1 LEU 48 1HD1 LEU 48 3.224 5.685 -2.104 406 2HD1 LEU 48 2HD1 LEU 48 2.157 7.054 -1.796 407 3HD1 LEU 48 3HD1 LEU 48 3.050 6.317 -0.466 408 1HD2 LEU 48 1HD2 LEU 48 0.665 4.547 -3.067 409 2HD2 LEU 48 2HD2 LEU 48 -0.605 4.977 -1.922 410 3HD2 LEU 48 3HD2 LEU 48 0.354 6.241 -2.692 411 H PHE 49 H PHE 49 0.253 0.420 -1.314 412 HA PHE 49 HA PHE 49 2.506 -0.878 0.069 413 1HB PHE 49 1HB PHE 49 -0.388 -1.691 0.010 414 2HB PHE 49 2HB PHE 49 0.881 -2.881 0.280 415 HD1 PHE 49 HD1 PHE 49 -0.070 0.513 1.525 416 HD2 PHE 49 HD2 PHE 49 1.353 -3.395 2.464 417 HE1 PHE 49 HE1 PHE 49 -0.042 1.105 3.915 418 HE2 PHE 49 HE2 PHE 49 1.385 -2.812 4.860 419 HZ PHE 49 HZ PHE 49 0.689 -0.559 5.587 420 H CYS 50 H CYS 50 3.072 -3.012 -0.845 421 HA CYS 50 HA CYS 50 2.817 -2.938 -3.766 422 1HB CYS 50 1HB CYS 50 4.905 -3.932 -1.883 423 2HB CYS 50 2HB CYS 50 4.740 -4.746 -3.436 424 H ALA 51 H ALA 51 1.111 -4.106 -4.407 425 HA ALA 51 HA ALA 51 0.656 -6.730 -3.158 426 1HB ALA 51 1HB ALA 51 -1.166 -4.891 -3.285 427 2HB ALA 51 2HB ALA 51 -1.317 -5.397 -4.967 428 3HB ALA 51 3HB ALA 51 -1.595 -6.558 -3.669 429 H ASP 52 H ASP 52 0.872 -8.559 -4.303 430 HA ASP 52 HA ASP 52 2.139 -8.501 -6.842 431 1HB ASP 52 1HB ASP 52 1.630 -10.428 -4.812 432 2HB ASP 52 2HB ASP 52 1.027 -11.083 -6.332 433 HA PRO 53 HA PRO 53 -1.331 -8.028 -9.552 434 1HB PRO 53 1HB PRO 53 0.337 -9.726 -11.342 435 2HB PRO 53 2HB PRO 53 -0.416 -8.158 -11.657 436 1HG PRO 53 1HG PRO 53 2.205 -8.341 -11.227 437 2HG PRO 53 2HG PRO 53 1.267 -6.982 -10.576 438 1HD PRO 53 1HD PRO 53 2.340 -9.391 -9.176 439 2HD PRO 53 2HD PRO 53 2.194 -7.719 -8.597 440 H LYS 54 H LYS 54 0.027 -11.062 -8.587 441 HA LYS 54 HA LYS 54 -1.913 -12.733 -9.863 442 1HB LYS 54 1HB LYS 54 -0.123 -13.350 -7.506 443 2HB LYS 54 2HB LYS 54 -0.974 -14.524 -8.498 444 1HG LYS 54 1HG LYS 54 0.561 -12.946 -10.253 445 2HG LYS 54 2HG LYS 54 1.601 -13.366 -8.891 446 1HD LYS 54 1HD LYS 54 1.709 -15.520 -9.497 447 2HD LYS 54 2HD LYS 54 -0.021 -15.601 -9.836 448 1HE LYS 54 1HE LYS 54 1.296 -13.975 -11.802 449 2HE LYS 54 2HE LYS 54 2.097 -15.541 -11.681 450 1HZ LYS 54 1HZ LYS 54 -0.540 -16.178 -11.669 451 2HZ LYS 54 2HZ LYS 54 -0.480 -14.886 -12.759 452 3HZ LYS 54 3HZ LYS 54 0.482 -16.255 -13.016 453 H GLU 55 H GLU 55 -1.575 -11.259 -6.680 454 HA GLU 55 HA GLU 55 -3.504 -12.567 -5.235 455 1HB GLU 55 1HB GLU 55 -3.161 -9.572 -5.157 456 2HB GLU 55 2HB GLU 55 -3.652 -10.635 -3.845 457 1HG GLU 55 1HG GLU 55 -1.344 -11.712 -4.110 458 2HG GLU 55 2HG GLU 55 -0.935 -10.277 -5.049 459 H GLN 56 H GLN 56 -5.578 -12.953 -5.585 460 HA GLN 56 HA GLN 56 -7.085 -12.050 -7.694 461 1HB GLN 56 1HB GLN 56 -7.636 -13.973 -6.195 462 2HB GLN 56 2HB GLN 56 -8.192 -12.819 -4.990 463 1HG GLN 56 1HG GLN 56 -9.339 -13.150 -7.755 464 2HG GLN 56 2HG GLN 56 -10.036 -13.792 -6.268 465 1HE2 GLN 56 2HE2 GLN 56 -9.735 -11.093 -8.321 466 2HE2 GLN 56 1HE2 GLN 56 -10.661 -9.977 -7.382 467 H TRP 57 H TRP 57 -7.312 -10.844 -4.339 468 HA TRP 57 HA TRP 57 -9.180 -8.862 -4.738 469 1HB TRP 57 1HB TRP 57 -8.457 -7.893 -2.701 470 2HB TRP 57 2HB TRP 57 -8.151 -9.619 -2.545 471 HD1 TRP 57 HD1 TRP 57 -5.504 -10.379 -2.899 472 HE1 TRP 57 HE1 TRP 57 -3.359 -9.121 -2.240 473 HE3 TRP 57 HE3 TRP 57 -7.442 -5.667 -2.421 474 HZ2 TRP 57 HZ2 TRP 57 -2.588 -6.477 -1.599 475 HZ3 TRP 57 HZ3 TRP 57 -5.935 -3.826 -1.780 476 HH2 TRP 57 HH2 TRP 57 -3.556 -4.225 -1.378 477 H VAL 58 H VAL 58 -5.969 -8.966 -5.929 478 HA VAL 58 HA VAL 58 -5.781 -6.092 -6.304 479 HB VAL 58 HB VAL 58 -3.937 -8.342 -7.110 480 1HG1 VAL 58 1HG1 VAL 58 -3.846 -6.459 -8.710 481 2HG1 VAL 58 2HG1 VAL 58 -3.464 -5.375 -7.372 482 3HG1 VAL 58 3HG1 VAL 58 -2.345 -6.666 -7.807 483 1HG2 VAL 58 1HG2 VAL 58 -4.144 -7.748 -4.675 484 2HG2 VAL 58 2HG2 VAL 58 -2.522 -7.598 -5.351 485 3HG2 VAL 58 3HG2 VAL 58 -3.504 -6.157 -5.083 486 H LYS 59 H LYS 59 -6.266 -9.006 -8.244 487 HA LYS 59 HA LYS 59 -6.187 -7.789 -10.777 488 1HB LYS 59 1HB LYS 59 -7.822 -10.191 -9.954 489 2HB LYS 59 2HB LYS 59 -7.327 -9.781 -11.584 490 1HG LYS 59 1HG LYS 59 -5.063 -10.239 -11.085 491 2HG LYS 59 2HG LYS 59 -5.401 -10.392 -9.363 492 1HD LYS 59 1HD LYS 59 -6.522 -12.424 -9.650 493 2HD LYS 59 2HD LYS 59 -6.733 -12.167 -11.382 494 1HE LYS 59 1HE LYS 59 -4.684 -12.964 -11.880 495 2HE LYS 59 2HE LYS 59 -3.942 -12.237 -10.456 496 1HZ LYS 59 1HZ LYS 59 -5.734 -14.363 -9.790 497 2HZ LYS 59 2HZ LYS 59 -4.485 -14.882 -10.804 498 3HZ LYS 59 3HZ LYS 59 -4.122 -14.132 -9.334 499 H ASP 60 H ASP 60 -8.917 -8.512 -8.617 500 HA ASP 60 HA ASP 60 -10.845 -7.268 -10.324 501 1HB ASP 60 1HB ASP 60 -11.557 -9.026 -8.817 502 2HB ASP 60 2HB ASP 60 -10.991 -8.111 -7.423 503 H ALA 61 H ALA 61 -9.206 -6.328 -7.306 504 HA ALA 61 HA ALA 61 -10.453 -3.917 -6.834 505 1HB ALA 61 1HB ALA 61 -7.616 -4.788 -6.357 506 2HB ALA 61 2HB ALA 61 -8.220 -3.214 -5.837 507 3HB ALA 61 3HB ALA 61 -8.945 -4.691 -5.202 508 H MET 62 H MET 62 -7.745 -4.613 -9.005 509 HA MET 62 HA MET 62 -7.328 -1.928 -9.813 510 1HB MET 62 1HB MET 62 -6.493 -4.601 -10.876 511 2HB MET 62 2HB MET 62 -6.228 -3.158 -11.844 512 1HG MET 62 1HG MET 62 -4.695 -2.279 -10.362 513 2HG MET 62 2HG MET 62 -5.302 -3.236 -9.010 514 1HE MET 62 1HE MET 62 -4.708 -4.293 -12.554 515 2HE MET 62 2HE MET 62 -3.431 -5.507 -12.482 516 3HE MET 62 3HE MET 62 -5.033 -5.874 -11.844 517 H GLN 63 H GLN 63 -8.865 -4.660 -11.520 518 HA GLN 63 HA GLN 63 -9.745 -3.400 -13.771 519 1HB GLN 63 1HB GLN 63 -10.407 -5.785 -12.372 520 2HB GLN 63 2HB GLN 63 -11.918 -4.996 -12.801 521 1HG GLN 63 1HG GLN 63 -11.735 -5.847 -14.829 522 2HG GLN 63 2HG GLN 63 -10.304 -4.850 -15.084 523 1HE2 GLN 63 1HE2 GLN 63 -10.885 -7.668 -13.018 524 2HE2 GLN 63 2HE2 GLN 63 -9.624 -8.639 -13.690 525 H HIS 64 H HIS 64 -10.859 -3.000 -10.517 526 HA HIS 64 HA HIS 64 -13.283 -1.627 -11.173 527 1HB HIS 64 1HB HIS 64 -13.212 -2.725 -9.057 528 2HB HIS 64 2HB HIS 64 -11.708 -1.922 -8.618 529 HD1 HIS 64 HD1 HIS 64 -15.382 -1.176 -9.090 530 HD2 HIS 64 HD2 HIS 64 -12.001 0.479 -7.331 531 HE1 HIS 64 HE1 HIS 64 -16.212 0.784 -7.750 532 HE2 HIS 64 HE2 HIS 64 -14.162 1.695 -6.603 533 H LEU 65 H LEU 65 -10.111 -0.612 -9.934 534 HA LEU 65 HA LEU 65 -10.654 2.156 -9.972 535 1HB LEU 65 1HB LEU 65 -8.099 0.567 -10.000 536 2HB LEU 65 2HB LEU 65 -8.099 2.320 -10.022 537 HG LEU 65 HG LEU 65 -9.610 0.900 -7.872 538 1HD1 LEU 65 1HD1 LEU 65 -6.630 1.351 -7.892 539 2HD1 LEU 65 2HD1 LEU 65 -7.585 0.885 -6.482 540 3HD1 LEU 65 3HD1 LEU 65 -7.458 -0.207 -7.862 541 1HD2 LEU 65 1HD2 LEU 65 -9.100 3.553 -8.516 542 2HD2 LEU 65 2HD2 LEU 65 -9.755 2.941 -6.997 543 3HD2 LEU 65 3HD2 LEU 65 -8.020 3.208 -7.165 544 H ASP 66 H ASP 66 -9.769 -0.087 -12.448 545 HA ASP 66 HA ASP 66 -8.738 1.826 -14.303 546 1HB ASP 66 1HB ASP 66 -9.559 -1.048 -14.445 547 2HB ASP 66 2HB ASP 66 -9.345 -0.149 -15.943 548 H ARG 67 H ARG 67 -11.746 -0.099 -14.405 549 HA ARG 67 HA ARG 67 -13.018 1.155 -16.471 550 1HB ARG 67 1HB ARG 67 -13.739 -0.733 -14.645 551 2HB ARG 67 2HB ARG 67 -14.779 0.603 -14.171 552 1HG ARG 67 1HG ARG 67 -15.722 0.716 -16.386 553 2HG ARG 67 2HG ARG 67 -14.603 -0.527 -16.955 554 1HD ARG 67 1HD ARG 67 -15.904 -2.168 -16.194 555 2HD ARG 67 2HD ARG 67 -16.069 -1.397 -14.617 556 HE ARG 67 HE ARG 67 -17.905 -1.222 -16.847 557 1HH1 ARG 67 1HH1 ARG 67 -16.888 0.108 -13.793 558 2HH1 ARG 67 2HH1 ARG 67 -18.407 0.877 -13.475 559 1HH2 ARG 67 1HH2 ARG 67 -19.910 -0.215 -16.438 560 2HH2 ARG 67 2HH2 ARG 67 -20.125 0.694 -14.979 561 H GLN 68 H GLN 68 -12.783 2.244 -13.128 562 HA GLN 68 HA GLN 68 -14.614 4.312 -13.122 563 1HB GLN 68 1HB GLN 68 -12.178 3.644 -11.618 564 2HB GLN 68 2HB GLN 68 -12.573 5.358 -11.630 565 1HG GLN 68 1HG GLN 68 -14.600 5.027 -10.544 566 2HG GLN 68 2HG GLN 68 -14.646 3.312 -10.950 567 1HE2 GLN 68 2HE2 GLN 68 -12.634 2.109 -10.063 568 2HE2 GLN 68 1HE2 GLN 68 -12.273 2.420 -8.402 569 H ALA 69 H ALA 69 -11.115 4.707 -13.713 570 HA ALA 69 HA ALA 69 -11.259 7.349 -14.608 571 1HB ALA 69 1HB ALA 69 -9.229 5.722 -14.012 572 2HB ALA 69 2HB ALA 69 -9.157 5.622 -15.771 573 3HB ALA 69 3HB ALA 69 -9.026 7.188 -14.971 574 H ALA 70 H ALA 70 -10.832 4.413 -16.596 575 HA ALA 70 HA ALA 70 -10.998 5.497 -19.095 576 1HB ALA 70 1HB ALA 70 -11.840 2.863 -17.981 577 2HB ALA 70 2HB ALA 70 -12.236 3.254 -19.654 578 3HB ALA 70 3HB ALA 70 -10.553 3.244 -19.124 579 H ALA 71 H ALA 71 -13.605 4.995 -16.821 580 HA ALA 71 HA ALA 71 -15.776 5.267 -18.570 581 1HB ALA 71 1HB ALA 71 -15.821 4.480 -16.166 582 2HB ALA 71 2HB ALA 71 -15.774 6.182 -15.708 583 3HB ALA 71 3HB ALA 71 -17.125 5.561 -16.656 584 H LEU 72 H LEU 72 -13.446 7.512 -17.661 585 HA LEU 72 HA LEU 72 -15.204 9.767 -18.368 586 1HB LEU 72 1HB LEU 72 -12.731 9.638 -16.659 587 2HB LEU 72 2HB LEU 72 -13.359 11.154 -17.278 588 HG LEU 72 HG LEU 72 -14.268 11.081 -15.153 589 1HD1 LEU 72 1HD1 LEU 72 -16.018 11.393 -16.860 590 2HD1 LEU 72 2HD1 LEU 72 -16.351 9.663 -16.804 591 3HD1 LEU 72 3HD1 LEU 72 -16.633 10.660 -15.379 592 1HD2 LEU 72 1HD2 LEU 72 -13.706 8.356 -15.300 593 2HD2 LEU 72 2HD2 LEU 72 -14.314 9.246 -13.906 594 3HD2 LEU 72 3HD2 LEU 72 -15.442 8.457 -15.006 595 H THR 73 H THR 73 -11.690 9.189 -18.435 596 HA THR 73 HA THR 73 -11.675 9.680 -21.315 597 HB THR 73 HB THR 73 -11.313 11.885 -20.383 598 HG1 THR 73 HG1 THR 73 -9.979 11.920 -22.005 599 1HG2 THR 73 1HG2 THR 73 -10.290 10.819 -18.192 600 2HG2 THR 73 2HG2 THR 73 -8.781 11.130 -19.050 601 3HG2 THR 73 3HG2 THR 73 -9.894 12.457 -18.714 602 H ARG 74 H ARG 74 -9.709 9.010 -22.362 603 HA ARG 74 HA ARG 74 -8.381 6.851 -20.888 604 1HB ARG 74 1HB ARG 74 -7.557 6.310 -23.300 605 2HB ARG 74 2HB ARG 74 -9.214 5.938 -22.848 606 1HG ARG 74 1HG ARG 74 -10.039 7.857 -23.992 607 2HG ARG 74 2HG ARG 74 -8.403 8.461 -24.271 608 1HD ARG 74 1HD ARG 74 -7.922 6.622 -25.743 609 2HD ARG 74 2HD ARG 74 -9.465 5.859 -25.363 610 HE ARG 74 HE ARG 74 -10.022 8.385 -26.377 611 1HH1 ARG 74 1HH1 ARG 74 -8.573 5.409 -27.458 612 2HH1 ARG 74 2HH1 ARG 74 -9.036 5.634 -29.112 613 1HH2 ARG 74 1HH2 ARG 74 -10.633 8.693 -28.552 614 2HH2 ARG 74 2HH2 ARG 74 -10.205 7.501 -29.735 615 H ASN 75 H ASN 75 -7.688 9.682 -20.552 616 HA ASN 75 HA ASN 75 -4.867 9.514 -21.383 617 1HB ASN 75 1HB ASN 75 -6.602 11.992 -21.298 618 2HB ASN 75 2HB ASN 75 -4.863 11.994 -21.582 619 1HD2 ASN 75 2HD2 ASN 75 -5.078 12.916 -23.604 620 2HD2 ASN 75 1HD2 ASN 75 -5.689 12.038 -24.961 621 H GLY 76 H GLY 76 -5.734 8.504 -18.972 622 1HA GLY 76 1HA GLY 76 -4.023 9.449 -17.106 623 2HA GLY 76 2HA GLY 76 -5.417 10.500 -16.904 Start of MODEL 16 1 2H MET 0 2H MET 0 14.326 8.403 -2.311 2 3H MET 0 3H MET 0 13.343 7.373 -1.353 3 1H MET 0 1H MET 0 13.584 9.003 -0.884 4 HA MET 0 HA MET 0 14.912 6.982 0.120 5 1HB MET 0 1HB MET 0 15.953 6.276 -1.891 6 2HB MET 0 2HB MET 0 16.349 7.924 -2.356 7 1HG MET 0 1HG MET 0 17.515 6.847 0.154 8 2HG MET 0 2HG MET 0 18.163 6.289 -1.387 9 1HE MET 0 1HE MET 0 20.245 7.241 -2.126 10 2HE MET 0 2HE MET 0 19.157 8.031 -3.267 11 3HE MET 0 3HE MET 0 20.453 8.951 -2.503 12 H GLN 1 H GLN 1 15.152 10.229 -1.164 13 HA GLN 1 HA GLN 1 16.931 11.075 0.979 14 1HB GLN 1 1HB GLN 1 16.494 13.368 -0.206 15 2HB GLN 1 2HB GLN 1 17.541 12.172 -0.960 16 1HG GLN 1 1HG GLN 1 15.905 11.560 -2.520 17 2HG GLN 1 2HG GLN 1 14.622 12.356 -1.611 18 1HE2 GLN 1 2HE2 GLN 1 17.567 12.958 -3.453 19 2HE2 GLN 1 1HE2 GLN 1 17.110 14.524 -4.018 20 H HIS 2 H HIS 2 15.930 11.234 2.897 21 HA HIS 2 HA HIS 2 14.092 13.317 3.378 22 1HB HIS 2 1HB HIS 2 12.522 11.711 2.325 23 2HB HIS 2 2HB HIS 2 12.921 10.535 3.573 24 HD1 HIS 2 HD1 HIS 2 11.043 10.405 5.163 25 HD2 HIS 2 HD2 HIS 2 11.725 14.305 3.905 26 HE1 HIS 2 HE1 HIS 2 9.390 11.816 6.426 27 HE2 HIS 2 HE2 HIS 2 9.772 14.164 5.595 28 H HIS 3 H HIS 3 14.205 10.092 4.864 29 HA HIS 3 HA HIS 3 15.218 11.361 7.318 30 1HB HIS 3 1HB HIS 3 13.006 9.732 6.947 31 2HB HIS 3 2HB HIS 3 14.213 8.638 7.611 32 HD1 HIS 3 HD1 HIS 3 11.906 11.343 8.537 33 HD2 HIS 3 HD2 HIS 3 15.177 9.407 10.217 34 HE1 HIS 3 HE1 HIS 3 11.863 11.944 10.978 35 HE2 HIS 3 HE2 HIS 3 13.902 10.835 11.955 36 H GLY 4 H GLY 4 16.219 9.500 4.753 37 1HA GLY 4 1HA GLY 4 18.789 9.103 5.425 38 2HA GLY 4 2HA GLY 4 18.003 7.757 6.235 39 H VAL 5 H VAL 5 18.270 5.952 5.113 40 HA VAL 5 HA VAL 5 18.007 6.083 2.179 41 HB VAL 5 HB VAL 5 19.481 3.996 2.191 42 1HG1 VAL 5 1HG1 VAL 5 20.065 6.565 1.770 43 2HG1 VAL 5 2HG1 VAL 5 21.126 6.264 3.147 44 3HG1 VAL 5 3HG1 VAL 5 21.277 5.287 1.687 45 1HG2 VAL 5 1HG2 VAL 5 19.247 4.269 4.936 46 2HG2 VAL 5 2HG2 VAL 5 20.376 3.220 4.077 47 3HG2 VAL 5 3HG2 VAL 5 20.881 4.832 4.586 48 H THR 6 H THR 6 16.059 5.285 1.702 49 HA THR 6 HA THR 6 15.140 2.877 3.126 50 HB THR 6 HB THR 6 13.056 4.061 1.565 51 HG1 THR 6 HG1 THR 6 13.711 6.066 1.698 52 1HG2 THR 6 1HG2 THR 6 13.461 3.942 4.544 53 2HG2 THR 6 2HG2 THR 6 11.957 4.370 3.729 54 3HG2 THR 6 3HG2 THR 6 12.628 2.748 3.547 55 H LYS 7 H LYS 7 16.719 3.605 0.422 56 HA LYS 7 HA LYS 7 16.809 2.809 -1.730 57 1HB LYS 7 1HB LYS 7 16.151 0.116 -1.374 58 2HB LYS 7 2HB LYS 7 17.756 0.831 -1.304 59 1HG LYS 7 1HG LYS 7 17.679 -0.273 0.695 60 2HG LYS 7 2HG LYS 7 17.106 1.324 1.181 61 1HD LYS 7 1HD LYS 7 15.314 0.303 2.031 62 2HD LYS 7 2HD LYS 7 14.812 -0.020 0.369 63 1HE LYS 7 1HE LYS 7 14.781 -2.089 1.572 64 2HE LYS 7 2HE LYS 7 16.140 -2.126 0.448 65 1HZ LYS 7 1HZ LYS 7 16.932 -1.067 2.959 66 2HZ LYS 7 2HZ LYS 7 16.220 -2.588 3.161 67 3HZ LYS 7 3HZ LYS 7 17.544 -2.406 2.122 68 H CYS 8 H CYS 8 15.065 3.851 -2.702 69 HA CYS 8 HA CYS 8 13.208 3.887 -4.023 70 1HB CYS 8 1HB CYS 8 13.665 1.042 -3.615 71 2HB CYS 8 2HB CYS 8 11.955 1.417 -3.798 72 H ASN 9 H ASN 9 11.978 5.292 -2.891 73 HA ASN 9 HA ASN 9 10.875 5.277 -0.473 74 1HB ASN 9 1HB ASN 9 9.222 6.760 -1.218 75 2HB ASN 9 2HB ASN 9 10.501 6.933 -2.417 76 1HD2 ASN 9 2HD2 ASN 9 10.259 5.757 -4.424 77 2HD2 ASN 9 1HD2 ASN 9 8.674 5.455 -5.041 78 H ILE 10 H ILE 10 9.766 3.291 -3.144 79 HA ILE 10 HA ILE 10 8.061 1.818 -1.253 80 HB ILE 10 HB ILE 10 6.620 3.216 -2.666 81 1HG1 ILE 10 1HG1 ILE 10 6.191 0.450 -3.694 82 2HG1 ILE 10 2HG1 ILE 10 6.206 0.688 -1.948 83 1HG2 ILE 10 1HG2 ILE 10 8.427 2.437 -4.695 84 2HG2 ILE 10 2HG2 ILE 10 6.837 1.814 -5.136 85 3HG2 ILE 10 3HG2 ILE 10 7.054 3.536 -4.819 86 1HD1 ILE 10 1HD1 ILE 10 4.446 2.223 -3.835 87 2HD1 ILE 10 2HD1 ILE 10 3.954 0.763 -2.975 88 3HD1 ILE 10 3HD1 ILE 10 4.388 2.216 -2.073 89 H THR 11 H THR 11 9.545 0.164 -1.026 90 HA THR 11 HA THR 11 10.284 -1.299 -3.464 91 HB THR 11 HB THR 11 11.561 -0.959 -0.792 92 HG1 THR 11 HG1 THR 11 12.120 -0.439 -3.352 93 1HG2 THR 11 1HG2 THR 11 11.618 -3.495 -2.337 94 2HG2 THR 11 2HG2 THR 11 13.114 -2.912 -1.606 95 3HG2 THR 11 3HG2 THR 11 11.703 -3.226 -0.595 96 H CYS 12 H CYS 12 9.033 -2.967 -3.937 97 HA CYS 12 HA CYS 12 7.251 -4.142 -2.038 98 1HB CYS 12 1HB CYS 12 7.971 -5.065 -4.828 99 2HB CYS 12 2HB CYS 12 6.595 -5.619 -3.882 100 H SER 13 H SER 13 9.529 -4.502 -0.785 101 HA SER 13 HA SER 13 10.857 -6.951 -1.452 102 1HB SER 13 1HB SER 13 12.049 -5.179 -0.256 103 2HB SER 13 2HB SER 13 10.924 -5.316 1.095 104 HG SER 13 HG SER 13 13.112 -6.545 0.994 105 H LYS 14 H LYS 14 7.973 -6.156 0.161 106 HA LYS 14 HA LYS 14 7.592 -8.944 0.903 107 1HB LYS 14 1HB LYS 14 8.467 -8.063 2.958 108 2HB LYS 14 2HB LYS 14 7.409 -6.661 2.869 109 1HG LYS 14 1HG LYS 14 6.671 -8.329 4.521 110 2HG LYS 14 2HG LYS 14 5.473 -8.030 3.262 111 1HD LYS 14 1HD LYS 14 5.703 -10.110 2.359 112 2HD LYS 14 2HD LYS 14 7.405 -10.233 2.809 113 1HE LYS 14 1HE LYS 14 6.829 -11.479 4.551 114 2HE LYS 14 2HE LYS 14 5.931 -10.113 5.207 115 1HZ LYS 14 1HZ LYS 14 4.268 -11.127 3.313 116 2HZ LYS 14 2HZ LYS 14 4.959 -12.516 3.987 117 3HZ LYS 14 3HZ LYS 14 4.151 -11.407 4.976 118 H MET 15 H MET 15 5.650 -9.582 0.251 119 HA MET 15 HA MET 15 3.791 -7.859 -0.949 120 1HB MET 15 1HB MET 15 3.695 -10.719 -0.044 121 2HB MET 15 2HB MET 15 2.241 -9.934 -0.647 122 1HG MET 15 1HG MET 15 3.466 -11.234 -2.357 123 2HG MET 15 2HG MET 15 3.253 -9.534 -2.770 124 1HE MET 15 1HE MET 15 4.606 -8.367 -3.738 125 2HE MET 15 2HE MET 15 6.273 -8.002 -3.287 126 3HE MET 15 3HE MET 15 5.939 -9.212 -4.527 127 H THR 16 H THR 16 1.395 -7.879 -0.263 128 HA THR 16 HA THR 16 1.235 -7.313 2.625 129 HB THR 16 HB THR 16 1.134 -5.316 1.039 130 HG1 THR 16 HG1 THR 16 -0.746 -4.472 2.205 131 1HG2 THR 16 1HG2 THR 16 -1.578 -6.477 0.453 132 2HG2 THR 16 2HG2 THR 16 -1.078 -4.826 0.085 133 3HG2 THR 16 3HG2 THR 16 -0.277 -6.187 -0.703 134 H SER 17 H SER 17 -1.408 -6.979 2.980 135 HA SER 17 HA SER 17 -2.536 -9.580 2.175 136 1HB SER 17 1HB SER 17 -2.892 -7.978 4.711 137 2HB SER 17 2HB SER 17 -3.933 -9.335 4.283 138 HG SER 17 HG SER 17 -1.965 -10.603 4.157 139 H LYS 18 H LYS 18 -4.832 -9.688 1.828 140 HA LYS 18 HA LYS 18 -5.900 -7.983 0.041 141 1HB LYS 18 1HB LYS 18 -7.109 -9.954 0.451 142 2HB LYS 18 2HB LYS 18 -7.246 -9.620 2.172 143 1HG LYS 18 1HG LYS 18 -8.891 -7.959 1.813 144 2HG LYS 18 2HG LYS 18 -8.593 -7.943 0.074 145 1HD LYS 18 1HD LYS 18 -9.258 -10.467 0.237 146 2HD LYS 18 2HD LYS 18 -10.040 -9.959 1.734 147 1HE LYS 18 1HE LYS 18 -11.732 -9.742 0.160 148 2HE LYS 18 2HE LYS 18 -11.096 -8.103 0.295 149 1HZ LYS 18 1HZ LYS 18 -9.884 -9.813 -1.728 150 2HZ LYS 18 2HZ LYS 18 -11.471 -9.309 -2.024 151 3HZ LYS 18 3HZ LYS 18 -10.251 -8.162 -1.784 152 H ILE 19 H ILE 19 -7.220 -6.160 0.021 153 HA ILE 19 HA ILE 19 -7.714 -4.771 2.539 154 HB ILE 19 HB ILE 19 -6.394 -3.284 0.281 155 1HG1 ILE 19 1HG1 ILE 19 -5.127 -4.681 2.638 156 2HG1 ILE 19 2HG1 ILE 19 -4.731 -4.862 0.931 157 1HG2 ILE 19 1HG2 ILE 19 -7.699 -1.980 1.886 158 2HG2 ILE 19 2HG2 ILE 19 -6.739 -2.645 3.208 159 3HG2 ILE 19 3HG2 ILE 19 -5.980 -1.609 1.999 160 1HD1 ILE 19 1HD1 ILE 19 -4.149 -2.313 1.126 161 2HD1 ILE 19 2HD1 ILE 19 -3.976 -2.715 2.836 162 3HD1 ILE 19 3HD1 ILE 19 -3.002 -3.556 1.629 163 HA PRO 20 HA PRO 20 -11.629 -3.968 0.674 164 1HB PRO 20 1HB PRO 20 -11.446 -1.418 2.191 165 2HB PRO 20 2HB PRO 20 -12.726 -2.629 2.185 166 1HG PRO 20 1HG PRO 20 -11.033 -2.416 4.233 167 2HG PRO 20 2HG PRO 20 -11.617 -3.987 3.670 168 1HD PRO 20 1HD PRO 20 -8.958 -2.709 3.279 169 2HD PRO 20 2HD PRO 20 -9.366 -4.425 3.487 170 H VAL 21 H VAL 21 -11.705 -3.394 -1.412 171 HA VAL 21 HA VAL 21 -10.091 -1.454 -2.630 172 HB VAL 21 HB VAL 21 -11.386 -3.342 -3.762 173 1HG1 VAL 21 1HG1 VAL 21 -13.585 -2.758 -2.818 174 2HG1 VAL 21 2HG1 VAL 21 -13.576 -1.270 -3.764 175 3HG1 VAL 21 3HG1 VAL 21 -13.606 -2.832 -4.580 176 1HG2 VAL 21 1HG2 VAL 21 -10.214 -1.178 -4.770 177 2HG2 VAL 21 2HG2 VAL 21 -11.061 -2.348 -5.780 178 3HG2 VAL 21 3HG2 VAL 21 -11.865 -0.853 -5.299 179 H ALA 22 H ALA 22 -12.826 -1.110 -0.666 180 HA ALA 22 HA ALA 22 -13.951 1.252 -1.757 181 1HB ALA 22 1HB ALA 22 -14.716 -0.484 0.173 182 2HB ALA 22 2HB ALA 22 -14.172 0.878 1.152 183 3HB ALA 22 3HB ALA 22 -15.429 1.113 -0.063 184 H LEU 23 H LEU 23 -11.033 0.678 -0.163 185 HA LEU 23 HA LEU 23 -10.830 3.461 0.756 186 1HB LEU 23 1HB LEU 23 -8.704 1.451 1.315 187 2HB LEU 23 2HB LEU 23 -9.245 2.807 2.288 188 HG LEU 23 HG LEU 23 -11.223 0.648 1.939 189 1HD1 LEU 23 1HD1 LEU 23 -8.591 0.221 3.311 190 2HD1 LEU 23 2HD1 LEU 23 -10.051 -0.619 3.835 191 3HD1 LEU 23 3HD1 LEU 23 -9.446 -0.842 2.193 192 1HD2 LEU 23 1HD2 LEU 23 -11.238 2.795 3.424 193 2HD2 LEU 23 2HD2 LEU 23 -11.902 1.281 4.039 194 3HD2 LEU 23 3HD2 LEU 23 -10.288 1.798 4.527 195 H LEU 24 H LEU 24 -9.956 1.432 -1.784 196 HA LEU 24 HA LEU 24 -7.448 2.692 -2.433 197 1HB LEU 24 1HB LEU 24 -9.232 0.800 -3.959 198 2HB LEU 24 2HB LEU 24 -7.707 1.403 -4.579 199 HG LEU 24 HG LEU 24 -8.082 -0.315 -2.123 200 1HD1 LEU 24 1HD1 LEU 24 -6.981 -0.857 -4.869 201 2HD1 LEU 24 2HD1 LEU 24 -6.696 -1.910 -3.485 202 3HD1 LEU 24 3HD1 LEU 24 -8.339 -1.645 -4.068 203 1HD2 LEU 24 1HD2 LEU 24 -5.804 1.285 -3.117 204 2HD2 LEU 24 2HD2 LEU 24 -6.219 0.795 -1.474 205 3HD2 LEU 24 3HD2 LEU 24 -5.443 -0.353 -2.567 206 H ILE 25 H ILE 25 -7.198 4.550 -3.481 207 HA ILE 25 HA ILE 25 -9.509 5.654 -4.933 208 HB ILE 25 HB ILE 25 -8.682 7.845 -4.513 209 1HG1 ILE 25 1HG1 ILE 25 -6.259 6.624 -3.180 210 2HG1 ILE 25 2HG1 ILE 25 -6.260 7.226 -4.835 211 1HG2 ILE 25 1HG2 ILE 25 -8.911 5.963 -2.258 212 2HG2 ILE 25 2HG2 ILE 25 -8.223 7.543 -1.880 213 3HG2 ILE 25 3HG2 ILE 25 -9.824 7.430 -2.613 214 1HD1 ILE 25 1HD1 ILE 25 -7.197 9.071 -2.721 215 2HD1 ILE 25 2HD1 ILE 25 -5.474 8.700 -2.783 216 3HD1 ILE 25 3HD1 ILE 25 -6.277 9.395 -4.190 217 H HIS 26 H HIS 26 -6.147 4.783 -5.177 218 HA HIS 26 HA HIS 26 -6.262 4.870 -8.036 219 1HB HIS 26 1HB HIS 26 -5.409 7.221 -6.733 220 2HB HIS 26 2HB HIS 26 -3.957 6.460 -7.375 221 HD1 HIS 26 HD1 HIS 26 -4.089 5.880 -10.029 222 HD2 HIS 26 HD2 HIS 26 -6.838 8.632 -8.566 223 HE1 HIS 26 HE1 HIS 26 -4.952 7.107 -12.047 224 HE2 HIS 26 HE2 HIS 26 -6.532 8.838 -11.126 225 H TYR 27 H TYR 27 -4.725 3.592 -8.977 226 HA TYR 27 HA TYR 27 -2.843 2.274 -7.133 227 1HB TYR 27 1HB TYR 27 -3.053 0.270 -8.401 228 2HB TYR 27 2HB TYR 27 -4.690 0.863 -8.139 229 HD1 TYR 27 HD1 TYR 27 -2.006 0.441 -10.631 230 HD2 TYR 27 HD2 TYR 27 -6.061 1.584 -9.976 231 HE1 TYR 27 HE1 TYR 27 -2.411 0.375 -13.061 232 HE2 TYR 27 HE2 TYR 27 -6.477 1.519 -12.402 233 HH TYR 27 HH TYR 27 -4.533 0.020 -14.565 234 H GLN 28 H GLN 28 -0.845 1.437 -8.176 235 HA GLN 28 HA GLN 28 0.001 2.950 -10.529 236 1HB GLN 28 1HB GLN 28 2.067 2.858 -8.458 237 2HB GLN 28 2HB GLN 28 1.579 4.184 -9.504 238 1HG GLN 28 1HG GLN 28 -0.337 4.616 -8.027 239 2HG GLN 28 2HG GLN 28 0.218 3.327 -6.962 240 1HE2 GLN 28 1HE2 GLN 28 0.028 6.472 -7.052 241 2HE2 GLN 28 2HE2 GLN 28 1.495 6.938 -6.269 242 H GLN 29 H GLN 29 2.748 2.244 -10.288 243 HA GLN 29 HA GLN 29 2.770 -0.673 -10.201 244 1HB GLN 29 1HB GLN 29 2.466 0.672 -12.614 245 2HB GLN 29 2HB GLN 29 4.184 0.301 -12.550 246 1HG GLN 29 1HG GLN 29 3.855 -1.914 -12.776 247 2HG GLN 29 2HG GLN 29 2.364 -1.901 -11.836 248 1HE2 GLN 29 2HE2 GLN 29 2.493 -3.405 -14.076 249 2HE2 GLN 29 1HE2 GLN 29 1.517 -2.716 -15.324 250 H ASN 30 H ASN 30 4.558 -1.399 -9.255 251 HA ASN 30 HA ASN 30 6.472 0.188 -8.088 252 1HB ASN 30 1HB ASN 30 5.940 -2.498 -8.125 253 2HB ASN 30 2HB ASN 30 7.498 -2.431 -8.944 254 1HD2 ASN 30 1HD2 ASN 30 8.690 -3.341 -7.341 255 2HD2 ASN 30 2HD2 ASN 30 8.959 -2.597 -5.807 256 H GLN 31 H GLN 31 8.878 0.126 -8.547 257 HA GLN 31 HA GLN 31 9.300 0.722 -11.396 258 1HB GLN 31 1HB GLN 31 10.499 1.814 -8.877 259 2HB GLN 31 2HB GLN 31 11.396 1.914 -10.385 260 1HG GLN 31 1HG GLN 31 9.955 3.423 -11.307 261 2HG GLN 31 2HG GLN 31 8.581 2.859 -10.358 262 1HE2 GLN 31 2HE2 GLN 31 9.898 5.548 -10.839 263 2HE2 GLN 31 1HE2 GLN 31 10.098 6.204 -9.254 264 H ALA 32 H ALA 32 11.343 0.135 -12.357 265 HA ALA 32 HA ALA 32 12.115 -2.527 -11.717 266 1HB ALA 32 1HB ALA 32 12.388 -0.785 -13.917 267 2HB ALA 32 2HB ALA 32 14.010 -1.305 -13.461 268 3HB ALA 32 3HB ALA 32 12.771 -2.505 -13.834 269 H SER 33 H SER 33 12.988 0.375 -10.350 270 HA SER 33 HA SER 33 15.708 -0.496 -9.700 271 1HB SER 33 1HB SER 33 16.261 1.684 -9.529 272 2HB SER 33 2HB SER 33 14.729 1.990 -10.345 273 HG SER 33 HG SER 33 15.437 2.778 -7.947 274 H CYS 34 H CYS 34 12.775 -1.115 -8.537 275 HA CYS 34 HA CYS 34 13.637 -1.002 -5.722 276 1HB CYS 34 1HB CYS 34 10.775 -1.221 -6.649 277 2HB CYS 34 2HB CYS 34 11.368 -0.800 -5.047 278 H GLY 35 H GLY 35 11.648 -2.719 -4.717 279 1HA GLY 35 1HA GLY 35 12.865 -5.213 -4.965 280 2HA GLY 35 2HA GLY 35 11.249 -4.946 -4.329 281 H LYS 36 H LYS 36 10.439 -6.834 -5.269 282 HA LYS 36 HA LYS 36 10.722 -7.507 -7.990 283 1HB LYS 36 1HB LYS 36 8.418 -8.252 -6.185 284 2HB LYS 36 2HB LYS 36 8.957 -9.106 -7.621 285 1HG LYS 36 1HG LYS 36 10.103 -10.409 -6.238 286 2HG LYS 36 2HG LYS 36 11.214 -9.050 -6.051 287 1HD LYS 36 1HD LYS 36 9.527 -8.274 -4.224 288 2HD LYS 36 2HD LYS 36 9.008 -9.962 -4.247 289 1HE LYS 36 1HE LYS 36 11.894 -9.193 -3.947 290 2HE LYS 36 2HE LYS 36 10.810 -9.296 -2.560 291 1HZ LYS 36 1HZ LYS 36 10.534 -11.614 -4.131 292 2HZ LYS 36 2HZ LYS 36 12.176 -11.370 -3.811 293 3HZ LYS 36 3HZ LYS 36 11.073 -11.479 -2.532 294 H ARG 37 H ARG 37 9.465 -7.114 -9.769 295 HA ARG 37 HA ARG 37 8.077 -4.670 -9.899 296 1HB ARG 37 1HB ARG 37 9.079 -5.475 -11.895 297 2HB ARG 37 2HB ARG 37 8.247 -7.019 -11.777 298 1HG ARG 37 1HG ARG 37 6.286 -6.189 -12.602 299 2HG ARG 37 2HG ARG 37 6.614 -4.550 -12.034 300 1HD ARG 37 1HD ARG 37 8.637 -4.957 -13.827 301 2HD ARG 37 2HD ARG 37 7.304 -5.841 -14.568 302 HE ARG 37 HE ARG 37 6.169 -3.481 -13.929 303 1HH1 ARG 37 1HH1 ARG 37 9.092 -4.320 -15.625 304 2HH1 ARG 37 2HH1 ARG 37 9.066 -2.911 -16.633 305 1HH2 ARG 37 1HH2 ARG 37 6.122 -1.623 -15.253 306 2HH2 ARG 37 2HH2 ARG 37 7.377 -1.377 -16.422 307 H ALA 38 H ALA 38 6.450 -4.667 -8.339 308 HA ALA 38 HA ALA 38 4.194 -6.492 -8.849 309 1HB ALA 38 1HB ALA 38 5.341 -6.577 -6.587 310 2HB ALA 38 2HB ALA 38 4.652 -4.980 -6.292 311 3HB ALA 38 3HB ALA 38 3.591 -6.360 -6.574 312 H ILE 39 H ILE 39 2.442 -4.900 -7.139 313 HA ILE 39 HA ILE 39 1.986 -2.608 -8.936 314 HB ILE 39 HB ILE 39 -0.029 -4.422 -7.618 315 1HG1 ILE 39 1HG1 ILE 39 1.167 -4.889 -9.916 316 2HG1 ILE 39 2HG1 ILE 39 -0.562 -5.173 -9.739 317 1HG2 ILE 39 1HG2 ILE 39 -0.744 -2.096 -7.386 318 2HG2 ILE 39 2HG2 ILE 39 -0.539 -1.859 -9.122 319 3HG2 ILE 39 3HG2 ILE 39 -1.767 -2.974 -8.524 320 1HD1 ILE 39 1HD1 ILE 39 0.319 -2.503 -10.676 321 2HD1 ILE 39 2HD1 ILE 39 0.434 -3.863 -11.792 322 3HD1 ILE 39 3HD1 ILE 39 -1.124 -3.431 -11.085 323 H ILE 40 H ILE 40 1.124 -0.704 -8.023 324 HA ILE 40 HA ILE 40 1.647 -0.454 -5.140 325 HB ILE 40 HB ILE 40 1.346 1.840 -7.065 326 1HG1 ILE 40 1HG1 ILE 40 3.133 0.451 -7.943 327 2HG1 ILE 40 2HG1 ILE 40 3.829 1.882 -7.187 328 1HG2 ILE 40 1HG2 ILE 40 2.021 1.507 -4.238 329 2HG2 ILE 40 2HG2 ILE 40 3.117 2.569 -5.124 330 3HG2 ILE 40 3HG2 ILE 40 1.386 2.910 -5.098 331 1HD1 ILE 40 1HD1 ILE 40 3.576 -0.412 -5.396 332 2HD1 ILE 40 2HD1 ILE 40 4.656 -0.666 -6.766 333 3HD1 ILE 40 3HD1 ILE 40 4.933 0.683 -5.665 334 H LEU 41 H LEU 41 0.066 0.079 -3.758 335 HA LEU 41 HA LEU 41 -2.557 0.788 -4.896 336 1HB LEU 41 1HB LEU 41 -1.995 -0.752 -2.363 337 2HB LEU 41 2HB LEU 41 -3.582 -0.352 -2.995 338 HG LEU 41 HG LEU 41 -1.569 -2.242 -4.205 339 1HD1 LEU 41 1HD1 LEU 41 -3.974 -2.517 -2.554 340 2HD1 LEU 41 2HD1 LEU 41 -3.929 -3.563 -3.973 341 3HD1 LEU 41 3HD1 LEU 41 -2.621 -3.625 -2.792 342 1HD2 LEU 41 1HD2 LEU 41 -3.647 -0.701 -5.472 343 2HD2 LEU 41 2HD2 LEU 41 -2.457 -1.787 -6.190 344 3HD2 LEU 41 3HD2 LEU 41 -3.985 -2.428 -5.587 345 H GLU 42 H GLU 42 -3.052 2.826 -4.509 346 HA GLU 42 HA GLU 42 -2.138 4.060 -1.998 347 1HB GLU 42 1HB GLU 42 -1.231 5.171 -3.953 348 2HB GLU 42 2HB GLU 42 -2.837 5.324 -4.652 349 1HG GLU 42 1HG GLU 42 -3.368 6.660 -2.495 350 2HG GLU 42 2HG GLU 42 -1.615 6.817 -2.378 351 H THR 43 H THR 43 -3.627 4.571 -0.533 352 HA THR 43 HA THR 43 -6.451 4.518 -1.347 353 HB THR 43 HB THR 43 -6.989 3.999 0.935 354 HG1 THR 43 HG1 THR 43 -5.442 4.000 2.542 355 1HG2 THR 43 1HG2 THR 43 -4.776 2.417 -0.258 356 2HG2 THR 43 2HG2 THR 43 -5.300 2.055 1.387 357 3HG2 THR 43 3HG2 THR 43 -6.452 1.965 0.055 358 H ARG 44 H ARG 44 -7.912 5.972 -0.065 359 HA ARG 44 HA ARG 44 -7.172 8.659 -0.456 360 1HB ARG 44 1HB ARG 44 -9.296 9.213 0.612 361 2HB ARG 44 2HB ARG 44 -9.501 7.890 -0.526 362 1HG ARG 44 1HG ARG 44 -9.135 6.421 1.624 363 2HG ARG 44 2HG ARG 44 -9.675 7.888 2.441 364 1HD ARG 44 1HD ARG 44 -11.545 6.380 1.982 365 2HD ARG 44 2HD ARG 44 -11.711 7.900 1.103 366 HE ARG 44 HE ARG 44 -10.422 5.953 -0.501 367 1HH1 ARG 44 1HH1 ARG 44 -13.539 6.847 0.766 368 2HH1 ARG 44 2HH1 ARG 44 -14.423 6.115 -0.531 369 1HH2 ARG 44 1HH2 ARG 44 -11.575 4.984 -2.216 370 2HH2 ARG 44 2HH2 ARG 44 -13.305 5.057 -2.226 371 H GLN 45 H GLN 45 -6.408 6.530 2.035 372 HA GLN 45 HA GLN 45 -5.996 8.704 3.968 373 1HB GLN 45 1HB GLN 45 -7.036 6.151 4.300 374 2HB GLN 45 2HB GLN 45 -5.396 6.016 4.919 375 1HG GLN 45 1HG GLN 45 -5.762 7.666 6.551 376 2HG GLN 45 2HG GLN 45 -7.251 8.209 5.779 377 1HE2 GLN 45 2HE2 GLN 45 -5.763 5.607 7.594 378 2HE2 GLN 45 1HE2 GLN 45 -7.232 4.948 8.220 379 H HIS 46 H HIS 46 -4.327 8.143 1.587 380 HA HIS 46 HA HIS 46 -2.133 8.080 0.999 381 1HB HIS 46 1HB HIS 46 -2.014 9.013 3.847 382 2HB HIS 46 2HB HIS 46 -0.523 8.694 2.967 383 HD1 HIS 46 HD1 HIS 46 -2.123 9.833 0.258 384 HD2 HIS 46 HD2 HIS 46 -1.209 11.765 3.821 385 HE1 HIS 46 HE1 HIS 46 -2.127 12.287 -0.289 386 HE2 HIS 46 HE2 HIS 46 -1.498 13.433 1.865 387 H ARG 47 H ARG 47 -3.151 5.607 1.340 388 HA ARG 47 HA ARG 47 -1.157 4.123 2.910 389 1HB ARG 47 1HB ARG 47 -3.657 3.741 3.257 390 2HB ARG 47 2HB ARG 47 -3.658 2.986 1.669 391 1HG ARG 47 1HG ARG 47 -1.590 1.704 2.913 392 2HG ARG 47 2HG ARG 47 -2.734 1.956 4.234 393 1HD ARG 47 1HD ARG 47 -3.655 0.873 1.598 394 2HD ARG 47 2HD ARG 47 -2.921 -0.189 2.798 395 HE ARG 47 HE ARG 47 -5.542 0.978 2.891 396 1HH1 ARG 47 1HH1 ARG 47 -2.925 -0.322 4.784 397 2HH1 ARG 47 2HH1 ARG 47 -3.935 -0.751 6.124 398 1HH2 ARG 47 1HH2 ARG 47 -6.882 0.417 4.647 399 2HH2 ARG 47 2HH2 ARG 47 -6.186 -0.330 6.046 400 H LEU 48 H LEU 48 0.583 3.718 1.694 401 HA LEU 48 HA LEU 48 0.171 2.765 -1.062 402 1HB LEU 48 1HB LEU 48 2.663 3.947 0.167 403 2HB LEU 48 2HB LEU 48 2.470 3.460 -1.506 404 HG LEU 48 HG LEU 48 0.992 5.714 -0.148 405 1HD1 LEU 48 1HD1 LEU 48 3.256 5.675 -2.133 406 2HD1 LEU 48 2HD1 LEU 48 2.300 7.107 -1.754 407 3HD1 LEU 48 3HD1 LEU 48 3.270 6.336 -0.497 408 1HD2 LEU 48 1HD2 LEU 48 0.647 4.337 -2.736 409 2HD2 LEU 48 2HD2 LEU 48 -0.524 5.207 -1.746 410 3HD2 LEU 48 3HD2 LEU 48 0.598 6.099 -2.773 411 H PHE 49 H PHE 49 0.076 0.593 -0.972 412 HA PHE 49 HA PHE 49 2.260 -0.793 0.443 413 1HB PHE 49 1HB PHE 49 -0.667 -1.433 0.294 414 2HB PHE 49 2HB PHE 49 0.505 -2.728 0.523 415 HD1 PHE 49 HD1 PHE 49 1.938 -2.757 2.542 416 HD2 PHE 49 HD2 PHE 49 -1.228 0.058 2.052 417 HE1 PHE 49 HE1 PHE 49 1.991 -2.281 4.960 418 HE2 PHE 49 HE2 PHE 49 -1.181 0.540 4.469 419 HZ PHE 49 HZ PHE 49 0.430 -0.632 5.926 420 H CYS 50 H CYS 50 2.791 -2.939 -0.450 421 HA CYS 50 HA CYS 50 2.667 -2.860 -3.380 422 1HB CYS 50 1HB CYS 50 4.623 -3.951 -1.406 423 2HB CYS 50 2HB CYS 50 4.507 -4.728 -2.981 424 H ALA 51 H ALA 51 1.338 -4.198 -4.397 425 HA ALA 51 HA ALA 51 0.647 -6.753 -3.102 426 1HB ALA 51 1HB ALA 51 -1.185 -5.016 -3.052 427 2HB ALA 51 2HB ALA 51 -1.262 -5.174 -4.806 428 3HB ALA 51 3HB ALA 51 -1.610 -6.564 -3.779 429 H ASP 52 H ASP 52 0.897 -8.529 -4.312 430 HA ASP 52 HA ASP 52 2.087 -8.318 -6.904 431 1HB ASP 52 1HB ASP 52 2.053 -10.231 -4.896 432 2HB ASP 52 2HB ASP 52 1.119 -10.977 -6.190 433 HA PRO 53 HA PRO 53 -1.621 -8.120 -9.332 434 1HB PRO 53 1HB PRO 53 0.099 -9.392 -11.390 435 2HB PRO 53 2HB PRO 53 -0.838 -7.898 -11.475 436 1HG PRO 53 1HG PRO 53 1.820 -7.839 -11.247 437 2HG PRO 53 2HG PRO 53 0.800 -6.652 -10.413 438 1HD PRO 53 1HD PRO 53 2.201 -9.054 -9.316 439 2HD PRO 53 2HD PRO 53 1.955 -7.457 -8.580 440 H LYS 54 H LYS 54 0.151 -10.957 -8.580 441 HA LYS 54 HA LYS 54 -1.437 -12.846 -9.991 442 1HB LYS 54 1HB LYS 54 0.529 -13.015 -7.734 443 2HB LYS 54 2HB LYS 54 -0.437 -14.420 -8.164 444 1HG LYS 54 1HG LYS 54 0.429 -13.964 -10.565 445 2HG LYS 54 2HG LYS 54 1.678 -13.027 -9.741 446 1HD LYS 54 1HD LYS 54 1.020 -15.919 -9.182 447 2HD LYS 54 2HD LYS 54 2.367 -15.358 -10.175 448 1HE LYS 54 1HE LYS 54 2.894 -13.945 -7.995 449 2HE LYS 54 2HE LYS 54 1.994 -15.253 -7.228 450 1HZ LYS 54 1HZ LYS 54 4.250 -15.760 -9.076 451 2HZ LYS 54 2HZ LYS 54 4.478 -15.546 -7.414 452 3HZ LYS 54 3HZ LYS 54 3.536 -16.832 -7.978 453 H GLU 55 H GLU 55 -1.754 -11.213 -6.937 454 HA GLU 55 HA GLU 55 -3.704 -12.996 -5.840 455 1HB GLU 55 1HB GLU 55 -3.241 -10.113 -5.071 456 2HB GLU 55 2HB GLU 55 -3.957 -11.383 -4.086 457 1HG GLU 55 1HG GLU 55 -1.914 -12.421 -3.710 458 2HG GLU 55 2HG GLU 55 -1.147 -11.620 -5.081 459 H GLN 56 H GLN 56 -5.869 -12.983 -6.044 460 HA GLN 56 HA GLN 56 -7.121 -11.764 -8.195 461 1HB GLN 56 1HB GLN 56 -7.908 -13.742 -6.764 462 2HB GLN 56 2HB GLN 56 -8.596 -12.534 -5.689 463 1HG GLN 56 1HG GLN 56 -9.364 -13.222 -8.492 464 2HG GLN 56 2HG GLN 56 -10.373 -13.124 -7.048 465 1HE2 GLN 56 2HE2 GLN 56 -8.636 -11.265 -9.456 466 2HE2 GLN 56 1HE2 GLN 56 -9.514 -9.793 -9.235 467 H TRP 57 H TRP 57 -7.418 -10.846 -4.753 468 HA TRP 57 HA TRP 57 -9.052 -8.672 -4.997 469 1HB TRP 57 1HB TRP 57 -8.386 -8.044 -2.876 470 2HB TRP 57 2HB TRP 57 -7.882 -9.728 -2.906 471 HD1 TRP 57 HD1 TRP 57 -5.172 -10.125 -3.430 472 HE1 TRP 57 HE1 TRP 57 -3.166 -8.709 -2.660 473 HE3 TRP 57 HE3 TRP 57 -7.630 -5.777 -2.328 474 HZ2 TRP 57 HZ2 TRP 57 -2.689 -6.090 -1.706 475 HZ3 TRP 57 HZ3 TRP 57 -6.329 -3.861 -1.492 476 HH2 TRP 57 HH2 TRP 57 -3.907 -4.016 -1.187 477 H VAL 58 H VAL 58 -5.815 -8.959 -6.145 478 HA VAL 58 HA VAL 58 -5.440 -6.090 -6.416 479 HB VAL 58 HB VAL 58 -3.717 -8.397 -7.332 480 1HG1 VAL 58 1HG1 VAL 58 -3.437 -6.397 -8.735 481 2HG1 VAL 58 2HG1 VAL 58 -3.081 -5.449 -7.291 482 3HG1 VAL 58 3HG1 VAL 58 -1.996 -6.752 -7.782 483 1HG2 VAL 58 1HG2 VAL 58 -4.111 -7.665 -4.791 484 2HG2 VAL 58 2HG2 VAL 58 -2.556 -8.246 -5.389 485 3HG2 VAL 58 3HG2 VAL 58 -2.848 -6.514 -5.222 486 H LYS 59 H LYS 59 -5.764 -8.914 -8.563 487 HA LYS 59 HA LYS 59 -5.732 -7.479 -10.981 488 1HB LYS 59 1HB LYS 59 -7.267 -10.033 -10.532 489 2HB LYS 59 2HB LYS 59 -6.524 -9.467 -12.020 490 1HG LYS 59 1HG LYS 59 -4.316 -9.809 -11.072 491 2HG LYS 59 2HG LYS 59 -5.039 -10.326 -9.546 492 1HD LYS 59 1HD LYS 59 -6.291 -12.032 -11.122 493 2HD LYS 59 2HD LYS 59 -4.895 -11.739 -12.160 494 1HE LYS 59 1HE LYS 59 -3.404 -12.346 -10.306 495 2HE LYS 59 2HE LYS 59 -4.809 -12.666 -9.291 496 1HZ LYS 59 1HZ LYS 59 -4.150 -14.097 -11.809 497 2HZ LYS 59 2HZ LYS 59 -3.900 -14.697 -10.247 498 3HZ LYS 59 3HZ LYS 59 -5.473 -14.416 -10.804 499 H ASP 60 H ASP 60 -8.353 -8.404 -8.807 500 HA ASP 60 HA ASP 60 -10.429 -7.372 -10.484 501 1HB ASP 60 1HB ASP 60 -11.176 -9.015 -8.978 502 2HB ASP 60 2HB ASP 60 -10.310 -8.298 -7.623 503 H ALA 61 H ALA 61 -8.633 -6.208 -7.672 504 HA ALA 61 HA ALA 61 -10.001 -3.897 -7.127 505 1HB ALA 61 1HB ALA 61 -7.169 -4.728 -6.829 506 2HB ALA 61 2HB ALA 61 -7.554 -3.021 -6.605 507 3HB ALA 61 3HB ALA 61 -8.340 -4.242 -5.604 508 H MET 62 H MET 62 -7.426 -4.378 -9.523 509 HA MET 62 HA MET 62 -7.434 -1.699 -10.452 510 1HB MET 62 1HB MET 62 -6.403 -4.270 -11.640 511 2HB MET 62 2HB MET 62 -6.241 -2.724 -12.461 512 1HG MET 62 1HG MET 62 -5.090 -1.900 -10.350 513 2HG MET 62 2HG MET 62 -5.006 -3.595 -9.872 514 1HE MET 62 1HE MET 62 -3.766 -5.459 -11.302 515 2HE MET 62 2HE MET 62 -4.609 -4.975 -12.774 516 3HE MET 62 3HE MET 62 -2.851 -5.127 -12.773 517 H GLN 63 H GLN 63 -8.736 -4.689 -11.900 518 HA GLN 63 HA GLN 63 -9.982 -3.548 -14.092 519 1HB GLN 63 1HB GLN 63 -9.757 -6.027 -13.480 520 2HB GLN 63 2HB GLN 63 -11.207 -5.804 -12.511 521 1HG GLN 63 1HG GLN 63 -12.540 -5.399 -14.375 522 2HG GLN 63 2HG GLN 63 -11.153 -5.052 -15.407 523 1HE2 GLN 63 2HE2 GLN 63 -9.607 -6.946 -15.633 524 2HE2 GLN 63 1HE2 GLN 63 -10.330 -8.495 -15.894 525 H HIS 64 H HIS 64 -10.743 -3.314 -10.764 526 HA HIS 64 HA HIS 64 -13.497 -2.628 -11.048 527 1HB HIS 64 1HB HIS 64 -12.334 -3.540 -8.957 528 2HB HIS 64 2HB HIS 64 -11.739 -1.902 -8.714 529 HD1 HIS 64 HD1 HIS 64 -15.080 -3.673 -9.128 530 HD2 HIS 64 HD2 HIS 64 -13.422 -0.338 -7.285 531 HE1 HIS 64 HE1 HIS 64 -16.938 -2.660 -7.770 532 HE2 HIS 64 HE2 HIS 64 -15.881 -0.708 -6.580 533 H LEU 65 H LEU 65 -10.642 -0.695 -10.138 534 HA LEU 65 HA LEU 65 -11.963 1.790 -10.384 535 1HB LEU 65 1HB LEU 65 -9.137 0.898 -10.121 536 2HB LEU 65 2HB LEU 65 -9.425 2.538 -10.670 537 HG LEU 65 HG LEU 65 -10.474 1.372 -8.089 538 1HD1 LEU 65 1HD1 LEU 65 -7.905 2.450 -8.782 539 2HD1 LEU 65 2HD1 LEU 65 -8.706 3.486 -7.602 540 3HD1 LEU 65 3HD1 LEU 65 -8.461 1.776 -7.251 541 1HD2 LEU 65 1HD2 LEU 65 -11.860 3.162 -9.126 542 2HD2 LEU 65 2HD2 LEU 65 -11.177 3.600 -7.560 543 3HD2 LEU 65 3HD2 LEU 65 -10.459 4.231 -9.041 544 H ASP 66 H ASP 66 -10.566 -0.338 -12.691 545 HA ASP 66 HA ASP 66 -10.041 1.593 -14.728 546 1HB ASP 66 1HB ASP 66 -10.304 -1.406 -14.711 547 2HB ASP 66 2HB ASP 66 -10.097 -0.515 -16.216 548 H ARG 67 H ARG 67 -12.792 -0.421 -13.864 549 HA ARG 67 HA ARG 67 -14.297 0.452 -16.195 550 1HB ARG 67 1HB ARG 67 -14.355 -1.824 -14.553 551 2HB ARG 67 2HB ARG 67 -15.863 -0.978 -14.232 552 1HG ARG 67 1HG ARG 67 -16.116 -2.623 -16.009 553 2HG ARG 67 2HG ARG 67 -16.397 -0.984 -16.601 554 1HD ARG 67 1HD ARG 67 -14.132 -0.917 -17.510 555 2HD ARG 67 2HD ARG 67 -13.836 -2.547 -16.904 556 HE ARG 67 HE ARG 67 -16.102 -2.340 -18.669 557 1HH1 ARG 67 1HH1 ARG 67 -12.661 -2.817 -18.441 558 2HH1 ARG 67 2HH1 ARG 67 -12.541 -3.639 -19.962 559 1HH2 ARG 67 1HH2 ARG 67 -15.958 -3.418 -20.675 560 2HH2 ARG 67 2HH2 ARG 67 -14.417 -3.981 -21.232 561 H GLN 68 H GLN 68 -13.472 2.416 -14.198 562 HA GLN 68 HA GLN 68 -16.067 3.637 -13.785 563 1HB GLN 68 1HB GLN 68 -14.210 3.042 -11.475 564 2HB GLN 68 2HB GLN 68 -15.593 4.125 -11.386 565 1HG GLN 68 1HG GLN 68 -17.125 2.371 -11.666 566 2HG GLN 68 2HG GLN 68 -15.873 1.259 -12.216 567 1HE2 GLN 68 2HE2 GLN 68 -13.998 1.172 -10.480 568 2HE2 GLN 68 1HE2 GLN 68 -14.547 0.821 -8.881 569 H ALA 69 H ALA 69 -12.723 4.067 -12.612 570 HA ALA 69 HA ALA 69 -12.753 6.876 -12.882 571 1HB ALA 69 1HB ALA 69 -11.013 4.963 -11.832 572 2HB ALA 69 2HB ALA 69 -10.091 5.795 -13.084 573 3HB ALA 69 3HB ALA 69 -10.832 6.716 -11.776 574 H ALA 70 H ALA 70 -12.575 4.451 -15.210 575 HA ALA 70 HA ALA 70 -10.970 5.946 -17.105 576 1HB ALA 70 1HB ALA 70 -11.133 3.365 -16.842 577 2HB ALA 70 2HB ALA 70 -12.578 3.534 -17.839 578 3HB ALA 70 3HB ALA 70 -11.014 4.070 -18.453 579 H ALA 71 H ALA 71 -13.762 6.737 -15.998 580 HA ALA 71 HA ALA 71 -14.648 8.001 -18.388 581 1HB ALA 71 1HB ALA 71 -16.344 5.794 -17.238 582 2HB ALA 71 2HB ALA 71 -16.916 6.985 -18.407 583 3HB ALA 71 3HB ALA 71 -15.631 5.861 -18.849 584 H LEU 72 H LEU 72 -13.831 8.795 -15.762 585 HA LEU 72 HA LEU 72 -14.385 10.373 -14.218 586 1HB LEU 72 1HB LEU 72 -16.409 10.704 -16.304 587 2HB LEU 72 2HB LEU 72 -16.959 11.216 -14.720 588 HG LEU 72 HG LEU 72 -16.084 13.161 -15.671 589 1HD1 LEU 72 1HD1 LEU 72 -15.065 12.323 -13.392 590 2HD1 LEU 72 2HD1 LEU 72 -13.573 12.299 -14.332 591 3HD1 LEU 72 3HD1 LEU 72 -14.488 13.798 -14.166 592 1HD2 LEU 72 1HD2 LEU 72 -14.334 11.306 -17.052 593 2HD2 LEU 72 2HD2 LEU 72 -14.876 12.917 -17.525 594 3HD2 LEU 72 3HD2 LEU 72 -13.476 12.732 -16.468 595 H THR 73 H THR 73 -17.641 9.109 -14.860 596 HA THR 73 HA THR 73 -18.566 8.936 -12.318 597 HB THR 73 HB THR 73 -20.165 8.392 -13.888 598 HG1 THR 73 HG1 THR 73 -20.555 6.040 -13.642 599 1HG2 THR 73 1HG2 THR 73 -18.084 6.670 -15.151 600 2HG2 THR 73 2HG2 THR 73 -19.795 6.387 -15.477 601 3HG2 THR 73 3HG2 THR 73 -19.070 7.948 -15.862 602 H ARG 74 H ARG 74 -17.296 8.272 -10.672 603 HA ARG 74 HA ARG 74 -15.632 5.947 -10.834 604 1HB ARG 74 1HB ARG 74 -16.414 7.754 -8.549 605 2HB ARG 74 2HB ARG 74 -15.343 6.375 -8.350 606 1HG ARG 74 1HG ARG 74 -13.606 7.401 -9.358 607 2HG ARG 74 2HG ARG 74 -14.637 8.268 -10.497 608 1HD ARG 74 1HD ARG 74 -14.238 8.941 -7.583 609 2HD ARG 74 2HD ARG 74 -13.554 9.810 -8.953 610 HE ARG 74 HE ARG 74 -15.654 10.708 -9.420 611 1HH1 ARG 74 1HH1 ARG 74 -15.794 8.509 -6.712 612 2HH1 ARG 74 2HH1 ARG 74 -17.348 9.062 -6.186 613 1HH2 ARG 74 1HH2 ARG 74 -17.700 11.430 -8.730 614 2HH2 ARG 74 2HH2 ARG 74 -18.432 10.716 -7.332 615 H ASN 75 H ASN 75 -18.846 6.649 -9.677 616 HA ASN 75 HA ASN 75 -19.184 3.795 -9.043 617 1HB ASN 75 1HB ASN 75 -19.042 5.143 -6.956 618 2HB ASN 75 2HB ASN 75 -20.431 6.078 -7.497 619 1HD2 ASN 75 2HD2 ASN 75 -19.694 2.610 -7.536 620 2HD2 ASN 75 1HD2 ASN 75 -21.110 2.127 -6.672 621 H GLY 76 H GLY 76 -20.579 2.945 -10.430 622 1HA GLY 76 1HA GLY 76 -22.859 2.748 -11.175 623 2HA GLY 76 2HA GLY 76 -22.980 4.501 -11.131 Start of MODEL 17 1 2H MET 0 2H MET 0 22.240 9.972 -2.099 2 3H MET 0 3H MET 0 21.507 8.686 -1.229 3 1H MET 0 1H MET 0 20.624 9.517 -2.445 4 HA MET 0 HA MET 0 20.267 10.030 0.034 5 1HB MET 0 1HB MET 0 22.862 11.321 -0.710 6 2HB MET 0 2HB MET 0 21.785 12.155 0.401 7 1HG MET 0 1HG MET 0 21.803 10.170 1.861 8 2HG MET 0 2HG MET 0 22.957 9.409 0.768 9 1HE MET 0 1HE MET 0 22.811 10.029 3.785 10 2HE MET 0 2HE MET 0 24.362 10.669 4.328 11 3HE MET 0 3HE MET 0 22.986 11.752 4.119 12 H GLN 1 H GLN 1 18.335 10.686 -0.817 13 HA GLN 1 HA GLN 1 18.346 13.197 -2.358 14 1HB GLN 1 1HB GLN 1 16.913 10.696 -2.711 15 2HB GLN 1 2HB GLN 1 15.814 12.066 -2.626 16 1HG GLN 1 1HG GLN 1 18.139 12.497 -4.347 17 2HG GLN 1 2HG GLN 1 17.073 11.195 -4.872 18 1HE2 GLN 1 2HE2 GLN 1 17.626 13.885 -5.989 19 2HE2 GLN 1 1HE2 GLN 1 16.079 14.637 -6.145 20 H HIS 2 H HIS 2 18.592 14.014 -0.024 21 HA HIS 2 HA HIS 2 17.669 15.324 1.598 22 1HB HIS 2 1HB HIS 2 16.004 15.825 -0.319 23 2HB HIS 2 2HB HIS 2 14.919 14.732 0.534 24 HD1 HIS 2 HD1 HIS 2 14.184 17.688 0.197 25 HD2 HIS 2 HD2 HIS 2 16.172 16.153 3.507 26 HE1 HIS 2 HE1 HIS 2 13.738 19.314 2.063 27 HE2 HIS 2 HE2 HIS 2 15.021 18.408 4.033 28 H HIS 3 H HIS 3 15.104 12.906 1.069 29 HA HIS 3 HA HIS 3 15.719 11.761 3.699 30 1HB HIS 3 1HB HIS 3 13.221 13.093 2.855 31 2HB HIS 3 2HB HIS 3 13.013 11.553 3.683 32 HD1 HIS 3 HD1 HIS 3 12.144 14.282 4.923 33 HD2 HIS 3 HD2 HIS 3 15.731 12.336 5.705 34 HE1 HIS 3 HE1 HIS 3 12.904 15.146 7.158 35 HE2 HIS 3 HE2 HIS 3 15.025 13.880 7.655 36 H GLY 4 H GLY 4 15.855 9.615 3.650 37 1HA GLY 4 1HA GLY 4 15.023 7.451 3.100 38 2HA GLY 4 2HA GLY 4 14.293 8.131 1.653 39 H VAL 5 H VAL 5 16.793 6.282 2.807 40 HA VAL 5 HA VAL 5 18.339 6.696 0.332 41 HB VAL 5 HB VAL 5 20.368 6.008 1.547 42 1HG1 VAL 5 1HG1 VAL 5 19.238 8.461 1.488 43 2HG1 VAL 5 2HG1 VAL 5 19.433 8.237 3.227 44 3HG1 VAL 5 3HG1 VAL 5 20.834 8.125 2.162 45 1HG2 VAL 5 1HG2 VAL 5 18.478 5.286 3.558 46 2HG2 VAL 5 2HG2 VAL 5 20.214 4.981 3.509 47 3HG2 VAL 5 3HG2 VAL 5 19.601 6.471 4.227 48 H THR 6 H THR 6 16.330 4.962 0.157 49 HA THR 6 HA THR 6 17.504 2.300 0.591 50 HB THR 6 HB THR 6 15.395 2.425 1.673 51 HG1 THR 6 HG1 THR 6 15.072 0.547 0.818 52 1HG2 THR 6 1HG2 THR 6 14.320 3.605 -0.872 53 2HG2 THR 6 2HG2 THR 6 13.311 2.997 0.440 54 3HG2 THR 6 3HG2 THR 6 14.394 4.360 0.721 55 H LYS 7 H LYS 7 17.055 4.594 -1.764 56 HA LYS 7 HA LYS 7 17.484 4.548 -4.006 57 1HB LYS 7 1HB LYS 7 18.588 2.133 -3.110 58 2HB LYS 7 2HB LYS 7 17.585 1.696 -4.487 59 1HG LYS 7 1HG LYS 7 18.791 3.112 -5.941 60 2HG LYS 7 2HG LYS 7 19.610 3.912 -4.597 61 1HD LYS 7 1HD LYS 7 19.926 0.968 -5.061 62 2HD LYS 7 2HD LYS 7 20.899 2.136 -5.956 63 1HE LYS 7 1HE LYS 7 22.277 1.769 -4.171 64 2HE LYS 7 2HE LYS 7 21.323 3.112 -3.543 65 1HZ LYS 7 1HZ LYS 7 20.413 0.360 -3.063 66 2HZ LYS 7 2HZ LYS 7 21.673 0.984 -2.123 67 3HZ LYS 7 3HZ LYS 7 20.163 1.751 -2.133 68 H CYS 8 H CYS 8 14.909 4.666 -3.075 69 HA CYS 8 HA CYS 8 13.287 4.452 -5.179 70 1HB CYS 8 1HB CYS 8 13.629 2.167 -5.608 71 2HB CYS 8 2HB CYS 8 13.559 1.744 -3.901 72 H ASN 9 H ASN 9 11.806 5.814 -4.435 73 HA ASN 9 HA ASN 9 11.138 6.421 -1.876 74 1HB ASN 9 1HB ASN 9 9.103 7.402 -2.701 75 2HB ASN 9 2HB ASN 9 10.342 7.609 -3.935 76 1HD2 ASN 9 2HD2 ASN 9 9.973 6.852 -5.920 77 2HD2 ASN 9 1HD2 ASN 9 8.609 5.898 -6.381 78 H ILE 10 H ILE 10 9.520 3.973 -3.886 79 HA ILE 10 HA ILE 10 8.595 2.679 -1.413 80 HB ILE 10 HB ILE 10 6.708 3.912 -2.397 81 1HG1 ILE 10 1HG1 ILE 10 6.084 1.048 -2.939 82 2HG1 ILE 10 2HG1 ILE 10 6.664 1.476 -1.332 83 1HG2 ILE 10 1HG2 ILE 10 7.779 3.097 -4.819 84 2HG2 ILE 10 2HG2 ILE 10 6.290 2.163 -4.666 85 3HG2 ILE 10 3HG2 ILE 10 6.240 3.924 -4.574 86 1HD1 ILE 10 1HD1 ILE 10 4.844 3.153 -1.196 87 2HD1 ILE 10 2HD1 ILE 10 4.222 2.530 -2.724 88 3HD1 ILE 10 3HD1 ILE 10 4.286 1.484 -1.306 89 H THR 11 H THR 11 9.729 0.840 -1.371 90 HA THR 11 HA THR 11 10.062 -0.669 -3.871 91 HB THR 11 HB THR 11 12.049 0.052 -2.334 92 HG1 THR 11 HG1 THR 11 11.770 -2.609 -3.270 93 1HG2 THR 11 1HG2 THR 11 10.962 -0.998 -0.290 94 2HG2 THR 11 2HG2 THR 11 11.419 -2.550 -0.992 95 3HG2 THR 11 3HG2 THR 11 12.661 -1.366 -0.587 96 H CYS 12 H CYS 12 9.274 -2.701 -4.091 97 HA CYS 12 HA CYS 12 7.268 -3.558 -2.230 98 1HB CYS 12 1HB CYS 12 8.346 -4.787 -4.768 99 2HB CYS 12 2HB CYS 12 7.047 -5.505 -3.821 100 H SER 13 H SER 13 8.505 -3.931 -0.330 101 HA SER 13 HA SER 13 10.605 -5.879 -0.288 102 1HB SER 13 1HB SER 13 10.107 -5.686 2.283 103 2HB SER 13 2HB SER 13 10.845 -4.331 1.429 104 HG SER 13 HG SER 13 8.955 -3.253 1.474 105 H LYS 14 H LYS 14 7.268 -5.835 0.959 106 HA LYS 14 HA LYS 14 7.222 -8.763 0.690 107 1HB LYS 14 1HB LYS 14 5.472 -8.120 2.793 108 2HB LYS 14 2HB LYS 14 6.996 -8.991 2.899 109 1HG LYS 14 1HG LYS 14 7.314 -7.312 4.428 110 2HG LYS 14 2HG LYS 14 8.038 -6.605 2.982 111 1HD LYS 14 1HD LYS 14 6.031 -5.330 2.553 112 2HD LYS 14 2HD LYS 14 5.204 -6.117 3.898 113 1HE LYS 14 1HE LYS 14 6.675 -5.088 5.486 114 2HE LYS 14 2HE LYS 14 7.699 -4.452 4.197 115 1HZ LYS 14 1HZ LYS 14 4.862 -3.698 4.265 116 2HZ LYS 14 2HZ LYS 14 5.933 -2.945 5.336 117 3HZ LYS 14 3HZ LYS 14 6.188 -2.835 3.668 118 H MET 15 H MET 15 4.718 -9.404 1.193 119 HA MET 15 HA MET 15 3.145 -7.749 -0.671 120 1HB MET 15 1HB MET 15 2.627 -10.659 -0.091 121 2HB MET 15 2HB MET 15 2.045 -9.697 -1.442 122 1HG MET 15 1HG MET 15 4.976 -10.087 -1.106 123 2HG MET 15 2HG MET 15 3.999 -11.410 -1.741 124 1HE MET 15 1HE MET 15 5.165 -7.731 -2.208 125 2HE MET 15 2HE MET 15 6.333 -8.883 -2.854 126 3HE MET 15 3HE MET 15 5.492 -7.777 -3.941 127 H THR 16 H THR 16 1.259 -6.923 -0.008 128 HA THR 16 HA THR 16 0.514 -7.192 2.757 129 HB THR 16 HB THR 16 0.367 -5.030 1.577 130 HG1 THR 16 HG1 THR 16 -1.198 -4.560 2.872 131 1HG2 THR 16 1HG2 THR 16 -0.472 -6.091 -0.599 132 2HG2 THR 16 2HG2 THR 16 -2.067 -6.020 0.152 133 3HG2 THR 16 3HG2 THR 16 -1.147 -4.537 -0.107 134 H SER 17 H SER 17 -2.172 -7.103 2.856 135 HA SER 17 HA SER 17 -2.937 -9.754 1.843 136 1HB SER 17 1HB SER 17 -3.104 -8.637 4.409 137 2HB SER 17 2HB SER 17 -4.760 -8.649 3.805 138 HG SER 17 HG SER 17 -4.674 -10.663 4.435 139 H LYS 18 H LYS 18 -5.475 -9.902 1.668 140 HA LYS 18 HA LYS 18 -6.216 -8.283 -0.526 141 1HB LYS 18 1HB LYS 18 -7.193 -10.412 -0.487 142 2HB LYS 18 2HB LYS 18 -7.681 -10.259 1.196 143 1HG LYS 18 1HG LYS 18 -9.604 -9.216 0.684 144 2HG LYS 18 2HG LYS 18 -8.883 -8.308 -0.646 145 1HD LYS 18 1HD LYS 18 -10.498 -9.830 -1.556 146 2HD LYS 18 2HD LYS 18 -8.886 -10.399 -1.995 147 1HE LYS 18 1HE LYS 18 -10.314 -11.424 0.437 148 2HE LYS 18 2HE LYS 18 -10.577 -12.131 -1.158 149 1HZ LYS 18 1HZ LYS 18 -7.941 -12.154 -1.089 150 2HZ LYS 18 2HZ LYS 18 -8.237 -12.264 0.573 151 3HZ LYS 18 3HZ LYS 18 -8.873 -13.427 -0.478 152 H ILE 19 H ILE 19 -5.851 -6.158 0.442 153 HA ILE 19 HA ILE 19 -7.487 -5.186 2.551 154 HB ILE 19 HB ILE 19 -6.037 -3.624 0.409 155 1HG1 ILE 19 1HG1 ILE 19 -5.080 -4.005 3.227 156 2HG1 ILE 19 2HG1 ILE 19 -4.748 -5.235 2.012 157 1HG2 ILE 19 1HG2 ILE 19 -7.935 -2.565 1.869 158 2HG2 ILE 19 2HG2 ILE 19 -6.684 -2.550 3.111 159 3HG2 ILE 19 3HG2 ILE 19 -6.425 -1.695 1.590 160 1HD1 ILE 19 1HD1 ILE 19 -3.970 -2.339 1.779 161 2HD1 ILE 19 2HD1 ILE 19 -2.902 -3.641 2.306 162 3HD1 ILE 19 3HD1 ILE 19 -3.551 -3.641 0.665 163 HA PRO 20 HA PRO 20 -11.362 -4.513 0.550 164 1HB PRO 20 1HB PRO 20 -12.074 -2.203 1.913 165 2HB PRO 20 2HB PRO 20 -12.329 -3.848 2.501 166 1HG PRO 20 1HG PRO 20 -10.139 -1.921 3.148 167 2HG PRO 20 2HG PRO 20 -10.997 -3.047 4.217 168 1HD PRO 20 1HD PRO 20 -8.535 -3.588 3.326 169 2HD PRO 20 2HD PRO 20 -9.751 -4.872 3.498 170 H VAL 21 H VAL 21 -11.920 -3.547 -1.302 171 HA VAL 21 HA VAL 21 -10.229 -1.623 -2.523 172 HB VAL 21 HB VAL 21 -12.997 -1.945 -3.554 173 1HG1 VAL 21 1HG1 VAL 21 -10.586 -0.981 -4.520 174 2HG1 VAL 21 2HG1 VAL 21 -10.783 -2.537 -5.326 175 3HG1 VAL 21 3HG1 VAL 21 -12.041 -1.309 -5.462 176 1HG2 VAL 21 1HG2 VAL 21 -11.095 -4.202 -3.154 177 2HG2 VAL 21 2HG2 VAL 21 -12.855 -4.174 -3.043 178 3HG2 VAL 21 3HG2 VAL 21 -12.070 -4.154 -4.623 179 H ALA 22 H ALA 22 -12.972 -1.392 -0.467 180 HA ALA 22 HA ALA 22 -14.009 1.091 -1.210 181 1HB ALA 22 1HB ALA 22 -14.809 -0.698 0.542 182 2HB ALA 22 2HB ALA 22 -13.935 0.337 1.669 183 3HB ALA 22 3HB ALA 22 -15.258 1.000 0.707 184 H LEU 23 H LEU 23 -10.987 0.330 0.107 185 HA LEU 23 HA LEU 23 -10.619 3.047 1.164 186 1HB LEU 23 1HB LEU 23 -8.628 0.821 1.440 187 2HB LEU 23 2HB LEU 23 -8.822 2.250 2.438 188 HG LEU 23 HG LEU 23 -10.632 -0.163 2.380 189 1HD1 LEU 23 1HD1 LEU 23 -8.658 0.921 4.367 190 2HD1 LEU 23 2HD1 LEU 23 -9.924 -0.224 4.811 191 3HD1 LEU 23 3HD1 LEU 23 -8.702 -0.678 3.623 192 1HD2 LEU 23 1HD2 LEU 23 -11.447 2.403 2.841 193 2HD2 LEU 23 2HD2 LEU 23 -12.220 0.955 3.486 194 3HD2 LEU 23 3HD2 LEU 23 -11.048 1.839 4.464 195 H LEU 24 H LEU 24 -9.694 0.890 -1.373 196 HA LEU 24 HA LEU 24 -7.334 2.283 -2.177 197 1HB LEU 24 1HB LEU 24 -9.036 0.524 -3.927 198 2HB LEU 24 2HB LEU 24 -7.323 0.860 -4.078 199 HG LEU 24 HG LEU 24 -8.572 -0.705 -1.817 200 1HD1 LEU 24 1HD1 LEU 24 -8.722 -1.824 -4.032 201 2HD1 LEU 24 2HD1 LEU 24 -6.964 -1.730 -4.148 202 3HD1 LEU 24 3HD1 LEU 24 -7.713 -2.680 -2.864 203 1HD2 LEU 24 1HD2 LEU 24 -5.985 0.491 -2.188 204 2HD2 LEU 24 2HD2 LEU 24 -6.632 -0.366 -0.790 205 3HD2 LEU 24 3HD2 LEU 24 -5.844 -1.264 -2.087 206 H ILE 25 H ILE 25 -7.053 3.788 -3.792 207 HA ILE 25 HA ILE 25 -9.496 4.890 -5.011 208 HB ILE 25 HB ILE 25 -8.831 7.118 -4.630 209 1HG1 ILE 25 1HG1 ILE 25 -6.206 6.041 -3.575 210 2HG1 ILE 25 2HG1 ILE 25 -6.436 6.832 -5.131 211 1HG2 ILE 25 1HG2 ILE 25 -8.530 5.347 -2.242 212 2HG2 ILE 25 2HG2 ILE 25 -8.333 7.093 -2.083 213 3HG2 ILE 25 3HG2 ILE 25 -9.854 6.427 -2.677 214 1HD1 ILE 25 1HD1 ILE 25 -7.455 8.640 -3.309 215 2HD1 ILE 25 2HD1 ILE 25 -6.026 7.980 -2.515 216 3HD1 ILE 25 3HD1 ILE 25 -5.887 8.718 -4.111 217 H HIS 26 H HIS 26 -6.010 4.432 -5.209 218 HA HIS 26 HA HIS 26 -6.179 4.352 -8.095 219 1HB HIS 26 1HB HIS 26 -5.031 6.648 -6.644 220 2HB HIS 26 2HB HIS 26 -4.011 5.989 -7.920 221 HD1 HIS 26 HD1 HIS 26 -6.607 5.224 -9.715 222 HD2 HIS 26 HD2 HIS 26 -5.592 8.940 -8.158 223 HE1 HIS 26 HE1 HIS 26 -7.766 6.907 -11.181 224 HE2 HIS 26 HE2 HIS 26 -7.072 9.150 -10.268 225 H TYR 27 H TYR 27 -4.472 3.265 -9.064 226 HA TYR 27 HA TYR 27 -2.435 2.159 -7.250 227 1HB TYR 27 1HB TYR 27 -2.688 -0.019 -8.149 228 2HB TYR 27 2HB TYR 27 -4.321 0.544 -7.810 229 HD1 TYR 27 HD1 TYR 27 -5.740 1.385 -9.723 230 HD2 TYR 27 HD2 TYR 27 -2.038 -0.640 -10.335 231 HE1 TYR 27 HE1 TYR 27 -6.385 0.920 -12.056 232 HE2 TYR 27 HE2 TYR 27 -2.673 -1.110 -12.667 233 HH TYR 27 HH TYR 27 -4.327 0.074 -14.401 234 H GLN 28 H GLN 28 -0.437 1.579 -8.237 235 HA GLN 28 HA GLN 28 -0.028 2.466 -10.988 236 1HB GLN 28 1HB GLN 28 2.228 3.459 -9.811 237 2HB GLN 28 2HB GLN 28 0.825 4.416 -10.265 238 1HG GLN 28 1HG GLN 28 0.576 3.171 -7.648 239 2HG GLN 28 2HG GLN 28 1.938 4.283 -7.772 240 1HE2 GLN 28 2HE2 GLN 28 -0.021 4.914 -6.063 241 2HE2 GLN 28 1HE2 GLN 28 -0.971 6.224 -6.666 242 H GLN 29 H GLN 29 2.226 1.916 -11.750 243 HA GLN 29 HA GLN 29 2.793 -0.814 -10.978 244 1HB GLN 29 1HB GLN 29 2.999 0.662 -13.348 245 2HB GLN 29 2HB GLN 29 4.659 0.314 -12.883 246 1HG GLN 29 1HG GLN 29 4.308 -1.585 -14.013 247 2HG GLN 29 2HG GLN 29 3.545 -2.108 -12.513 248 1HE2 GLN 29 2HE2 GLN 29 1.167 -0.874 -12.528 249 2HE2 GLN 29 1HE2 GLN 29 0.220 -1.374 -13.884 250 H ASN 30 H ASN 30 5.193 -1.445 -10.865 251 HA ASN 30 HA ASN 30 6.537 0.438 -9.041 252 1HB ASN 30 1HB ASN 30 5.864 -1.675 -7.980 253 2HB ASN 30 2HB ASN 30 6.782 -2.576 -9.183 254 1HD2 ASN 30 2HD2 ASN 30 7.858 -3.478 -7.314 255 2HD2 ASN 30 1HD2 ASN 30 9.175 -2.618 -6.599 256 H GLN 31 H GLN 31 8.764 0.768 -9.220 257 HA GLN 31 HA GLN 31 9.785 0.602 -11.891 258 1HB GLN 31 1HB GLN 31 10.680 1.791 -9.318 259 2HB GLN 31 2HB GLN 31 11.921 1.444 -10.513 260 1HG GLN 31 1HG GLN 31 11.387 3.239 -11.688 261 2HG GLN 31 2HG GLN 31 9.689 2.767 -11.745 262 1HE2 GLN 31 2HE2 GLN 31 8.271 3.940 -10.644 263 2HE2 GLN 31 1HE2 GLN 31 8.662 5.149 -9.472 264 H ALA 32 H ALA 32 11.425 -0.657 -12.688 265 HA ALA 32 HA ALA 32 11.802 -3.207 -11.504 266 1HB ALA 32 1HB ALA 32 13.023 -1.836 -13.879 267 2HB ALA 32 2HB ALA 32 13.536 -3.443 -13.367 268 3HB ALA 32 3HB ALA 32 11.863 -3.162 -13.845 269 H SER 33 H SER 33 13.183 -0.278 -10.764 270 HA SER 33 HA SER 33 15.707 -1.495 -9.876 271 1HB SER 33 1HB SER 33 16.754 0.496 -10.221 272 2HB SER 33 2HB SER 33 15.393 0.782 -11.305 273 HG SER 33 HG SER 33 16.078 2.149 -9.139 274 H CYS 34 H CYS 34 12.938 -1.535 -8.600 275 HA CYS 34 HA CYS 34 13.601 -0.244 -6.046 276 1HB CYS 34 1HB CYS 34 11.012 -1.096 -7.306 277 2HB CYS 34 2HB CYS 34 11.120 -0.867 -5.565 278 H GLY 35 H GLY 35 11.430 -2.972 -6.523 279 1HA GLY 35 1HA GLY 35 13.324 -4.798 -5.259 280 2HA GLY 35 2HA GLY 35 11.855 -4.446 -4.363 281 H LYS 36 H LYS 36 10.421 -6.021 -4.548 282 HA LYS 36 HA LYS 36 10.513 -7.966 -6.622 283 1HB LYS 36 1HB LYS 36 8.279 -7.437 -4.664 284 2HB LYS 36 2HB LYS 36 8.544 -8.916 -5.568 285 1HG LYS 36 1HG LYS 36 10.850 -8.854 -4.327 286 2HG LYS 36 2HG LYS 36 9.957 -7.856 -3.183 287 1HD LYS 36 1HD LYS 36 8.240 -9.653 -3.053 288 2HD LYS 36 2HD LYS 36 9.278 -10.659 -4.067 289 1HE LYS 36 1HE LYS 36 11.057 -10.010 -2.200 290 2HE LYS 36 2HE LYS 36 9.592 -9.848 -1.231 291 1HZ LYS 36 1HZ LYS 36 9.349 -12.219 -2.640 292 2HZ LYS 36 2HZ LYS 36 10.932 -12.199 -2.040 293 3HZ LYS 36 3HZ LYS 36 9.623 -12.035 -0.981 294 H ARG 37 H ARG 37 9.101 -8.323 -8.331 295 HA ARG 37 HA ARG 37 8.003 -5.978 -9.536 296 1HB ARG 37 1HB ARG 37 7.569 -8.837 -10.401 297 2HB ARG 37 2HB ARG 37 7.441 -7.392 -11.393 298 1HG ARG 37 1HG ARG 37 9.955 -7.083 -10.738 299 2HG ARG 37 2HG ARG 37 9.867 -8.816 -10.421 300 1HD ARG 37 1HD ARG 37 8.646 -8.689 -12.828 301 2HD ARG 37 2HD ARG 37 9.775 -7.344 -12.970 302 HE ARG 37 HE ARG 37 11.052 -9.691 -11.986 303 1HH1 ARG 37 1HH1 ARG 37 9.859 -8.170 -14.881 304 2HH1 ARG 37 2HH1 ARG 37 10.955 -9.005 -15.929 305 1HH2 ARG 37 1HH2 ARG 37 12.503 -10.798 -13.356 306 2HH2 ARG 37 2HH2 ARG 37 12.460 -10.500 -15.062 307 H ALA 38 H ALA 38 6.436 -5.297 -7.996 308 HA ALA 38 HA ALA 38 3.944 -6.862 -8.121 309 1HB ALA 38 1HB ALA 38 5.254 -6.791 -5.864 310 2HB ALA 38 2HB ALA 38 4.547 -5.182 -5.730 311 3HB ALA 38 3HB ALA 38 3.502 -6.595 -5.878 312 H ILE 39 H ILE 39 2.201 -5.174 -6.957 313 HA ILE 39 HA ILE 39 2.289 -2.805 -8.708 314 HB ILE 39 HB ILE 39 -0.088 -4.326 -7.636 315 1HG1 ILE 39 1HG1 ILE 39 1.353 -5.063 -9.721 316 2HG1 ILE 39 2HG1 ILE 39 -0.404 -5.151 -9.767 317 1HG2 ILE 39 1HG2 ILE 39 0.016 -1.759 -9.208 318 2HG2 ILE 39 2HG2 ILE 39 -1.441 -2.723 -8.968 319 3HG2 ILE 39 3HG2 ILE 39 -0.629 -1.990 -7.584 320 1HD1 ILE 39 1HD1 ILE 39 -0.440 -2.967 -10.916 321 2HD1 ILE 39 2HD1 ILE 39 1.324 -2.990 -10.945 322 3HD1 ILE 39 3HD1 ILE 39 0.410 -4.221 -11.820 323 H ILE 40 H ILE 40 1.272 -0.851 -7.893 324 HA ILE 40 HA ILE 40 1.613 -0.591 -4.980 325 HB ILE 40 HB ILE 40 1.588 1.673 -6.968 326 1HG1 ILE 40 1HG1 ILE 40 3.423 0.283 -7.637 327 2HG1 ILE 40 2HG1 ILE 40 4.096 1.625 -6.716 328 1HG2 ILE 40 1HG2 ILE 40 1.599 1.539 -4.146 329 2HG2 ILE 40 2HG2 ILE 40 3.186 2.120 -4.654 330 3HG2 ILE 40 3HG2 ILE 40 1.729 2.966 -5.175 331 1HD1 ILE 40 1HD1 ILE 40 3.552 -0.469 -4.899 332 2HD1 ILE 40 2HD1 ILE 40 4.400 -1.157 -6.283 333 3HD1 ILE 40 3HD1 ILE 40 5.113 0.188 -5.390 334 H LEU 41 H LEU 41 -0.085 -0.085 -3.743 335 HA LEU 41 HA LEU 41 -2.548 0.819 -5.086 336 1HB LEU 41 1HB LEU 41 -2.156 -1.059 -2.772 337 2HB LEU 41 2HB LEU 41 -3.696 -0.278 -3.075 338 HG LEU 41 HG LEU 41 -2.262 -2.147 -4.967 339 1HD1 LEU 41 1HD1 LEU 41 -4.752 -2.509 -3.306 340 2HD1 LEU 41 2HD1 LEU 41 -4.141 -3.652 -4.502 341 3HD1 LEU 41 3HD1 LEU 41 -3.199 -3.306 -3.051 342 1HD2 LEU 41 1HD2 LEU 41 -4.792 -0.549 -5.211 343 2HD2 LEU 41 2HD2 LEU 41 -3.437 -0.653 -6.334 344 3HD2 LEU 41 3HD2 LEU 41 -4.530 -2.025 -6.142 345 H GLU 42 H GLU 42 -3.252 2.759 -4.517 346 HA GLU 42 HA GLU 42 -2.306 3.909 -1.978 347 1HB GLU 42 1HB GLU 42 -1.536 5.106 -3.983 348 2HB GLU 42 2HB GLU 42 -3.205 5.329 -4.491 349 1HG GLU 42 1HG GLU 42 -3.486 6.500 -2.199 350 2HG GLU 42 2HG GLU 42 -1.728 6.618 -2.239 351 H THR 43 H THR 43 -3.756 4.394 -0.452 352 HA THR 43 HA THR 43 -6.604 4.183 -1.159 353 HB THR 43 HB THR 43 -7.035 3.624 1.121 354 HG1 THR 43 HG1 THR 43 -5.410 3.729 2.690 355 1HG2 THR 43 1HG2 THR 43 -4.575 2.243 0.104 356 2HG2 THR 43 2HG2 THR 43 -5.396 1.765 1.590 357 3HG2 THR 43 3HG2 THR 43 -6.249 1.690 0.048 358 H ARG 44 H ARG 44 -8.104 5.578 0.110 359 HA ARG 44 HA ARG 44 -7.615 8.277 -0.350 360 1HB ARG 44 1HB ARG 44 -9.550 7.144 1.678 361 2HB ARG 44 2HB ARG 44 -9.644 8.716 0.893 362 1HG ARG 44 1HG ARG 44 -10.047 7.666 -1.245 363 2HG ARG 44 2HG ARG 44 -9.846 6.067 -0.525 364 1HD ARG 44 1HD ARG 44 -12.028 8.071 0.019 365 2HD ARG 44 2HD ARG 44 -12.187 6.486 -0.737 366 HE ARG 44 HE ARG 44 -11.115 6.121 1.813 367 1HH1 ARG 44 1HH1 ARG 44 -14.069 7.214 0.331 368 2HH1 ARG 44 2HH1 ARG 44 -15.073 6.707 1.649 369 1HH2 ARG 44 1HH2 ARG 44 -12.424 5.451 3.558 370 2HH2 ARG 44 2HH2 ARG 44 -14.137 5.708 3.485 371 H GLN 45 H GLN 45 -6.516 6.302 2.194 372 HA GLN 45 HA GLN 45 -5.960 8.629 3.900 373 1HB GLN 45 1HB GLN 45 -5.563 5.742 4.662 374 2HB GLN 45 2HB GLN 45 -5.692 7.137 5.724 375 1HG GLN 45 1HG GLN 45 -8.002 7.313 5.401 376 2HG GLN 45 2HG GLN 45 -7.968 6.276 3.975 377 1HE2 GLN 45 2HE2 GLN 45 -8.539 4.241 4.245 378 2HE2 GLN 45 1HE2 GLN 45 -8.587 3.391 5.748 379 H HIS 46 H HIS 46 -4.500 8.167 1.482 380 HA HIS 46 HA HIS 46 -2.381 7.974 0.660 381 1HB HIS 46 1HB HIS 46 -2.012 9.168 3.388 382 2HB HIS 46 2HB HIS 46 -0.611 8.811 2.386 383 HD1 HIS 46 HD1 HIS 46 -2.307 9.660 -0.289 384 HD2 HIS 46 HD2 HIS 46 -1.525 11.930 3.103 385 HE1 HIS 46 HE1 HIS 46 -2.507 12.057 -1.023 386 HE2 HIS 46 HE2 HIS 46 -2.116 13.410 1.066 387 H ARG 47 H ARG 47 -3.233 5.522 1.240 388 HA ARG 47 HA ARG 47 -1.112 4.240 2.819 389 1HB ARG 47 1HB ARG 47 -3.563 3.777 3.316 390 2HB ARG 47 2HB ARG 47 -3.619 2.935 1.774 391 1HG ARG 47 1HG ARG 47 -1.506 1.712 2.844 392 2HG ARG 47 2HG ARG 47 -2.371 2.137 4.322 393 1HD ARG 47 1HD ARG 47 -3.666 0.738 1.993 394 2HD ARG 47 2HD ARG 47 -2.917 -0.121 3.337 395 HE ARG 47 HE ARG 47 -5.482 1.064 3.320 396 1HH1 ARG 47 1HH1 ARG 47 -2.703 0.595 5.366 397 2HH1 ARG 47 2HH1 ARG 47 -3.616 0.657 6.838 398 1HH2 ARG 47 1HH2 ARG 47 -6.692 1.145 5.251 399 2HH2 ARG 47 2HH2 ARG 47 -5.883 0.968 6.773 400 H LEU 48 H LEU 48 0.590 3.758 1.588 401 HA LEU 48 HA LEU 48 0.134 2.723 -1.125 402 1HB LEU 48 1HB LEU 48 2.671 3.798 0.109 403 2HB LEU 48 2HB LEU 48 2.480 3.276 -1.554 404 HG LEU 48 HG LEU 48 1.124 5.648 -0.269 405 1HD1 LEU 48 1HD1 LEU 48 3.651 5.643 -0.945 406 2HD1 LEU 48 2HD1 LEU 48 3.003 5.788 -2.579 407 3HD1 LEU 48 3HD1 LEU 48 2.615 7.007 -1.365 408 1HD2 LEU 48 1HD2 LEU 48 -0.194 4.369 -2.029 409 2HD2 LEU 48 2HD2 LEU 48 0.076 6.086 -2.326 410 3HD2 LEU 48 3HD2 LEU 48 1.047 4.882 -3.172 411 H PHE 49 H PHE 49 0.094 0.575 -1.214 412 HA PHE 49 HA PHE 49 2.142 -0.919 0.276 413 1HB PHE 49 1HB PHE 49 -0.814 -1.422 0.156 414 2HB PHE 49 2HB PHE 49 0.301 -2.763 0.395 415 HD1 PHE 49 HD1 PHE 49 -0.396 0.642 1.754 416 HD2 PHE 49 HD2 PHE 49 0.837 -3.362 2.549 417 HE1 PHE 49 HE1 PHE 49 -0.315 1.151 4.163 418 HE2 PHE 49 HE2 PHE 49 0.921 -2.860 4.962 419 HZ PHE 49 HZ PHE 49 0.344 -0.602 5.771 420 H CYS 50 H CYS 50 2.954 -2.763 -0.733 421 HA CYS 50 HA CYS 50 2.621 -2.786 -3.618 422 1HB CYS 50 1HB CYS 50 4.628 -3.851 -1.696 423 2HB CYS 50 2HB CYS 50 4.452 -4.691 -3.233 424 H ALA 51 H ALA 51 0.925 -3.900 -4.351 425 HA ALA 51 HA ALA 51 0.298 -6.494 -3.113 426 1HB ALA 51 1HB ALA 51 -1.473 -4.691 -3.211 427 2HB ALA 51 2HB ALA 51 -1.496 -4.938 -4.958 428 3HB ALA 51 3HB ALA 51 -1.925 -6.262 -3.873 429 H ASP 52 H ASP 52 1.164 -8.159 -4.157 430 HA ASP 52 HA ASP 52 2.226 -8.131 -6.728 431 1HB ASP 52 1HB ASP 52 1.867 -10.043 -4.638 432 2HB ASP 52 2HB ASP 52 1.356 -10.781 -6.154 433 HA PRO 53 HA PRO 53 -1.312 -8.025 -9.393 434 1HB PRO 53 1HB PRO 53 0.480 -9.589 -11.182 435 2HB PRO 53 2HB PRO 53 -0.415 -8.100 -11.508 436 1HG PRO 53 1HG PRO 53 2.218 -8.047 -11.115 437 2HG PRO 53 2HG PRO 53 1.173 -6.763 -10.480 438 1HD PRO 53 1HD PRO 53 2.476 -9.034 -9.044 439 2HD PRO 53 2HD PRO 53 2.182 -7.370 -8.497 440 H LYS 54 H LYS 54 0.566 -11.039 -9.165 441 HA LYS 54 HA LYS 54 -1.239 -12.847 -10.155 442 1HB LYS 54 1HB LYS 54 1.050 -12.937 -8.378 443 2HB LYS 54 2HB LYS 54 -0.152 -14.136 -7.926 444 1HG LYS 54 1HG LYS 54 0.074 -14.295 -10.712 445 2HG LYS 54 2HG LYS 54 1.721 -14.166 -10.092 446 1HD LYS 54 1HD LYS 54 1.405 -16.438 -9.985 447 2HD LYS 54 2HD LYS 54 0.872 -15.961 -8.373 448 1HE LYS 54 1HE LYS 54 -1.229 -15.888 -10.413 449 2HE LYS 54 2HE LYS 54 -0.565 -17.494 -10.113 450 1HZ LYS 54 1HZ LYS 54 -0.933 -16.947 -7.670 451 2HZ LYS 54 2HZ LYS 54 -1.918 -15.683 -8.211 452 3HZ LYS 54 3HZ LYS 54 -2.304 -17.283 -8.602 453 H GLU 55 H GLU 55 -1.456 -11.018 -7.242 454 HA GLU 55 HA GLU 55 -3.356 -12.697 -5.919 455 1HB GLU 55 1HB GLU 55 -2.984 -9.758 -5.395 456 2HB GLU 55 2HB GLU 55 -3.489 -11.012 -4.272 457 1HG GLU 55 1HG GLU 55 -1.361 -11.749 -3.912 458 2HG GLU 55 2HG GLU 55 -0.793 -11.227 -5.498 459 H GLN 56 H GLN 56 -5.490 -12.801 -6.183 460 HA GLN 56 HA GLN 56 -6.798 -11.605 -8.339 461 1HB GLN 56 1HB GLN 56 -7.453 -13.691 -7.000 462 2HB GLN 56 2HB GLN 56 -8.217 -12.581 -5.871 463 1HG GLN 56 1HG GLN 56 -8.929 -13.134 -8.727 464 2HG GLN 56 2HG GLN 56 -9.935 -13.281 -7.286 465 1HE2 GLN 56 2HE2 GLN 56 -8.591 -11.118 -9.640 466 2HE2 GLN 56 1HE2 GLN 56 -9.553 -9.742 -9.230 467 H TRP 57 H TRP 57 -7.020 -10.801 -4.870 468 HA TRP 57 HA TRP 57 -8.864 -8.789 -4.953 469 1HB TRP 57 1HB TRP 57 -8.158 -8.191 -2.851 470 2HB TRP 57 2HB TRP 57 -7.404 -9.776 -2.980 471 HD1 TRP 57 HD1 TRP 57 -4.704 -9.718 -3.710 472 HE1 TRP 57 HE1 TRP 57 -2.893 -8.026 -3.008 473 HE3 TRP 57 HE3 TRP 57 -7.727 -5.864 -2.231 474 HZ2 TRP 57 HZ2 TRP 57 -2.766 -5.402 -1.963 475 HZ3 TRP 57 HZ3 TRP 57 -6.684 -3.795 -1.392 476 HH2 TRP 57 HH2 TRP 57 -4.252 -3.570 -1.261 477 H VAL 58 H VAL 58 -5.680 -8.741 -6.283 478 HA VAL 58 HA VAL 58 -5.621 -5.843 -6.520 479 HB VAL 58 HB VAL 58 -3.697 -7.972 -7.461 480 1HG1 VAL 58 1HG1 VAL 58 -3.828 -5.062 -8.022 481 2HG1 VAL 58 2HG1 VAL 58 -2.244 -5.760 -7.683 482 3HG1 VAL 58 3HG1 VAL 58 -3.215 -6.382 -9.018 483 1HG2 VAL 58 1HG2 VAL 58 -3.720 -6.029 -5.171 484 2HG2 VAL 58 2HG2 VAL 58 -3.515 -7.782 -5.133 485 3HG2 VAL 58 3HG2 VAL 58 -2.226 -6.755 -5.760 486 H LYS 59 H LYS 59 -5.796 -8.669 -8.674 487 HA LYS 59 HA LYS 59 -5.924 -7.273 -11.096 488 1HB LYS 59 1HB LYS 59 -7.173 -9.927 -10.362 489 2HB LYS 59 2HB LYS 59 -6.972 -9.326 -12.001 490 1HG LYS 59 1HG LYS 59 -4.466 -9.181 -11.382 491 2HG LYS 59 2HG LYS 59 -4.903 -10.283 -10.074 492 1HD LYS 59 1HD LYS 59 -5.884 -11.815 -11.750 493 2HD LYS 59 2HD LYS 59 -5.321 -10.736 -13.025 494 1HE LYS 59 1HE LYS 59 -3.177 -11.366 -11.212 495 2HE LYS 59 2HE LYS 59 -3.918 -12.841 -11.830 496 1HZ LYS 59 1HZ LYS 59 -3.709 -11.364 -14.055 497 2HZ LYS 59 2HZ LYS 59 -2.336 -10.856 -13.211 498 3HZ LYS 59 3HZ LYS 59 -2.555 -12.496 -13.556 499 H ASP 60 H ASP 60 -8.478 -8.305 -8.874 500 HA ASP 60 HA ASP 60 -10.597 -7.257 -10.499 501 1HB ASP 60 1HB ASP 60 -10.365 -8.659 -7.924 502 2HB ASP 60 2HB ASP 60 -11.677 -7.488 -7.988 503 H ALA 61 H ALA 61 -9.014 -6.252 -7.478 504 HA ALA 61 HA ALA 61 -10.473 -3.975 -6.970 505 1HB ALA 61 1HB ALA 61 -7.553 -4.505 -6.461 506 2HB ALA 61 2HB ALA 61 -8.441 -3.137 -5.794 507 3HB ALA 61 3HB ALA 61 -8.900 -4.783 -5.357 508 H MET 62 H MET 62 -7.703 -4.391 -9.122 509 HA MET 62 HA MET 62 -7.477 -1.639 -9.804 510 1HB MET 62 1HB MET 62 -6.458 -4.152 -11.127 511 2HB MET 62 2HB MET 62 -6.113 -2.541 -11.743 512 1HG MET 62 1HG MET 62 -5.147 -2.017 -9.472 513 2HG MET 62 2HG MET 62 -5.265 -3.742 -9.126 514 1HE MET 62 1HE MET 62 -4.466 -5.435 -11.209 515 2HE MET 62 2HE MET 62 -4.654 -4.336 -12.575 516 3HE MET 62 3HE MET 62 -3.082 -5.059 -12.237 517 H GLN 63 H GLN 63 -8.763 -4.432 -11.622 518 HA GLN 63 HA GLN 63 -9.669 -3.180 -13.868 519 1HB GLN 63 1HB GLN 63 -10.488 -5.560 -12.350 520 2HB GLN 63 2HB GLN 63 -11.765 -4.875 -13.347 521 1HG GLN 63 1HG GLN 63 -9.037 -5.463 -14.444 522 2HG GLN 63 2HG GLN 63 -10.306 -6.686 -14.376 523 1HE2 GLN 63 2HE2 GLN 63 -12.503 -5.690 -15.195 524 2HE2 GLN 63 1HE2 GLN 63 -12.391 -4.919 -16.737 525 H HIS 64 H HIS 64 -10.902 -2.940 -10.637 526 HA HIS 64 HA HIS 64 -13.389 -1.711 -11.341 527 1HB HIS 64 1HB HIS 64 -13.252 -2.882 -9.243 528 2HB HIS 64 2HB HIS 64 -11.884 -1.900 -8.729 529 HD1 HIS 64 HD1 HIS 64 -15.460 -2.134 -8.406 530 HD2 HIS 64 HD2 HIS 64 -12.677 0.950 -8.412 531 HE1 HIS 64 HE1 HIS 64 -16.627 -0.173 -7.348 532 HE2 HIS 64 HE2 HIS 64 -14.938 1.695 -7.401 533 H LEU 65 H LEU 65 -10.472 -0.467 -9.721 534 HA LEU 65 HA LEU 65 -11.087 2.206 -9.674 535 1HB LEU 65 1HB LEU 65 -8.415 0.883 -10.124 536 2HB LEU 65 2HB LEU 65 -8.608 2.593 -9.794 537 HG LEU 65 HG LEU 65 -9.660 0.515 -7.899 538 1HD1 LEU 65 1HD1 LEU 65 -7.168 0.261 -8.430 539 2HD1 LEU 65 2HD1 LEU 65 -6.971 1.805 -7.599 540 3HD1 LEU 65 3HD1 LEU 65 -7.641 0.419 -6.739 541 1HD2 LEU 65 1HD2 LEU 65 -9.018 3.443 -7.761 542 2HD2 LEU 65 2HD2 LEU 65 -10.534 2.623 -7.389 543 3HD2 LEU 65 3HD2 LEU 65 -9.153 2.455 -6.306 544 H ASP 66 H ASP 66 -9.761 0.331 -12.354 545 HA ASP 66 HA ASP 66 -9.224 2.483 -14.083 546 1HB ASP 66 1HB ASP 66 -9.643 -0.453 -14.425 547 2HB ASP 66 2HB ASP 66 -9.677 0.566 -15.862 548 H ARG 67 H ARG 67 -12.014 0.256 -14.066 549 HA ARG 67 HA ARG 67 -13.554 1.310 -16.030 550 1HB ARG 67 1HB ARG 67 -14.401 0.285 -13.323 551 2HB ARG 67 2HB ARG 67 -15.552 0.679 -14.592 552 1HG ARG 67 1HG ARG 67 -14.895 -1.086 -15.923 553 2HG ARG 67 2HG ARG 67 -13.310 -1.209 -15.154 554 1HD ARG 67 1HD ARG 67 -15.255 -2.939 -14.653 555 2HD ARG 67 2HD ARG 67 -14.094 -2.453 -13.420 556 HE ARG 67 HE ARG 67 -15.808 -1.489 -12.268 557 1HH1 ARG 67 1HH1 ARG 67 -16.774 -1.864 -15.592 558 2HH1 ARG 67 2HH1 ARG 67 -18.398 -1.329 -15.316 559 1HH2 ARG 67 1HH2 ARG 67 -17.944 -0.779 -11.894 560 2HH2 ARG 67 2HH2 ARG 67 -19.063 -0.711 -13.214 561 H GLN 68 H GLN 68 -12.984 2.687 -12.860 562 HA GLN 68 HA GLN 68 -14.981 4.723 -13.079 563 1HB GLN 68 1HB GLN 68 -12.878 3.965 -11.161 564 2HB GLN 68 2HB GLN 68 -13.234 5.686 -11.222 565 1HG GLN 68 1HG GLN 68 -14.543 4.572 -9.508 566 2HG GLN 68 2HG GLN 68 -15.579 5.236 -10.772 567 1HE2 GLN 68 2HE2 GLN 68 -13.806 2.229 -10.116 568 2HE2 GLN 68 1HE2 GLN 68 -15.094 1.170 -10.565 569 H ALA 69 H ALA 69 -11.420 4.783 -13.248 570 HA ALA 69 HA ALA 69 -11.219 7.485 -14.022 571 1HB ALA 69 1HB ALA 69 -9.447 5.381 -13.450 572 2HB ALA 69 2HB ALA 69 -9.035 5.953 -15.065 573 3HB ALA 69 3HB ALA 69 -9.059 7.081 -13.710 574 H ALA 70 H ALA 70 -11.509 4.501 -15.874 575 HA ALA 70 HA ALA 70 -11.080 5.740 -18.417 576 1HB ALA 70 1HB ALA 70 -11.668 3.056 -17.415 577 2HB ALA 70 2HB ALA 70 -12.401 3.417 -18.979 578 3HB ALA 70 3HB ALA 70 -10.656 3.570 -18.766 579 H ALA 71 H ALA 71 -13.688 5.671 -16.270 580 HA ALA 71 HA ALA 71 -15.915 5.527 -17.912 581 1HB ALA 71 1HB ALA 71 -15.915 5.595 -15.414 582 2HB ALA 71 2HB ALA 71 -15.654 7.336 -15.520 583 3HB ALA 71 3HB ALA 71 -17.129 6.624 -16.174 584 H LEU 72 H LEU 72 -13.491 7.903 -17.796 585 HA LEU 72 HA LEU 72 -15.177 9.934 -19.056 586 1HB LEU 72 1HB LEU 72 -12.397 9.972 -17.911 587 2HB LEU 72 2HB LEU 72 -12.998 11.284 -18.908 588 HG LEU 72 HG LEU 72 -13.327 11.989 -16.687 589 1HD1 LEU 72 1HD1 LEU 72 -15.346 12.012 -18.332 590 2HD1 LEU 72 2HD1 LEU 72 -16.030 10.834 -17.213 591 3HD1 LEU 72 3HD1 LEU 72 -15.586 12.442 -16.639 592 1HD2 LEU 72 1HD2 LEU 72 -13.452 9.247 -16.121 593 2HD2 LEU 72 2HD2 LEU 72 -13.483 10.587 -14.975 594 3HD2 LEU 72 3HD2 LEU 72 -14.994 9.924 -15.598 595 H THR 73 H THR 73 -12.037 8.344 -19.635 596 HA THR 73 HA THR 73 -12.520 8.674 -22.523 597 HB THR 73 HB THR 73 -10.318 9.276 -22.918 598 HG1 THR 73 HG1 THR 73 -8.675 8.938 -21.282 599 1HG2 THR 73 1HG2 THR 73 -11.590 10.735 -20.961 600 2HG2 THR 73 2HG2 THR 73 -9.982 10.451 -20.297 601 3HG2 THR 73 3HG2 THR 73 -10.160 11.222 -21.872 602 H ARG 74 H ARG 74 -13.334 6.630 -22.859 603 HA ARG 74 HA ARG 74 -12.108 4.275 -21.821 604 1HB ARG 74 1HB ARG 74 -14.454 4.237 -22.362 605 2HB ARG 74 2HB ARG 74 -14.127 4.694 -24.028 606 1HG ARG 74 1HG ARG 74 -14.681 2.301 -23.737 607 2HG ARG 74 2HG ARG 74 -13.102 2.576 -24.473 608 1HD ARG 74 1HD ARG 74 -11.962 2.002 -22.504 609 2HD ARG 74 2HD ARG 74 -13.414 2.159 -21.517 610 HE ARG 74 HE ARG 74 -12.637 -0.117 -23.136 611 1HH1 ARG 74 1HH1 ARG 74 -15.156 1.477 -21.336 612 2HH1 ARG 74 2HH1 ARG 74 -16.093 0.037 -21.120 613 1HH2 ARG 74 1HH2 ARG 74 -13.864 -2.022 -22.857 614 2HH2 ARG 74 2HH2 ARG 74 -15.358 -1.952 -21.985 615 H ASN 75 H ASN 75 -12.689 4.723 -25.270 616 HA ASN 75 HA ASN 75 -9.889 3.954 -25.766 617 1HB ASN 75 1HB ASN 75 -11.813 2.333 -26.397 618 2HB ASN 75 2HB ASN 75 -12.115 3.454 -27.723 619 1HD2 ASN 75 2HD2 ASN 75 -11.529 1.000 -28.449 620 2HD2 ASN 75 1HD2 ASN 75 -9.914 0.870 -29.049 621 H GLY 76 H GLY 76 -12.624 5.865 -26.957 622 1HA GLY 76 1HA GLY 76 -12.496 8.043 -27.812 623 2HA GLY 76 2HA GLY 76 -10.753 7.861 -27.954 Start of MODEL 18 1 2H MET 0 2H MET 0 21.219 8.399 -13.093 2 3H MET 0 3H MET 0 22.745 8.691 -12.363 3 1H MET 0 1H MET 0 22.659 8.140 -13.985 4 HA MET 0 HA MET 0 21.943 6.680 -11.536 5 1HB MET 0 1HB MET 0 20.919 6.487 -14.221 6 2HB MET 0 2HB MET 0 21.814 5.027 -13.822 7 1HG MET 0 1HG MET 0 20.353 5.321 -11.580 8 2HG MET 0 2HG MET 0 19.263 6.037 -12.766 9 1HE MET 0 1HE MET 0 20.891 3.274 -11.214 10 2HE MET 0 2HE MET 0 19.967 1.857 -11.710 11 3HE MET 0 3HE MET 0 21.421 2.313 -12.594 12 H GLN 1 H GLN 1 24.359 7.522 -11.417 13 HA GLN 1 HA GLN 1 26.001 5.247 -11.711 14 1HB GLN 1 1HB GLN 1 27.502 5.881 -13.428 15 2HB GLN 1 2HB GLN 1 25.893 6.103 -14.099 16 1HG GLN 1 1HG GLN 1 26.554 8.549 -12.927 17 2HG GLN 1 2HG GLN 1 28.014 8.008 -13.755 18 1HE2 GLN 1 2HE2 GLN 1 26.102 10.195 -14.333 19 2HE2 GLN 1 1HE2 GLN 1 25.591 9.934 -15.962 20 H HIS 2 H HIS 2 28.416 5.927 -11.328 21 HA HIS 2 HA HIS 2 29.942 6.869 -9.925 22 1HB HIS 2 1HB HIS 2 28.267 9.105 -10.804 23 2HB HIS 2 2HB HIS 2 29.035 9.384 -9.245 24 HD1 HIS 2 HD1 HIS 2 29.853 8.779 -12.863 25 HD2 HIS 2 HD2 HIS 2 31.765 9.841 -9.329 26 HE1 HIS 2 HE1 HIS 2 32.165 9.506 -13.541 27 HE2 HIS 2 HE2 HIS 2 33.321 10.091 -11.381 28 H HIS 3 H HIS 3 27.324 8.781 -8.579 29 HA HIS 3 HA HIS 3 27.071 6.971 -6.301 30 1HB HIS 3 1HB HIS 3 28.676 9.303 -6.215 31 2HB HIS 3 2HB HIS 3 27.223 9.647 -5.283 32 HD1 HIS 3 HD1 HIS 3 27.747 9.276 -2.902 33 HD2 HIS 3 HD2 HIS 3 29.478 6.381 -5.329 34 HE1 HIS 3 HE1 HIS 3 28.876 7.671 -1.330 35 HE2 HIS 3 HE2 HIS 3 29.845 5.880 -2.817 36 H GLY 4 H GLY 4 25.017 6.806 -5.657 37 1HA GLY 4 1HA GLY 4 22.904 7.713 -5.032 38 2HA GLY 4 2HA GLY 4 23.186 9.051 -6.135 39 H VAL 5 H VAL 5 22.516 5.578 -6.011 40 HA VAL 5 HA VAL 5 21.140 5.847 -8.604 41 HB VAL 5 HB VAL 5 21.725 3.593 -9.175 42 1HG1 VAL 5 1HG1 VAL 5 23.859 5.490 -8.420 43 2HG1 VAL 5 2HG1 VAL 5 24.367 3.840 -8.784 44 3HG1 VAL 5 3HG1 VAL 5 23.476 4.773 -9.986 45 1HG2 VAL 5 1HG2 VAL 5 22.469 3.440 -6.326 46 2HG2 VAL 5 2HG2 VAL 5 21.790 2.209 -7.391 47 3HG2 VAL 5 3HG2 VAL 5 23.516 2.569 -7.446 48 H THR 6 H THR 6 19.725 6.410 -6.369 49 HA THR 6 HA THR 6 17.971 4.060 -6.125 50 HB THR 6 HB THR 6 17.766 5.676 -3.770 51 HG1 THR 6 HG1 THR 6 20.333 4.576 -3.944 52 1HG2 THR 6 1HG2 THR 6 18.325 2.861 -4.436 53 2HG2 THR 6 2HG2 THR 6 18.883 3.427 -2.862 54 3HG2 THR 6 3HG2 THR 6 17.179 3.557 -3.292 55 H LYS 7 H LYS 7 16.248 4.635 -7.294 56 HA LYS 7 HA LYS 7 14.949 7.174 -6.646 57 1HB LYS 7 1HB LYS 7 15.684 6.089 -9.321 58 2HB LYS 7 2HB LYS 7 14.174 6.979 -9.175 59 1HG LYS 7 1HG LYS 7 15.683 8.610 -9.797 60 2HG LYS 7 2HG LYS 7 15.611 8.793 -8.043 61 1HD LYS 7 1HD LYS 7 17.616 7.135 -8.059 62 2HD LYS 7 2HD LYS 7 17.784 7.636 -9.742 63 1HE LYS 7 1HE LYS 7 17.571 9.650 -7.531 64 2HE LYS 7 2HE LYS 7 19.118 8.911 -7.948 65 1HZ LYS 7 1HZ LYS 7 18.610 9.664 -10.298 66 2HZ LYS 7 2HZ LYS 7 17.399 10.635 -9.628 67 3HZ LYS 7 3HZ LYS 7 19.014 10.874 -9.186 68 H CYS 8 H CYS 8 14.274 4.876 -5.375 69 HA CYS 8 HA CYS 8 11.721 4.130 -6.643 70 1HB CYS 8 1HB CYS 8 11.944 1.998 -5.251 71 2HB CYS 8 2HB CYS 8 13.020 2.156 -6.636 72 H ASN 9 H ASN 9 11.041 6.143 -5.474 73 HA ASN 9 HA ASN 9 11.006 6.709 -2.858 74 1HB ASN 9 1HB ASN 9 8.458 7.282 -3.248 75 2HB ASN 9 2HB ASN 9 9.721 8.186 -4.078 76 1HD2 ASN 9 2HD2 ASN 9 7.550 5.425 -4.440 77 2HD2 ASN 9 1HD2 ASN 9 7.355 5.578 -6.149 78 H ILE 10 H ILE 10 9.310 4.037 -4.359 79 HA ILE 10 HA ILE 10 8.699 2.997 -1.680 80 HB ILE 10 HB ILE 10 6.649 3.989 -2.741 81 1HG1 ILE 10 1HG1 ILE 10 6.190 1.052 -2.502 82 2HG1 ILE 10 2HG1 ILE 10 6.886 1.891 -1.119 83 1HG2 ILE 10 1HG2 ILE 10 7.530 2.777 -5.015 84 2HG2 ILE 10 2HG2 ILE 10 6.277 1.660 -4.477 85 3HG2 ILE 10 3HG2 ILE 10 5.885 3.356 -4.752 86 1HD1 ILE 10 1HD1 ILE 10 4.959 3.481 -1.244 87 2HD1 ILE 10 2HD1 ILE 10 4.239 2.398 -2.437 88 3HD1 ILE 10 3HD1 ILE 10 4.551 1.824 -0.797 89 H THR 11 H THR 11 9.671 1.107 -1.427 90 HA THR 11 HA THR 11 10.227 -0.538 -3.800 91 HB THR 11 HB THR 11 12.173 0.173 -2.429 92 HG1 THR 11 HG1 THR 11 11.836 -2.606 -2.131 93 1HG2 THR 11 1HG2 THR 11 10.751 -0.153 -0.229 94 2HG2 THR 11 2HG2 THR 11 11.461 -1.766 -0.307 95 3HG2 THR 11 3HG2 THR 11 12.503 -0.344 -0.248 96 H CYS 12 H CYS 12 9.463 -2.579 -3.981 97 HA CYS 12 HA CYS 12 7.448 -3.404 -2.049 98 1HB CYS 12 1HB CYS 12 8.205 -4.527 -4.752 99 2HB CYS 12 2HB CYS 12 6.897 -5.140 -3.747 100 H SER 13 H SER 13 9.253 -3.781 -0.462 101 HA SER 13 HA SER 13 11.033 -5.965 -0.829 102 1HB SER 13 1HB SER 13 10.124 -4.410 1.587 103 2HB SER 13 2HB SER 13 11.209 -5.791 1.735 104 HG SER 13 HG SER 13 12.381 -4.505 -0.058 105 H LYS 14 H LYS 14 7.849 -5.620 0.645 106 HA LYS 14 HA LYS 14 7.610 -8.546 0.656 107 1HB LYS 14 1HB LYS 14 7.983 -7.210 2.973 108 2HB LYS 14 2HB LYS 14 6.234 -7.105 2.846 109 1HG LYS 14 1HG LYS 14 7.151 -9.056 4.155 110 2HG LYS 14 2HG LYS 14 5.982 -9.441 2.890 111 1HD LYS 14 1HD LYS 14 7.507 -10.538 1.630 112 2HD LYS 14 2HD LYS 14 8.814 -9.435 2.066 113 1HE LYS 14 1HE LYS 14 9.557 -11.220 3.231 114 2HE LYS 14 2HE LYS 14 8.412 -10.631 4.438 115 1HZ LYS 14 1HZ LYS 14 7.204 -12.359 2.491 116 2HZ LYS 14 2HZ LYS 14 8.437 -13.123 3.361 117 3HZ LYS 14 3HZ LYS 14 7.133 -12.419 4.181 118 H MET 15 H MET 15 5.144 -9.039 1.262 119 HA MET 15 HA MET 15 3.503 -7.282 -0.443 120 1HB MET 15 1HB MET 15 3.360 -10.286 -0.147 121 2HB MET 15 2HB MET 15 2.208 -9.315 -1.054 122 1HG MET 15 1HG MET 15 5.102 -9.817 -1.657 123 2HG MET 15 2HG MET 15 3.691 -10.214 -2.635 124 1HE MET 15 1HE MET 15 6.317 -8.966 -3.484 125 2HE MET 15 2HE MET 15 5.217 -8.768 -4.850 126 3HE MET 15 3HE MET 15 6.126 -7.384 -4.239 127 H THR 16 H THR 16 1.482 -6.729 0.252 128 HA THR 16 HA THR 16 0.935 -7.178 3.067 129 HB THR 16 HB THR 16 0.727 -4.933 1.845 130 HG1 THR 16 HG1 THR 16 -1.128 -4.401 3.115 131 1HG2 THR 16 1HG2 THR 16 -1.137 -6.374 0.303 132 2HG2 THR 16 2HG2 THR 16 -2.043 -5.208 1.270 133 3HG2 THR 16 3HG2 THR 16 -0.736 -4.658 0.220 134 H SER 17 H SER 17 -1.778 -7.072 3.218 135 HA SER 17 HA SER 17 -2.550 -9.666 2.073 136 1HB SER 17 1HB SER 17 -4.358 -8.670 4.105 137 2HB SER 17 2HB SER 17 -3.427 -10.167 4.076 138 HG SER 17 HG SER 17 -1.748 -9.149 5.052 139 H LYS 18 H LYS 18 -5.226 -9.641 2.226 140 HA LYS 18 HA LYS 18 -5.960 -7.991 0.005 141 1HB LYS 18 1HB LYS 18 -6.806 -10.383 0.744 142 2HB LYS 18 2HB LYS 18 -7.995 -9.448 1.640 143 1HG LYS 18 1HG LYS 18 -7.954 -8.342 -0.928 144 2HG LYS 18 2HG LYS 18 -7.911 -10.092 -1.154 145 1HD LYS 18 1HD LYS 18 -9.817 -9.074 0.861 146 2HD LYS 18 2HD LYS 18 -10.185 -8.706 -0.825 147 1HE LYS 18 1HE LYS 18 -11.257 -10.777 -0.178 148 2HE LYS 18 2HE LYS 18 -9.997 -11.096 -1.370 149 1HZ LYS 18 1HZ LYS 18 -8.843 -11.269 1.165 150 2HZ LYS 18 2HZ LYS 18 -10.271 -12.172 1.205 151 3HZ LYS 18 3HZ LYS 18 -9.088 -12.513 0.045 152 H ILE 19 H ILE 19 -7.284 -6.218 -0.059 153 HA ILE 19 HA ILE 19 -8.367 -5.203 2.470 154 HB ILE 19 HB ILE 19 -6.945 -3.344 0.586 155 1HG1 ILE 19 1HG1 ILE 19 -5.683 -4.350 3.120 156 2HG1 ILE 19 2HG1 ILE 19 -5.475 -5.236 1.611 157 1HG2 ILE 19 1HG2 ILE 19 -7.816 -3.155 3.464 158 2HG2 ILE 19 2HG2 ILE 19 -6.855 -1.934 2.631 159 3HG2 ILE 19 3HG2 ILE 19 -8.495 -2.291 2.085 160 1HD1 ILE 19 1HD1 ILE 19 -4.942 -2.408 1.297 161 2HD1 ILE 19 2HD1 ILE 19 -3.917 -3.157 2.519 162 3HD1 ILE 19 3HD1 ILE 19 -3.950 -3.804 0.879 163 HA PRO 20 HA PRO 20 -12.057 -4.452 0.185 164 1HB PRO 20 1HB PRO 20 -12.207 -1.945 1.781 165 2HB PRO 20 2HB PRO 20 -13.400 -3.233 1.595 166 1HG PRO 20 1HG PRO 20 -11.965 -2.988 3.836 167 2HG PRO 20 2HG PRO 20 -12.390 -4.580 3.181 168 1HD PRO 20 1HD PRO 20 -9.791 -3.129 3.125 169 2HD PRO 20 2HD PRO 20 -10.110 -4.870 3.250 170 H VAL 21 H VAL 21 -11.890 -3.807 -1.877 171 HA VAL 21 HA VAL 21 -10.234 -1.821 -2.879 172 HB VAL 21 HB VAL 21 -11.508 -3.642 -4.164 173 1HG1 VAL 21 1HG1 VAL 21 -13.606 -1.480 -4.086 174 2HG1 VAL 21 2HG1 VAL 21 -13.604 -2.811 -5.242 175 3HG1 VAL 21 3HG1 VAL 21 -13.755 -3.143 -3.517 176 1HG2 VAL 21 1HG2 VAL 21 -10.701 -0.957 -4.985 177 2HG2 VAL 21 2HG2 VAL 21 -10.310 -2.526 -5.691 178 3HG2 VAL 21 3HG2 VAL 21 -11.832 -1.731 -6.096 179 H ALA 22 H ALA 22 -13.251 -1.541 -1.262 180 HA ALA 22 HA ALA 22 -14.080 0.966 -2.305 181 1HB ALA 22 1HB ALA 22 -15.093 -0.930 -0.497 182 2HB ALA 22 2HB ALA 22 -14.977 0.590 0.391 183 3HB ALA 22 3HB ALA 22 -15.896 0.515 -1.112 184 H LEU 23 H LEU 23 -11.461 0.152 -0.402 185 HA LEU 23 HA LEU 23 -11.393 2.770 0.927 186 1HB LEU 23 1HB LEU 23 -9.780 0.267 1.418 187 2HB LEU 23 2HB LEU 23 -9.534 1.784 2.262 188 HG LEU 23 HG LEU 23 -12.244 0.533 2.330 189 1HD1 LEU 23 1HD1 LEU 23 -10.540 -1.247 2.836 190 2HD1 LEU 23 2HD1 LEU 23 -10.039 -0.267 4.214 191 3HD1 LEU 23 3HD1 LEU 23 -11.683 -0.899 4.135 192 1HD2 LEU 23 1HD2 LEU 23 -11.544 2.826 3.281 193 2HD2 LEU 23 2HD2 LEU 23 -12.506 1.745 4.292 194 3HD2 LEU 23 3HD2 LEU 23 -10.767 1.886 4.555 195 H LEU 24 H LEU 24 -10.312 1.288 -1.829 196 HA LEU 24 HA LEU 24 -7.683 2.500 -1.905 197 1HB LEU 24 1HB LEU 24 -9.283 0.835 -3.826 198 2HB LEU 24 2HB LEU 24 -7.812 1.640 -4.335 199 HG LEU 24 HG LEU 24 -7.952 -0.329 -2.051 200 1HD1 LEU 24 1HD1 LEU 24 -8.351 -1.012 -4.623 201 2HD1 LEU 24 2HD1 LEU 24 -6.590 -1.054 -4.560 202 3HD1 LEU 24 3HD1 LEU 24 -7.536 -2.045 -3.449 203 1HD2 LEU 24 1HD2 LEU 24 -6.110 1.450 -2.163 204 2HD2 LEU 24 2HD2 LEU 24 -5.619 -0.235 -1.991 205 3HD2 LEU 24 3HD2 LEU 24 -5.517 0.556 -3.564 206 H ILE 25 H ILE 25 -7.069 4.253 -3.110 207 HA ILE 25 HA ILE 25 -9.256 5.829 -4.305 208 HB ILE 25 HB ILE 25 -7.979 7.850 -3.755 209 1HG1 ILE 25 1HG1 ILE 25 -6.164 6.168 -2.043 210 2HG1 ILE 25 2HG1 ILE 25 -5.756 6.510 -3.722 211 1HG2 ILE 25 1HG2 ILE 25 -9.457 6.278 -2.039 212 2HG2 ILE 25 2HG2 ILE 25 -8.024 6.682 -1.094 213 3HG2 ILE 25 3HG2 ILE 25 -9.016 7.967 -1.784 214 1HD1 ILE 25 1HD1 ILE 25 -6.255 8.993 -2.916 215 2HD1 ILE 25 2HD1 ILE 25 -5.769 8.293 -1.371 216 3HD1 ILE 25 3HD1 ILE 25 -4.673 8.232 -2.750 217 H HIS 26 H HIS 26 -6.005 4.612 -4.670 218 HA HIS 26 HA HIS 26 -6.113 5.053 -7.511 219 1HB HIS 26 1HB HIS 26 -4.375 6.722 -5.749 220 2HB HIS 26 2HB HIS 26 -3.731 6.200 -7.304 221 HD1 HIS 26 HD1 HIS 26 -4.794 7.208 -9.429 222 HD2 HIS 26 HD2 HIS 26 -6.424 8.628 -5.880 223 HE1 HIS 26 HE1 HIS 26 -6.165 9.215 -10.075 224 HE2 HIS 26 HE2 HIS 26 -7.081 10.101 -7.901 225 H TYR 27 H TYR 27 -4.335 4.031 -8.648 226 HA TYR 27 HA TYR 27 -2.803 2.121 -7.021 227 1HB TYR 27 1HB TYR 27 -3.365 0.291 -8.386 228 2HB TYR 27 2HB TYR 27 -4.894 1.126 -8.137 229 HD1 TYR 27 HD1 TYR 27 -2.268 0.309 -10.566 230 HD2 TYR 27 HD2 TYR 27 -6.000 2.280 -9.964 231 HE1 TYR 27 HE1 TYR 27 -2.579 0.453 -13.006 232 HE2 TYR 27 HE2 TYR 27 -6.322 2.430 -12.401 233 HH TYR 27 HH TYR 27 -5.287 2.219 -14.415 234 H GLN 28 H GLN 28 -0.717 1.878 -7.608 235 HA GLN 28 HA GLN 28 0.134 3.128 -10.132 236 1HB GLN 28 1HB GLN 28 2.265 3.107 -8.213 237 2HB GLN 28 2HB GLN 28 1.541 4.474 -9.046 238 1HG GLN 28 1HG GLN 28 0.112 3.312 -6.717 239 2HG GLN 28 2HG GLN 28 1.542 4.299 -6.427 240 1HE2 GLN 28 2HE2 GLN 28 -0.492 5.364 -5.333 241 2HE2 GLN 28 1HE2 GLN 28 -1.194 6.647 -6.252 242 H GLN 29 H GLN 29 2.410 2.376 -10.759 243 HA GLN 29 HA GLN 29 2.554 -0.539 -10.364 244 1HB GLN 29 1HB GLN 29 2.185 0.746 -12.717 245 2HB GLN 29 2HB GLN 29 3.940 0.660 -12.682 246 1HG GLN 29 1HG GLN 29 3.975 -1.596 -12.910 247 2HG GLN 29 2HG GLN 29 2.446 -1.817 -12.061 248 1HE2 GLN 29 2HE2 GLN 29 2.772 -3.272 -14.244 249 2HE2 GLN 29 1HE2 GLN 29 1.835 -2.667 -15.562 250 H ASN 30 H ASN 30 4.546 -1.511 -10.005 251 HA ASN 30 HA ASN 30 6.503 0.169 -8.725 252 1HB ASN 30 1HB ASN 30 5.989 -1.967 -7.715 253 2HB ASN 30 2HB ASN 30 6.406 -2.815 -9.202 254 1HD2 ASN 30 2HD2 ASN 30 7.561 -1.403 -6.310 255 2HD2 ASN 30 1HD2 ASN 30 9.232 -1.790 -6.522 256 H GLN 31 H GLN 31 8.830 -0.019 -9.211 257 HA GLN 31 HA GLN 31 9.253 -0.004 -12.114 258 1HB GLN 31 1HB GLN 31 10.702 1.307 -9.826 259 2HB GLN 31 2HB GLN 31 11.428 1.178 -11.422 260 1HG GLN 31 1HG GLN 31 9.821 2.568 -12.394 261 2HG GLN 31 2HG GLN 31 8.727 2.408 -11.022 262 1HE2 GLN 31 2HE2 GLN 31 9.158 3.560 -9.126 263 2HE2 GLN 31 1HE2 GLN 31 10.222 4.922 -9.111 264 H ALA 32 H ALA 32 10.615 -1.392 -13.091 265 HA ALA 32 HA ALA 32 11.507 -3.699 -11.700 266 1HB ALA 32 1HB ALA 32 10.994 -3.120 -14.309 267 2HB ALA 32 2HB ALA 32 12.756 -3.183 -14.300 268 3HB ALA 32 3HB ALA 32 11.821 -4.571 -13.744 269 H SER 33 H SER 33 12.828 -2.791 -10.028 270 HA SER 33 HA SER 33 15.573 -2.916 -10.533 271 1HB SER 33 1HB SER 33 15.957 -0.391 -9.849 272 2HB SER 33 2HB SER 33 15.710 -0.838 -11.537 273 HG SER 33 HG SER 33 13.595 -0.170 -11.392 274 H CYS 34 H CYS 34 13.200 -1.239 -8.485 275 HA CYS 34 HA CYS 34 14.731 -2.076 -6.121 276 1HB CYS 34 1HB CYS 34 13.172 0.297 -6.790 277 2HB CYS 34 2HB CYS 34 12.718 -0.390 -5.234 278 H GLY 35 H GLY 35 13.927 -3.536 -4.732 279 1HA GLY 35 1HA GLY 35 12.473 -5.018 -3.745 280 2HA GLY 35 2HA GLY 35 11.164 -3.981 -4.291 281 H LYS 36 H LYS 36 9.985 -5.973 -4.660 282 HA LYS 36 HA LYS 36 10.893 -7.517 -6.983 283 1HB LYS 36 1HB LYS 36 8.696 -8.073 -4.984 284 2HB LYS 36 2HB LYS 36 9.097 -9.111 -6.342 285 1HG LYS 36 1HG LYS 36 10.624 -10.131 -5.127 286 2HG LYS 36 2HG LYS 36 11.472 -8.607 -4.867 287 1HD LYS 36 1HD LYS 36 10.943 -8.793 -2.711 288 2HD LYS 36 2HD LYS 36 9.266 -8.491 -3.174 289 1HE LYS 36 1HE LYS 36 9.537 -10.529 -1.803 290 2HE LYS 36 2HE LYS 36 8.851 -10.853 -3.395 291 1HZ LYS 36 1HZ LYS 36 11.682 -11.033 -3.462 292 2HZ LYS 36 2HZ LYS 36 11.060 -12.049 -2.263 293 3HZ LYS 36 3HZ LYS 36 10.530 -12.203 -3.862 294 H ARG 37 H ARG 37 9.349 -8.056 -8.662 295 HA ARG 37 HA ARG 37 7.999 -5.782 -9.651 296 1HB ARG 37 1HB ARG 37 8.566 -8.490 -10.545 297 2HB ARG 37 2HB ARG 37 6.966 -7.958 -11.041 298 1HG ARG 37 1HG ARG 37 8.042 -5.897 -11.973 299 2HG ARG 37 2HG ARG 37 9.604 -6.656 -11.656 300 1HD ARG 37 1HD ARG 37 8.730 -6.929 -13.998 301 2HD ARG 37 2HD ARG 37 9.148 -8.426 -13.167 302 HE ARG 37 HE ARG 37 6.392 -7.763 -12.853 303 1HH1 ARG 37 1HH1 ARG 37 8.710 -9.152 -15.049 304 2HH1 ARG 37 2HH1 ARG 37 7.541 -10.131 -15.870 305 1HH2 ARG 37 1HH2 ARG 37 4.842 -9.046 -13.925 306 2HH2 ARG 37 2HH2 ARG 37 5.340 -10.070 -15.231 307 H ALA 38 H ALA 38 6.493 -5.133 -8.091 308 HA ALA 38 HA ALA 38 4.080 -6.817 -7.982 309 1HB ALA 38 1HB ALA 38 5.256 -5.199 -5.725 310 2HB ALA 38 2HB ALA 38 3.687 -6.004 -5.683 311 3HB ALA 38 3HB ALA 38 5.164 -6.957 -5.828 312 H ILE 39 H ILE 39 2.389 -5.115 -6.683 313 HA ILE 39 HA ILE 39 2.286 -2.773 -8.471 314 HB ILE 39 HB ILE 39 0.031 -4.496 -7.450 315 1HG1 ILE 39 1HG1 ILE 39 1.461 -4.990 -9.598 316 2HG1 ILE 39 2HG1 ILE 39 -0.291 -5.157 -9.645 317 1HG2 ILE 39 1HG2 ILE 39 -0.051 -1.778 -8.734 318 2HG2 ILE 39 2HG2 ILE 39 -1.428 -2.880 -8.741 319 3HG2 ILE 39 3HG2 ILE 39 -0.777 -2.292 -7.211 320 1HD1 ILE 39 1HD1 ILE 39 -0.444 -2.902 -10.626 321 2HD1 ILE 39 2HD1 ILE 39 1.318 -2.825 -10.653 322 3HD1 ILE 39 3HD1 ILE 39 0.474 -4.032 -11.622 323 H ILE 40 H ILE 40 1.399 -0.839 -7.623 324 HA ILE 40 HA ILE 40 1.598 -0.661 -4.696 325 HB ILE 40 HB ILE 40 1.766 1.560 -6.738 326 1HG1 ILE 40 1HG1 ILE 40 3.668 -0.111 -6.725 327 2HG1 ILE 40 2HG1 ILE 40 4.128 1.557 -6.402 328 1HG2 ILE 40 1HG2 ILE 40 2.158 1.535 -3.752 329 2HG2 ILE 40 2HG2 ILE 40 2.630 2.873 -4.801 330 3HG2 ILE 40 3HG2 ILE 40 0.933 2.414 -4.667 331 1HD1 ILE 40 1HD1 ILE 40 3.669 -0.496 -4.256 332 2HD1 ILE 40 2HD1 ILE 40 5.244 -0.131 -4.960 333 3HD1 ILE 40 3HD1 ILE 40 4.363 1.115 -4.075 334 H LEU 41 H LEU 41 -0.105 -0.054 -3.488 335 HA LEU 41 HA LEU 41 -2.517 0.885 -4.895 336 1HB LEU 41 1HB LEU 41 -2.398 -0.978 -2.523 337 2HB LEU 41 2HB LEU 41 -3.863 -0.364 -3.262 338 HG LEU 41 HG LEU 41 -1.855 -2.155 -4.628 339 1HD1 LEU 41 1HD1 LEU 41 -4.208 -2.683 -2.958 340 2HD1 LEU 41 2HD1 LEU 41 -4.172 -3.552 -4.492 341 3HD1 LEU 41 3HD1 LEU 41 -2.837 -3.719 -3.353 342 1HD2 LEU 41 1HD2 LEU 41 -3.417 -0.427 -5.898 343 2HD2 LEU 41 2HD2 LEU 41 -3.110 -2.047 -6.524 344 3HD2 LEU 41 3HD2 LEU 41 -4.604 -1.707 -5.649 345 H GLU 42 H GLU 42 -3.371 2.717 -4.172 346 HA GLU 42 HA GLU 42 -2.431 3.763 -1.585 347 1HB GLU 42 1HB GLU 42 -1.847 5.038 -3.701 348 2HB GLU 42 2HB GLU 42 -3.563 5.382 -3.866 349 1HG GLU 42 1HG GLU 42 -3.603 6.723 -1.965 350 2HG GLU 42 2HG GLU 42 -2.083 6.068 -1.358 351 H THR 43 H THR 43 -3.886 4.149 -0.019 352 HA THR 43 HA THR 43 -6.724 3.771 -0.691 353 HB THR 43 HB THR 43 -7.023 3.296 1.714 354 HG1 THR 43 HG1 THR 43 -4.220 3.698 1.793 355 1HG2 THR 43 1HG2 THR 43 -5.859 1.613 -0.119 356 2HG2 THR 43 2HG2 THR 43 -4.779 1.513 1.271 357 3HG2 THR 43 3HG2 THR 43 -6.495 1.154 1.460 358 H ARG 44 H ARG 44 -8.214 4.963 0.942 359 HA ARG 44 HA ARG 44 -7.891 7.744 0.508 360 1HB ARG 44 1HB ARG 44 -9.825 6.149 2.182 361 2HB ARG 44 2HB ARG 44 -9.889 7.903 2.083 362 1HG ARG 44 1HG ARG 44 -10.316 7.813 -0.274 363 2HG ARG 44 2HG ARG 44 -10.072 6.065 -0.293 364 1HD ARG 44 1HD ARG 44 -12.350 7.652 0.815 365 2HD ARG 44 2HD ARG 44 -12.381 6.255 -0.258 366 HE ARG 44 HE ARG 44 -11.396 5.157 1.946 367 1HH1 ARG 44 1HH1 ARG 44 -14.053 7.369 1.532 368 2HH1 ARG 44 2HH1 ARG 44 -14.933 6.774 2.899 369 1HH2 ARG 44 1HH2 ARG 44 -12.547 4.363 3.750 370 2HH2 ARG 44 2HH2 ARG 44 -14.075 5.064 4.161 371 H GLN 45 H GLN 45 -6.485 5.724 2.753 372 HA GLN 45 HA GLN 45 -6.223 7.842 4.769 373 1HB GLN 45 1HB GLN 45 -5.291 4.992 5.075 374 2HB GLN 45 2HB GLN 45 -5.626 6.172 6.336 375 1HG GLN 45 1HG GLN 45 -8.008 6.066 5.811 376 2HG GLN 45 2HG GLN 45 -7.672 4.882 4.548 377 1HE2 GLN 45 2HE2 GLN 45 -6.337 5.179 7.806 378 2HE2 GLN 45 1HE2 GLN 45 -6.870 3.632 8.357 379 H HIS 46 H HIS 46 -4.830 7.528 2.101 380 HA HIS 46 HA HIS 46 -2.762 7.806 1.200 381 1HB HIS 46 1HB HIS 46 -2.143 8.908 3.949 382 2HB HIS 46 2HB HIS 46 -1.197 9.187 2.490 383 HD1 HIS 46 HD1 HIS 46 -1.767 11.246 1.234 384 HD2 HIS 46 HD2 HIS 46 -4.899 9.981 3.653 385 HE1 HIS 46 HE1 HIS 46 -3.542 13.013 1.012 386 HE2 HIS 46 HE2 HIS 46 -5.448 12.203 2.446 387 H ARG 47 H ARG 47 -3.311 5.251 2.267 388 HA ARG 47 HA ARG 47 -0.721 4.422 3.381 389 1HB ARG 47 1HB ARG 47 -2.392 3.592 4.784 390 2HB ARG 47 2HB ARG 47 -3.472 3.229 3.448 391 1HG ARG 47 1HG ARG 47 -1.179 1.639 3.079 392 2HG ARG 47 2HG ARG 47 -1.626 1.526 4.781 393 1HD ARG 47 1HD ARG 47 -3.874 1.369 2.901 394 2HD ARG 47 2HD ARG 47 -2.727 0.036 2.790 395 HE ARG 47 HE ARG 47 -3.142 0.094 5.405 396 1HH1 ARG 47 1HH1 ARG 47 -5.416 0.324 2.777 397 2HH1 ARG 47 2HH1 ARG 47 -6.719 -0.386 3.671 398 1HH2 ARG 47 1HH2 ARG 47 -4.851 -0.843 6.590 399 2HH2 ARG 47 2HH2 ARG 47 -6.396 -1.051 5.836 400 H LEU 48 H LEU 48 0.705 3.637 2.007 401 HA LEU 48 HA LEU 48 -0.231 2.509 -0.538 402 1HB LEU 48 1HB LEU 48 2.550 3.425 0.184 403 2HB LEU 48 2HB LEU 48 1.972 2.980 -1.409 404 HG LEU 48 HG LEU 48 0.701 5.266 0.051 405 1HD1 LEU 48 1HD1 LEU 48 3.452 5.142 -0.677 406 2HD1 LEU 48 2HD1 LEU 48 2.628 6.272 -1.751 407 3HD1 LEU 48 3HD1 LEU 48 2.542 6.495 -0.004 408 1HD2 LEU 48 1HD2 LEU 48 0.295 4.028 -2.409 409 2HD2 LEU 48 2HD2 LEU 48 -0.358 5.578 -1.878 410 3HD2 LEU 48 3HD2 LEU 48 1.151 5.522 -2.789 411 H PHE 49 H PHE 49 0.077 0.427 -1.021 412 HA PHE 49 HA PHE 49 1.986 -1.133 0.575 413 1HB PHE 49 1HB PHE 49 -0.946 -1.618 0.230 414 2HB PHE 49 2HB PHE 49 0.135 -3.003 0.352 415 HD1 PHE 49 HD1 PHE 49 2.126 -1.904 2.288 416 HD2 PHE 49 HD2 PHE 49 -2.133 -1.737 2.237 417 HE1 PHE 49 HE1 PHE 49 2.110 -1.699 4.744 418 HE2 PHE 49 HE2 PHE 49 -2.159 -1.529 4.693 419 HZ PHE 49 HZ PHE 49 -0.035 -1.511 5.949 420 H CYS 50 H CYS 50 2.818 -2.995 -0.459 421 HA CYS 50 HA CYS 50 2.645 -2.852 -3.381 422 1HB CYS 50 1HB CYS 50 4.725 -3.767 -1.451 423 2HB CYS 50 2HB CYS 50 4.680 -4.530 -3.037 424 H ALA 51 H ALA 51 0.933 -4.063 -3.999 425 HA ALA 51 HA ALA 51 0.713 -6.798 -2.944 426 1HB ALA 51 1HB ALA 51 -1.280 -5.399 -2.689 427 2HB ALA 51 2HB ALA 51 -1.337 -5.165 -4.436 428 3HB ALA 51 3HB ALA 51 -1.583 -6.771 -3.753 429 H ASP 52 H ASP 52 1.339 -8.436 -4.181 430 HA ASP 52 HA ASP 52 2.394 -8.114 -6.763 431 1HB ASP 52 1HB ASP 52 2.668 -10.030 -4.956 432 2HB ASP 52 2HB ASP 52 1.379 -10.783 -5.889 433 HA PRO 53 HA PRO 53 -1.166 -7.925 -9.372 434 1HB PRO 53 1HB PRO 53 0.552 -9.424 -11.279 435 2HB PRO 53 2HB PRO 53 -0.309 -7.897 -11.501 436 1HG PRO 53 1HG PRO 53 2.335 -7.936 -11.171 437 2HG PRO 53 2HG PRO 53 1.342 -6.662 -10.440 438 1HD PRO 53 1HD PRO 53 2.594 -9.058 -9.166 439 2HD PRO 53 2HD PRO 53 2.395 -7.414 -8.527 440 H LYS 54 H LYS 54 0.446 -10.842 -8.489 441 HA LYS 54 HA LYS 54 -1.281 -12.683 -9.796 442 1HB LYS 54 1HB LYS 54 0.544 -12.989 -7.408 443 2HB LYS 54 2HB LYS 54 -0.325 -14.326 -8.148 444 1HG LYS 54 1HG LYS 54 0.868 -13.431 -10.328 445 2HG LYS 54 2HG LYS 54 2.012 -12.795 -9.145 446 1HD LYS 54 1HD LYS 54 2.004 -15.161 -8.155 447 2HD LYS 54 2HD LYS 54 1.244 -15.650 -9.670 448 1HE LYS 54 1HE LYS 54 3.141 -14.731 -10.914 449 2HE LYS 54 2HE LYS 54 3.898 -14.242 -9.398 450 1HZ LYS 54 1HZ LYS 54 3.182 -17.059 -9.954 451 2HZ LYS 54 2HZ LYS 54 4.671 -16.406 -10.422 452 3HZ LYS 54 3HZ LYS 54 4.245 -16.460 -8.785 453 H GLU 55 H GLU 55 -1.474 -10.862 -6.856 454 HA GLU 55 HA GLU 55 -3.412 -12.459 -5.535 455 1HB GLU 55 1HB GLU 55 -2.784 -9.518 -5.217 456 2HB GLU 55 2HB GLU 55 -3.751 -10.479 -4.108 457 1HG GLU 55 1HG GLU 55 -1.943 -11.606 -3.274 458 2HG GLU 55 2HG GLU 55 -0.990 -11.379 -4.740 459 H GLN 56 H GLN 56 -5.567 -12.532 -5.708 460 HA GLN 56 HA GLN 56 -6.875 -11.598 -7.982 461 1HB GLN 56 1HB GLN 56 -7.523 -13.478 -6.330 462 2HB GLN 56 2HB GLN 56 -8.347 -12.207 -5.439 463 1HG GLN 56 1HG GLN 56 -9.012 -13.443 -8.040 464 2HG GLN 56 2HG GLN 56 -10.067 -12.912 -6.730 465 1HE2 GLN 56 2HE2 GLN 56 -10.125 -10.497 -6.423 466 2HE2 GLN 56 1HE2 GLN 56 -10.200 -9.528 -7.851 467 H TRP 57 H TRP 57 -7.179 -10.356 -4.635 468 HA TRP 57 HA TRP 57 -8.980 -8.330 -5.146 469 1HB TRP 57 1HB TRP 57 -8.415 -7.413 -3.076 470 2HB TRP 57 2HB TRP 57 -7.975 -9.108 -2.900 471 HD1 TRP 57 HD1 TRP 57 -5.206 -9.551 -3.506 472 HE1 TRP 57 HE1 TRP 57 -3.214 -8.172 -2.634 473 HE3 TRP 57 HE3 TRP 57 -7.681 -5.251 -2.271 474 HZ2 TRP 57 HZ2 TRP 57 -2.755 -5.598 -1.558 475 HZ3 TRP 57 HZ3 TRP 57 -6.396 -3.375 -1.322 476 HH2 TRP 57 HH2 TRP 57 -3.981 -3.546 -0.973 477 H VAL 58 H VAL 58 -5.733 -8.557 -6.202 478 HA VAL 58 HA VAL 58 -5.443 -5.695 -6.633 479 HB VAL 58 HB VAL 58 -3.639 -8.006 -7.372 480 1HG1 VAL 58 1HG1 VAL 58 -3.704 -5.407 -8.454 481 2HG1 VAL 58 2HG1 VAL 58 -2.322 -5.467 -7.360 482 3HG1 VAL 58 3HG1 VAL 58 -2.464 -6.641 -8.667 483 1HG2 VAL 58 1HG2 VAL 58 -3.905 -7.459 -4.936 484 2HG2 VAL 58 2HG2 VAL 58 -2.259 -7.317 -5.554 485 3HG2 VAL 58 3HG2 VAL 58 -3.229 -5.868 -5.287 486 H LYS 59 H LYS 59 -6.199 -8.605 -8.403 487 HA LYS 59 HA LYS 59 -5.966 -7.520 -11.021 488 1HB LYS 59 1HB LYS 59 -7.522 -9.879 -9.947 489 2HB LYS 59 2HB LYS 59 -7.385 -9.499 -11.655 490 1HG LYS 59 1HG LYS 59 -5.095 -9.984 -11.697 491 2HG LYS 59 2HG LYS 59 -4.977 -9.957 -9.935 492 1HD LYS 59 1HD LYS 59 -6.021 -12.011 -9.708 493 2HD LYS 59 2HD LYS 59 -6.784 -11.915 -11.291 494 1HE LYS 59 1HE LYS 59 -5.151 -13.276 -11.979 495 2HE LYS 59 2HE LYS 59 -4.117 -11.848 -11.914 496 1HZ LYS 59 1HZ LYS 59 -4.490 -13.395 -9.457 497 2HZ LYS 59 2HZ LYS 59 -3.488 -14.045 -10.657 498 3HZ LYS 59 3HZ LYS 59 -3.139 -12.529 -9.992 499 H ASP 60 H ASP 60 -8.781 -8.223 -8.956 500 HA ASP 60 HA ASP 60 -10.649 -6.950 -10.668 501 1HB ASP 60 1HB ASP 60 -11.338 -8.661 -9.057 502 2HB ASP 60 2HB ASP 60 -10.857 -7.617 -7.724 503 H ALA 61 H ALA 61 -8.930 -5.915 -7.734 504 HA ALA 61 HA ALA 61 -10.152 -3.474 -7.318 505 1HB ALA 61 1HB ALA 61 -7.291 -4.313 -6.901 506 2HB ALA 61 2HB ALA 61 -7.923 -2.754 -6.372 507 3HB ALA 61 3HB ALA 61 -8.591 -4.247 -5.711 508 H MET 62 H MET 62 -7.468 -4.268 -9.493 509 HA MET 62 HA MET 62 -7.117 -1.614 -10.448 510 1HB MET 62 1HB MET 62 -6.223 -4.313 -11.430 511 2HB MET 62 2HB MET 62 -5.907 -2.855 -12.360 512 1HG MET 62 1HG MET 62 -4.931 -2.009 -10.071 513 2HG MET 62 2HG MET 62 -4.772 -3.737 -9.761 514 1HE MET 62 1HE MET 62 -4.278 -5.166 -11.869 515 2HE MET 62 2HE MET 62 -3.089 -4.762 -13.108 516 3HE MET 62 3HE MET 62 -2.555 -5.270 -11.505 517 H GLN 63 H GLN 63 -8.577 -4.499 -11.961 518 HA GLN 63 HA GLN 63 -9.476 -3.426 -14.301 519 1HB GLN 63 1HB GLN 63 -9.789 -5.811 -13.307 520 2HB GLN 63 2HB GLN 63 -11.308 -5.178 -12.688 521 1HG GLN 63 1HG GLN 63 -12.228 -4.955 -14.781 522 2HG GLN 63 2HG GLN 63 -10.657 -4.846 -15.576 523 1HE2 GLN 63 2HE2 GLN 63 -10.233 -6.529 -16.791 524 2HE2 GLN 63 1HE2 GLN 63 -10.707 -8.162 -16.484 525 H HIS 64 H HIS 64 -10.611 -2.806 -11.088 526 HA HIS 64 HA HIS 64 -13.068 -1.558 -11.854 527 1HB HIS 64 1HB HIS 64 -12.615 -2.602 -9.604 528 2HB HIS 64 2HB HIS 64 -11.577 -1.224 -9.248 529 HD1 HIS 64 HD1 HIS 64 -15.182 -1.771 -10.352 530 HD2 HIS 64 HD2 HIS 64 -12.897 0.747 -7.964 531 HE1 HIS 64 HE1 HIS 64 -16.822 -0.200 -9.273 532 HE2 HIS 64 HE2 HIS 64 -15.406 1.377 -7.909 533 H LEU 65 H LEU 65 -10.131 -0.212 -10.343 534 HA LEU 65 HA LEU 65 -10.732 2.468 -10.765 535 1HB LEU 65 1HB LEU 65 -8.215 0.935 -10.324 536 2HB LEU 65 2HB LEU 65 -8.087 2.611 -10.823 537 HG LEU 65 HG LEU 65 -9.733 1.804 -8.441 538 1HD1 LEU 65 1HD1 LEU 65 -7.077 1.265 -8.565 539 2HD1 LEU 65 2HD1 LEU 65 -7.065 2.914 -7.941 540 3HD1 LEU 65 3HD1 LEU 65 -7.952 1.655 -7.084 541 1HD2 LEU 65 1HD2 LEU 65 -9.436 4.190 -9.804 542 2HD2 LEU 65 2HD2 LEU 65 -10.067 3.988 -8.171 543 3HD2 LEU 65 3HD2 LEU 65 -8.360 4.357 -8.417 544 H ASP 66 H ASP 66 -9.830 0.076 -13.019 545 HA ASP 66 HA ASP 66 -8.555 1.701 -14.957 546 1HB ASP 66 1HB ASP 66 -9.967 -0.960 -15.128 547 2HB ASP 66 2HB ASP 66 -9.228 -0.192 -16.529 548 H ARG 67 H ARG 67 -11.915 0.860 -14.331 549 HA ARG 67 HA ARG 67 -12.812 2.282 -16.705 550 1HB ARG 67 1HB ARG 67 -13.939 0.313 -14.877 551 2HB ARG 67 2HB ARG 67 -15.063 1.618 -15.232 552 1HG ARG 67 1HG ARG 67 -15.274 1.036 -17.418 553 2HG ARG 67 2HG ARG 67 -13.635 0.386 -17.518 554 1HD ARG 67 1HD ARG 67 -15.074 -1.199 -15.666 555 2HD ARG 67 2HD ARG 67 -16.088 -1.002 -17.096 556 HE ARG 67 HE ARG 67 -13.582 -1.645 -18.036 557 1HH1 ARG 67 1HH1 ARG 67 -15.948 -3.109 -15.945 558 2HH1 ARG 67 2HH1 ARG 67 -15.491 -4.730 -16.344 559 1HH2 ARG 67 1HH2 ARG 67 -12.971 -3.775 -18.574 560 2HH2 ARG 67 2HH2 ARG 67 -13.797 -5.109 -17.840 561 H GLN 68 H GLN 68 -12.027 3.053 -13.546 562 HA GLN 68 HA GLN 68 -14.029 4.908 -12.859 563 1HB GLN 68 1HB GLN 68 -11.731 3.927 -11.664 564 2HB GLN 68 2HB GLN 68 -11.363 5.628 -11.915 565 1HG GLN 68 1HG GLN 68 -12.762 6.286 -10.309 566 2HG GLN 68 2HG GLN 68 -14.025 5.169 -10.823 567 1HE2 GLN 68 2HE2 GLN 68 -12.783 2.757 -10.557 568 2HE2 GLN 68 1HE2 GLN 68 -12.421 2.464 -8.893 569 H ALA 69 H ALA 69 -10.703 5.705 -13.868 570 HA ALA 69 HA ALA 69 -11.062 8.370 -14.398 571 1HB ALA 69 1HB ALA 69 -9.125 6.340 -15.142 572 2HB ALA 69 2HB ALA 69 -9.289 7.599 -16.367 573 3HB ALA 69 3HB ALA 69 -8.880 8.030 -14.706 574 H ALA 70 H ALA 70 -11.500 5.677 -16.676 575 HA ALA 70 HA ALA 70 -12.184 7.190 -18.923 576 1HB ALA 70 1HB ALA 70 -12.099 4.442 -18.214 577 2HB ALA 70 2HB ALA 70 -13.654 4.763 -18.983 578 3HB ALA 70 3HB ALA 70 -12.156 5.162 -19.823 579 H ALA 71 H ALA 71 -14.105 6.139 -16.187 580 HA ALA 71 HA ALA 71 -16.663 6.510 -17.184 581 1HB ALA 71 1HB ALA 71 -15.488 6.046 -14.660 582 2HB ALA 71 2HB ALA 71 -16.605 7.398 -14.481 583 3HB ALA 71 3HB ALA 71 -17.178 5.861 -15.128 584 H LEU 72 H LEU 72 -14.244 8.823 -16.604 585 HA LEU 72 HA LEU 72 -16.216 10.987 -16.921 586 1HB LEU 72 1HB LEU 72 -14.268 10.604 -14.855 587 2HB LEU 72 2HB LEU 72 -13.861 12.046 -15.766 588 HG LEU 72 HG LEU 72 -15.209 12.867 -14.061 589 1HD1 LEU 72 1HD1 LEU 72 -16.067 13.160 -16.574 590 2HD1 LEU 72 2HD1 LEU 72 -17.490 12.384 -15.880 591 3HD1 LEU 72 3HD1 LEU 72 -16.884 13.891 -15.192 592 1HD2 LEU 72 1HD2 LEU 72 -15.961 10.362 -13.592 593 2HD2 LEU 72 2HD2 LEU 72 -16.838 11.747 -12.943 594 3HD2 LEU 72 3HD2 LEU 72 -17.427 10.930 -14.391 595 H THR 73 H THR 73 -12.832 10.043 -17.447 596 HA THR 73 HA THR 73 -12.650 10.592 -20.105 597 HB THR 73 HB THR 73 -11.315 12.933 -19.636 598 HG1 THR 73 HG1 THR 73 -12.194 12.994 -17.500 599 1HG2 THR 73 1HG2 THR 73 -13.956 12.253 -20.732 600 2HG2 THR 73 2HG2 THR 73 -13.717 13.941 -20.277 601 3HG2 THR 73 3HG2 THR 73 -12.629 13.178 -21.437 602 H ARG 74 H ARG 74 -10.393 10.881 -20.889 603 HA ARG 74 HA ARG 74 -8.640 9.128 -19.668 604 1HB ARG 74 1HB ARG 74 -8.672 10.542 -22.021 605 2HB ARG 74 2HB ARG 74 -7.306 11.260 -21.177 606 1HG ARG 74 1HG ARG 74 -6.035 9.536 -21.718 607 2HG ARG 74 2HG ARG 74 -7.150 8.431 -20.911 608 1HD ARG 74 1HD ARG 74 -8.558 8.617 -23.053 609 2HD ARG 74 2HD ARG 74 -7.104 9.294 -23.784 610 HE ARG 74 HE ARG 74 -6.770 6.752 -22.431 611 1HH1 ARG 74 1HH1 ARG 74 -7.342 8.424 -25.432 612 2HH1 ARG 74 2HH1 ARG 74 -6.821 7.099 -26.420 613 1HH2 ARG 74 1HH2 ARG 74 -6.083 5.002 -23.720 614 2HH2 ARG 74 2HH2 ARG 74 -6.106 5.153 -25.445 615 H ASN 75 H ASN 75 -7.571 9.251 -17.819 616 HA ASN 75 HA ASN 75 -6.718 11.906 -16.861 617 1HB ASN 75 1HB ASN 75 -8.508 10.759 -15.497 618 2HB ASN 75 2HB ASN 75 -7.325 9.510 -15.123 619 1HD2 ASN 75 2HD2 ASN 75 -8.343 12.756 -14.552 620 2HD2 ASN 75 1HD2 ASN 75 -7.252 13.096 -13.255 621 H GLY 76 H GLY 76 -5.938 8.457 -16.340 622 1HA GLY 76 1HA GLY 76 -3.360 8.746 -15.415 623 2HA GLY 76 2HA GLY 76 -3.915 7.363 -16.346 Start of MODEL 19 1 2H MET 0 2H MET 0 26.894 -1.598 -1.871 2 3H MET 0 3H MET 0 26.286 -0.237 -1.020 3 1H MET 0 1H MET 0 27.945 -0.653 -0.898 4 HA MET 0 HA MET 0 25.604 -1.906 0.295 5 1HB MET 0 1HB MET 0 28.036 -3.231 -0.794 6 2HB MET 0 2HB MET 0 27.463 -3.769 0.778 7 1HG MET 0 1HG MET 0 26.136 -5.143 -0.349 8 2HG MET 0 2HG MET 0 25.165 -3.717 -0.712 9 1HE MET 0 1HE MET 0 28.503 -5.073 -1.566 10 2HE MET 0 2HE MET 0 27.912 -6.282 -2.705 11 3HE MET 0 3HE MET 0 28.692 -4.816 -3.300 12 H GLN 1 H GLN 1 27.321 0.507 0.689 13 HA GLN 1 HA GLN 1 29.262 0.406 2.556 14 1HB GLN 1 1HB GLN 1 27.417 2.348 1.690 15 2HB GLN 1 2HB GLN 1 27.327 2.351 3.446 16 1HG GLN 1 1HG GLN 1 30.063 2.272 2.520 17 2HG GLN 1 2HG GLN 1 29.188 3.659 1.872 18 1HE2 GLN 1 2HE2 GLN 1 29.175 1.926 4.971 19 2HE2 GLN 1 1HE2 GLN 1 29.416 3.329 5.951 20 H HIS 2 H HIS 2 25.787 0.365 3.357 21 HA HIS 2 HA HIS 2 26.497 -0.929 5.909 22 1HB HIS 2 1HB HIS 2 24.292 0.070 6.729 23 2HB HIS 2 2HB HIS 2 25.629 1.190 6.489 24 HD1 HIS 2 HD1 HIS 2 23.945 3.148 6.197 25 HD2 HIS 2 HD2 HIS 2 23.609 0.147 3.344 26 HE1 HIS 2 HE1 HIS 2 22.512 4.116 4.371 27 HE2 HIS 2 HE2 HIS 2 22.398 2.313 2.613 28 H HIS 3 H HIS 3 24.374 -2.019 6.835 29 HA HIS 3 HA HIS 3 23.874 -4.312 5.451 30 1HB HIS 3 1HB HIS 3 23.001 -3.251 7.830 31 2HB HIS 3 2HB HIS 3 21.505 -3.378 6.908 32 HD1 HIS 3 HD1 HIS 3 24.220 -5.468 8.424 33 HD2 HIS 3 HD2 HIS 3 20.596 -5.972 6.453 34 HE1 HIS 3 HE1 HIS 3 23.636 -7.897 8.701 35 HE2 HIS 3 HE2 HIS 3 21.398 -8.159 7.577 36 H GLY 4 H GLY 4 22.571 -4.992 3.834 37 1HA GLY 4 1HA GLY 4 21.017 -4.929 2.139 38 2HA GLY 4 2HA GLY 4 20.248 -3.588 2.974 39 H VAL 5 H VAL 5 20.484 -3.765 0.178 40 HA VAL 5 HA VAL 5 22.199 -1.430 -0.327 41 HB VAL 5 HB VAL 5 23.262 -3.521 -1.212 42 1HG1 VAL 5 1HG1 VAL 5 20.690 -4.105 -2.068 43 2HG1 VAL 5 2HG1 VAL 5 21.561 -3.709 -3.549 44 3HG1 VAL 5 3HG1 VAL 5 22.163 -4.981 -2.485 45 1HG2 VAL 5 1HG2 VAL 5 23.427 -1.120 -2.190 46 2HG2 VAL 5 2HG2 VAL 5 24.065 -2.480 -3.115 47 3HG2 VAL 5 3HG2 VAL 5 22.494 -1.792 -3.528 48 H THR 6 H THR 6 19.862 -0.648 0.161 49 HA THR 6 HA THR 6 18.502 -0.345 -2.428 50 HB THR 6 HB THR 6 16.408 -0.092 -0.769 51 HG1 THR 6 HG1 THR 6 17.818 -2.202 0.443 52 1HG2 THR 6 1HG2 THR 6 17.520 -2.574 -2.009 53 2HG2 THR 6 2HG2 THR 6 16.021 -2.605 -1.080 54 3HG2 THR 6 3HG2 THR 6 16.147 -1.590 -2.517 55 H LYS 7 H LYS 7 16.687 1.494 -1.999 56 HA LYS 7 HA LYS 7 16.955 3.572 -0.292 57 1HB LYS 7 1HB LYS 7 19.315 3.387 -1.890 58 2HB LYS 7 2HB LYS 7 18.451 4.848 -2.350 59 1HG LYS 7 1HG LYS 7 18.410 4.779 0.451 60 2HG LYS 7 2HG LYS 7 20.049 4.333 -0.030 61 1HD LYS 7 1HD LYS 7 18.961 6.569 -1.558 62 2HD LYS 7 2HD LYS 7 19.075 6.895 0.172 63 1HE LYS 7 1HE LYS 7 21.176 7.518 -0.435 64 2HE LYS 7 2HE LYS 7 21.469 5.800 -0.172 65 1HZ LYS 7 1HZ LYS 7 20.574 6.283 -2.823 66 2HZ LYS 7 2HZ LYS 7 21.938 7.224 -2.479 67 3HZ LYS 7 3HZ LYS 7 22.000 5.543 -2.295 68 H CYS 8 H CYS 8 15.009 2.409 -1.828 69 HA CYS 8 HA CYS 8 14.288 4.503 -3.763 70 1HB CYS 8 1HB CYS 8 14.273 2.517 -4.976 71 2HB CYS 8 2HB CYS 8 13.672 1.574 -3.618 72 H ASN 9 H ASN 9 12.447 5.630 -3.525 73 HA ASN 9 HA ASN 9 11.286 6.225 -1.191 74 1HB ASN 9 1HB ASN 9 9.070 6.448 -2.686 75 2HB ASN 9 2HB ASN 9 10.425 7.564 -2.824 76 1HD2 ASN 9 2HD2 ASN 9 8.488 5.278 -4.402 77 2HD2 ASN 9 1HD2 ASN 9 9.334 5.243 -5.907 78 H ILE 10 H ILE 10 9.725 3.887 -3.394 79 HA ILE 10 HA ILE 10 8.851 2.362 -1.037 80 HB ILE 10 HB ILE 10 6.992 3.812 -1.854 81 1HG1 ILE 10 1HG1 ILE 10 6.183 1.002 -2.437 82 2HG1 ILE 10 2HG1 ILE 10 6.879 1.349 -0.858 83 1HG2 ILE 10 1HG2 ILE 10 7.777 3.466 -4.304 84 2HG2 ILE 10 2HG2 ILE 10 6.772 2.019 -4.236 85 3HG2 ILE 10 3HG2 ILE 10 6.054 3.605 -3.958 86 1HD1 ILE 10 1HD1 ILE 10 4.587 2.924 -1.963 87 2HD1 ILE 10 2HD1 ILE 10 4.360 1.427 -1.057 88 3HD1 ILE 10 3HD1 ILE 10 5.148 2.809 -0.295 89 H THR 11 H THR 11 9.754 0.423 -1.224 90 HA THR 11 HA THR 11 9.829 -0.832 -3.890 91 HB THR 11 HB THR 11 12.040 -0.202 -2.631 92 HG1 THR 11 HG1 THR 11 13.006 -2.062 -3.565 93 1HG2 THR 11 1HG2 THR 11 11.190 -1.549 -0.572 94 2HG2 THR 11 2HG2 THR 11 11.781 -2.936 -1.489 95 3HG2 THR 11 3HG2 THR 11 12.885 -1.631 -1.056 96 H CYS 12 H CYS 12 8.824 -2.729 -4.133 97 HA CYS 12 HA CYS 12 7.226 -3.770 -2.009 98 1HB CYS 12 1HB CYS 12 7.788 -5.139 -4.638 99 2HB CYS 12 2HB CYS 12 6.367 -5.304 -3.613 100 H SER 13 H SER 13 8.966 -4.215 -0.478 101 HA SER 13 HA SER 13 10.891 -6.250 -1.016 102 1HB SER 13 1HB SER 13 11.083 -4.407 0.731 103 2HB SER 13 2HB SER 13 9.973 -5.357 1.719 104 HG SER 13 HG SER 13 11.497 -7.083 1.586 105 H LYS 14 H LYS 14 7.601 -6.243 -0.037 106 HA LYS 14 HA LYS 14 7.499 -9.113 -0.116 107 1HB LYS 14 1HB LYS 14 6.224 -8.922 2.247 108 2HB LYS 14 2HB LYS 14 7.928 -9.334 2.101 109 1HG LYS 14 1HG LYS 14 7.843 -7.704 3.769 110 2HG LYS 14 2HG LYS 14 8.388 -6.843 2.328 111 1HD LYS 14 1HD LYS 14 5.841 -6.378 1.990 112 2HD LYS 14 2HD LYS 14 5.743 -6.742 3.716 113 1HE LYS 14 1HE LYS 14 6.709 -4.804 4.294 114 2HE LYS 14 2HE LYS 14 7.915 -4.918 3.014 115 1HZ LYS 14 1HZ LYS 14 6.257 -4.128 1.437 116 2HZ LYS 14 2HZ LYS 14 5.108 -4.008 2.674 117 3HZ LYS 14 3HZ LYS 14 6.474 -3.013 2.691 118 H MET 15 H MET 15 5.092 -9.710 0.785 119 HA MET 15 HA MET 15 3.326 -7.977 -0.791 120 1HB MET 15 1HB MET 15 3.042 -10.854 0.084 121 2HB MET 15 2HB MET 15 1.781 -9.958 -0.750 122 1HG MET 15 1HG MET 15 4.488 -10.733 -1.791 123 2HG MET 15 2HG MET 15 2.910 -11.266 -2.365 124 1HE MET 15 1HE MET 15 5.592 -9.973 -3.606 125 2HE MET 15 2HE MET 15 5.270 -8.519 -4.550 126 3HE MET 15 3HE MET 15 5.694 -8.388 -2.843 127 H THR 16 H THR 16 1.086 -7.712 -0.016 128 HA THR 16 HA THR 16 1.038 -7.406 2.912 129 HB THR 16 HB THR 16 0.896 -5.336 1.435 130 HG1 THR 16 HG1 THR 16 -0.087 -5.783 3.692 131 1HG2 THR 16 1HG2 THR 16 -0.883 -6.573 -0.066 132 2HG2 THR 16 2HG2 THR 16 -1.998 -5.886 1.115 133 3HG2 THR 16 3HG2 THR 16 -0.932 -4.829 0.189 134 H SER 17 H SER 17 -1.636 -6.959 3.293 135 HA SER 17 HA SER 17 -2.759 -9.606 2.692 136 1HB SER 17 1HB SER 17 -4.384 -8.489 4.626 137 2HB SER 17 2HB SER 17 -3.060 -9.615 4.925 138 HG SER 17 HG SER 17 -3.261 -6.984 5.554 139 H LYS 18 H LYS 18 -5.148 -9.698 2.433 140 HA LYS 18 HA LYS 18 -5.993 -8.124 0.287 141 1HB LYS 18 1HB LYS 18 -6.929 -10.336 0.780 142 2HB LYS 18 2HB LYS 18 -7.673 -9.705 2.243 143 1HG LYS 18 1HG LYS 18 -8.841 -8.043 0.627 144 2HG LYS 18 2HG LYS 18 -8.406 -9.224 -0.611 145 1HD LYS 18 1HD LYS 18 -9.553 -10.974 0.700 146 2HD LYS 18 2HD LYS 18 -10.042 -9.748 1.871 147 1HE LYS 18 1HE LYS 18 -11.865 -9.434 0.635 148 2HE LYS 18 2HE LYS 18 -10.818 -8.711 -0.586 149 1HZ LYS 18 1HZ LYS 18 -10.483 -11.127 -1.346 150 2HZ LYS 18 2HZ LYS 18 -11.888 -11.454 -0.463 151 3HZ LYS 18 3HZ LYS 18 -11.933 -10.350 -1.744 152 H ILE 19 H ILE 19 -7.074 -6.246 0.105 153 HA ILE 19 HA ILE 19 -8.097 -4.987 2.561 154 HB ILE 19 HB ILE 19 -6.563 -3.568 0.381 155 1HG1 ILE 19 1HG1 ILE 19 -5.744 -3.948 3.261 156 2HG1 ILE 19 2HG1 ILE 19 -5.244 -5.052 1.982 157 1HG2 ILE 19 1HG2 ILE 19 -8.405 -2.278 1.467 158 2HG2 ILE 19 2HG2 ILE 19 -7.563 -2.477 3.004 159 3HG2 ILE 19 3HG2 ILE 19 -6.799 -1.583 1.688 160 1HD1 ILE 19 1HD1 ILE 19 -4.682 -2.409 1.131 161 2HD1 ILE 19 2HD1 ILE 19 -4.060 -2.614 2.769 162 3HD1 ILE 19 3HD1 ILE 19 -3.559 -3.720 1.490 163 HA PRO 20 HA PRO 20 -11.797 -4.331 0.252 164 1HB PRO 20 1HB PRO 20 -12.225 -1.854 1.763 165 2HB PRO 20 2HB PRO 20 -13.164 -3.345 1.772 166 1HG PRO 20 1HG PRO 20 -11.629 -2.586 3.861 167 2HG PRO 20 2HG PRO 20 -11.906 -4.286 3.445 168 1HD PRO 20 1HD PRO 20 -9.527 -2.563 2.928 169 2HD PRO 20 2HD PRO 20 -9.600 -4.276 3.386 170 H VAL 21 H VAL 21 -12.344 -3.330 -1.601 171 HA VAL 21 HA VAL 21 -10.576 -1.478 -2.805 172 HB VAL 21 HB VAL 21 -13.343 -2.390 -3.583 173 1HG1 VAL 21 1HG1 VAL 21 -11.487 -0.470 -4.954 174 2HG1 VAL 21 2HG1 VAL 21 -12.703 -1.391 -5.840 175 3HG1 VAL 21 3HG1 VAL 21 -13.196 -0.268 -4.573 176 1HG2 VAL 21 1HG2 VAL 21 -11.246 -3.915 -3.631 177 2HG2 VAL 21 2HG2 VAL 21 -12.314 -3.875 -5.033 178 3HG2 VAL 21 3HG2 VAL 21 -10.802 -2.968 -5.052 179 H ALA 22 H ALA 22 -13.190 -1.091 -0.657 180 HA ALA 22 HA ALA 22 -14.198 1.411 -1.434 181 1HB ALA 22 1HB ALA 22 -14.463 -0.367 0.810 182 2HB ALA 22 2HB ALA 22 -14.355 1.306 1.357 183 3HB ALA 22 3HB ALA 22 -15.595 0.837 0.194 184 H LEU 23 H LEU 23 -11.180 0.545 -0.115 185 HA LEU 23 HA LEU 23 -10.673 3.293 0.797 186 1HB LEU 23 1HB LEU 23 -8.992 0.824 1.228 187 2HB LEU 23 2HB LEU 23 -8.720 2.402 1.936 188 HG LEU 23 HG LEU 23 -9.679 1.159 3.665 189 1HD1 LEU 23 1HD1 LEU 23 -10.936 3.366 2.772 190 2HD1 LEU 23 2HD1 LEU 23 -12.268 2.211 2.741 191 3HD1 LEU 23 3HD1 LEU 23 -11.390 2.503 4.242 192 1HD2 LEU 23 1HD2 LEU 23 -10.598 -0.503 1.726 193 2HD2 LEU 23 2HD2 LEU 23 -11.050 -0.599 3.428 194 3HD2 LEU 23 3HD2 LEU 23 -12.097 0.241 2.285 195 H LEU 24 H LEU 24 -10.034 1.091 -1.728 196 HA LEU 24 HA LEU 24 -7.534 2.185 -2.583 197 1HB LEU 24 1HB LEU 24 -9.574 0.429 -3.939 198 2HB LEU 24 2HB LEU 24 -8.090 0.939 -4.719 199 HG LEU 24 HG LEU 24 -8.449 -0.936 -2.407 200 1HD1 LEU 24 1HD1 LEU 24 -7.589 -1.071 -5.187 201 2HD1 LEU 24 2HD1 LEU 24 -6.479 -1.865 -4.070 202 3HD1 LEU 24 3HD1 LEU 24 -8.175 -2.344 -4.116 203 1HD2 LEU 24 1HD2 LEU 24 -6.107 0.811 -3.004 204 2HD2 LEU 24 2HD2 LEU 24 -6.779 0.320 -1.449 205 3HD2 LEU 24 3HD2 LEU 24 -5.838 -0.826 -2.406 206 H ILE 25 H ILE 25 -7.160 3.930 -3.795 207 HA ILE 25 HA ILE 25 -9.448 5.179 -5.173 208 HB ILE 25 HB ILE 25 -8.507 7.368 -4.712 209 1HG1 ILE 25 1HG1 ILE 25 -6.397 5.871 -3.139 210 2HG1 ILE 25 2HG1 ILE 25 -6.134 6.733 -4.652 211 1HG2 ILE 25 1HG2 ILE 25 -9.684 5.660 -2.840 212 2HG2 ILE 25 2HG2 ILE 25 -8.410 6.512 -1.969 213 3HG2 ILE 25 3HG2 ILE 25 -9.661 7.423 -2.816 214 1HD1 ILE 25 1HD1 ILE 25 -7.250 8.199 -2.315 215 2HD1 ILE 25 2HD1 ILE 25 -5.524 7.839 -2.381 216 3HD1 ILE 25 3HD1 ILE 25 -6.275 8.794 -3.659 217 H HIS 26 H HIS 26 -6.035 4.403 -5.223 218 HA HIS 26 HA HIS 26 -6.020 4.629 -8.107 219 1HB HIS 26 1HB HIS 26 -4.878 6.689 -6.421 220 2HB HIS 26 2HB HIS 26 -3.643 5.940 -7.428 221 HD1 HIS 26 HD1 HIS 26 -3.433 6.871 -9.709 222 HD2 HIS 26 HD2 HIS 26 -7.179 7.609 -8.071 223 HE1 HIS 26 HE1 HIS 26 -4.630 8.308 -11.390 224 HE2 HIS 26 HE2 HIS 26 -6.928 8.663 -10.420 225 H TYR 27 H TYR 27 -4.413 3.418 -9.092 226 HA TYR 27 HA TYR 27 -2.742 1.806 -7.278 227 1HB TYR 27 1HB TYR 27 -3.139 -0.130 -8.549 228 2HB TYR 27 2HB TYR 27 -4.720 0.638 -8.440 229 HD1 TYR 27 HD1 TYR 27 -5.500 2.053 -10.419 230 HD2 TYR 27 HD2 TYR 27 -2.184 -0.619 -10.636 231 HE1 TYR 27 HE1 TYR 27 -5.680 2.038 -12.876 232 HE2 TYR 27 HE2 TYR 27 -2.354 -0.637 -13.094 233 HH TYR 27 HH TYR 27 -3.456 0.107 -14.873 234 H GLN 28 H GLN 28 -0.737 1.007 -8.202 235 HA GLN 28 HA GLN 28 0.208 2.332 -10.616 236 1HB GLN 28 1HB GLN 28 1.988 2.556 -8.235 237 2HB GLN 28 2HB GLN 28 1.892 3.579 -9.662 238 1HG GLN 28 1HG GLN 28 1.038 4.957 -8.043 239 2HG GLN 28 2HG GLN 28 -0.431 4.242 -8.708 240 1HE2 GLN 28 2HE2 GLN 28 1.115 5.025 -5.925 241 2HE2 GLN 28 1HE2 GLN 28 0.326 3.940 -4.836 242 H GLN 29 H GLN 29 2.976 1.780 -10.044 243 HA GLN 29 HA GLN 29 3.133 -1.086 -9.605 244 1HB GLN 29 1HB GLN 29 2.632 -0.406 -12.127 245 2HB GLN 29 2HB GLN 29 4.370 -0.134 -12.143 246 1HG GLN 29 1HG GLN 29 4.861 -2.354 -11.830 247 2HG GLN 29 2HG GLN 29 3.307 -2.702 -11.075 248 1HE2 GLN 29 2HE2 GLN 29 1.449 -1.980 -12.743 249 2HE2 GLN 29 1HE2 GLN 29 1.603 -2.743 -14.286 250 H ASN 30 H ASN 30 5.243 -1.835 -9.204 251 HA ASN 30 HA ASN 30 6.969 0.081 -8.016 252 1HB ASN 30 1HB ASN 30 6.601 -2.534 -7.597 253 2HB ASN 30 2HB ASN 30 7.998 -2.635 -8.664 254 1HD2 ASN 30 2HD2 ASN 30 9.268 -3.447 -6.988 255 2HD2 ASN 30 1HD2 ASN 30 9.860 -2.431 -5.723 256 H GLN 31 H GLN 31 9.155 0.556 -8.576 257 HA GLN 31 HA GLN 31 9.509 0.981 -11.394 258 1HB GLN 31 1HB GLN 31 11.124 1.662 -8.951 259 2HB GLN 31 2HB GLN 31 11.768 1.918 -10.567 260 1HG GLN 31 1HG GLN 31 9.395 3.221 -9.278 261 2HG GLN 31 2HG GLN 31 10.861 3.975 -9.901 262 1HE2 GLN 31 2HE2 GLN 31 7.676 3.164 -10.549 263 2HE2 GLN 31 1HE2 GLN 31 7.666 3.484 -12.247 264 H ALA 32 H ALA 32 11.278 0.250 -12.663 265 HA ALA 32 HA ALA 32 11.897 -2.499 -12.284 266 1HB ALA 32 1HB ALA 32 12.784 -0.442 -14.284 267 2HB ALA 32 2HB ALA 32 13.418 -2.088 -14.292 268 3HB ALA 32 3HB ALA 32 11.691 -1.807 -14.515 269 H SER 33 H SER 33 13.209 0.238 -10.919 270 HA SER 33 HA SER 33 15.691 -1.200 -10.278 271 1HB SER 33 1HB SER 33 16.998 0.802 -10.446 272 2HB SER 33 2HB SER 33 16.063 0.675 -11.936 273 HG SER 33 HG SER 33 14.918 2.380 -11.384 274 H CYS 34 H CYS 34 13.245 -1.115 -8.809 275 HA CYS 34 HA CYS 34 14.100 0.406 -6.433 276 1HB CYS 34 1HB CYS 34 12.026 1.312 -7.352 277 2HB CYS 34 2HB CYS 34 11.288 -0.286 -7.313 278 H GLY 35 H GLY 35 11.756 -2.204 -7.055 279 1HA GLY 35 1HA GLY 35 13.275 -3.939 -5.238 280 2HA GLY 35 2HA GLY 35 11.589 -3.612 -4.874 281 H LYS 36 H LYS 36 10.207 -5.099 -5.554 282 HA LYS 36 HA LYS 36 11.038 -6.890 -7.729 283 1HB LYS 36 1HB LYS 36 8.729 -7.356 -5.854 284 2HB LYS 36 2HB LYS 36 9.597 -8.535 -6.828 285 1HG LYS 36 1HG LYS 36 10.710 -7.056 -4.451 286 2HG LYS 36 2HG LYS 36 10.154 -8.731 -4.464 287 1HD LYS 36 1HD LYS 36 11.943 -8.630 -6.564 288 2HD LYS 36 2HD LYS 36 12.688 -7.602 -5.338 289 1HE LYS 36 1HE LYS 36 11.856 -9.723 -3.847 290 2HE LYS 36 2HE LYS 36 12.272 -10.504 -5.371 291 1HZ LYS 36 1HZ LYS 36 14.411 -9.067 -5.138 292 2HZ LYS 36 2HZ LYS 36 14.003 -9.055 -3.496 293 3HZ LYS 36 3HZ LYS 36 14.272 -10.524 -4.289 294 H ARG 37 H ARG 37 9.516 -7.494 -9.356 295 HA ARG 37 HA ARG 37 8.009 -5.302 -10.352 296 1HB ARG 37 1HB ARG 37 9.171 -7.372 -11.555 297 2HB ARG 37 2HB ARG 37 7.556 -8.053 -11.405 298 1HG ARG 37 1HG ARG 37 6.730 -5.906 -12.500 299 2HG ARG 37 2HG ARG 37 8.420 -5.609 -12.912 300 1HD ARG 37 1HD ARG 37 7.665 -8.312 -13.566 301 2HD ARG 37 2HD ARG 37 6.570 -7.158 -14.326 302 HE ARG 37 HE ARG 37 9.375 -6.548 -14.632 303 1HH1 ARG 37 1HH1 ARG 37 6.604 -8.185 -15.955 304 2HH1 ARG 37 2HH1 ARG 37 7.228 -8.217 -17.569 305 1HH2 ARG 37 1HH2 ARG 37 10.209 -6.579 -16.756 306 2HH2 ARG 37 2HH2 ARG 37 9.278 -7.302 -18.026 307 H ALA 38 H ALA 38 6.592 -4.956 -8.510 308 HA ALA 38 HA ALA 38 4.261 -6.759 -8.559 309 1HB ALA 38 1HB ALA 38 5.537 -5.350 -6.232 310 2HB ALA 38 2HB ALA 38 3.885 -5.963 -6.173 311 3HB ALA 38 3HB ALA 38 5.228 -7.074 -6.438 312 H ILE 39 H ILE 39 2.407 -5.384 -7.251 313 HA ILE 39 HA ILE 39 2.090 -2.940 -8.861 314 HB ILE 39 HB ILE 39 0.001 -4.750 -7.646 315 1HG1 ILE 39 1HG1 ILE 39 1.274 -5.387 -9.808 316 2HG1 ILE 39 2HG1 ILE 39 -0.486 -5.464 -9.822 317 1HG2 ILE 39 1HG2 ILE 39 -0.267 -2.116 -9.072 318 2HG2 ILE 39 2HG2 ILE 39 -1.598 -3.263 -8.913 319 3HG2 ILE 39 3HG2 ILE 39 -0.865 -2.557 -7.472 320 1HD1 ILE 39 1HD1 ILE 39 -0.425 -3.130 -10.811 321 2HD1 ILE 39 2HD1 ILE 39 1.298 -3.404 -11.065 322 3HD1 ILE 39 3HD1 ILE 39 0.115 -4.454 -11.843 323 H ILE 40 H ILE 40 1.324 -1.047 -7.916 324 HA ILE 40 HA ILE 40 1.639 -0.935 -4.995 325 HB ILE 40 HB ILE 40 1.555 1.490 -6.757 326 1HG1 ILE 40 1HG1 ILE 40 3.225 -0.038 -7.739 327 2HG1 ILE 40 2HG1 ILE 40 3.983 1.379 -7.016 328 1HG2 ILE 40 1HG2 ILE 40 2.590 0.809 -4.033 329 2HG2 ILE 40 2HG2 ILE 40 3.221 2.203 -4.911 330 3HG2 ILE 40 3HG2 ILE 40 1.502 2.108 -4.524 331 1HD1 ILE 40 1HD1 ILE 40 3.729 -0.971 -5.266 332 2HD1 ILE 40 2HD1 ILE 40 4.833 -1.130 -6.630 333 3HD1 ILE 40 3HD1 ILE 40 5.060 0.169 -5.460 334 H LEU 41 H LEU 41 0.066 -0.082 -3.692 335 HA LEU 41 HA LEU 41 -2.459 0.681 -5.004 336 1HB LEU 41 1HB LEU 41 -2.146 -0.895 -2.450 337 2HB LEU 41 2HB LEU 41 -3.666 -0.392 -3.161 338 HG LEU 41 HG LEU 41 -1.719 -2.400 -4.284 339 1HD1 LEU 41 1HD1 LEU 41 -4.471 -2.566 -3.099 340 2HD1 LEU 41 2HD1 LEU 41 -3.818 -3.833 -4.138 341 3HD1 LEU 41 3HD1 LEU 41 -3.010 -3.431 -2.621 342 1HD2 LEU 41 1HD2 LEU 41 -3.535 -0.696 -5.669 343 2HD2 LEU 41 2HD2 LEU 41 -2.511 -1.981 -6.312 344 3HD2 LEU 41 3HD2 LEU 41 -4.139 -2.352 -5.741 345 H GLU 42 H GLU 42 -3.323 2.555 -4.394 346 HA GLU 42 HA GLU 42 -2.282 3.838 -1.953 347 1HB GLU 42 1HB GLU 42 -1.450 4.939 -3.991 348 2HB GLU 42 2HB GLU 42 -3.105 5.175 -4.538 349 1HG GLU 42 1HG GLU 42 -3.503 6.542 -2.487 350 2HG GLU 42 2HG GLU 42 -1.775 6.427 -2.152 351 H THR 43 H THR 43 -3.762 4.346 -0.463 352 HA THR 43 HA THR 43 -6.594 4.215 -1.244 353 HB THR 43 HB THR 43 -7.107 3.647 1.001 354 HG1 THR 43 HG1 THR 43 -5.591 3.799 2.655 355 1HG2 THR 43 1HG2 THR 43 -4.516 2.273 0.329 356 2HG2 THR 43 2HG2 THR 43 -5.688 1.735 1.533 357 3HG2 THR 43 3HG2 THR 43 -6.130 1.769 -0.174 358 H ARG 44 H ARG 44 -8.082 5.657 -0.023 359 HA ARG 44 HA ARG 44 -7.416 8.353 -0.432 360 1HB ARG 44 1HB ARG 44 -9.534 8.664 1.101 361 2HB ARG 44 2HB ARG 44 -9.688 8.017 -0.528 362 1HG ARG 44 1HG ARG 44 -10.076 5.865 0.221 363 2HG ARG 44 2HG ARG 44 -9.333 6.170 1.792 364 1HD ARG 44 1HD ARG 44 -11.239 6.967 2.673 365 2HD ARG 44 2HD ARG 44 -11.660 7.852 1.207 366 HE ARG 44 HE ARG 44 -12.004 5.106 0.745 367 1HH1 ARG 44 1HH1 ARG 44 -13.405 7.707 2.589 368 2HH1 ARG 44 2HH1 ARG 44 -14.995 7.023 2.592 369 1HH2 ARG 44 1HH2 ARG 44 -14.096 4.195 0.743 370 2HH2 ARG 44 2HH2 ARG 44 -15.389 5.025 1.543 371 H GLN 45 H GLN 45 -6.583 6.290 2.091 372 HA GLN 45 HA GLN 45 -6.239 8.502 3.990 373 1HB GLN 45 1HB GLN 45 -5.782 5.599 4.625 374 2HB GLN 45 2HB GLN 45 -6.170 6.916 5.722 375 1HG GLN 45 1HG GLN 45 -8.214 6.420 3.696 376 2HG GLN 45 2HG GLN 45 -7.933 5.067 4.791 377 1HE2 GLN 45 2HE2 GLN 45 -9.642 5.130 6.101 378 2HE2 GLN 45 1HE2 GLN 45 -10.118 6.492 7.051 379 H HIS 46 H HIS 46 -4.568 8.011 1.616 380 HA HIS 46 HA HIS 46 -2.380 8.003 1.000 381 1HB HIS 46 1HB HIS 46 -1.848 8.714 3.890 382 2HB HIS 46 2HB HIS 46 -0.808 9.045 2.508 383 HD1 HIS 46 HD1 HIS 46 -3.540 9.972 0.854 384 HD2 HIS 46 HD2 HIS 46 -1.912 11.528 4.345 385 HE1 HIS 46 HE1 HIS 46 -4.407 12.328 1.007 386 HE2 HIS 46 HE2 HIS 46 -3.318 13.284 3.069 387 H ARG 47 H ARG 47 -3.297 5.492 1.438 388 HA ARG 47 HA ARG 47 -1.209 4.154 3.015 389 1HB ARG 47 1HB ARG 47 -3.606 3.625 3.509 390 2HB ARG 47 2HB ARG 47 -3.741 2.959 1.891 391 1HG ARG 47 1HG ARG 47 -1.611 1.597 2.764 392 2HG ARG 47 2HG ARG 47 -2.471 1.850 4.280 393 1HD ARG 47 1HD ARG 47 -4.537 1.066 2.859 394 2HD ARG 47 2HD ARG 47 -3.289 0.314 1.866 395 HE ARG 47 HE ARG 47 -3.012 -1.254 3.500 396 1HH1 ARG 47 1HH1 ARG 47 -4.601 1.520 4.877 397 2HH1 ARG 47 2HH1 ARG 47 -4.867 0.768 6.415 398 1HH2 ARG 47 1HH2 ARG 47 -3.353 -2.255 5.521 399 2HH2 ARG 47 2HH2 ARG 47 -4.155 -1.378 6.781 400 H LEU 48 H LEU 48 0.514 3.608 1.863 401 HA LEU 48 HA LEU 48 0.128 2.695 -0.910 402 1HB LEU 48 1HB LEU 48 2.684 3.706 0.330 403 2HB LEU 48 2HB LEU 48 2.382 3.387 -1.367 404 HG LEU 48 HG LEU 48 0.931 5.521 0.192 405 1HD1 LEU 48 1HD1 LEU 48 3.415 5.734 -1.500 406 2HD1 LEU 48 2HD1 LEU 48 2.445 7.106 -0.964 407 3HD1 LEU 48 3HD1 LEU 48 3.264 6.088 0.221 408 1HD2 LEU 48 1HD2 LEU 48 0.935 4.562 -2.606 409 2HD2 LEU 48 2HD2 LEU 48 -0.369 5.262 -1.646 410 3HD2 LEU 48 3HD2 LEU 48 0.861 6.307 -2.359 411 H PHE 49 H PHE 49 0.272 0.577 -1.176 412 HA PHE 49 HA PHE 49 2.272 -0.915 0.371 413 1HB PHE 49 1HB PHE 49 -0.651 -1.554 0.069 414 2HB PHE 49 2HB PHE 49 0.527 -2.823 0.383 415 HD1 PHE 49 HD1 PHE 49 -0.302 0.580 1.690 416 HD2 PHE 49 HD2 PHE 49 0.777 -3.450 2.573 417 HE1 PHE 49 HE1 PHE 49 -0.418 1.084 4.099 418 HE2 PHE 49 HE2 PHE 49 0.661 -2.955 4.987 419 HZ PHE 49 HZ PHE 49 0.066 -0.686 5.752 420 H CYS 50 H CYS 50 2.545 -3.186 -0.587 421 HA CYS 50 HA CYS 50 2.406 -3.010 -3.526 422 1HB CYS 50 1HB CYS 50 4.637 -3.780 -1.708 423 2HB CYS 50 2HB CYS 50 4.488 -4.651 -3.230 424 H ALA 51 H ALA 51 0.902 -4.385 -4.212 425 HA ALA 51 HA ALA 51 0.726 -7.030 -2.918 426 1HB ALA 51 1HB ALA 51 -1.415 -5.377 -4.244 427 2HB ALA 51 2HB ALA 51 -1.624 -7.069 -3.794 428 3HB ALA 51 3HB ALA 51 -1.313 -5.857 -2.551 429 H ASP 52 H ASP 52 0.663 -8.857 -4.185 430 HA ASP 52 HA ASP 52 1.948 -8.720 -6.707 431 1HB ASP 52 1HB ASP 52 1.233 -10.748 -4.828 432 2HB ASP 52 2HB ASP 52 0.659 -11.241 -6.419 433 HA PRO 53 HA PRO 53 -1.482 -7.862 -9.365 434 1HB PRO 53 1HB PRO 53 -0.416 -9.018 -11.635 435 2HB PRO 53 2HB PRO 53 -0.067 -7.379 -11.077 436 1HG PRO 53 1HG PRO 53 1.514 -9.886 -10.712 437 2HG PRO 53 2HG PRO 53 2.081 -8.244 -11.067 438 1HD PRO 53 1HD PRO 53 2.255 -9.283 -8.602 439 2HD PRO 53 2HD PRO 53 1.878 -7.565 -8.856 440 H LYS 54 H LYS 54 -0.298 -10.979 -8.599 441 HA LYS 54 HA LYS 54 -2.232 -12.452 -10.139 442 1HB LYS 54 1HB LYS 54 -1.274 -14.399 -9.229 443 2HB LYS 54 2HB LYS 54 0.071 -13.281 -9.416 444 1HG LYS 54 1HG LYS 54 0.559 -13.805 -7.308 445 2HG LYS 54 2HG LYS 54 -0.776 -12.733 -6.882 446 1HD LYS 54 1HD LYS 54 -1.135 -14.769 -5.714 447 2HD LYS 54 2HD LYS 54 -2.293 -14.735 -7.046 448 1HE LYS 54 1HE LYS 54 -1.423 -16.567 -7.974 449 2HE LYS 54 2HE LYS 54 0.224 -15.962 -7.807 450 1HZ LYS 54 1HZ LYS 54 -1.344 -17.244 -5.634 451 2HZ LYS 54 2HZ LYS 54 -0.150 -18.013 -6.553 452 3HZ LYS 54 3HZ LYS 54 0.264 -16.728 -5.535 453 H GLU 55 H GLU 55 -1.928 -11.262 -6.855 454 HA GLU 55 HA GLU 55 -3.844 -12.685 -5.511 455 1HB GLU 55 1HB GLU 55 -3.276 -9.721 -5.329 456 2HB GLU 55 2HB GLU 55 -4.212 -10.629 -4.149 457 1HG GLU 55 1HG GLU 55 -2.189 -12.078 -3.814 458 2HG GLU 55 2HG GLU 55 -1.295 -10.925 -4.802 459 H GLN 56 H GLN 56 -6.018 -12.808 -5.471 460 HA GLN 56 HA GLN 56 -7.537 -12.025 -7.669 461 1HB GLN 56 1HB GLN 56 -8.139 -13.854 -6.109 462 2HB GLN 56 2HB GLN 56 -8.542 -12.653 -4.888 463 1HG GLN 56 1HG GLN 56 -9.887 -12.885 -7.571 464 2HG GLN 56 2HG GLN 56 -10.507 -13.567 -6.068 465 1HE2 GLN 56 2HE2 GLN 56 -10.240 -10.792 -8.019 466 2HE2 GLN 56 1HE2 GLN 56 -11.059 -9.686 -6.975 467 H TRP 57 H TRP 57 -7.628 -10.657 -4.371 468 HA TRP 57 HA TRP 57 -9.413 -8.600 -4.872 469 1HB TRP 57 1HB TRP 57 -8.768 -7.680 -2.822 470 2HB TRP 57 2HB TRP 57 -8.392 -9.391 -2.642 471 HD1 TRP 57 HD1 TRP 57 -5.675 -10.003 -3.144 472 HE1 TRP 57 HE1 TRP 57 -3.606 -8.665 -2.398 473 HE3 TRP 57 HE3 TRP 57 -7.900 -5.473 -2.294 474 HZ2 TRP 57 HZ2 TRP 57 -2.996 -6.035 -1.559 475 HZ3 TRP 57 HZ3 TRP 57 -6.505 -3.596 -1.520 476 HH2 TRP 57 HH2 TRP 57 -4.102 -3.873 -1.160 477 H VAL 58 H VAL 58 -6.214 -8.940 -6.017 478 HA VAL 58 HA VAL 58 -5.812 -6.091 -6.430 479 HB VAL 58 HB VAL 58 -4.140 -8.493 -7.166 480 1HG1 VAL 58 1HG1 VAL 58 -4.051 -5.764 -8.178 481 2HG1 VAL 58 2HG1 VAL 58 -2.528 -6.286 -7.460 482 3HG1 VAL 58 3HG1 VAL 58 -3.250 -7.218 -8.771 483 1HG2 VAL 58 1HG2 VAL 58 -3.875 -6.318 -5.102 484 2HG2 VAL 58 2HG2 VAL 58 -4.025 -8.055 -4.836 485 3HG2 VAL 58 3HG2 VAL 58 -2.552 -7.395 -5.546 486 H LYS 59 H LYS 59 -6.845 -8.906 -8.186 487 HA LYS 59 HA LYS 59 -6.596 -7.780 -10.800 488 1HB LYS 59 1HB LYS 59 -8.162 -10.125 -9.720 489 2HB LYS 59 2HB LYS 59 -8.147 -9.689 -11.420 490 1HG LYS 59 1HG LYS 59 -5.910 -10.263 -11.679 491 2HG LYS 59 2HG LYS 59 -5.600 -10.207 -9.941 492 1HD LYS 59 1HD LYS 59 -6.786 -12.215 -9.569 493 2HD LYS 59 2HD LYS 59 -7.490 -12.186 -11.185 494 1HE LYS 59 1HE LYS 59 -4.523 -12.299 -10.872 495 2HE LYS 59 2HE LYS 59 -5.475 -13.766 -10.647 496 1HZ LYS 59 1HZ LYS 59 -6.344 -12.488 -12.985 497 2HZ LYS 59 2HZ LYS 59 -4.657 -12.594 -13.046 498 3HZ LYS 59 3HZ LYS 59 -5.585 -13.991 -12.832 499 H ASP 60 H ASP 60 -9.355 -8.389 -8.636 500 HA ASP 60 HA ASP 60 -11.235 -7.022 -10.268 501 1HB ASP 60 1HB ASP 60 -11.284 -7.884 -7.374 502 2HB ASP 60 2HB ASP 60 -12.640 -7.065 -8.144 503 H ALA 61 H ALA 61 -9.361 -6.113 -7.390 504 HA ALA 61 HA ALA 61 -10.450 -3.614 -6.915 505 1HB ALA 61 1HB ALA 61 -7.635 -4.618 -6.556 506 2HB ALA 61 2HB ALA 61 -8.171 -3.034 -5.997 507 3HB ALA 61 3HB ALA 61 -8.909 -4.497 -5.344 508 H MET 62 H MET 62 -7.730 -4.473 -9.041 509 HA MET 62 HA MET 62 -7.327 -1.843 -10.019 510 1HB MET 62 1HB MET 62 -6.467 -4.570 -10.940 511 2HB MET 62 2HB MET 62 -6.144 -3.149 -11.925 512 1HG MET 62 1HG MET 62 -4.972 -2.149 -9.967 513 2HG MET 62 2HG MET 62 -5.174 -3.688 -9.129 514 1HE MET 62 1HE MET 62 -4.329 -6.000 -10.240 515 2HE MET 62 2HE MET 62 -4.828 -5.585 -11.880 516 3HE MET 62 3HE MET 62 -3.166 -6.080 -11.564 517 H GLN 63 H GLN 63 -8.783 -4.705 -11.580 518 HA GLN 63 HA GLN 63 -9.654 -3.595 -13.914 519 1HB GLN 63 1HB GLN 63 -9.995 -5.995 -12.880 520 2HB GLN 63 2HB GLN 63 -11.558 -5.345 -12.404 521 1HG GLN 63 1HG GLN 63 -12.367 -5.441 -14.483 522 2HG GLN 63 2HG GLN 63 -10.872 -4.839 -15.197 523 1HE2 GLN 63 1HE2 GLN 63 -12.650 -7.034 -16.009 524 2HE2 GLN 63 2HE2 GLN 63 -11.647 -8.439 -16.095 525 H HIS 64 H HIS 64 -10.814 -3.017 -10.705 526 HA HIS 64 HA HIS 64 -13.270 -1.765 -11.469 527 1HB HIS 64 1HB HIS 64 -12.830 -2.825 -9.226 528 2HB HIS 64 2HB HIS 64 -11.778 -1.461 -8.859 529 HD1 HIS 64 HD1 HIS 64 -15.412 -2.205 -9.615 530 HD2 HIS 64 HD2 HIS 64 -13.055 0.756 -7.901 531 HE1 HIS 64 HE1 HIS 64 -17.025 -0.566 -8.599 532 HE2 HIS 64 HE2 HIS 64 -15.578 1.248 -7.617 533 H LEU 65 H LEU 65 -10.110 -0.605 -10.357 534 HA LEU 65 HA LEU 65 -10.666 2.137 -10.484 535 1HB LEU 65 1HB LEU 65 -8.031 0.727 -10.908 536 2HB LEU 65 2HB LEU 65 -8.226 2.435 -10.563 537 HG LEU 65 HG LEU 65 -8.961 0.172 -8.706 538 1HD1 LEU 65 1HD1 LEU 65 -6.495 0.696 -9.133 539 2HD1 LEU 65 2HD1 LEU 65 -6.806 2.217 -8.298 540 3HD1 LEU 65 3HD1 LEU 65 -7.053 0.685 -7.460 541 1HD2 LEU 65 1HD2 LEU 65 -9.737 2.948 -8.775 542 2HD2 LEU 65 2HD2 LEU 65 -10.278 1.656 -7.705 543 3HD2 LEU 65 3HD2 LEU 65 -8.826 2.577 -7.310 544 H ASP 66 H ASP 66 -9.449 -0.106 -12.927 545 HA ASP 66 HA ASP 66 -8.840 1.775 -14.917 546 1HB ASP 66 1HB ASP 66 -9.524 -1.147 -14.953 547 2HB ASP 66 2HB ASP 66 -9.351 -0.264 -16.467 548 H ARG 67 H ARG 67 -11.861 0.344 -13.915 549 HA ARG 67 HA ARG 67 -13.273 1.498 -16.195 550 1HB ARG 67 1HB ARG 67 -14.356 -0.162 -13.913 551 2HB ARG 67 2HB ARG 67 -15.217 0.281 -15.381 552 1HG ARG 67 1HG ARG 67 -12.813 -0.994 -16.155 553 2HG ARG 67 2HG ARG 67 -13.564 -1.976 -14.896 554 1HD ARG 67 1HD ARG 67 -14.441 -2.744 -16.954 555 2HD ARG 67 2HD ARG 67 -15.714 -1.791 -16.194 556 HE ARG 67 HE ARG 67 -14.527 0.026 -17.762 557 1HH1 ARG 67 1HH1 ARG 67 -15.626 -3.217 -18.396 558 2HH1 ARG 67 2HH1 ARG 67 -15.985 -2.907 -20.062 559 1HH2 ARG 67 1HH2 ARG 67 -14.997 0.444 -19.954 560 2HH2 ARG 67 2HH2 ARG 67 -15.627 -0.826 -20.948 561 H GLN 68 H GLN 68 -12.073 3.287 -14.311 562 HA GLN 68 HA GLN 68 -14.474 4.744 -13.512 563 1HB GLN 68 1HB GLN 68 -12.632 3.488 -11.668 564 2HB GLN 68 2HB GLN 68 -12.660 5.230 -11.431 565 1HG GLN 68 1HG GLN 68 -14.319 4.539 -10.009 566 2HG GLN 68 2HG GLN 68 -15.237 4.929 -11.463 567 1HE2 GLN 68 2HE2 GLN 68 -13.490 2.179 -10.051 568 2HE2 GLN 68 1HE2 GLN 68 -14.676 0.994 -10.468 569 H ALA 69 H ALA 69 -10.965 5.101 -12.986 570 HA ALA 69 HA ALA 69 -10.969 7.871 -13.547 571 1HB ALA 69 1HB ALA 69 -9.237 6.298 -12.300 572 2HB ALA 69 2HB ALA 69 -8.464 6.321 -13.885 573 3HB ALA 69 3HB ALA 69 -8.755 7.832 -13.024 574 H ALA 70 H ALA 70 -10.928 5.113 -15.573 575 HA ALA 70 HA ALA 70 -9.613 6.310 -17.817 576 1HB ALA 70 1HB ALA 70 -9.947 3.798 -17.254 577 2HB ALA 70 2HB ALA 70 -11.498 4.001 -18.067 578 3HB ALA 70 3HB ALA 70 -9.998 4.323 -18.938 579 H ALA 71 H ALA 71 -12.965 5.877 -16.807 580 HA ALA 71 HA ALA 71 -14.015 7.037 -19.217 581 1HB ALA 71 1HB ALA 71 -15.065 5.276 -17.522 582 2HB ALA 71 2HB ALA 71 -15.735 6.752 -16.828 583 3HB ALA 71 3HB ALA 71 -16.057 6.345 -18.513 584 H LEU 72 H LEU 72 -12.580 8.293 -16.503 585 HA LEU 72 HA LEU 72 -14.052 10.829 -16.777 586 1HB LEU 72 1HB LEU 72 -14.135 9.489 -14.545 587 2HB LEU 72 2HB LEU 72 -12.512 10.109 -14.311 588 HG LEU 72 HG LEU 72 -14.516 11.384 -13.277 589 1HD1 LEU 72 1HD1 LEU 72 -12.015 12.086 -13.742 590 2HD1 LEU 72 2HD1 LEU 72 -12.788 13.207 -14.862 591 3HD1 LEU 72 3HD1 LEU 72 -13.204 13.244 -13.148 592 1HD2 LEU 72 1HD2 LEU 72 -15.584 11.360 -15.684 593 2HD2 LEU 72 2HD2 LEU 72 -15.816 12.724 -14.592 594 3HD2 LEU 72 3HD2 LEU 72 -14.614 12.820 -15.878 595 H THR 73 H THR 73 -11.053 9.237 -17.040 596 HA THR 73 HA THR 73 -9.743 11.802 -17.585 597 HB THR 73 HB THR 73 -7.900 11.403 -16.244 598 HG1 THR 73 HG1 THR 73 -8.642 8.673 -16.070 599 1HG2 THR 73 1HG2 THR 73 -9.959 11.647 -14.831 600 2HG2 THR 73 2HG2 THR 73 -9.935 9.894 -14.636 601 3HG2 THR 73 3HG2 THR 73 -8.584 10.866 -14.052 602 H ARG 74 H ARG 74 -10.854 9.832 -19.359 603 HA ARG 74 HA ARG 74 -9.222 7.953 -20.443 604 1HB ARG 74 1HB ARG 74 -10.185 8.698 -22.704 605 2HB ARG 74 2HB ARG 74 -11.322 8.207 -21.454 606 1HG ARG 74 1HG ARG 74 -12.014 10.393 -21.052 607 2HG ARG 74 2HG ARG 74 -10.591 11.085 -21.832 608 1HD ARG 74 1HD ARG 74 -12.556 11.350 -23.240 609 2HD ARG 74 2HD ARG 74 -11.385 10.270 -23.998 610 HE ARG 74 HE ARG 74 -12.992 8.534 -22.754 611 1HH1 ARG 74 1HH1 ARG 74 -13.691 11.279 -24.778 612 2HH1 ARG 74 2HH1 ARG 74 -15.167 10.617 -25.392 613 1HH2 ARG 74 1HH2 ARG 74 -14.935 7.649 -23.555 614 2HH2 ARG 74 2HH2 ARG 74 -15.876 8.552 -24.696 615 H ASN 75 H ASN 75 -7.443 7.852 -21.739 616 HA ASN 75 HA ASN 75 -6.189 10.393 -22.524 617 1HB ASN 75 1HB ASN 75 -3.991 9.501 -21.882 618 2HB ASN 75 2HB ASN 75 -5.075 9.586 -20.497 619 1HD2 ASN 75 2HD2 ASN 75 -5.843 7.699 -19.572 620 2HD2 ASN 75 1HD2 ASN 75 -5.144 6.155 -19.909 621 H GLY 76 H GLY 76 -6.450 6.911 -23.038 622 1HA GLY 76 1HA GLY 76 -6.042 7.330 -25.887 623 2HA GLY 76 2HA GLY 76 -4.848 6.317 -25.089 Start of MODEL 20 1 2H MET 0 2H MET 0 23.727 7.218 9.983 2 3H MET 0 3H MET 0 22.334 7.245 8.982 3 1H MET 0 1H MET 0 22.162 7.182 10.685 4 HA MET 0 HA MET 0 22.525 5.104 8.807 5 1HB MET 0 1HB MET 0 24.882 5.471 9.600 6 2HB MET 0 2HB MET 0 24.331 5.123 11.233 7 1HG MET 0 1HG MET 0 23.524 2.899 10.343 8 2HG MET 0 2HG MET 0 24.430 3.268 8.876 9 1HE MET 0 1HE MET 0 24.678 3.307 12.710 10 2HE MET 0 2HE MET 0 24.712 1.576 12.379 11 3HE MET 0 3HE MET 0 26.139 2.377 13.038 12 H GLN 1 H GLN 1 22.678 5.599 12.341 13 HA GLN 1 HA GLN 1 21.221 3.505 13.229 14 1HB GLN 1 1HB GLN 1 22.008 5.996 14.279 15 2HB GLN 1 2HB GLN 1 20.288 5.851 14.617 16 1HG GLN 1 1HG GLN 1 20.623 3.798 15.791 17 2HG GLN 1 2HG GLN 1 22.315 3.737 15.301 18 1HE2 GLN 1 2HE2 GLN 1 23.816 4.892 16.411 19 2HE2 GLN 1 1HE2 GLN 1 23.468 5.790 17.845 20 H HIS 2 H HIS 2 19.923 6.464 11.809 21 HA HIS 2 HA HIS 2 17.690 5.339 10.667 22 1HB HIS 2 1HB HIS 2 15.971 6.368 12.386 23 2HB HIS 2 2HB HIS 2 16.604 4.739 12.609 24 HD1 HIS 2 HD1 HIS 2 18.766 7.658 13.451 25 HD2 HIS 2 HD2 HIS 2 16.298 4.938 15.395 26 HE1 HIS 2 HE1 HIS 2 19.263 7.931 15.900 27 HE2 HIS 2 HE2 HIS 2 17.702 6.332 17.062 28 H HIS 3 H HIS 3 18.062 6.823 9.073 29 HA HIS 3 HA HIS 3 16.733 9.216 9.032 30 1HB HIS 3 1HB HIS 3 18.127 10.160 10.708 31 2HB HIS 3 2HB HIS 3 19.588 9.534 9.949 32 HD1 HIS 3 HD1 HIS 3 17.603 12.528 10.213 33 HD2 HIS 3 HD2 HIS 3 20.085 10.851 7.334 34 HE1 HIS 3 HE1 HIS 3 18.198 14.412 8.657 35 HE2 HIS 3 HE2 HIS 3 19.632 13.356 6.877 36 H GLY 4 H GLY 4 19.810 7.753 8.040 37 1HA GLY 4 1HA GLY 4 19.230 8.653 5.285 38 2HA GLY 4 2HA GLY 4 20.856 8.458 5.923 39 H VAL 5 H VAL 5 18.304 6.171 6.601 40 HA VAL 5 HA VAL 5 19.661 4.225 4.848 41 HB VAL 5 HB VAL 5 20.049 3.623 7.152 42 1HG1 VAL 5 1HG1 VAL 5 17.300 4.488 7.467 43 2HG1 VAL 5 2HG1 VAL 5 17.595 2.923 8.224 44 3HG1 VAL 5 3HG1 VAL 5 18.576 4.317 8.672 45 1HG2 VAL 5 1HG2 VAL 5 18.798 1.976 5.264 46 2HG2 VAL 5 2HG2 VAL 5 19.783 1.477 6.639 47 3HG2 VAL 5 3HG2 VAL 5 18.032 1.603 6.807 48 H THR 6 H THR 6 18.258 4.646 3.106 49 HA THR 6 HA THR 6 15.573 3.501 3.462 50 HB THR 6 HB THR 6 15.519 5.445 1.363 51 HG1 THR 6 HG1 THR 6 15.771 7.265 2.940 52 1HG2 THR 6 1HG2 THR 6 14.139 5.160 4.003 53 2HG2 THR 6 2HG2 THR 6 13.873 6.557 2.960 54 3HG2 THR 6 3HG2 THR 6 13.489 4.938 2.379 55 H LYS 7 H LYS 7 14.808 3.825 0.753 56 HA LYS 7 HA LYS 7 16.629 2.938 -1.140 57 1HB LYS 7 1HB LYS 7 16.615 0.960 0.531 58 2HB LYS 7 2HB LYS 7 15.033 0.595 -0.144 59 1HG LYS 7 1HG LYS 7 15.894 0.041 -2.214 60 2HG LYS 7 2HG LYS 7 17.380 0.957 -1.955 61 1HD LYS 7 1HD LYS 7 18.117 -0.682 -0.306 62 2HD LYS 7 2HD LYS 7 16.617 -1.586 -0.519 63 1HE LYS 7 1HE LYS 7 17.917 -2.776 -1.946 64 2HE LYS 7 2HE LYS 7 17.414 -1.509 -3.063 65 1HZ LYS 7 1HZ LYS 7 19.864 -1.191 -1.454 66 2HZ LYS 7 2HZ LYS 7 19.895 -2.095 -2.884 67 3HZ LYS 7 3HZ LYS 7 19.454 -0.461 -2.924 68 H CYS 8 H CYS 8 15.369 4.331 -2.378 69 HA CYS 8 HA CYS 8 13.752 4.884 -3.880 70 1HB CYS 8 1HB CYS 8 14.115 2.572 -4.691 71 2HB CYS 8 2HB CYS 8 12.881 2.003 -3.571 72 H ASN 9 H ASN 9 11.886 5.973 -3.670 73 HA ASN 9 HA ASN 9 10.609 6.476 -1.365 74 1HB ASN 9 1HB ASN 9 8.469 6.724 -2.940 75 2HB ASN 9 2HB ASN 9 9.824 7.846 -3.023 76 1HD2 ASN 9 2HD2 ASN 9 8.110 5.303 -4.602 77 2HD2 ASN 9 1HD2 ASN 9 8.940 5.394 -6.115 78 H ILE 10 H ILE 10 9.720 3.859 -3.594 79 HA ILE 10 HA ILE 10 8.358 2.528 -1.353 80 HB ILE 10 HB ILE 10 6.717 3.625 -2.926 81 1HG1 ILE 10 1HG1 ILE 10 6.290 0.675 -3.059 82 2HG1 ILE 10 2HG1 ILE 10 6.490 1.410 -1.471 83 1HG2 ILE 10 1HG2 ILE 10 8.248 2.763 -4.919 84 2HG2 ILE 10 2HG2 ILE 10 7.137 1.397 -4.837 85 3HG2 ILE 10 3HG2 ILE 10 6.513 3.024 -5.110 86 1HD1 ILE 10 1HD1 ILE 10 4.481 2.364 -3.485 87 2HD1 ILE 10 2HD1 ILE 10 4.133 1.154 -2.250 88 3HD1 ILE 10 3HD1 ILE 10 4.596 2.789 -1.777 89 H THR 11 H THR 11 9.495 0.740 -0.981 90 HA THR 11 HA THR 11 10.613 -0.732 -3.269 91 HB THR 11 HB THR 11 12.159 0.086 -1.439 92 HG1 THR 11 HG1 THR 11 13.387 -1.566 -1.883 93 1HG2 THR 11 1HG2 THR 11 10.340 -0.938 0.307 94 2HG2 THR 11 2HG2 THR 11 11.563 -2.207 0.257 95 3HG2 THR 11 3HG2 THR 11 12.020 -0.559 0.686 96 H CYS 12 H CYS 12 9.561 -2.495 -3.876 97 HA CYS 12 HA CYS 12 7.514 -3.658 -2.226 98 1HB CYS 12 1HB CYS 12 8.593 -4.396 -4.949 99 2HB CYS 12 2HB CYS 12 7.273 -5.253 -4.161 100 H SER 13 H SER 13 9.071 -4.214 -0.476 101 HA SER 13 HA SER 13 10.947 -6.330 -0.897 102 1HB SER 13 1HB SER 13 10.099 -4.632 1.319 103 2HB SER 13 2HB SER 13 10.394 -6.296 1.824 104 HG SER 13 HG SER 13 12.237 -4.703 1.738 105 H LYS 14 H LYS 14 7.745 -6.134 0.630 106 HA LYS 14 HA LYS 14 7.425 -9.013 0.133 107 1HB LYS 14 1HB LYS 14 7.700 -7.859 2.665 108 2HB LYS 14 2HB LYS 14 5.974 -8.147 2.487 109 1HG LYS 14 1HG LYS 14 7.016 -10.042 3.541 110 2HG LYS 14 2HG LYS 14 6.443 -10.497 1.935 111 1HD LYS 14 1HD LYS 14 8.656 -10.386 1.038 112 2HD LYS 14 2HD LYS 14 9.281 -9.675 2.528 113 1HE LYS 14 1HE LYS 14 7.992 -12.100 3.213 114 2HE LYS 14 2HE LYS 14 9.026 -12.426 1.824 115 1HZ LYS 14 1HZ LYS 14 10.716 -11.036 3.259 116 2HZ LYS 14 2HZ LYS 14 9.756 -11.598 4.533 117 3HZ LYS 14 3HZ LYS 14 10.517 -12.698 3.496 118 H MET 15 H MET 15 4.937 -9.517 0.738 119 HA MET 15 HA MET 15 3.360 -7.537 -0.769 120 1HB MET 15 1HB MET 15 3.029 -10.536 -0.617 121 2HB MET 15 2HB MET 15 1.919 -9.451 -1.441 122 1HG MET 15 1HG MET 15 4.783 -10.026 -2.141 123 2HG MET 15 2HG MET 15 3.342 -10.420 -3.075 124 1HE MET 15 1HE MET 15 6.205 -8.624 -2.818 125 2HE MET 15 2HE MET 15 5.913 -8.440 -4.547 126 3HE MET 15 3HE MET 15 6.018 -7.014 -3.514 127 H THR 16 H THR 16 1.691 -6.620 0.230 128 HA THR 16 HA THR 16 1.121 -7.191 2.955 129 HB THR 16 HB THR 16 0.911 -4.946 1.754 130 HG1 THR 16 HG1 THR 16 0.108 -4.809 3.715 131 1HG2 THR 16 1HG2 THR 16 -0.957 -6.296 0.199 132 2HG2 THR 16 2HG2 THR 16 -1.902 -5.253 1.259 133 3HG2 THR 16 3HG2 THR 16 -0.647 -4.562 0.234 134 H SER 17 H SER 17 -1.561 -7.037 3.283 135 HA SER 17 HA SER 17 -2.490 -9.572 2.113 136 1HB SER 17 1HB SER 17 -3.937 -9.775 4.096 137 2HB SER 17 2HB SER 17 -2.242 -9.622 4.554 138 HG SER 17 HG SER 17 -2.737 -7.306 4.793 139 H LYS 18 H LYS 18 -4.941 -9.732 1.996 140 HA LYS 18 HA LYS 18 -5.989 -8.097 0.106 141 1HB LYS 18 1HB LYS 18 -7.159 -10.085 0.656 142 2HB LYS 18 2HB LYS 18 -7.375 -9.587 2.327 143 1HG LYS 18 1HG LYS 18 -9.442 -9.064 1.638 144 2HG LYS 18 2HG LYS 18 -8.670 -7.589 1.055 145 1HD LYS 18 1HD LYS 18 -8.578 -8.369 -1.150 146 2HD LYS 18 2HD LYS 18 -8.859 -10.041 -0.662 147 1HE LYS 18 1HE LYS 18 -10.917 -9.431 -1.517 148 2HE LYS 18 2HE LYS 18 -11.129 -9.142 0.209 149 1HZ LYS 18 1HZ LYS 18 -10.188 -6.946 -1.498 150 2HZ LYS 18 2HZ LYS 18 -11.831 -7.351 -1.520 151 3HZ LYS 18 3HZ LYS 18 -11.094 -6.884 -0.071 152 H ILE 19 H ILE 19 -7.212 -6.235 0.007 153 HA ILE 19 HA ILE 19 -7.672 -4.748 2.485 154 HB ILE 19 HB ILE 19 -6.338 -3.487 0.088 155 1HG1 ILE 19 1HG1 ILE 19 -5.181 -4.355 2.744 156 2HG1 ILE 19 2HG1 ILE 19 -4.763 -4.986 1.154 157 1HG2 ILE 19 1HG2 ILE 19 -7.873 -2.148 1.671 158 2HG2 ILE 19 2HG2 ILE 19 -6.554 -2.308 2.831 159 3HG2 ILE 19 3HG2 ILE 19 -6.277 -1.500 1.288 160 1HD1 ILE 19 1HD1 ILE 19 -4.400 -2.085 1.619 161 2HD1 ILE 19 2HD1 ILE 19 -3.273 -3.198 2.394 162 3HD1 ILE 19 3HD1 ILE 19 -3.455 -3.207 0.640 163 HA PRO 20 HA PRO 20 -11.677 -4.101 0.731 164 1HB PRO 20 1HB PRO 20 -11.448 -1.499 2.162 165 2HB PRO 20 2HB PRO 20 -12.738 -2.698 2.215 166 1HG PRO 20 1HG PRO 20 -11.002 -2.456 4.217 167 2HG PRO 20 2HG PRO 20 -11.600 -4.037 3.700 168 1HD PRO 20 1HD PRO 20 -8.946 -2.778 3.238 169 2HD PRO 20 2HD PRO 20 -9.359 -4.489 3.469 170 H VAL 21 H VAL 21 -11.693 -3.668 -1.396 171 HA VAL 21 HA VAL 21 -10.182 -1.799 -2.767 172 HB VAL 21 HB VAL 21 -11.596 -3.687 -3.736 173 1HG1 VAL 21 1HG1 VAL 21 -13.697 -2.744 -2.603 174 2HG1 VAL 21 2HG1 VAL 21 -13.747 -1.609 -3.952 175 3HG1 VAL 21 3HG1 VAL 21 -13.846 -3.343 -4.256 176 1HG2 VAL 21 1HG2 VAL 21 -10.596 -1.352 -4.850 177 2HG2 VAL 21 2HG2 VAL 21 -11.085 -2.807 -5.719 178 3HG2 VAL 21 3HG2 VAL 21 -12.229 -1.482 -5.503 179 H ALA 22 H ALA 22 -13.034 -1.349 -0.873 180 HA ALA 22 HA ALA 22 -13.945 1.080 -1.996 181 1HB ALA 22 1HB ALA 22 -15.147 -0.510 -0.374 182 2HB ALA 22 2HB ALA 22 -14.292 0.367 0.896 183 3HB ALA 22 3HB ALA 22 -15.398 1.225 -0.178 184 H LEU 23 H LEU 23 -11.113 0.395 -0.361 185 HA LEU 23 HA LEU 23 -10.870 3.119 0.710 186 1HB LEU 23 1HB LEU 23 -9.085 0.731 1.182 187 2HB LEU 23 2HB LEU 23 -8.970 2.287 1.983 188 HG LEU 23 HG LEU 23 -11.467 0.640 2.214 189 1HD1 LEU 23 1HD1 LEU 23 -9.579 -0.807 2.836 190 2HD1 LEU 23 2HD1 LEU 23 -9.038 0.415 3.985 191 3HD1 LEU 23 3HD1 LEU 23 -10.588 -0.390 4.221 192 1HD2 LEU 23 1HD2 LEU 23 -10.600 3.149 3.172 193 2HD2 LEU 23 2HD2 LEU 23 -12.099 2.296 3.542 194 3HD2 LEU 23 3HD2 LEU 23 -10.676 2.059 4.557 195 H LEU 24 H LEU 24 -9.826 1.056 -1.814 196 HA LEU 24 HA LEU 24 -7.371 2.427 -2.389 197 1HB LEU 24 1HB LEU 24 -8.957 0.661 -4.245 198 2HB LEU 24 2HB LEU 24 -7.251 1.051 -4.347 199 HG LEU 24 HG LEU 24 -8.581 -0.662 -2.246 200 1HD1 LEU 24 1HD1 LEU 24 -6.607 -1.319 -4.426 201 2HD1 LEU 24 2HD1 LEU 24 -7.197 -2.441 -3.200 202 3HD1 LEU 24 3HD1 LEU 24 -8.312 -1.771 -4.392 203 1HD2 LEU 24 1HD2 LEU 24 -6.384 0.927 -1.854 204 2HD2 LEU 24 2HD2 LEU 24 -6.752 -0.550 -0.961 205 3HD2 LEU 24 3HD2 LEU 24 -5.664 -0.604 -2.348 206 H ILE 25 H ILE 25 -7.024 4.116 -3.725 207 HA ILE 25 HA ILE 25 -9.347 5.173 -5.201 208 HB ILE 25 HB ILE 25 -8.262 7.448 -4.848 209 1HG1 ILE 25 1HG1 ILE 25 -6.919 6.040 -2.538 210 2HG1 ILE 25 2HG1 ILE 25 -6.087 6.437 -4.037 211 1HG2 ILE 25 1HG2 ILE 25 -9.476 5.904 -2.569 212 2HG2 ILE 25 2HG2 ILE 25 -9.226 7.650 -2.537 213 3HG2 ILE 25 3HG2 ILE 25 -10.299 6.934 -3.739 214 1HD1 ILE 25 1HD1 ILE 25 -7.487 8.549 -2.452 215 2HD1 ILE 25 2HD1 ILE 25 -5.852 8.025 -2.044 216 3HD1 ILE 25 3HD1 ILE 25 -6.186 8.718 -3.631 217 H HIS 26 H HIS 26 -5.900 4.580 -5.163 218 HA HIS 26 HA HIS 26 -5.850 4.907 -8.058 219 1HB HIS 26 1HB HIS 26 -4.796 6.876 -6.309 220 2HB HIS 26 2HB HIS 26 -3.426 6.049 -7.044 221 HD1 HIS 26 HD1 HIS 26 -2.650 7.503 -8.883 222 HD2 HIS 26 HD2 HIS 26 -6.794 7.233 -8.770 223 HE1 HIS 26 HE1 HIS 26 -3.462 8.790 -10.886 224 HE2 HIS 26 HE2 HIS 26 -5.975 8.681 -10.751 225 H TYR 27 H TYR 27 -4.174 3.784 -9.096 226 HA TYR 27 HA TYR 27 -2.557 2.016 -7.393 227 1HB TYR 27 1HB TYR 27 -3.071 0.100 -8.692 228 2HB TYR 27 2HB TYR 27 -4.617 0.873 -8.358 229 HD1 TYR 27 HD1 TYR 27 -5.485 2.516 -10.208 230 HD2 TYR 27 HD2 TYR 27 -2.547 -0.501 -10.871 231 HE1 TYR 27 HE1 TYR 27 -5.980 2.574 -12.620 232 HE2 TYR 27 HE2 TYR 27 -3.033 -0.452 -13.285 233 HH TYR 27 HH TYR 27 -4.361 1.843 -14.849 234 H GLN 28 H GLN 28 -0.467 1.887 -7.968 235 HA GLN 28 HA GLN 28 0.293 2.989 -10.590 236 1HB GLN 28 1HB GLN 28 2.430 3.094 -8.644 237 2HB GLN 28 2HB GLN 28 1.752 4.383 -9.630 238 1HG GLN 28 1HG GLN 28 0.255 3.459 -7.230 239 2HG GLN 28 2HG GLN 28 1.669 4.491 -7.021 240 1HE2 GLN 28 2HE2 GLN 28 0.610 6.283 -6.321 241 2HE2 GLN 28 1HE2 GLN 28 -0.478 7.200 -7.302 242 H GLN 29 H GLN 29 2.652 2.300 -11.135 243 HA GLN 29 HA GLN 29 2.787 -0.616 -10.773 244 1HB GLN 29 1HB GLN 29 2.928 1.016 -13.085 245 2HB GLN 29 2HB GLN 29 4.526 0.319 -12.851 246 1HG GLN 29 1HG GLN 29 3.669 -1.378 -14.033 247 2HG GLN 29 2HG GLN 29 3.007 -1.865 -12.473 248 1HE2 GLN 29 2HE2 GLN 29 1.419 -2.979 -13.797 249 2HE2 GLN 29 1HE2 GLN 29 0.047 -2.109 -14.379 250 H ASN 30 H ASN 30 4.719 -1.608 -10.214 251 HA ASN 30 HA ASN 30 6.516 0.008 -8.660 252 1HB ASN 30 1HB ASN 30 5.870 -2.207 -7.864 253 2HB ASN 30 2HB ASN 30 6.568 -2.947 -9.302 254 1HD2 ASN 30 2HD2 ASN 30 7.374 -0.967 -6.493 255 2HD2 ASN 30 1HD2 ASN 30 8.990 -1.554 -6.323 256 H GLN 31 H GLN 31 8.886 -0.173 -8.880 257 HA GLN 31 HA GLN 31 9.644 0.019 -11.709 258 1HB GLN 31 1HB GLN 31 10.589 1.307 -9.203 259 2HB GLN 31 2HB GLN 31 11.791 1.010 -10.452 260 1HG GLN 31 1HG GLN 31 9.659 2.129 -11.818 261 2HG GLN 31 2HG GLN 31 9.730 3.030 -10.304 262 1HE2 GLN 31 2HE2 GLN 31 11.535 4.275 -9.844 263 2HE2 GLN 31 1HE2 GLN 31 12.702 4.695 -11.047 264 H ALA 32 H ALA 32 11.575 -0.954 -12.465 265 HA ALA 32 HA ALA 32 12.057 -3.548 -11.368 266 1HB ALA 32 1HB ALA 32 12.083 -3.173 -13.774 267 2HB ALA 32 2HB ALA 32 13.469 -2.096 -13.603 268 3HB ALA 32 3HB ALA 32 13.631 -3.811 -13.224 269 H SER 33 H SER 33 13.127 -0.619 -10.374 270 HA SER 33 HA SER 33 15.777 -1.628 -9.588 271 1HB SER 33 1HB SER 33 15.905 0.988 -8.938 272 2HB SER 33 2HB SER 33 16.335 0.370 -10.534 273 HG SER 33 HG SER 33 14.716 2.210 -10.265 274 H CYS 34 H CYS 34 12.671 -0.982 -8.441 275 HA CYS 34 HA CYS 34 13.639 -0.836 -5.663 276 1HB CYS 34 1HB CYS 34 10.857 -0.095 -6.547 277 2HB CYS 34 2HB CYS 34 11.686 0.346 -5.058 278 H GLY 35 H GLY 35 13.437 -2.652 -4.540 279 1HA GLY 35 1HA GLY 35 12.824 -4.828 -4.053 280 2HA GLY 35 2HA GLY 35 11.219 -4.116 -4.027 281 H LYS 36 H LYS 36 10.158 -5.902 -4.826 282 HA LYS 36 HA LYS 36 10.999 -7.023 -7.378 283 1HB LYS 36 1HB LYS 36 8.894 -7.782 -5.366 284 2HB LYS 36 2HB LYS 36 8.963 -8.526 -6.956 285 1HG LYS 36 1HG LYS 36 10.476 -9.954 -6.230 286 2HG LYS 36 2HG LYS 36 11.552 -8.617 -5.835 287 1HD LYS 36 1HD LYS 36 11.344 -9.589 -3.772 288 2HD LYS 36 2HD LYS 36 10.013 -8.430 -3.712 289 1HE LYS 36 1HE LYS 36 9.516 -11.176 -4.767 290 2HE LYS 36 2HE LYS 36 9.638 -10.930 -3.024 291 1HZ LYS 36 1HZ LYS 36 7.974 -8.945 -3.804 292 2HZ LYS 36 2HZ LYS 36 7.521 -10.211 -4.832 293 3HZ LYS 36 3HZ LYS 36 7.483 -10.429 -3.156 294 H ARG 37 H ARG 37 9.741 -7.010 -9.248 295 HA ARG 37 HA ARG 37 8.278 -4.647 -9.741 296 1HB ARG 37 1HB ARG 37 9.553 -6.306 -11.355 297 2HB ARG 37 2HB ARG 37 7.962 -7.040 -11.500 298 1HG ARG 37 1HG ARG 37 7.250 -4.529 -11.942 299 2HG ARG 37 2HG ARG 37 8.935 -4.407 -12.450 300 1HD ARG 37 1HD ARG 37 6.922 -6.399 -13.486 301 2HD ARG 37 2HD ARG 37 7.451 -4.943 -14.327 302 HE ARG 37 HE ARG 37 9.678 -6.550 -13.661 303 1HH1 ARG 37 1HH1 ARG 37 6.972 -6.406 -15.847 304 2HH1 ARG 37 2HH1 ARG 37 7.762 -7.315 -17.092 305 1HH2 ARG 37 1HH2 ARG 37 10.729 -7.749 -15.293 306 2HH2 ARG 37 2HH2 ARG 37 9.900 -8.079 -16.775 307 H ALA 38 H ALA 38 6.607 -4.582 -8.193 308 HA ALA 38 HA ALA 38 4.394 -6.459 -8.717 309 1HB ALA 38 1HB ALA 38 5.708 -6.006 -6.306 310 2HB ALA 38 2HB ALA 38 4.182 -5.135 -6.163 311 3HB ALA 38 3HB ALA 38 4.181 -6.857 -6.540 312 H ILE 39 H ILE 39 2.483 -5.068 -7.177 313 HA ILE 39 HA ILE 39 2.073 -2.694 -8.872 314 HB ILE 39 HB ILE 39 0.035 -4.471 -7.529 315 1HG1 ILE 39 1HG1 ILE 39 1.263 -5.183 -9.702 316 2HG1 ILE 39 2HG1 ILE 39 -0.493 -5.300 -9.647 317 1HG2 ILE 39 1HG2 ILE 39 -0.227 -1.846 -8.941 318 2HG2 ILE 39 2HG2 ILE 39 -1.551 -3.011 -8.950 319 3HG2 ILE 39 3HG2 ILE 39 -0.948 -2.372 -7.419 320 1HD1 ILE 39 1HD1 ILE 39 0.930 -2.918 -10.787 321 2HD1 ILE 39 2HD1 ILE 39 0.514 -4.337 -11.749 322 3HD1 ILE 39 3HD1 ILE 39 -0.759 -3.385 -10.985 323 H ILE 40 H ILE 40 1.268 -0.791 -7.959 324 HA ILE 40 HA ILE 40 1.706 -0.572 -5.061 325 HB ILE 40 HB ILE 40 1.683 1.602 -7.157 326 1HG1 ILE 40 1HG1 ILE 40 3.659 0.284 -7.431 327 2HG1 ILE 40 2HG1 ILE 40 4.133 1.735 -6.554 328 1HG2 ILE 40 1HG2 ILE 40 1.937 1.636 -4.183 329 2HG2 ILE 40 2HG2 ILE 40 2.776 2.850 -5.149 330 3HG2 ILE 40 3HG2 ILE 40 1.022 2.706 -5.245 331 1HD1 ILE 40 1HD1 ILE 40 3.769 0.261 -4.451 332 2HD1 ILE 40 2HD1 ILE 40 3.931 -1.075 -5.591 333 3HD1 ILE 40 3HD1 ILE 40 5.243 0.089 -5.405 334 H LEU 41 H LEU 41 0.011 -0.289 -3.773 335 HA LEU 41 HA LEU 41 -2.511 0.644 -4.975 336 1HB LEU 41 1HB LEU 41 -1.960 -1.258 -2.713 337 2HB LEU 41 2HB LEU 41 -3.532 -0.512 -2.928 338 HG LEU 41 HG LEU 41 -2.148 -2.485 -4.720 339 1HD1 LEU 41 1HD1 LEU 41 -4.252 -2.567 -2.779 340 2HD1 LEU 41 2HD1 LEU 41 -4.876 -3.027 -4.364 341 3HD1 LEU 41 3HD1 LEU 41 -3.502 -3.891 -3.672 342 1HD2 LEU 41 1HD2 LEU 41 -4.193 -0.441 -5.407 343 2HD2 LEU 41 2HD2 LEU 41 -2.895 -1.120 -6.391 344 3HD2 LEU 41 3HD2 LEU 41 -4.361 -2.056 -6.097 345 H GLU 42 H GLU 42 -3.039 2.644 -4.450 346 HA GLU 42 HA GLU 42 -2.174 3.703 -1.843 347 1HB GLU 42 1HB GLU 42 -1.188 4.944 -3.656 348 2HB GLU 42 2HB GLU 42 -2.749 5.121 -4.446 349 1HG GLU 42 1HG GLU 42 -3.111 6.198 -1.909 350 2HG GLU 42 2HG GLU 42 -1.516 6.750 -2.416 351 H THR 43 H THR 43 -3.690 4.232 -0.391 352 HA THR 43 HA THR 43 -6.491 4.216 -1.287 353 HB THR 43 HB THR 43 -7.123 3.596 0.915 354 HG1 THR 43 HG1 THR 43 -4.928 4.921 1.630 355 1HG2 THR 43 1HG2 THR 43 -4.616 2.157 0.120 356 2HG2 THR 43 2HG2 THR 43 -5.609 1.672 1.493 357 3HG2 THR 43 3HG2 THR 43 -6.289 1.665 -0.134 358 H ARG 44 H ARG 44 -7.983 5.683 -0.093 359 HA ARG 44 HA ARG 44 -7.302 8.346 -0.461 360 1HB ARG 44 1HB ARG 44 -9.314 8.691 1.204 361 2HB ARG 44 2HB ARG 44 -9.577 8.046 -0.412 362 1HG ARG 44 1HG ARG 44 -10.207 6.031 0.353 363 2HG ARG 44 2HG ARG 44 -9.024 6.040 1.663 364 1HD ARG 44 1HD ARG 44 -10.810 6.339 2.989 365 2HD ARG 44 2HD ARG 44 -10.719 8.016 2.451 366 HE ARG 44 HE ARG 44 -12.586 7.676 1.125 367 1HH1 ARG 44 1HH1 ARG 44 -11.509 4.669 2.515 368 2HH1 ARG 44 2HH1 ARG 44 -12.949 3.808 2.090 369 1HH2 ARG 44 1HH2 ARG 44 -14.488 6.549 0.560 370 2HH2 ARG 44 2HH2 ARG 44 -14.642 4.875 0.976 371 H GLN 45 H GLN 45 -6.453 6.277 2.101 372 HA GLN 45 HA GLN 45 -5.867 8.536 3.882 373 1HB GLN 45 1HB GLN 45 -5.808 5.571 4.482 374 2HB GLN 45 2HB GLN 45 -5.599 6.871 5.645 375 1HG GLN 45 1HG GLN 45 -7.867 7.570 5.377 376 2HG GLN 45 2HG GLN 45 -8.102 6.453 4.033 377 1HE2 GLN 45 2HE2 GLN 45 -9.938 5.800 5.405 378 2HE2 GLN 45 1HE2 GLN 45 -9.667 4.594 6.612 379 H HIS 46 H HIS 46 -4.312 8.068 1.528 380 HA HIS 46 HA HIS 46 -2.167 7.797 0.803 381 1HB HIS 46 1HB HIS 46 -1.478 8.580 3.640 382 2HB HIS 46 2HB HIS 46 -0.476 8.795 2.208 383 HD1 HIS 46 HD1 HIS 46 -3.051 9.874 0.521 384 HD2 HIS 46 HD2 HIS 46 -1.521 11.355 4.088 385 HE1 HIS 46 HE1 HIS 46 -3.818 12.267 0.639 386 HE2 HIS 46 HE2 HIS 46 -2.958 13.113 2.850 387 H ARG 47 H ARG 47 -3.171 5.377 1.278 388 HA ARG 47 HA ARG 47 -1.177 3.942 2.894 389 1HB ARG 47 1HB ARG 47 -3.616 3.561 3.360 390 2HB ARG 47 2HB ARG 47 -3.755 2.872 1.749 391 1HG ARG 47 1HG ARG 47 -1.697 1.430 2.728 392 2HG ARG 47 2HG ARG 47 -2.628 1.722 4.198 393 1HD ARG 47 1HD ARG 47 -3.978 0.773 1.699 394 2HD ARG 47 2HD ARG 47 -3.154 -0.368 2.760 395 HE ARG 47 HE ARG 47 -5.623 1.044 3.294 396 1HH1 ARG 47 1HH1 ARG 47 -2.968 -0.789 4.606 397 2HH1 ARG 47 2HH1 ARG 47 -3.835 -1.273 6.026 398 1HH2 ARG 47 1HH2 ARG 47 -6.773 0.412 5.159 399 2HH2 ARG 47 2HH2 ARG 47 -5.998 -0.591 6.340 400 H LEU 48 H LEU 48 0.552 3.669 1.570 401 HA LEU 48 HA LEU 48 0.080 2.512 -1.090 402 1HB LEU 48 1HB LEU 48 2.778 3.433 -0.239 403 2HB LEU 48 2HB LEU 48 2.033 3.469 -1.826 404 HG LEU 48 HG LEU 48 1.526 5.362 0.465 405 1HD1 LEU 48 1HD1 LEU 48 3.579 5.668 -0.936 406 2HD1 LEU 48 2HD1 LEU 48 2.518 5.912 -2.323 407 3HD1 LEU 48 3HD1 LEU 48 2.456 7.027 -0.958 408 1HD2 LEU 48 1HD2 LEU 48 0.033 4.926 -2.097 409 2HD2 LEU 48 2HD2 LEU 48 -0.598 5.125 -0.461 410 3HD2 LEU 48 3HD2 LEU 48 0.075 6.509 -1.321 411 H PHE 49 H PHE 49 0.203 0.373 -1.152 412 HA PHE 49 HA PHE 49 2.356 -0.949 0.356 413 1HB PHE 49 1HB PHE 49 -0.551 -1.709 0.204 414 2HB PHE 49 2HB PHE 49 0.686 -2.911 0.553 415 HD1 PHE 49 HD1 PHE 49 -0.354 0.492 1.683 416 HD2 PHE 49 HD2 PHE 49 1.161 -3.346 2.757 417 HE1 PHE 49 HE1 PHE 49 -0.408 1.143 4.058 418 HE2 PHE 49 HE2 PHE 49 1.111 -2.704 5.137 419 HZ PHE 49 HZ PHE 49 0.326 -0.456 5.790 420 H CYS 50 H CYS 50 3.328 -2.702 -0.631 421 HA CYS 50 HA CYS 50 2.993 -2.817 -3.511 422 1HB CYS 50 1HB CYS 50 5.060 -3.751 -1.568 423 2HB CYS 50 2HB CYS 50 4.977 -4.527 -3.146 424 H ALA 51 H ALA 51 1.335 -4.047 -4.169 425 HA ALA 51 HA ALA 51 0.997 -6.703 -2.942 426 1HB ALA 51 1HB ALA 51 -0.958 -4.878 -4.312 427 2HB ALA 51 2HB ALA 51 -1.300 -6.585 -4.025 428 3HB ALA 51 3HB ALA 51 -1.006 -5.504 -2.664 429 H ASP 52 H ASP 52 0.918 -8.527 -4.210 430 HA ASP 52 HA ASP 52 2.180 -8.318 -6.796 431 1HB ASP 52 1HB ASP 52 2.533 -10.132 -4.947 432 2HB ASP 52 2HB ASP 52 1.115 -10.886 -5.670 433 HA PRO 53 HA PRO 53 -1.467 -8.041 -9.287 434 1HB PRO 53 1HB PRO 53 0.175 -9.713 -11.134 435 2HB PRO 53 2HB PRO 53 -0.697 -8.209 -11.452 436 1HG PRO 53 1HG PRO 53 1.951 -8.210 -11.179 437 2HG PRO 53 2HG PRO 53 0.967 -6.892 -10.515 438 1HD PRO 53 1HD PRO 53 2.301 -9.160 -9.110 439 2HD PRO 53 2HD PRO 53 2.037 -7.489 -8.566 440 H LYS 54 H LYS 54 0.242 -11.176 -9.275 441 HA LYS 54 HA LYS 54 -1.640 -12.897 -10.140 442 1HB LYS 54 1HB LYS 54 0.584 -13.063 -8.283 443 2HB LYS 54 2HB LYS 54 -0.696 -14.190 -7.855 444 1HG LYS 54 1HG LYS 54 0.288 -14.031 -10.672 445 2HG LYS 54 2HG LYS 54 1.182 -14.948 -9.460 446 1HD LYS 54 1HD LYS 54 -0.177 -16.633 -10.075 447 2HD LYS 54 2HD LYS 54 -1.347 -15.832 -9.024 448 1HE LYS 54 1HE LYS 54 -2.498 -16.207 -11.035 449 2HE LYS 54 2HE LYS 54 -2.042 -14.504 -11.080 450 1HZ LYS 54 1HZ LYS 54 0.061 -15.791 -12.245 451 2HZ LYS 54 2HZ LYS 54 -1.286 -16.631 -12.832 452 3HZ LYS 54 3HZ LYS 54 -1.168 -14.959 -13.056 453 H GLU 55 H GLU 55 -1.618 -11.311 -6.995 454 HA GLU 55 HA GLU 55 -3.672 -12.733 -5.753 455 1HB GLU 55 1HB GLU 55 -3.086 -9.782 -5.448 456 2HB GLU 55 2HB GLU 55 -3.913 -10.814 -4.290 457 1HG GLU 55 1HG GLU 55 -1.799 -12.154 -4.124 458 2HG GLU 55 2HG GLU 55 -1.017 -10.898 -5.082 459 H GLN 56 H GLN 56 -5.810 -12.834 -6.055 460 HA GLN 56 HA GLN 56 -7.057 -11.700 -8.287 461 1HB GLN 56 1HB GLN 56 -7.768 -13.749 -6.937 462 2HB GLN 56 2HB GLN 56 -8.532 -12.621 -5.826 463 1HG GLN 56 1HG GLN 56 -9.222 -13.200 -8.682 464 2HG GLN 56 2HG GLN 56 -10.246 -13.307 -7.251 465 1HE2 GLN 56 2HE2 GLN 56 -8.882 -11.223 -9.656 466 2HE2 GLN 56 1HE2 GLN 56 -9.807 -9.815 -9.267 467 H TRP 57 H TRP 57 -7.343 -10.795 -4.844 468 HA TRP 57 HA TRP 57 -9.165 -8.748 -5.103 469 1HB TRP 57 1HB TRP 57 -8.529 -8.021 -2.984 470 2HB TRP 57 2HB TRP 57 -8.046 -9.714 -2.979 471 HD1 TRP 57 HD1 TRP 57 -5.357 -10.188 -3.300 472 HE1 TRP 57 HE1 TRP 57 -3.342 -8.773 -2.549 473 HE3 TRP 57 HE3 TRP 57 -7.725 -5.704 -2.626 474 HZ2 TRP 57 HZ2 TRP 57 -2.826 -6.102 -1.773 475 HZ3 TRP 57 HZ3 TRP 57 -6.401 -3.767 -1.875 476 HH2 TRP 57 HH2 TRP 57 -4.001 -3.964 -1.457 477 H VAL 58 H VAL 58 -5.945 -8.860 -6.267 478 HA VAL 58 HA VAL 58 -5.708 -5.971 -6.508 479 HB VAL 58 HB VAL 58 -3.883 -8.200 -7.422 480 1HG1 VAL 58 1HG1 VAL 58 -4.016 -5.643 -8.464 481 2HG1 VAL 58 2HG1 VAL 58 -2.721 -5.546 -7.271 482 3HG1 VAL 58 3HG1 VAL 58 -2.641 -6.743 -8.564 483 1HG2 VAL 58 1HG2 VAL 58 -3.829 -6.308 -5.085 484 2HG2 VAL 58 2HG2 VAL 58 -3.822 -8.071 -5.064 485 3HG2 VAL 58 3HG2 VAL 58 -2.402 -7.190 -5.630 486 H LYS 59 H LYS 59 -6.065 -8.809 -8.609 487 HA LYS 59 HA LYS 59 -6.064 -7.406 -11.056 488 1HB LYS 59 1HB LYS 59 -7.377 -10.038 -10.348 489 2HB LYS 59 2HB LYS 59 -7.128 -9.441 -11.982 490 1HG LYS 59 1HG LYS 59 -4.652 -9.382 -11.418 491 2HG LYS 59 2HG LYS 59 -5.073 -10.339 -9.995 492 1HD LYS 59 1HD LYS 59 -6.185 -11.970 -11.547 493 2HD LYS 59 2HD LYS 59 -5.480 -11.068 -12.888 494 1HE LYS 59 1HE LYS 59 -3.823 -12.188 -10.645 495 2HE LYS 59 2HE LYS 59 -4.206 -13.117 -12.093 496 1HZ LYS 59 1HZ LYS 59 -2.886 -10.462 -12.159 497 2HZ LYS 59 2HZ LYS 59 -2.036 -11.925 -12.151 498 3HZ LYS 59 3HZ LYS 59 -3.066 -11.551 -13.439 499 H ASP 60 H ASP 60 -8.671 -8.408 -8.877 500 HA ASP 60 HA ASP 60 -10.754 -7.330 -10.521 501 1HB ASP 60 1HB ASP 60 -10.566 -8.729 -7.956 502 2HB ASP 60 2HB ASP 60 -11.803 -7.475 -7.964 503 H ALA 61 H ALA 61 -9.013 -6.271 -7.626 504 HA ALA 61 HA ALA 61 -10.410 -3.995 -7.013 505 1HB ALA 61 1HB ALA 61 -7.550 -4.772 -6.729 506 2HB ALA 61 2HB ALA 61 -8.011 -3.105 -6.386 507 3HB ALA 61 3HB ALA 61 -8.755 -4.429 -5.487 508 H MET 62 H MET 62 -7.871 -4.414 -9.439 509 HA MET 62 HA MET 62 -7.814 -1.698 -10.261 510 1HB MET 62 1HB MET 62 -6.942 -4.213 -11.695 511 2HB MET 62 2HB MET 62 -6.608 -2.583 -12.260 512 1HG MET 62 1HG MET 62 -5.582 -2.347 -9.834 513 2HG MET 62 2HG MET 62 -5.423 -4.094 -10.004 514 1HE MET 62 1HE MET 62 -4.562 -5.223 -11.855 515 2HE MET 62 2HE MET 62 -4.161 -4.424 -13.375 516 3HE MET 62 3HE MET 62 -2.879 -4.889 -12.257 517 H GLN 63 H GLN 63 -9.315 -4.601 -11.683 518 HA GLN 63 HA GLN 63 -10.490 -3.541 -13.905 519 1HB GLN 63 1HB GLN 63 -10.666 -5.914 -13.245 520 2HB GLN 63 2HB GLN 63 -11.794 -5.470 -11.971 521 1HG GLN 63 1HG GLN 63 -12.900 -4.371 -14.255 522 2HG GLN 63 2HG GLN 63 -12.259 -5.925 -14.788 523 1HE2 GLN 63 2HE2 GLN 63 -15.031 -4.867 -14.319 524 2HE2 GLN 63 1HE2 GLN 63 -15.779 -6.050 -13.306 525 H HIS 64 H HIS 64 -11.330 -3.025 -10.574 526 HA HIS 64 HA HIS 64 -13.859 -1.791 -11.083 527 1HB HIS 64 1HB HIS 64 -13.484 -2.824 -8.933 528 2HB HIS 64 2HB HIS 64 -12.077 -1.805 -8.642 529 HD1 HIS 64 HD1 HIS 64 -15.836 -1.491 -9.033 530 HD2 HIS 64 HD2 HIS 64 -12.621 0.527 -7.344 531 HE1 HIS 64 HE1 HIS 64 -16.845 0.407 -7.726 532 HE2 HIS 64 HE2 HIS 64 -14.875 1.657 -6.771 533 H LEU 65 H LEU 65 -10.752 -0.491 -9.905 534 HA LEU 65 HA LEU 65 -11.339 2.189 -9.974 535 1HB LEU 65 1HB LEU 65 -8.812 0.657 -10.436 536 2HB LEU 65 2HB LEU 65 -8.818 2.396 -10.661 537 HG LEU 65 HG LEU 65 -9.254 0.838 -8.133 538 1HD1 LEU 65 1HD1 LEU 65 -7.391 3.032 -9.008 539 2HD1 LEU 65 2HD1 LEU 65 -7.570 2.524 -7.330 540 3HD1 LEU 65 3HD1 LEU 65 -6.984 1.381 -8.537 541 1HD2 LEU 65 1HD2 LEU 65 -10.146 3.627 -8.781 542 2HD2 LEU 65 2HD2 LEU 65 -11.041 2.334 -7.982 543 3HD2 LEU 65 3HD2 LEU 65 -9.727 3.151 -7.135 544 H ASP 66 H ASP 66 -10.375 0.117 -12.663 545 HA ASP 66 HA ASP 66 -9.916 2.007 -14.625 546 1HB ASP 66 1HB ASP 66 -11.046 -0.779 -14.741 547 2HB ASP 66 2HB ASP 66 -10.846 0.182 -16.203 548 H ARG 67 H ARG 67 -13.002 0.630 -13.563 549 HA ARG 67 HA ARG 67 -14.572 1.994 -15.506 550 1HB ARG 67 1HB ARG 67 -15.029 -0.040 -13.719 551 2HB ARG 67 2HB ARG 67 -15.927 1.291 -13.003 552 1HG ARG 67 1HG ARG 67 -17.587 0.788 -14.379 553 2HG ARG 67 2HG ARG 67 -16.580 1.384 -15.702 554 1HD ARG 67 1HD ARG 67 -15.827 -0.761 -16.251 555 2HD ARG 67 2HD ARG 67 -16.336 -1.433 -14.701 556 HE ARG 67 HE ARG 67 -17.942 -1.100 -17.055 557 1HH1 ARG 67 1HH1 ARG 67 -17.991 -1.330 -13.581 558 2HH1 ARG 67 2HH1 ARG 67 -19.627 -1.897 -13.511 559 1HH2 ARG 67 1HH2 ARG 67 -20.096 -1.845 -16.976 560 2HH2 ARG 67 2HH2 ARG 67 -20.823 -2.191 -15.442 561 H GLN 68 H GLN 68 -13.203 2.898 -12.478 562 HA GLN 68 HA GLN 68 -15.015 5.007 -11.852 563 1HB GLN 68 1HB GLN 68 -12.412 4.034 -10.836 564 2HB GLN 68 2HB GLN 68 -12.759 5.736 -10.556 565 1HG GLN 68 1HG GLN 68 -13.427 4.018 -8.766 566 2HG GLN 68 2HG GLN 68 -14.577 5.280 -9.205 567 1HE2 GLN 68 2HE2 GLN 68 -13.659 2.017 -10.260 568 2HE2 GLN 68 1HE2 GLN 68 -15.276 1.442 -10.461 569 H ALA 69 H ALA 69 -11.685 5.039 -13.132 570 HA ALA 69 HA ALA 69 -11.664 7.809 -13.693 571 1HB ALA 69 1HB ALA 69 -9.809 5.740 -13.738 572 2HB ALA 69 2HB ALA 69 -9.898 6.297 -15.410 573 3HB ALA 69 3HB ALA 69 -9.512 7.436 -14.120 574 H ALA 70 H ALA 70 -12.702 5.010 -15.510 575 HA ALA 70 HA ALA 70 -12.738 6.000 -18.094 576 1HB ALA 70 1HB ALA 70 -14.200 3.910 -16.626 577 2HB ALA 70 2HB ALA 70 -14.979 4.495 -18.096 578 3HB ALA 70 3HB ALA 70 -13.346 3.831 -18.167 579 H ALA 71 H ALA 71 -15.280 6.260 -15.618 580 HA ALA 71 HA ALA 71 -17.106 7.699 -17.181 581 1HB ALA 71 1HB ALA 71 -17.473 6.511 -14.937 582 2HB ALA 71 2HB ALA 71 -16.904 8.013 -14.208 583 3HB ALA 71 3HB ALA 71 -18.342 8.017 -15.229 584 H LEU 72 H LEU 72 -14.124 8.637 -15.958 585 HA LEU 72 HA LEU 72 -14.855 11.485 -16.021 586 1HB LEU 72 1HB LEU 72 -13.448 10.091 -14.116 587 2HB LEU 72 2HB LEU 72 -12.168 10.806 -15.076 588 HG LEU 72 HG LEU 72 -12.693 12.247 -13.207 589 1HD1 LEU 72 1HD1 LEU 72 -12.867 13.034 -15.951 590 2HD1 LEU 72 2HD1 LEU 72 -13.894 14.077 -14.969 591 3HD1 LEU 72 3HD1 LEU 72 -12.182 13.908 -14.581 592 1HD2 LEU 72 1HD2 LEU 72 -15.383 11.501 -13.836 593 2HD2 LEU 72 2HD2 LEU 72 -14.760 12.337 -12.412 594 3HD2 LEU 72 3HD2 LEU 72 -15.238 13.260 -13.836 595 H THR 73 H THR 73 -12.332 9.208 -17.064 596 HA THR 73 HA THR 73 -12.007 10.727 -19.521 597 HB THR 73 HB THR 73 -10.010 11.626 -19.077 598 HG1 THR 73 HG1 THR 73 -9.130 9.236 -17.848 599 1HG2 THR 73 1HG2 THR 73 -10.945 12.039 -16.859 600 2HG2 THR 73 2HG2 THR 73 -10.283 10.503 -16.299 601 3HG2 THR 73 3HG2 THR 73 -9.198 11.799 -16.804 602 H ARG 74 H ARG 74 -11.399 9.487 -21.237 603 HA ARG 74 HA ARG 74 -11.740 6.711 -21.097 604 1HB ARG 74 1HB ARG 74 -11.129 6.652 -23.405 605 2HB ARG 74 2HB ARG 74 -12.022 8.143 -23.140 606 1HG ARG 74 1HG ARG 74 -9.940 9.401 -23.081 607 2HG ARG 74 2HG ARG 74 -9.023 7.907 -23.299 608 1HD ARG 74 1HD ARG 74 -11.057 8.975 -25.251 609 2HD ARG 74 2HD ARG 74 -9.316 9.210 -25.391 610 HE ARG 74 HE ARG 74 -10.035 6.452 -25.158 611 1HH1 ARG 74 1HH1 ARG 74 -9.769 9.123 -27.376 612 2HH1 ARG 74 2HH1 ARG 74 -9.556 8.115 -28.768 613 1HH2 ARG 74 1HH2 ARG 74 -9.755 5.115 -26.984 614 2HH2 ARG 74 2HH2 ARG 74 -9.549 5.835 -28.546 615 H ASN 75 H ASN 75 -10.107 5.082 -21.834 616 HA ASN 75 HA ASN 75 -7.471 5.663 -20.649 617 1HB ASN 75 1HB ASN 75 -9.168 3.971 -19.518 618 2HB ASN 75 2HB ASN 75 -8.528 2.870 -20.735 619 1HD2 ASN 75 2HD2 ASN 75 -6.994 5.440 -18.843 620 2HD2 ASN 75 1HD2 ASN 75 -5.792 4.429 -18.123 621 H GLY 76 H GLY 76 -9.258 4.035 -23.195 622 1HA GLY 76 1HA GLY 76 -8.480 3.792 -25.405 623 2HA GLY 76 2HA GLY 76 -6.837 4.033 -24.829
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