NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
16380 | 2a02 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 -11.483 -7.596 -6.937 2 2H SER 1 2H SER 1 -10.414 -7.591 -8.243 3 3H SER 1 3H SER 1 -10.431 -6.291 -7.157 4 HA SER 1 HA SER 1 -9.664 -7.695 -5.384 5 1HB SER 1 1HB SER 1 -9.549 -9.848 -7.509 6 2HB SER 1 2HB SER 1 -9.028 -10.018 -5.832 7 HG SER 1 HG SER 1 -11.026 -10.717 -5.640 8 H GLN 2 H GLN 2 -8.680 -5.778 -7.308 9 HA GLN 2 HA GLN 2 -6.103 -6.746 -8.175 10 1HB GLN 2 1HB GLN 2 -7.355 -3.999 -8.223 11 2HB GLN 2 2HB GLN 2 -5.724 -4.325 -8.791 12 1HG GLN 2 1HG GLN 2 -6.855 -4.437 -10.759 13 2HG GLN 2 2HG GLN 2 -6.944 -6.124 -10.264 14 1HE2 GLN 2 1HE2 GLN 2 -8.667 -4.601 -12.032 15 2HE2 GLN 2 2HE2 GLN 2 -10.265 -4.715 -11.372 16 H GLU 3 H GLU 3 -5.863 -7.405 -5.809 17 HA GLU 3 HA GLU 3 -4.278 -5.335 -4.464 18 1HB GLU 3 1HB GLU 3 -6.182 -7.275 -3.126 19 2HB GLU 3 2HB GLU 3 -5.069 -6.209 -2.280 20 1HG GLU 3 1HG GLU 3 -6.224 -4.265 -3.234 21 2HG GLU 3 2HG GLU 3 -7.358 -5.347 -4.038 22 H TRP 4 H TRP 4 -2.828 -6.476 -2.754 23 HA TRP 4 HA TRP 4 -1.837 -8.974 -3.933 24 1HB TRP 4 1HB TRP 4 -0.182 -6.486 -3.451 25 2HB TRP 4 2HB TRP 4 0.493 -8.067 -3.832 26 HD1 TRP 4 HD1 TRP 4 0.190 -8.960 -6.350 27 HE1 TRP 4 HE1 TRP 4 -0.317 -7.727 -8.556 28 HE3 TRP 4 HE3 TRP 4 -1.472 -4.516 -4.434 29 HZ2 TRP 4 HZ2 TRP 4 -1.289 -5.210 -9.367 30 HZ3 TRP 4 HZ3 TRP 4 -2.174 -2.751 -5.999 31 HH2 TRP 4 HH2 TRP 4 -2.084 -3.091 -8.409 32 H THR 5 H THR 5 -0.303 -10.093 -2.549 33 HA THR 5 HA THR 5 -0.796 -9.534 0.277 34 HB THR 5 HB THR 5 -1.260 -11.827 -0.294 35 HG1 THR 5 HG1 THR 5 -0.398 -12.186 1.595 36 1HG2 THR 5 1HG2 THR 5 1.553 -11.996 -1.379 37 2HG2 THR 5 2HG2 THR 5 0.068 -12.018 -2.334 38 3HG2 THR 5 3HG2 THR 5 0.423 -13.342 -1.223 39 H LEU 6 H LEU 6 0.566 -8.046 0.966 40 HA LEU 6 HA LEU 6 3.149 -7.751 -0.308 41 1HB LEU 6 1HB LEU 6 1.834 -6.067 1.818 42 2HB LEU 6 2HB LEU 6 3.290 -5.651 0.933 43 HG LEU 6 HG LEU 6 0.518 -5.927 -0.228 44 1HD1 LEU 6 1HD1 LEU 6 0.838 -3.905 1.087 45 2HD1 LEU 6 2HD1 LEU 6 0.732 -3.529 -0.632 46 3HD1 LEU 6 3HD1 LEU 6 2.300 -3.531 0.174 47 1HD2 LEU 6 1HD2 LEU 6 3.117 -5.193 -1.572 48 2HD2 LEU 6 2HD2 LEU 6 1.520 -5.159 -2.318 49 3HD2 LEU 6 3HD2 LEU 6 2.221 -6.693 -1.806 50 H ASP 7 H ASP 7 5.092 -7.655 0.733 51 HA ASP 7 HA ASP 7 5.214 -8.497 3.547 52 1HB ASP 7 1HB ASP 7 5.915 -10.383 2.125 53 2HB ASP 7 2HB ASP 7 7.069 -9.340 1.300 54 H ILE 8 H ILE 8 5.657 -6.551 4.439 55 HA ILE 8 HA ILE 8 7.701 -4.866 3.153 56 HB ILE 8 HB ILE 8 5.251 -4.015 4.708 57 1HG1 ILE 8 1HG1 ILE 8 4.727 -4.737 2.439 58 2HG1 ILE 8 2HG1 ILE 8 4.559 -2.991 2.570 59 1HG2 ILE 8 1HG2 ILE 8 7.112 -2.533 5.182 60 2HG2 ILE 8 2HG2 ILE 8 5.916 -1.720 4.170 61 3HG2 ILE 8 3HG2 ILE 8 7.410 -2.331 3.458 62 1HD1 ILE 8 1HD1 ILE 8 6.743 -2.709 1.502 63 2HD1 ILE 8 2HD1 ILE 8 5.614 -3.602 0.482 64 3HD1 ILE 8 3HD1 ILE 8 6.884 -4.462 1.353 65 HA PRO 9 HA PRO 9 9.921 -5.372 7.023 66 1HB PRO 9 1HB PRO 9 11.527 -3.145 5.921 67 2HB PRO 9 2HB PRO 9 12.039 -4.757 6.431 68 1HG PRO 9 1HG PRO 9 11.943 -4.093 3.846 69 2HG PRO 9 2HG PRO 9 11.494 -5.719 4.397 70 1HD PRO 9 1HD PRO 9 9.734 -3.420 3.634 71 2HD PRO 9 2HD PRO 9 9.565 -5.143 3.241 72 H ALA 10 H ALA 10 10.244 -4.184 8.891 73 HA ALA 10 HA ALA 10 8.710 -1.669 9.069 74 1HB ALA 10 1HB ALA 10 9.273 -3.711 11.219 75 2HB ALA 10 2HB ALA 10 7.743 -3.504 10.366 76 3HB ALA 10 3HB ALA 10 8.341 -2.227 11.424 77 H GLN 11 H GLN 11 11.549 -2.232 8.388 78 HA GLN 11 HA GLN 11 12.973 -0.935 10.580 79 1HB GLN 11 1HB GLN 11 14.999 -1.554 9.253 80 2HB GLN 11 2HB GLN 11 14.018 -2.939 9.717 81 1HG GLN 11 1HG GLN 11 12.963 -2.786 7.422 82 2HG GLN 11 2HG GLN 11 14.247 -1.650 7.016 83 1HE2 GLN 11 1HE2 GLN 11 15.118 -2.971 5.466 84 2HE2 GLN 11 2HE2 GLN 11 15.959 -4.439 5.830 85 H SER 12 H SER 12 14.987 0.103 8.648 86 HA SER 12 HA SER 12 14.103 2.697 8.337 87 1HB SER 12 1HB SER 12 16.142 1.269 6.617 88 2HB SER 12 2HB SER 12 16.023 3.010 6.875 89 HG SER 12 HG SER 12 17.044 2.796 8.700 90 H MET 13 H MET 13 12.930 3.766 6.962 91 HA MET 13 HA MET 13 10.993 2.685 5.368 92 1HB MET 13 1HB MET 13 11.025 4.990 6.234 93 2HB MET 13 2HB MET 13 12.274 5.406 5.072 94 1HG MET 13 1HG MET 13 10.288 6.217 4.157 95 2HG MET 13 2HG MET 13 10.623 4.731 3.272 96 1HE MET 13 1HE MET 13 7.401 5.202 6.534 97 2HE MET 13 2HE MET 13 8.385 6.520 5.904 98 3HE MET 13 3HE MET 13 9.127 5.266 6.896 99 H ASN 14 H ASN 14 14.246 3.596 4.412 100 HA ASN 14 HA ASN 14 13.943 3.632 1.640 101 1HB ASN 14 1HB ASN 14 16.325 3.286 1.482 102 2HB ASN 14 2HB ASN 14 15.998 4.382 2.816 103 1HD2 ASN 14 1HD2 ASN 14 18.350 2.790 2.320 104 2HD2 ASN 14 2HD2 ASN 14 18.521 1.723 3.677 105 H SER 15 H SER 15 14.235 0.957 3.851 106 HA SER 15 HA SER 15 14.764 -1.006 1.821 107 1HB SER 15 1HB SER 15 13.788 -1.515 4.644 108 2HB SER 15 2HB SER 15 14.703 -2.603 3.594 109 HG SER 15 HG SER 15 15.846 -0.123 4.172 110 H ALA 16 H ALA 16 11.977 -0.013 3.770 111 HA ALA 16 HA ALA 16 10.207 -2.022 2.953 112 1HB ALA 16 1HB ALA 16 9.826 -0.541 4.879 113 2HB ALA 16 2HB ALA 16 8.441 -0.605 3.789 114 3HB ALA 16 3HB ALA 16 9.516 0.791 3.768 115 H LEU 17 H LEU 17 10.735 1.232 1.638 116 HA LEU 17 HA LEU 17 8.705 1.074 -0.320 117 1HB LEU 17 1HB LEU 17 11.202 2.771 -0.271 118 2HB LEU 17 2HB LEU 17 9.845 3.002 -1.356 119 HG LEU 17 HG LEU 17 9.786 3.295 1.646 120 1HD1 LEU 17 1HD1 LEU 17 9.540 5.334 -0.556 121 2HD1 LEU 17 2HD1 LEU 17 10.931 5.119 0.506 122 3HD1 LEU 17 3HD1 LEU 17 9.388 5.655 1.172 123 1HD2 LEU 17 1HD2 LEU 17 7.491 4.089 1.328 124 2HD2 LEU 17 2HD2 LEU 17 7.674 2.410 0.820 125 3HD2 LEU 17 3HD2 LEU 17 7.596 3.694 -0.388 126 H GLN 18 H GLN 18 12.191 0.422 -0.462 127 HA GLN 18 HA GLN 18 12.278 -0.188 -3.213 128 1HB GLN 18 1HB GLN 18 14.266 0.313 -1.806 129 2HB GLN 18 2HB GLN 18 14.072 -1.247 -1.021 130 1HG GLN 18 1HG GLN 18 14.456 -2.380 -3.131 131 2HG GLN 18 2HG GLN 18 14.597 -0.828 -3.953 132 1HE2 GLN 18 1HE2 GLN 18 16.423 0.432 -3.624 133 2HE2 GLN 18 2HE2 GLN 18 17.877 -0.205 -2.929 134 H ALA 19 H ALA 19 11.663 -2.179 -0.372 135 HA ALA 19 HA ALA 19 11.606 -4.676 -1.692 136 1HB ALA 19 1HB ALA 19 10.430 -5.501 0.275 137 2HB ALA 19 2HB ALA 19 10.131 -3.846 0.807 138 3HB ALA 19 3HB ALA 19 11.780 -4.471 0.748 139 H LEU 20 H LEU 20 9.159 -2.209 -1.118 140 HA LEU 20 HA LEU 20 6.932 -3.743 -1.988 141 1HB LEU 20 1HB LEU 20 6.709 -1.739 -0.581 142 2HB LEU 20 2HB LEU 20 7.322 -0.747 -1.890 143 HG LEU 20 HG LEU 20 5.343 -1.357 -3.250 144 1HD1 LEU 20 1HD1 LEU 20 4.834 -3.513 -2.247 145 2HD1 LEU 20 2HD1 LEU 20 3.438 -2.441 -2.149 146 3HD1 LEU 20 3HD1 LEU 20 4.435 -2.724 -0.722 147 1HD2 LEU 20 1HD2 LEU 20 3.729 -0.026 -1.976 148 2HD2 LEU 20 2HD2 LEU 20 5.340 0.691 -1.945 149 3HD2 LEU 20 3HD2 LEU 20 4.739 -0.188 -0.539 150 H ALA 21 H ALA 21 9.344 -1.793 -3.521 151 HA ALA 21 HA ALA 21 8.032 -1.185 -5.946 152 1HB ALA 21 1HB ALA 21 10.260 -0.659 -6.798 153 2HB ALA 21 2HB ALA 21 10.992 -1.466 -5.411 154 3HB ALA 21 3HB ALA 21 10.037 -0.001 -5.178 155 H LYS 22 H LYS 22 10.489 -3.633 -5.212 156 HA LYS 22 HA LYS 22 10.392 -4.930 -7.703 157 1HB LYS 22 1HB LYS 22 11.228 -5.988 -4.998 158 2HB LYS 22 2HB LYS 22 11.551 -6.786 -6.529 159 1HG LYS 22 1HG LYS 22 12.990 -5.018 -7.228 160 2HG LYS 22 2HG LYS 22 12.534 -4.029 -5.840 161 1HD LYS 22 1HD LYS 22 14.732 -5.097 -5.539 162 2HD LYS 22 2HD LYS 22 13.563 -5.623 -4.328 163 1HE LYS 22 1HE LYS 22 13.151 -7.663 -5.665 164 2HE LYS 22 2HE LYS 22 14.399 -7.143 -6.797 165 1HZ LYS 22 1HZ LYS 22 14.828 -7.696 -3.909 166 2HZ LYS 22 2HZ LYS 22 16.024 -7.258 -5.030 167 3HZ LYS 22 3HZ LYS 22 15.231 -8.751 -5.176 168 H GLN 23 H GLN 23 8.521 -5.351 -4.769 169 HA GLN 23 HA GLN 23 7.573 -7.952 -5.548 170 1HB GLN 23 1HB GLN 23 6.959 -6.161 -3.210 171 2HB GLN 23 2HB GLN 23 6.157 -7.708 -3.456 172 1HG GLN 23 1HG GLN 23 8.211 -8.892 -3.276 173 2HG GLN 23 2HG GLN 23 9.143 -7.399 -3.316 174 1HE2 GLN 23 1HE2 GLN 23 6.192 -7.800 -1.460 175 2HE2 GLN 23 2HE2 GLN 23 6.961 -7.714 0.092 176 H THR 24 H THR 24 6.459 -4.722 -6.090 177 HA THR 24 HA THR 24 3.897 -5.863 -7.001 178 HB THR 24 HB THR 24 2.895 -3.606 -6.694 179 HG1 THR 24 HG1 THR 24 5.283 -3.038 -5.227 180 1HG2 THR 24 1HG2 THR 24 2.697 -3.759 -4.259 181 2HG2 THR 24 2HG2 THR 24 4.087 -4.842 -4.211 182 3HG2 THR 24 3HG2 THR 24 2.599 -5.351 -5.010 183 H ASP 25 H ASP 25 6.692 -5.041 -8.218 184 HA ASP 25 HA ASP 25 7.471 -4.425 -10.258 185 1HB ASP 25 1HB ASP 25 4.572 -4.758 -11.073 186 2HB ASP 25 2HB ASP 25 5.917 -4.575 -12.193 187 H THR 26 H THR 26 7.181 -2.331 -8.582 188 HA THR 26 HA THR 26 6.175 -0.204 -10.348 189 HB THR 26 HB THR 26 5.638 1.060 -8.193 190 HG1 THR 26 HG1 THR 26 5.201 -1.348 -6.887 191 1HG2 THR 26 1HG2 THR 26 3.438 -0.002 -7.962 192 2HG2 THR 26 2HG2 THR 26 4.023 -1.405 -8.855 193 3HG2 THR 26 3HG2 THR 26 3.896 0.163 -9.656 194 H GLN 27 H GLN 27 7.246 1.807 -10.191 195 HA GLN 27 HA GLN 27 9.967 1.654 -9.096 196 1HB GLN 27 1HB GLN 27 8.709 3.337 -11.256 197 2HB GLN 27 2HB GLN 27 10.246 3.778 -10.528 198 1HG GLN 27 1HG GLN 27 9.696 1.158 -11.906 199 2HG GLN 27 2HG GLN 27 10.470 2.553 -12.660 200 1HE2 GLN 27 1HE2 GLN 27 12.524 3.194 -11.950 201 2HE2 GLN 27 2HE2 GLN 27 13.570 2.100 -11.102 202 H LEU 28 H LEU 28 10.371 2.734 -7.270 203 HA LEU 28 HA LEU 28 8.452 4.810 -6.463 204 1HB LEU 28 1HB LEU 28 9.898 2.741 -4.832 205 2HB LEU 28 2HB LEU 28 9.320 4.223 -4.095 206 HG LEU 28 HG LEU 28 7.010 3.621 -4.899 207 1HD1 LEU 28 1HD1 LEU 28 7.603 2.071 -6.666 208 2HD1 LEU 28 2HD1 LEU 28 6.578 1.281 -5.467 209 3HD1 LEU 28 3HD1 LEU 28 8.314 0.969 -5.486 210 1HD2 LEU 28 1HD2 LEU 28 6.633 1.973 -3.130 211 2HD2 LEU 28 2HD2 LEU 28 7.693 3.278 -2.599 212 3HD2 LEU 28 3HD2 LEU 28 8.372 1.705 -3.016 213 H LEU 29 H LEU 29 9.221 6.775 -6.205 214 HA LEU 29 HA LEU 29 12.139 7.126 -6.201 215 1HB LEU 29 1HB LEU 29 9.902 8.907 -7.151 216 2HB LEU 29 2HB LEU 29 11.533 9.496 -6.917 217 HG LEU 29 HG LEU 29 11.295 9.058 -9.230 218 1HD1 LEU 29 1HD1 LEU 29 12.759 6.730 -8.004 219 2HD1 LEU 29 2HD1 LEU 29 13.418 8.341 -8.287 220 3HD1 LEU 29 3HD1 LEU 29 12.951 7.328 -9.652 221 1HD2 LEU 29 1HD2 LEU 29 10.237 6.337 -8.481 222 2HD2 LEU 29 2HD2 LEU 29 10.598 6.872 -10.123 223 3HD2 LEU 29 3HD2 LEU 29 9.321 7.665 -9.197 224 H TYR 30 H TYR 30 13.046 7.768 -4.422 225 HA TYR 30 HA TYR 30 11.807 9.640 -2.622 226 1HB TYR 30 1HB TYR 30 11.981 8.140 -0.642 227 2HB TYR 30 2HB TYR 30 10.777 7.593 -1.803 228 HD1 TYR 30 HD1 TYR 30 11.248 5.613 -3.229 229 HD2 TYR 30 HD2 TYR 30 13.900 6.804 -0.122 230 HE1 TYR 30 HE1 TYR 30 12.308 3.398 -3.291 231 HE2 TYR 30 HE2 TYR 30 14.971 4.592 -0.183 232 HH TYR 30 HH TYR 30 14.364 2.262 -0.886 233 H SER 31 H SER 31 13.317 10.371 -0.986 234 HA SER 31 HA SER 31 16.089 9.929 -1.815 235 1HB SER 31 1HB SER 31 15.300 12.263 -1.849 236 2HB SER 31 2HB SER 31 14.900 12.152 -0.135 237 HG SER 31 HG SER 31 17.136 12.957 -1.058 238 HA PRO 32 HA PRO 32 16.393 7.332 1.829 239 1HB PRO 32 1HB PRO 32 19.088 6.873 1.541 240 2HB PRO 32 2HB PRO 32 17.832 5.973 0.686 241 1HG PRO 32 1HG PRO 32 19.505 8.263 -0.260 242 2HG PRO 32 2HG PRO 32 19.029 6.790 -1.124 243 1HD PRO 32 1HD PRO 32 17.803 9.143 -1.555 244 2HD PRO 32 2HD PRO 32 16.915 7.605 -1.604 245 H GLU 33 H GLU 33 18.441 10.082 1.096 246 HA GLU 33 HA GLU 33 19.551 10.279 3.736 247 1HB GLU 33 1HB GLU 33 20.522 12.371 2.938 248 2HB GLU 33 2HB GLU 33 20.767 11.087 1.763 249 1HG GLU 33 1HG GLU 33 18.704 11.979 0.584 250 2HG GLU 33 2HG GLU 33 18.850 13.386 1.633 251 H ASP 34 H ASP 34 16.760 11.529 2.077 252 HA ASP 34 HA ASP 34 16.382 13.735 3.911 253 1HB ASP 34 1HB ASP 34 15.908 13.926 1.470 254 2HB ASP 34 2HB ASP 34 14.585 12.782 1.673 255 H ILE 35 H ILE 35 15.605 10.488 3.977 256 HA ILE 35 HA ILE 35 13.083 10.903 5.397 257 HB ILE 35 HB ILE 35 12.909 8.417 5.379 258 1HG1 ILE 35 1HG1 ILE 35 15.398 8.604 3.666 259 2HG1 ILE 35 2HG1 ILE 35 15.310 7.906 5.280 260 1HG2 ILE 35 1HG2 ILE 35 12.413 8.231 2.990 261 2HG2 ILE 35 2HG2 ILE 35 13.309 9.720 2.691 262 3HG2 ILE 35 3HG2 ILE 35 11.837 9.756 3.660 263 1HD1 ILE 35 1HD1 ILE 35 13.804 6.871 2.892 264 2HD1 ILE 35 2HD1 ILE 35 13.914 6.128 4.488 265 3HD1 ILE 35 3HD1 ILE 35 15.345 6.234 3.465 266 H GLY 36 H GLY 36 16.286 10.828 6.141 267 1HA GLY 36 1HA GLY 36 17.399 10.813 8.137 268 2HA GLY 36 2HA GLY 36 15.831 11.056 8.881 269 H GLY 37 H GLY 37 16.204 8.171 7.046 270 1HA GLY 37 1HA GLY 37 16.340 5.963 7.657 271 2HA GLY 37 2HA GLY 37 17.253 6.489 9.066 272 H LEU 38 H LEU 38 13.946 7.346 8.161 273 HA LEU 38 HA LEU 38 12.964 6.725 10.785 274 1HB LEU 38 1HB LEU 38 11.645 7.579 8.216 275 2HB LEU 38 2HB LEU 38 10.709 7.161 9.637 276 HG LEU 38 HG LEU 38 12.771 9.366 9.544 277 1HD1 LEU 38 1HD1 LEU 38 10.831 9.848 8.115 278 2HD1 LEU 38 2HD1 LEU 38 10.887 10.895 9.533 279 3HD1 LEU 38 3HD1 LEU 38 9.761 9.540 9.484 280 1HD2 LEU 38 1HD2 LEU 38 10.719 8.611 11.620 281 2HD2 LEU 38 2HD2 LEU 38 11.782 10.016 11.683 282 3HD2 LEU 38 3HD2 LEU 38 12.464 8.391 11.758 283 H ARG 39 H ARG 39 11.658 5.025 11.408 284 HA ARG 39 HA ARG 39 11.821 2.630 9.820 285 1HB ARG 39 1HB ARG 39 10.492 1.616 11.696 286 2HB ARG 39 2HB ARG 39 12.029 2.314 12.175 287 1HG ARG 39 1HG ARG 39 10.930 4.248 13.076 288 2HG ARG 39 2HG ARG 39 9.374 3.698 12.453 289 1HD ARG 39 1HD ARG 39 11.016 2.129 14.429 290 2HD ARG 39 2HD ARG 39 9.774 3.284 14.907 291 HE ARG 39 HE ARG 39 8.400 1.715 13.251 292 1HH1 ARG 39 1HH1 ARG 39 10.630 0.845 15.816 293 2HH1 ARG 39 2HH1 ARG 39 9.771 -0.606 16.233 294 1HH2 ARG 39 1HH2 ARG 39 7.286 -0.170 13.785 295 2HH2 ARG 39 2HH2 ARG 39 7.853 -1.185 15.089 296 H SER 40 H SER 40 10.281 1.706 8.640 297 HA SER 40 HA SER 40 8.003 3.320 7.943 298 1HB SER 40 1HB SER 40 7.647 1.343 6.317 299 2HB SER 40 2HB SER 40 9.090 2.336 6.104 300 HG SER 40 HG SER 40 8.861 -0.307 6.881 301 H SER 41 H SER 41 5.832 2.571 7.887 302 HA SER 41 HA SER 41 5.135 0.861 10.122 303 1HB SER 41 1HB SER 41 3.938 3.030 9.634 304 2HB SER 41 2HB SER 41 3.305 2.285 8.168 305 HG SER 41 HG SER 41 1.748 1.806 9.531 306 H ALA 42 H ALA 42 5.549 -1.214 9.602 307 HA ALA 42 HA ALA 42 5.513 -2.322 7.043 308 1HB ALA 42 1HB ALA 42 6.762 -3.264 8.924 309 2HB ALA 42 2HB ALA 42 5.726 -4.468 8.155 310 3HB ALA 42 3HB ALA 42 5.243 -3.739 9.686 311 H LEU 43 H LEU 43 3.813 -2.574 5.778 312 HA LEU 43 HA LEU 43 1.334 -3.604 6.977 313 1HB LEU 43 1HB LEU 43 1.141 -1.396 5.847 314 2HB LEU 43 2HB LEU 43 1.670 -2.144 4.353 315 HG LEU 43 HG LEU 43 -0.335 -3.594 4.391 316 1HD1 LEU 43 1HD1 LEU 43 -1.107 -1.926 6.780 317 2HD1 LEU 43 2HD1 LEU 43 -0.727 -3.649 6.783 318 3HD1 LEU 43 3HD1 LEU 43 -2.159 -3.063 5.938 319 1HD2 LEU 43 1HD2 LEU 43 -1.940 -1.866 3.796 320 2HD2 LEU 43 2HD2 LEU 43 -0.344 -1.492 3.143 321 3HD2 LEU 43 3HD2 LEU 43 -0.932 -0.644 4.575 322 H LYS 44 H LYS 44 2.196 -5.725 6.932 323 HA LYS 44 HA LYS 44 2.489 -6.858 4.253 324 1HB LYS 44 1HB LYS 44 3.325 -8.905 5.523 325 2HB LYS 44 2HB LYS 44 4.360 -7.488 5.526 326 1HG LYS 44 1HG LYS 44 3.570 -6.931 7.782 327 2HG LYS 44 2HG LYS 44 2.562 -8.380 7.770 328 1HD LYS 44 1HD LYS 44 4.529 -9.783 7.532 329 2HD LYS 44 2HD LYS 44 5.562 -8.356 7.450 330 1HE LYS 44 1HE LYS 44 4.928 -7.752 9.722 331 2HE LYS 44 2HE LYS 44 3.857 -9.151 9.806 332 1HZ LYS 44 1HZ LYS 44 5.967 -9.584 10.895 333 2HZ LYS 44 2HZ LYS 44 6.809 -9.250 9.459 334 3HZ LYS 44 3HZ LYS 44 5.778 -10.592 9.544 335 H GLY 45 H GLY 45 0.641 -7.408 3.443 336 1HA GLY 45 1HA GLY 45 -1.046 -9.392 4.409 337 2HA GLY 45 2HA GLY 45 -1.710 -7.845 4.932 338 H ARG 46 H ARG 46 -3.534 -8.420 3.513 339 HA ARG 46 HA ARG 46 -2.904 -8.192 0.662 340 1HB ARG 46 1HB ARG 46 -4.254 -10.111 1.137 341 2HB ARG 46 2HB ARG 46 -5.383 -9.152 2.084 342 1HG ARG 46 1HG ARG 46 -6.305 -8.141 0.188 343 2HG ARG 46 2HG ARG 46 -4.942 -8.609 -0.831 344 1HD ARG 46 1HD ARG 46 -6.825 -10.589 0.437 345 2HD ARG 46 2HD ARG 46 -7.057 -9.925 -1.181 346 HE ARG 46 HE ARG 46 -4.942 -10.954 -1.814 347 1HH1 ARG 46 1HH1 ARG 46 -6.426 -12.057 1.171 348 2HH1 ARG 46 2HH1 ARG 46 -5.593 -13.581 1.164 349 1HH2 ARG 46 1HH2 ARG 46 -3.852 -12.963 -1.821 350 2HH2 ARG 46 2HH2 ARG 46 -4.147 -14.103 -0.542 351 H HIS 47 H HIS 47 -2.903 -6.218 -0.082 352 HA HIS 47 HA HIS 47 -5.237 -4.554 0.229 353 1HB HIS 47 1HB HIS 47 -2.678 -3.906 1.577 354 2HB HIS 47 2HB HIS 47 -3.461 -2.588 0.715 355 HD1 HIS 47 HD1 HIS 47 -6.187 -2.419 1.409 356 HD2 HIS 47 HD2 HIS 47 -3.523 -4.090 4.134 357 HE1 HIS 47 HE1 HIS 47 -7.307 -2.237 3.655 358 HE2 HIS 47 HE2 HIS 47 -5.597 -3.072 5.309 359 H ASP 48 H ASP 48 -5.182 -2.686 -1.176 360 HA ASP 48 HA ASP 48 -3.922 -3.251 -3.701 361 1HB ASP 48 1HB ASP 48 -5.965 -2.370 -4.165 362 2HB ASP 48 2HB ASP 48 -6.021 -1.441 -2.673 363 H LEU 49 H LEU 49 -2.673 -1.578 -4.896 364 HA LEU 49 HA LEU 49 -0.330 -1.035 -3.474 365 1HB LEU 49 1HB LEU 49 -0.805 -1.296 -6.023 366 2HB LEU 49 2HB LEU 49 -1.067 0.434 -5.982 367 HG LEU 49 HG LEU 49 1.221 -0.265 -6.722 368 1HD1 LEU 49 1HD1 LEU 49 0.825 1.969 -5.862 369 2HD1 LEU 49 2HD1 LEU 49 2.427 1.379 -5.417 370 3HD1 LEU 49 3HD1 LEU 49 1.130 1.392 -4.222 371 1HD2 LEU 49 1HD2 LEU 49 2.810 -0.994 -5.001 372 2HD2 LEU 49 2HD2 LEU 49 1.524 -2.172 -5.265 373 3HD2 LEU 49 3HD2 LEU 49 1.481 -1.122 -3.849 374 H GLN 50 H GLN 50 -2.705 1.314 -4.766 375 HA GLN 50 HA GLN 50 -1.532 3.604 -3.650 376 1HB GLN 50 1HB GLN 50 -3.183 3.754 -5.431 377 2HB GLN 50 2HB GLN 50 -4.419 3.072 -4.385 378 1HG GLN 50 1HG GLN 50 -4.292 5.031 -2.941 379 2HG GLN 50 2HG GLN 50 -3.035 5.712 -3.970 380 1HE2 GLN 50 1HE2 GLN 50 -4.304 4.777 -6.424 381 2HE2 GLN 50 2HE2 GLN 50 -5.656 5.822 -6.687 382 H SER 51 H SER 51 -4.033 1.451 -2.418 383 HA SER 51 HA SER 51 -4.646 2.894 -0.088 384 1HB SER 51 1HB SER 51 -4.756 -0.104 -0.437 385 2HB SER 51 2HB SER 51 -5.699 0.874 0.692 386 HG SER 51 HG SER 51 -5.841 0.902 -2.152 387 H SER 52 H SER 52 -2.308 0.281 -0.657 388 HA SER 52 HA SER 52 -1.379 0.060 1.987 389 1HB SER 52 1HB SER 52 0.127 -0.484 -0.585 390 2HB SER 52 2HB SER 52 0.544 -1.106 1.013 391 HG SER 52 HG SER 52 -1.603 -1.786 -0.671 392 H LEU 53 H LEU 53 -0.267 2.035 -0.738 393 HA LEU 53 HA LEU 53 1.969 3.201 0.458 394 1HB LEU 53 1HB LEU 53 0.023 4.394 -1.520 395 2HB LEU 53 2HB LEU 53 1.566 5.108 -1.099 396 HG LEU 53 HG LEU 53 1.215 2.413 -2.410 397 1HD1 LEU 53 1HD1 LEU 53 0.554 4.243 -3.882 398 2HD1 LEU 53 2HD1 LEU 53 2.063 3.501 -4.417 399 3HD1 LEU 53 3HD1 LEU 53 2.090 5.053 -3.571 400 1HD2 LEU 53 1HD2 LEU 53 3.626 2.541 -2.767 401 2HD2 LEU 53 2HD2 LEU 53 3.235 2.567 -1.048 402 3HD2 LEU 53 3HD2 LEU 53 3.684 4.061 -1.871 403 H ARG 54 H ARG 54 -1.418 4.186 0.501 404 HA ARG 54 HA ARG 54 -1.085 6.607 1.874 405 1HB ARG 54 1HB ARG 54 -3.106 5.980 0.617 406 2HB ARG 54 2HB ARG 54 -3.476 4.761 1.826 407 1HG ARG 54 1HG ARG 54 -3.839 6.448 3.497 408 2HG ARG 54 2HG ARG 54 -3.300 7.713 2.389 409 1HD ARG 54 1HD ARG 54 -5.746 7.621 2.547 410 2HD ARG 54 2HD ARG 54 -5.180 7.251 0.919 411 HE ARG 54 HE ARG 54 -6.051 5.199 2.855 412 1HH1 ARG 54 1HH1 ARG 54 -5.865 6.476 -0.404 413 2HH1 ARG 54 2HH1 ARG 54 -6.715 5.133 -1.117 414 1HH2 ARG 54 1HH2 ARG 54 -7.180 3.440 1.928 415 2HH2 ARG 54 2HH2 ARG 54 -7.474 3.423 0.212 416 H ILE 55 H ILE 55 -1.787 3.336 3.063 417 HA ILE 55 HA ILE 55 -2.079 4.099 5.778 418 HB ILE 55 HB ILE 55 -1.383 1.397 4.612 419 1HG1 ILE 55 1HG1 ILE 55 -4.046 2.536 5.501 420 2HG1 ILE 55 2HG1 ILE 55 -3.533 2.352 3.828 421 1HG2 ILE 55 1HG2 ILE 55 -0.780 1.547 6.974 422 2HG2 ILE 55 2HG2 ILE 55 -2.159 0.474 6.734 423 3HG2 ILE 55 3HG2 ILE 55 -2.408 2.105 7.361 424 1HD1 ILE 55 1HD1 ILE 55 -3.972 0.127 5.803 425 2HD1 ILE 55 2HD1 ILE 55 -3.431 -0.073 4.137 426 3HD1 ILE 55 3HD1 ILE 55 -5.038 0.573 4.471 427 H LEU 56 H LEU 56 0.667 2.892 3.908 428 HA LEU 56 HA LEU 56 2.404 2.627 6.152 429 1HB LEU 56 1HB LEU 56 2.581 1.389 3.973 430 2HB LEU 56 2HB LEU 56 3.127 2.878 3.231 431 HG LEU 56 HG LEU 56 4.625 1.700 5.555 432 1HD1 LEU 56 1HD1 LEU 56 4.954 0.982 2.642 433 2HD1 LEU 56 2HD1 LEU 56 4.388 -0.095 3.921 434 3HD1 LEU 56 3HD1 LEU 56 6.043 0.515 3.948 435 1HD2 LEU 56 1HD2 LEU 56 5.476 3.378 3.197 436 2HD2 LEU 56 2HD2 LEU 56 6.509 2.849 4.526 437 3HD2 LEU 56 3HD2 LEU 56 5.185 3.976 4.829 438 H LEU 57 H LEU 57 1.867 5.118 3.715 439 HA LEU 57 HA LEU 57 4.121 6.703 4.431 440 1HB LEU 57 1HB LEU 57 2.931 6.616 2.203 441 2HB LEU 57 2HB LEU 57 1.635 7.531 2.933 442 HG LEU 57 HG LEU 57 3.208 8.849 1.508 443 1HD1 LEU 57 1HD1 LEU 57 3.384 10.746 3.030 444 2HD1 LEU 57 2HD1 LEU 57 3.028 9.683 4.393 445 3HD1 LEU 57 3HD1 LEU 57 1.810 9.958 3.148 446 1HD2 LEU 57 1HD2 LEU 57 5.384 9.449 2.413 447 2HD2 LEU 57 2HD2 LEU 57 5.272 7.713 2.126 448 3HD2 LEU 57 3HD2 LEU 57 5.136 8.347 3.766 449 H GLN 58 H GLN 58 0.650 6.869 5.139 450 HA GLN 58 HA GLN 58 0.397 9.304 6.334 451 1HB GLN 58 1HB GLN 58 -1.419 7.639 5.928 452 2HB GLN 58 2HB GLN 58 -0.885 6.772 7.361 453 1HG GLN 58 1HG GLN 58 -1.412 8.677 8.753 454 2HG GLN 58 2HG GLN 58 -1.869 9.616 7.331 455 1HE2 GLN 58 1HE2 GLN 58 -2.595 6.231 7.710 456 2HE2 GLN 58 2HE2 GLN 58 -4.309 6.412 7.878 457 H GLY 59 H GLY 59 1.562 10.255 7.833 458 1HA GLY 59 1HA GLY 59 1.924 10.148 10.336 459 2HA GLY 59 2HA GLY 59 2.713 8.614 9.995 460 H THR 60 H THR 60 3.622 10.081 7.391 461 HA THR 60 HA THR 60 5.993 11.289 8.636 462 HB THR 60 HB THR 60 7.052 10.937 6.378 463 HG1 THR 60 HG1 THR 60 4.881 9.179 5.870 464 1HG2 THR 60 1HG2 THR 60 7.345 8.508 6.674 465 2HG2 THR 60 2HG2 THR 60 5.997 8.494 7.808 466 3HG2 THR 60 3HG2 THR 60 7.469 9.378 8.205 467 H GLY 61 H GLY 61 3.177 12.396 7.527 468 1HA GLY 61 1HA GLY 61 2.403 14.301 6.526 469 2HA GLY 61 2HA GLY 61 3.912 15.012 7.064 470 H LEU 62 H LEU 62 3.928 12.393 4.745 471 HA LEU 62 HA LEU 62 4.988 14.274 2.769 472 1HB LEU 62 1HB LEU 62 5.146 11.260 2.831 473 2HB LEU 62 2HB LEU 62 5.947 12.308 1.678 474 HG LEU 62 HG LEU 62 6.521 12.191 4.640 475 1HD1 LEU 62 1HD1 LEU 62 8.119 11.234 2.271 476 2HD1 LEU 62 2HD1 LEU 62 7.295 10.214 3.450 477 3HD1 LEU 62 3HD1 LEU 62 8.654 11.223 3.950 478 1HD2 LEU 62 1HD2 LEU 62 6.853 14.430 3.718 479 2HD2 LEU 62 2HD2 LEU 62 7.871 13.758 2.445 480 3HD2 LEU 62 3HD2 LEU 62 8.390 13.673 4.129 481 H ARG 63 H ARG 63 4.492 13.657 0.433 482 HA ARG 63 HA ARG 63 1.704 12.724 0.200 483 1HB ARG 63 1HB ARG 63 3.065 15.071 -1.054 484 2HB ARG 63 2HB ARG 63 1.827 14.230 -1.972 485 1HG ARG 63 1HG ARG 63 0.824 16.089 -0.867 486 2HG ARG 63 2HG ARG 63 0.248 14.611 -0.099 487 1HD ARG 63 1HD ARG 63 1.849 14.927 1.715 488 2HD ARG 63 2HD ARG 63 2.441 16.399 0.947 489 HE ARG 63 HE ARG 63 -0.351 16.596 1.333 490 1HH1 ARG 63 1HH1 ARG 63 2.616 16.540 3.193 491 2HH1 ARG 63 2HH1 ARG 63 2.005 17.560 4.454 492 1HH2 ARG 63 1HH2 ARG 63 -1.182 17.908 2.999 493 2HH2 ARG 63 2HH2 ARG 63 -0.162 18.349 4.345 494 H TYR 64 H TYR 64 1.428 11.031 -1.074 495 HA TYR 64 HA TYR 64 3.710 10.162 -2.698 496 1HB TYR 64 1HB TYR 64 2.800 7.921 -2.622 497 2HB TYR 64 2HB TYR 64 2.888 8.564 -0.989 498 HD1 TYR 64 HD1 TYR 64 0.737 9.395 0.093 499 HD2 TYR 64 HD2 TYR 64 0.783 7.137 -3.512 500 HE1 TYR 64 HE1 TYR 64 -1.628 8.810 0.433 501 HE2 TYR 64 HE2 TYR 64 -1.580 6.548 -3.184 502 HH TYR 64 HH TYR 64 -3.186 6.369 -1.362 503 H GLN 65 H GLN 65 3.654 10.335 -4.802 504 HA GLN 65 HA GLN 65 1.085 10.735 -6.161 505 1HB GLN 65 1HB GLN 65 3.926 11.137 -7.123 506 2HB GLN 65 2HB GLN 65 2.489 11.439 -8.087 507 1HG GLN 65 1HG GLN 65 1.815 13.216 -6.616 508 2HG GLN 65 2HG GLN 65 3.146 12.855 -5.513 509 1HE2 GLN 65 1HE2 GLN 65 5.236 13.407 -6.098 510 2HE2 GLN 65 2HE2 GLN 65 5.580 14.529 -7.370 511 H ILE 66 H ILE 66 0.187 8.876 -6.842 512 HA ILE 66 HA ILE 66 1.982 6.770 -7.832 513 HB ILE 66 HB ILE 66 0.622 5.901 -6.082 514 1HG1 ILE 66 1HG1 ILE 66 -0.555 5.050 -8.739 515 2HG1 ILE 66 2HG1 ILE 66 0.939 4.440 -8.040 516 1HG2 ILE 66 1HG2 ILE 66 -1.756 7.031 -7.549 517 2HG2 ILE 66 2HG2 ILE 66 -1.114 7.566 -5.995 518 3HG2 ILE 66 3HG2 ILE 66 -1.846 5.968 -6.144 519 1HD1 ILE 66 1HD1 ILE 66 -0.327 3.507 -6.173 520 2HD1 ILE 66 2HD1 ILE 66 -0.870 2.871 -7.727 521 3HD1 ILE 66 3HD1 ILE 66 -1.820 4.105 -6.896 522 H ASP 67 H ASP 67 2.222 6.695 -9.929 523 HA ASP 67 HA ASP 67 -0.090 7.214 -11.670 524 1HB ASP 67 1HB ASP 67 1.305 9.260 -11.584 525 2HB ASP 67 2HB ASP 67 2.696 8.320 -12.117 526 H GLY 68 H GLY 68 -0.400 5.181 -12.411 527 1HA GLY 68 1HA GLY 68 -0.017 3.223 -13.545 528 2HA GLY 68 2HA GLY 68 1.307 4.067 -14.331 529 H ASN 69 H ASN 69 3.336 3.491 -13.875 530 HA ASN 69 HA ASN 69 3.726 1.496 -11.740 531 1HB ASN 69 1HB ASN 69 5.335 2.041 -14.244 532 2HB ASN 69 2HB ASN 69 5.846 0.936 -12.976 533 1HD2 ASN 69 1HD2 ASN 69 4.804 -1.035 -12.743 534 2HD2 ASN 69 2HD2 ASN 69 3.757 -1.672 -13.966 535 H THR 70 H THR 70 3.896 4.649 -11.994 536 HA THR 70 HA THR 70 6.559 4.917 -10.767 537 HB THR 70 HB THR 70 4.855 7.114 -11.960 538 HG1 THR 70 HG1 THR 70 6.657 5.306 -13.096 539 1HG2 THR 70 1HG2 THR 70 7.780 7.034 -11.194 540 2HG2 THR 70 2HG2 THR 70 6.506 7.866 -10.305 541 3HG2 THR 70 3HG2 THR 70 6.937 8.402 -11.928 542 H VAL 71 H VAL 71 6.654 5.301 -8.673 543 HA VAL 71 HA VAL 71 4.396 6.676 -7.372 544 HB VAL 71 HB VAL 71 6.228 4.616 -6.119 545 1HG1 VAL 71 1HG1 VAL 71 4.704 4.775 -4.193 546 2HG1 VAL 71 2HG1 VAL 71 3.860 6.102 -4.991 547 3HG1 VAL 71 3HG1 VAL 71 5.549 6.289 -4.511 548 1HG2 VAL 71 1HG2 VAL 71 4.199 3.216 -5.966 549 2HG2 VAL 71 2HG2 VAL 71 4.673 3.545 -7.633 550 3HG2 VAL 71 3HG2 VAL 71 3.323 4.421 -6.913 551 H THR 72 H THR 72 5.011 8.683 -6.910 552 HA THR 72 HA THR 72 7.849 9.167 -6.282 553 HB THR 72 HB THR 72 5.831 11.198 -7.260 554 HG1 THR 72 HG1 THR 72 7.891 10.105 -8.877 555 1HG2 THR 72 1HG2 THR 72 7.746 12.134 -6.060 556 2HG2 THR 72 2HG2 THR 72 7.821 12.532 -7.777 557 3HG2 THR 72 3HG2 THR 72 8.849 11.258 -7.120 558 H VAL 73 H VAL 73 8.167 9.380 -4.164 559 HA VAL 73 HA VAL 73 6.026 10.426 -2.470 560 HB VAL 73 HB VAL 73 8.719 9.319 -1.647 561 1HG1 VAL 73 1HG1 VAL 73 7.657 9.084 0.560 562 2HG1 VAL 73 2HG1 VAL 73 6.210 9.873 -0.067 563 3HG1 VAL 73 3HG1 VAL 73 7.727 10.766 0.033 564 1HG2 VAL 73 1HG2 VAL 73 7.501 7.263 -1.076 565 2HG2 VAL 73 2HG2 VAL 73 7.426 7.614 -2.803 566 3HG2 VAL 73 3HG2 VAL 73 6.034 7.951 -1.775 567 H THR 74 H THR 74 5.959 12.587 -2.477 568 HA THR 74 HA THR 74 8.505 14.052 -2.273 569 HB THR 74 HB THR 74 7.304 14.565 -4.349 570 HG1 THR 74 HG1 THR 74 7.414 16.790 -4.113 571 1HG2 THR 74 1HG2 THR 74 5.022 14.093 -3.613 572 2HG2 THR 74 2HG2 THR 74 5.135 15.717 -4.294 573 3HG2 THR 74 3HG2 THR 74 5.064 15.495 -2.545 574 H ALA 75 H ALA 75 8.505 15.955 -0.925 575 HA ALA 75 HA ALA 75 6.689 15.692 1.340 576 1HB ALA 75 1HB ALA 75 9.073 15.528 1.850 577 2HB ALA 75 2HB ALA 75 8.353 16.947 2.611 578 3HB ALA 75 3HB ALA 75 9.331 17.128 1.153 579 H SER 76 H SER 76 4.961 16.972 1.116 580 HA SER 76 HA SER 76 5.305 19.626 -0.083 581 1HB SER 76 1HB SER 76 2.738 18.138 0.528 582 2HB SER 76 2HB SER 76 2.897 19.621 -0.412 583 HG SER 76 HG SER 76 4.184 18.406 -1.908 584 H ALA 77 H ALA 77 5.896 21.033 1.459 585 HA ALA 77 HA ALA 77 4.898 20.821 4.166 586 1HB ALA 77 1HB ALA 77 6.333 22.748 4.617 587 2HB ALA 77 2HB ALA 77 6.662 22.912 2.892 588 3HB ALA 77 3HB ALA 77 7.213 21.482 3.763 589 H ALA 78 H ALA 78 2.700 21.092 2.734 590 HA ALA 78 HA ALA 78 1.793 23.794 3.396 591 1HB ALA 78 1HB ALA 78 0.582 23.996 1.280 592 2HB ALA 78 2HB ALA 78 1.271 22.467 0.735 593 3HB ALA 78 3HB ALA 78 2.319 23.859 1.010 594 H ALA 79 H ALA 79 0.067 23.632 4.658 595 HA ALA 79 HA ALA 79 -1.431 21.185 4.875 596 1HB ALA 79 1HB ALA 79 -1.943 23.882 6.130 597 2HB ALA 79 2HB ALA 79 -0.981 22.584 6.838 598 3HB ALA 79 3HB ALA 79 -2.713 22.362 6.584 599 H LYS 80 H LYS 80 -1.807 21.484 2.427 600 HA LYS 80 HA LYS 80 -4.551 22.295 2.039 601 1HB LYS 80 1HB LYS 80 -3.113 24.382 1.702 602 2HB LYS 80 2HB LYS 80 -2.422 23.565 0.310 603 1HG LYS 80 1HG LYS 80 -4.803 23.353 -0.554 604 2HG LYS 80 2HG LYS 80 -5.241 24.505 0.708 605 1HD LYS 80 1HD LYS 80 -3.464 26.028 -0.218 606 2HD LYS 80 2HD LYS 80 -3.327 24.917 -1.580 607 1HE LYS 80 1HE LYS 80 -4.777 26.672 -2.254 608 2HE LYS 80 2HE LYS 80 -5.782 25.251 -1.973 609 1HZ LYS 80 1HZ LYS 80 -5.377 27.394 0.041 610 2HZ LYS 80 2HZ LYS 80 -6.518 26.136 0.091 611 3HZ LYS 80 3HZ LYS 80 -6.670 27.376 -1.052 612 H ASP 81 H ASP 81 -4.657 20.003 1.653 613 HA ASP 81 HA ASP 81 -3.085 18.926 -0.547 614 1HB ASP 81 1HB ASP 81 -5.000 17.687 1.420 615 2HB ASP 81 2HB ASP 81 -4.379 16.793 0.038 616 H GLY 82 H GLY 82 -3.906 18.120 -2.450 617 1HA GLY 82 1HA GLY 82 -6.746 18.352 -3.006 618 2HA GLY 82 2HA GLY 82 -5.700 19.437 -3.913 Start of MODEL 2 1 1H SER 1 1H SER 1 -9.264 -4.924 -2.462 2 2H SER 1 2H SER 1 -9.317 -6.619 -2.361 3 3H SER 1 3H SER 1 -10.673 -5.701 -1.942 4 HA SER 1 HA SER 1 -10.913 -6.744 -4.113 5 1HB SER 1 1HB SER 1 -10.694 -3.724 -4.223 6 2HB SER 1 2HB SER 1 -11.732 -4.744 -5.219 7 HG SER 1 HG SER 1 -13.099 -4.979 -3.603 8 H GLN 2 H GLN 2 -9.441 -7.774 -5.340 9 HA GLN 2 HA GLN 2 -7.678 -8.196 -6.709 10 1HB GLN 2 1HB GLN 2 -8.885 -6.619 -8.178 11 2HB GLN 2 2HB GLN 2 -8.002 -5.281 -7.460 12 1HG GLN 2 1HG GLN 2 -5.924 -6.123 -8.350 13 2HG GLN 2 2HG GLN 2 -6.741 -7.555 -8.977 14 1HE2 GLN 2 1HE2 GLN 2 -8.015 -7.395 -10.793 15 2HE2 GLN 2 2HE2 GLN 2 -7.984 -6.009 -11.836 16 H GLU 3 H GLU 3 -6.318 -8.570 -4.930 17 HA GLU 3 HA GLU 3 -4.469 -6.378 -4.277 18 1HB GLU 3 1HB GLU 3 -5.837 -8.216 -2.299 19 2HB GLU 3 2HB GLU 3 -4.582 -7.049 -1.897 20 1HG GLU 3 1HG GLU 3 -5.992 -5.219 -2.576 21 2HG GLU 3 2HG GLU 3 -7.233 -6.337 -3.130 22 H TRP 4 H TRP 4 -2.728 -7.453 -2.681 23 HA TRP 4 HA TRP 4 -1.791 -9.930 -3.940 24 1HB TRP 4 1HB TRP 4 -0.186 -7.373 -3.681 25 2HB TRP 4 2HB TRP 4 0.503 -8.934 -4.108 26 HD1 TRP 4 HD1 TRP 4 -0.245 -9.957 -6.540 27 HE1 TRP 4 HE1 TRP 4 -0.920 -8.744 -8.708 28 HE3 TRP 4 HE3 TRP 4 -1.320 -5.349 -4.586 29 HZ2 TRP 4 HZ2 TRP 4 -1.801 -6.177 -9.485 30 HZ3 TRP 4 HZ3 TRP 4 -2.071 -3.568 -6.113 31 HH2 TRP 4 HH2 TRP 4 -2.304 -3.975 -8.512 32 H THR 5 H THR 5 0.046 -10.885 -2.733 33 HA THR 5 HA THR 5 -0.314 -10.501 0.140 34 HB THR 5 HB THR 5 1.489 -12.517 -1.215 35 HG1 THR 5 HG1 THR 5 -0.232 -13.894 -1.338 36 1HG2 THR 5 1HG2 THR 5 1.847 -12.238 1.178 37 2HG2 THR 5 2HG2 THR 5 1.096 -13.801 0.857 38 3HG2 THR 5 3HG2 THR 5 0.126 -12.468 1.482 39 H LEU 6 H LEU 6 0.791 -8.721 0.773 40 HA LEU 6 HA LEU 6 3.486 -8.316 -0.332 41 1HB LEU 6 1HB LEU 6 1.637 -6.306 0.953 42 2HB LEU 6 2HB LEU 6 3.197 -5.958 0.233 43 HG LEU 6 HG LEU 6 0.757 -6.948 -1.249 44 1HD1 LEU 6 1HD1 LEU 6 0.783 -4.723 -2.277 45 2HD1 LEU 6 2HD1 LEU 6 2.100 -4.249 -1.204 46 3HD1 LEU 6 3HD1 LEU 6 0.516 -4.644 -0.537 47 1HD2 LEU 6 1HD2 LEU 6 2.825 -7.771 -2.249 48 2HD2 LEU 6 2HD2 LEU 6 3.471 -6.131 -2.281 49 3HD2 LEU 6 3HD2 LEU 6 2.070 -6.545 -3.269 50 H ASP 7 H ASP 7 5.170 -7.648 1.022 51 HA ASP 7 HA ASP 7 4.736 -7.968 3.912 52 1HB ASP 7 1HB ASP 7 5.720 -10.041 2.931 53 2HB ASP 7 2HB ASP 7 7.081 -9.087 2.353 54 H ILE 8 H ILE 8 5.070 -5.948 4.636 55 HA ILE 8 HA ILE 8 7.293 -4.403 3.503 56 HB ILE 8 HB ILE 8 4.695 -3.592 4.758 57 1HG1 ILE 8 1HG1 ILE 8 4.734 -1.967 2.837 58 2HG1 ILE 8 2HG1 ILE 8 6.225 -2.724 2.299 59 1HG2 ILE 8 1HG2 ILE 8 5.475 -1.289 5.008 60 2HG2 ILE 8 2HG2 ILE 8 7.110 -1.797 4.589 61 3HG2 ILE 8 3HG2 ILE 8 6.355 -2.389 6.068 62 1HD1 ILE 8 1HD1 ILE 8 3.542 -4.064 2.528 63 2HD1 ILE 8 2HD1 ILE 8 5.037 -4.837 1.999 64 3HD1 ILE 8 3HD1 ILE 8 4.328 -3.538 1.041 65 HA PRO 9 HA PRO 9 9.521 -5.281 7.280 66 1HB PRO 9 1HB PRO 9 11.234 -3.110 6.190 67 2HB PRO 9 2HB PRO 9 11.675 -4.754 6.679 68 1HG PRO 9 1HG PRO 9 11.563 -4.104 4.109 69 2HG PRO 9 2HG PRO 9 10.956 -5.676 4.665 70 1HD PRO 9 1HD PRO 9 9.425 -3.197 3.964 71 2HD PRO 9 2HD PRO 9 9.078 -4.889 3.548 72 H ALA 10 H ALA 10 9.800 -4.321 9.251 73 HA ALA 10 HA ALA 10 8.667 -1.631 9.619 74 1HB ALA 10 1HB ALA 10 8.589 -2.186 11.997 75 2HB ALA 10 2HB ALA 10 9.387 -3.725 11.677 76 3HB ALA 10 3HB ALA 10 7.770 -3.423 11.041 77 H GLN 11 H GLN 11 11.215 -2.107 8.413 78 HA GLN 11 HA GLN 11 13.147 -1.110 10.376 79 1HB GLN 11 1HB GLN 11 13.593 -1.914 7.493 80 2HB GLN 11 2HB GLN 11 14.826 -1.635 8.714 81 1HG GLN 11 1HG GLN 11 14.109 -3.584 9.938 82 2HG GLN 11 2HG GLN 11 12.781 -3.838 8.806 83 1HE2 GLN 11 1HE2 GLN 11 14.494 -3.053 6.523 84 2HE2 GLN 11 2HE2 GLN 11 15.507 -4.416 6.225 85 H SER 12 H SER 12 14.728 0.181 8.255 86 HA SER 12 HA SER 12 13.672 2.770 8.215 87 1HB SER 12 1HB SER 12 16.038 2.303 7.738 88 2HB SER 12 2HB SER 12 15.586 1.476 6.249 89 HG SER 12 HG SER 12 16.214 3.935 6.399 90 H MET 13 H MET 13 12.304 3.826 6.892 91 HA MET 13 HA MET 13 10.374 2.608 5.338 92 1HB MET 13 1HB MET 13 10.253 4.938 6.144 93 2HB MET 13 2HB MET 13 11.507 5.395 5.003 94 1HG MET 13 1HG MET 13 9.445 6.085 4.092 95 2HG MET 13 2HG MET 13 9.972 4.682 3.166 96 1HE MET 13 1HE MET 13 8.287 4.885 6.741 97 2HE MET 13 2HE MET 13 6.594 4.644 6.307 98 3HE MET 13 3HE MET 13 7.440 6.097 5.779 99 H ASN 14 H ASN 14 13.615 3.476 4.513 100 HA ASN 14 HA ASN 14 13.594 3.413 1.737 101 1HB ASN 14 1HB ASN 14 15.554 4.067 3.010 102 2HB ASN 14 2HB ASN 14 15.701 2.453 3.690 103 1HD2 ASN 14 1HD2 ASN 14 17.788 2.228 2.937 104 2HD2 ASN 14 2HD2 ASN 14 18.148 1.969 1.262 105 H SER 15 H SER 15 13.649 0.739 4.062 106 HA SER 15 HA SER 15 14.086 -1.288 2.080 107 1HB SER 15 1HB SER 15 12.999 -1.634 4.887 108 2HB SER 15 2HB SER 15 13.793 -2.852 3.891 109 HG SER 15 HG SER 15 15.676 -1.398 3.972 110 H ALA 16 H ALA 16 11.312 -0.018 3.857 111 HA ALA 16 HA ALA 16 9.390 -1.874 3.036 112 1HB ALA 16 1HB ALA 16 8.989 1.040 3.694 113 2HB ALA 16 2HB ALA 16 9.056 -0.281 4.863 114 3HB ALA 16 3HB ALA 16 7.743 -0.208 3.685 115 H LEU 17 H LEU 17 10.280 1.253 1.585 116 HA LEU 17 HA LEU 17 8.362 1.120 -0.490 117 1HB LEU 17 1HB LEU 17 10.945 2.673 -0.324 118 2HB LEU 17 2HB LEU 17 9.690 2.934 -1.523 119 HG LEU 17 HG LEU 17 9.362 3.305 1.458 120 1HD1 LEU 17 1HD1 LEU 17 10.806 4.998 0.466 121 2HD1 LEU 17 2HD1 LEU 17 9.254 5.683 0.948 122 3HD1 LEU 17 3HD1 LEU 17 9.580 5.343 -0.752 123 1HD2 LEU 17 1HD2 LEU 17 7.473 3.895 -0.819 124 2HD2 LEU 17 2HD2 LEU 17 7.207 4.302 0.876 125 3HD2 LEU 17 3HD2 LEU 17 7.292 2.612 0.377 126 H GLN 18 H GLN 18 11.785 0.223 -0.321 127 HA GLN 18 HA GLN 18 12.093 -0.538 -3.008 128 1HB GLN 18 1HB GLN 18 13.958 -0.223 -1.383 129 2HB GLN 18 2HB GLN 18 13.482 -1.722 -0.597 130 1HG GLN 18 1HG GLN 18 13.895 -2.915 -2.726 131 2HG GLN 18 2HG GLN 18 14.490 -1.405 -3.415 132 1HE2 GLN 18 1HE2 GLN 18 16.538 -2.175 -3.771 133 2HE2 GLN 18 2HE2 GLN 18 17.650 -2.521 -2.488 134 H ALA 19 H ALA 19 10.982 -2.314 -0.175 135 HA ALA 19 HA ALA 19 10.768 -4.853 -1.385 136 1HB ALA 19 1HB ALA 19 10.740 -4.519 1.044 137 2HB ALA 19 2HB ALA 19 9.342 -5.441 0.493 138 3HB ALA 19 3HB ALA 19 9.167 -3.737 0.913 139 H LEU 20 H LEU 20 8.503 -2.145 -1.117 140 HA LEU 20 HA LEU 20 6.243 -3.559 -2.123 141 1HB LEU 20 1HB LEU 20 6.066 -1.504 -0.767 142 2HB LEU 20 2HB LEU 20 6.817 -0.592 -2.061 143 HG LEU 20 HG LEU 20 4.891 -1.109 -3.523 144 1HD1 LEU 20 1HD1 LEU 20 3.735 -2.355 -1.036 145 2HD1 LEU 20 2HD1 LEU 20 4.197 -3.206 -2.510 146 3HD1 LEU 20 3HD1 LEU 20 2.865 -2.053 -2.539 147 1HD2 LEU 20 1HD2 LEU 20 4.950 0.962 -2.233 148 2HD2 LEU 20 2HD2 LEU 20 4.159 0.149 -0.884 149 3HD2 LEU 20 3HD2 LEU 20 3.301 0.362 -2.411 150 H ALA 21 H ALA 21 8.876 -1.780 -3.495 151 HA ALA 21 HA ALA 21 7.826 -1.225 -6.054 152 1HB ALA 21 1HB ALA 21 9.800 -0.088 -5.184 153 2HB ALA 21 2HB ALA 21 10.158 -0.875 -6.720 154 3HB ALA 21 3HB ALA 21 10.699 -1.605 -5.209 155 H LYS 22 H LYS 22 10.017 -3.790 -4.955 156 HA LYS 22 HA LYS 22 10.080 -5.192 -7.394 157 1HB LYS 22 1HB LYS 22 11.743 -5.451 -5.560 158 2HB LYS 22 2HB LYS 22 10.526 -6.288 -4.608 159 1HG LYS 22 1HG LYS 22 12.010 -7.888 -5.614 160 2HG LYS 22 2HG LYS 22 10.406 -8.036 -6.335 161 1HD LYS 22 1HD LYS 22 12.136 -8.173 -8.048 162 2HD LYS 22 2HD LYS 22 11.159 -6.721 -8.268 163 1HE LYS 22 1HE LYS 22 12.899 -5.392 -7.166 164 2HE LYS 22 2HE LYS 22 13.873 -6.847 -6.954 165 1HZ LYS 22 1HZ LYS 22 14.038 -7.075 -9.333 166 2HZ LYS 22 2HZ LYS 22 14.558 -5.524 -8.885 167 3HZ LYS 22 3HZ LYS 22 13.025 -5.737 -9.577 168 H GLN 23 H GLN 23 8.023 -5.519 -4.540 169 HA GLN 23 HA GLN 23 6.831 -7.965 -5.230 170 1HB GLN 23 1HB GLN 23 5.998 -5.725 -3.420 171 2HB GLN 23 2HB GLN 23 4.976 -7.134 -3.654 172 1HG GLN 23 1HG GLN 23 6.658 -8.585 -2.779 173 2HG GLN 23 2HG GLN 23 7.833 -7.270 -2.729 174 1HE2 GLN 23 1HE2 GLN 23 5.926 -5.325 -1.758 175 2HE2 GLN 23 2HE2 GLN 23 5.648 -5.700 -0.095 176 H THR 24 H THR 24 5.989 -4.684 -6.200 177 HA THR 24 HA THR 24 3.592 -5.790 -7.518 178 HB THR 24 HB THR 24 2.725 -3.427 -7.509 179 HG1 THR 24 HG1 THR 24 4.781 -2.966 -5.583 180 1HG2 THR 24 1HG2 THR 24 3.324 -4.626 -4.806 181 2HG2 THR 24 2HG2 THR 24 1.974 -5.064 -5.849 182 3HG2 THR 24 3HG2 THR 24 2.062 -3.445 -5.156 183 H ASP 25 H ASP 25 6.613 -5.036 -8.211 184 HA ASP 25 HA ASP 25 7.825 -4.344 -9.991 185 1HB ASP 25 1HB ASP 25 6.243 -6.093 -11.047 186 2HB ASP 25 2HB ASP 25 5.388 -4.711 -11.721 187 H THR 26 H THR 26 6.978 -2.315 -8.533 188 HA THR 26 HA THR 26 6.105 -0.270 -10.464 189 HB THR 26 HB THR 26 5.586 1.079 -8.348 190 HG1 THR 26 HG1 THR 26 5.163 -1.274 -6.950 191 1HG2 THR 26 1HG2 THR 26 3.830 0.147 -9.750 192 2HG2 THR 26 2HG2 THR 26 3.397 -0.011 -8.046 193 3HG2 THR 26 3HG2 THR 26 3.987 -1.411 -8.940 194 H GLN 27 H GLN 27 7.113 1.869 -10.171 195 HA GLN 27 HA GLN 27 9.919 1.566 -9.352 196 1HB GLN 27 1HB GLN 27 9.480 2.277 -11.701 197 2HB GLN 27 2HB GLN 27 8.678 3.716 -11.088 198 1HG GLN 27 1HG GLN 27 10.708 4.520 -10.120 199 2HG GLN 27 2HG GLN 27 11.540 3.013 -10.499 200 1HE2 GLN 27 1HE2 GLN 27 9.322 4.615 -12.689 201 2HE2 GLN 27 2HE2 GLN 27 10.521 5.068 -13.855 202 H LEU 28 H LEU 28 10.573 2.521 -7.539 203 HA LEU 28 HA LEU 28 8.731 4.407 -6.263 204 1HB LEU 28 1HB LEU 28 10.487 2.277 -5.282 205 2HB LEU 28 2HB LEU 28 10.617 3.760 -4.368 206 HG LEU 28 HG LEU 28 9.019 2.289 -3.320 207 1HD1 LEU 28 1HD1 LEU 28 7.664 4.617 -4.675 208 2HD1 LEU 28 2HD1 LEU 28 8.586 4.673 -3.172 209 3HD1 LEU 28 3HD1 LEU 28 7.074 3.770 -3.245 210 1HD2 LEU 28 1HD2 LEU 28 6.958 1.626 -4.445 211 2HD2 LEU 28 2HD2 LEU 28 8.381 0.982 -5.264 212 3HD2 LEU 28 3HD2 LEU 28 7.531 2.374 -5.936 213 H LEU 29 H LEU 29 9.245 6.463 -6.198 214 HA LEU 29 HA LEU 29 12.030 7.256 -6.721 215 1HB LEU 29 1HB LEU 29 9.884 7.979 -8.131 216 2HB LEU 29 2HB LEU 29 9.745 9.173 -6.857 217 HG LEU 29 HG LEU 29 10.887 10.076 -8.821 218 1HD1 LEU 29 1HD1 LEU 29 11.472 10.988 -6.651 219 2HD1 LEU 29 2HD1 LEU 29 12.876 10.965 -7.718 220 3HD1 LEU 29 3HD1 LEU 29 12.714 9.752 -6.447 221 1HD2 LEU 29 1HD2 LEU 29 13.106 9.251 -9.450 222 2HD2 LEU 29 2HD2 LEU 29 11.859 8.025 -9.670 223 3HD2 LEU 29 3HD2 LEU 29 12.944 7.939 -8.283 224 H TYR 30 H TYR 30 12.973 7.418 -4.772 225 HA TYR 30 HA TYR 30 11.985 9.350 -2.870 226 1HB TYR 30 1HB TYR 30 11.787 7.842 -0.988 227 2HB TYR 30 2HB TYR 30 10.708 7.288 -2.264 228 HD1 TYR 30 HD1 TYR 30 11.409 5.316 -3.671 229 HD2 TYR 30 HD2 TYR 30 13.496 6.443 -0.137 230 HE1 TYR 30 HE1 TYR 30 12.436 3.086 -3.572 231 HE2 TYR 30 HE2 TYR 30 14.530 4.217 -0.034 232 HH TYR 30 HH TYR 30 14.216 1.993 -0.819 233 H SER 31 H SER 31 13.536 9.730 -1.152 234 HA SER 31 HA SER 31 16.152 8.467 -1.537 235 1HB SER 31 1HB SER 31 17.233 10.687 -1.237 236 2HB SER 31 2HB SER 31 16.239 10.630 -2.694 237 HG SER 31 HG SER 31 15.127 12.216 -1.904 238 HA PRO 32 HA PRO 32 16.006 8.026 2.921 239 1HB PRO 32 1HB PRO 32 18.748 8.181 3.322 240 2HB PRO 32 2HB PRO 32 17.866 6.705 2.929 241 1HG PRO 32 1HG PRO 32 19.409 8.525 1.137 242 2HG PRO 32 2HG PRO 32 19.306 6.754 1.120 243 1HD PRO 32 1HD PRO 32 17.952 8.247 -0.648 244 2HD PRO 32 2HD PRO 32 17.252 6.764 0.031 245 H GLU 33 H GLU 33 17.555 10.571 1.178 246 HA GLU 33 HA GLU 33 18.084 12.363 3.299 247 1HB GLU 33 1HB GLU 33 19.061 12.702 1.115 248 2HB GLU 33 2HB GLU 33 17.473 12.816 0.373 249 1HG GLU 33 1HG GLU 33 18.318 15.010 0.513 250 2HG GLU 33 2HG GLU 33 17.080 14.867 1.759 251 H ASP 34 H ASP 34 15.281 11.937 1.156 252 HA ASP 34 HA ASP 34 13.907 14.218 2.210 253 1HB ASP 34 1HB ASP 34 13.656 13.321 -0.138 254 2HB ASP 34 2HB ASP 34 12.736 11.981 0.542 255 H ILE 35 H ILE 35 13.879 10.769 2.833 256 HA ILE 35 HA ILE 35 11.499 11.026 4.498 257 HB ILE 35 HB ILE 35 11.643 8.565 4.714 258 1HG1 ILE 35 1HG1 ILE 35 14.005 8.847 2.839 259 2HG1 ILE 35 2HG1 ILE 35 14.085 8.349 4.525 260 1HG2 ILE 35 1HG2 ILE 35 11.124 8.051 2.353 261 2HG2 ILE 35 2HG2 ILE 35 11.734 9.642 1.900 262 3HG2 ILE 35 3HG2 ILE 35 10.313 9.504 2.935 263 1HD1 ILE 35 1HD1 ILE 35 14.265 6.452 3.013 264 2HD1 ILE 35 2HD1 ILE 35 12.693 6.850 2.319 265 3HD1 ILE 35 3HD1 ILE 35 12.811 6.346 4.005 266 H GLY 36 H GLY 36 14.766 11.396 4.921 267 1HA GLY 36 1HA GLY 36 16.019 11.736 6.807 268 2HA GLY 36 2HA GLY 36 14.520 11.678 7.719 269 H GLY 37 H GLY 37 14.950 8.869 5.923 270 1HA GLY 37 1HA GLY 37 15.497 6.710 6.476 271 2HA GLY 37 2HA GLY 37 16.726 7.394 7.526 272 H LEU 38 H LEU 38 13.193 7.717 7.693 273 HA LEU 38 HA LEU 38 13.294 6.886 10.476 274 1HB LEU 38 1HB LEU 38 10.874 7.504 10.489 275 2HB LEU 38 2HB LEU 38 11.966 8.816 10.102 276 HG LEU 38 HG LEU 38 11.386 8.296 7.634 277 1HD1 LEU 38 1HD1 LEU 38 9.172 7.345 7.278 278 2HD1 LEU 38 2HD1 LEU 38 9.039 6.987 9.000 279 3HD1 LEU 38 3HD1 LEU 38 10.255 6.167 8.022 280 1HD2 LEU 38 1HD2 LEU 38 10.723 10.323 8.773 281 2HD2 LEU 38 2HD2 LEU 38 9.360 9.487 9.521 282 3HD2 LEU 38 3HD2 LEU 38 9.395 9.730 7.774 283 H ARG 39 H ARG 39 11.736 5.279 11.300 284 HA ARG 39 HA ARG 39 11.821 2.941 9.602 285 1HB ARG 39 1HB ARG 39 10.908 1.746 11.572 286 2HB ARG 39 2HB ARG 39 12.395 2.610 11.912 287 1HG ARG 39 1HG ARG 39 11.028 4.448 12.892 288 2HG ARG 39 2HG ARG 39 9.601 3.432 12.673 289 1HD ARG 39 1HD ARG 39 10.400 3.220 14.938 290 2HD ARG 39 2HD ARG 39 10.667 1.702 14.079 291 HE ARG 39 HE ARG 39 12.872 3.629 14.268 292 1HH1 ARG 39 1HH1 ARG 39 11.494 0.520 15.116 293 2HH1 ARG 39 2HH1 ARG 39 12.976 -0.081 15.809 294 1HH2 ARG 39 1HH2 ARG 39 14.810 2.842 15.171 295 2HH2 ARG 39 2HH2 ARG 39 14.841 1.246 15.868 296 H SER 40 H SER 40 10.156 1.815 8.780 297 HA SER 40 HA SER 40 7.647 3.254 8.487 298 1HB SER 40 1HB SER 40 7.227 1.285 6.863 299 2HB SER 40 2HB SER 40 8.468 2.462 6.429 300 HG SER 40 HG SER 40 8.721 -0.202 7.201 301 H SER 41 H SER 41 5.603 2.218 8.822 302 HA SER 41 HA SER 41 5.613 0.267 10.976 303 1HB SER 41 1HB SER 41 3.328 1.681 9.580 304 2HB SER 41 2HB SER 41 3.169 0.645 11.002 305 HG SER 41 HG SER 41 3.803 3.245 10.882 306 H ALA 42 H ALA 42 5.340 -1.837 10.705 307 HA ALA 42 HA ALA 42 5.595 -3.027 8.193 308 1HB ALA 42 1HB ALA 42 4.615 -4.274 10.758 309 2HB ALA 42 2HB ALA 42 6.300 -4.101 10.267 310 3HB ALA 42 3HB ALA 42 5.216 -5.141 9.344 311 H LEU 43 H LEU 43 4.107 -2.793 6.654 312 HA LEU 43 HA LEU 43 1.312 -3.396 7.344 313 1HB LEU 43 1HB LEU 43 2.069 -1.094 6.306 314 2HB LEU 43 2HB LEU 43 2.118 -2.005 4.812 315 HG LEU 43 HG LEU 43 0.012 -0.721 5.165 316 1HD1 LEU 43 1HD1 LEU 43 0.028 -2.644 3.669 317 2HD1 LEU 43 2HD1 LEU 43 -1.515 -2.509 4.514 318 3HD1 LEU 43 3HD1 LEU 43 -0.331 -3.710 5.026 319 1HD2 LEU 43 1HD2 LEU 43 -1.623 -1.569 6.773 320 2HD2 LEU 43 2HD2 LEU 43 -0.170 -0.967 7.570 321 3HD2 LEU 43 3HD2 LEU 43 -0.420 -2.703 7.389 322 H LYS 44 H LYS 44 1.691 -5.639 7.178 323 HA LYS 44 HA LYS 44 2.175 -6.556 4.434 324 1HB LYS 44 1HB LYS 44 3.160 -8.619 5.405 325 2HB LYS 44 2HB LYS 44 4.089 -7.167 5.744 326 1HG LYS 44 1HG LYS 44 3.036 -7.097 7.994 327 2HG LYS 44 2HG LYS 44 2.278 -8.652 7.634 328 1HD LYS 44 1HD LYS 44 4.499 -9.635 7.278 329 2HD LYS 44 2HD LYS 44 5.240 -8.084 7.677 330 1HE LYS 44 1HE LYS 44 4.112 -8.217 9.905 331 2HE LYS 44 2HE LYS 44 3.607 -9.854 9.486 332 1HZ LYS 44 1HZ LYS 44 6.415 -8.904 9.645 333 2HZ LYS 44 2HZ LYS 44 5.929 -10.484 9.260 334 3HZ LYS 44 3HZ LYS 44 5.633 -9.857 10.808 335 H GLY 45 H GLY 45 0.622 -7.664 3.550 336 1HA GLY 45 1HA GLY 45 -1.054 -9.546 4.684 337 2HA GLY 45 2HA GLY 45 -1.864 -7.993 4.873 338 H ARG 46 H ARG 46 -3.490 -8.933 3.448 339 HA ARG 46 HA ARG 46 -2.666 -9.035 0.633 340 1HB ARG 46 1HB ARG 46 -4.988 -10.128 2.148 341 2HB ARG 46 2HB ARG 46 -5.256 -9.664 0.472 342 1HG ARG 46 1HG ARG 46 -3.450 -11.135 -0.234 343 2HG ARG 46 2HG ARG 46 -3.166 -11.604 1.445 344 1HD ARG 46 1HD ARG 46 -5.768 -12.007 -0.025 345 2HD ARG 46 2HD ARG 46 -4.514 -13.237 0.130 346 HE ARG 46 HE ARG 46 -5.175 -12.302 2.691 347 1HH1 ARG 46 1HH1 ARG 46 -6.580 -14.166 0.071 348 2HH1 ARG 46 2HH1 ARG 46 -7.604 -15.104 1.121 349 1HH2 ARG 46 1HH2 ARG 46 -6.533 -13.528 4.060 350 2HH2 ARG 46 2HH2 ARG 46 -7.580 -14.740 3.377 351 H HIS 47 H HIS 47 -2.425 -6.936 0.068 352 HA HIS 47 HA HIS 47 -4.867 -5.356 -0.100 353 1HB HIS 47 1HB HIS 47 -2.425 -4.527 1.415 354 2HB HIS 47 2HB HIS 47 -3.379 -3.304 0.579 355 HD1 HIS 47 HD1 HIS 47 -6.184 -4.691 1.232 356 HD2 HIS 47 HD2 HIS 47 -3.171 -3.766 3.960 357 HE1 HIS 47 HE1 HIS 47 -7.325 -4.445 3.468 358 HE2 HIS 47 HE2 HIS 47 -5.496 -3.806 5.086 359 H ASP 48 H ASP 48 -4.707 -3.569 -1.586 360 HA ASP 48 HA ASP 48 -3.000 -4.207 -3.832 361 1HB ASP 48 1HB ASP 48 -4.300 -2.530 -5.046 362 2HB ASP 48 2HB ASP 48 -5.374 -3.643 -4.204 363 H LEU 49 H LEU 49 -2.224 -2.098 -5.058 364 HA LEU 49 HA LEU 49 0.014 -1.221 -3.636 365 1HB LEU 49 1HB LEU 49 -0.116 -1.333 -6.084 366 2HB LEU 49 2HB LEU 49 -1.265 -0.010 -6.087 367 HG LEU 49 HG LEU 49 0.487 1.469 -5.134 368 1HD1 LEU 49 1HD1 LEU 49 1.854 -0.219 -4.039 369 2HD1 LEU 49 2HD1 LEU 49 2.818 0.719 -5.179 370 3HD1 LEU 49 3HD1 LEU 49 2.285 -0.908 -5.604 371 1HD2 LEU 49 1HD2 LEU 49 1.196 0.085 -7.719 372 2HD2 LEU 49 2HD2 LEU 49 1.784 1.667 -7.205 373 3HD2 LEU 49 3HD2 LEU 49 0.068 1.427 -7.528 374 H GLN 50 H GLN 50 -2.907 0.627 -4.545 375 HA GLN 50 HA GLN 50 -2.082 3.041 -3.390 376 1HB GLN 50 1HB GLN 50 -4.870 2.038 -3.956 377 2HB GLN 50 2HB GLN 50 -4.475 3.692 -3.511 378 1HG GLN 50 1HG GLN 50 -3.565 2.238 -5.982 379 2HG GLN 50 2HG GLN 50 -4.781 3.513 -5.896 380 1HE2 GLN 50 1HE2 GLN 50 -1.405 2.762 -5.840 381 2HE2 GLN 50 2HE2 GLN 50 -0.831 4.385 -5.970 382 H SER 51 H SER 51 -4.144 0.459 -2.084 383 HA SER 51 HA SER 51 -4.767 1.709 0.344 384 1HB SER 51 1HB SER 51 -4.451 -1.250 -0.227 385 2HB SER 51 2HB SER 51 -5.264 -0.559 1.179 386 HG SER 51 HG SER 51 -6.152 -0.868 -1.400 387 H SER 52 H SER 52 -2.051 -0.407 -0.519 388 HA SER 52 HA SER 52 -0.874 -0.535 2.023 389 1HB SER 52 1HB SER 52 0.502 -0.634 -0.677 390 2HB SER 52 2HB SER 52 1.150 -1.241 0.849 391 HG SER 52 HG SER 52 -0.918 -2.269 -0.752 392 H LEU 53 H LEU 53 -0.294 1.700 -0.690 393 HA LEU 53 HA LEU 53 1.705 3.236 0.554 394 1HB LEU 53 1HB LEU 53 -0.296 3.916 -1.593 395 2HB LEU 53 2HB LEU 53 0.971 5.016 -1.085 396 HG LEU 53 HG LEU 53 1.471 2.265 -2.219 397 1HD1 LEU 53 1HD1 LEU 53 1.648 4.963 -3.560 398 2HD1 LEU 53 2HD1 LEU 53 0.427 3.732 -3.879 399 3HD1 LEU 53 3HD1 LEU 53 2.119 3.419 -4.269 400 1HD2 LEU 53 1HD2 LEU 53 3.310 4.591 -1.654 401 2HD2 LEU 53 2HD2 LEU 53 3.775 3.090 -2.453 402 3HD2 LEU 53 3HD2 LEU 53 3.253 3.067 -0.769 403 H ARG 54 H ARG 54 -1.810 3.564 0.506 404 HA ARG 54 HA ARG 54 -1.957 6.104 1.697 405 1HB ARG 54 1HB ARG 54 -3.762 4.520 0.524 406 2HB ARG 54 2HB ARG 54 -4.127 4.119 2.193 407 1HG ARG 54 1HG ARG 54 -4.138 6.895 1.030 408 2HG ARG 54 2HG ARG 54 -5.565 5.896 1.311 409 1HD ARG 54 1HD ARG 54 -5.149 5.904 3.687 410 2HD ARG 54 2HD ARG 54 -3.636 6.775 3.455 411 HE ARG 54 HE ARG 54 -6.223 7.981 2.706 412 1HH1 ARG 54 1HH1 ARG 54 -3.217 8.048 4.490 413 2HH1 ARG 54 2HH1 ARG 54 -3.415 9.688 5.033 414 1HH2 ARG 54 1HH2 ARG 54 -6.506 10.134 3.407 415 2HH2 ARG 54 2HH2 ARG 54 -5.314 10.869 4.446 416 H ILE 55 H ILE 55 -2.178 2.849 3.124 417 HA ILE 55 HA ILE 55 -2.535 3.854 5.775 418 HB ILE 55 HB ILE 55 -1.675 1.071 4.961 419 1HG1 ILE 55 1HG1 ILE 55 -4.451 2.182 5.447 420 2HG1 ILE 55 2HG1 ILE 55 -3.789 1.749 3.875 421 1HG2 ILE 55 1HG2 ILE 55 -2.621 0.418 7.131 422 2HG2 ILE 55 2HG2 ILE 55 -2.964 2.110 7.487 423 3HG2 ILE 55 3HG2 ILE 55 -1.294 1.565 7.320 424 1HD1 ILE 55 1HD1 ILE 55 -5.280 0.033 4.708 425 2HD1 ILE 55 2HD1 ILE 55 -4.299 -0.135 6.163 426 3HD1 ILE 55 3HD1 ILE 55 -3.630 -0.579 4.593 427 H LEU 56 H LEU 56 0.235 2.851 3.857 428 HA LEU 56 HA LEU 56 2.090 2.693 5.989 429 1HB LEU 56 1HB LEU 56 2.463 1.697 3.762 430 2HB LEU 56 2HB LEU 56 2.601 3.304 3.078 431 HG LEU 56 HG LEU 56 4.610 3.702 4.464 432 1HD1 LEU 56 1HD1 LEU 56 5.672 1.822 5.605 433 2HD1 LEU 56 2HD1 LEU 56 4.285 0.802 5.223 434 3HD1 LEU 56 3HD1 LEU 56 4.092 2.183 6.303 435 1HD2 LEU 56 1HD2 LEU 56 6.099 2.205 3.215 436 2HD2 LEU 56 2HD2 LEU 56 4.854 2.905 2.181 437 3HD2 LEU 56 3HD2 LEU 56 4.708 1.236 2.732 438 H LEU 57 H LEU 57 1.133 5.331 3.831 439 HA LEU 57 HA LEU 57 2.900 7.142 5.318 440 1HB LEU 57 1HB LEU 57 1.405 7.581 2.739 441 2HB LEU 57 2HB LEU 57 2.490 8.735 3.490 442 HG LEU 57 HG LEU 57 3.241 6.045 2.343 443 1HD1 LEU 57 1HD1 LEU 57 4.511 7.369 0.737 444 2HD1 LEU 57 2HD1 LEU 57 3.902 8.852 1.471 445 3HD1 LEU 57 3HD1 LEU 57 2.790 7.748 0.662 446 1HD2 LEU 57 1HD2 LEU 57 4.566 6.546 4.323 447 2HD2 LEU 57 2HD2 LEU 57 4.963 8.133 3.668 448 3HD2 LEU 57 3HD2 LEU 57 5.544 6.676 2.861 449 H GLN 58 H GLN 58 0.102 6.010 5.937 450 HA GLN 58 HA GLN 58 -1.820 8.000 6.075 451 1HB GLN 58 1HB GLN 58 -2.131 5.591 6.656 452 2HB GLN 58 2HB GLN 58 -1.283 5.884 8.167 453 1HG GLN 58 1HG GLN 58 -3.047 7.559 8.739 454 2HG GLN 58 2HG GLN 58 -3.927 7.029 7.305 455 1HE2 GLN 58 1HE2 GLN 58 -4.820 4.950 7.261 456 2HE2 GLN 58 2HE2 GLN 58 -5.061 4.032 8.714 457 H GLY 59 H GLY 59 -0.920 10.021 6.574 458 1HA GLY 59 1HA GLY 59 -0.546 11.778 8.008 459 2HA GLY 59 2HA GLY 59 -1.018 10.711 9.319 460 H THR 60 H THR 60 1.656 9.891 7.220 461 HA THR 60 HA THR 60 3.469 10.107 9.469 462 HB THR 60 HB THR 60 5.139 9.113 7.897 463 HG1 THR 60 HG1 THR 60 4.254 8.335 5.882 464 1HG2 THR 60 1HG2 THR 60 4.068 6.907 7.778 465 2HG2 THR 60 2HG2 THR 60 2.502 7.650 8.105 466 3HG2 THR 60 3HG2 THR 60 3.766 7.684 9.333 467 H GLY 61 H GLY 61 2.389 12.295 7.321 468 1HA GLY 61 1HA GLY 61 3.143 14.492 7.076 469 2HA GLY 61 2HA GLY 61 4.702 14.007 7.729 470 H LEU 62 H LEU 62 4.122 11.711 5.534 471 HA LEU 62 HA LEU 62 5.651 13.095 3.467 472 1HB LEU 62 1HB LEU 62 5.012 10.154 3.765 473 2HB LEU 62 2HB LEU 62 6.126 10.859 2.610 474 HG LEU 62 HG LEU 62 6.496 10.896 5.610 475 1HD1 LEU 62 1HD1 LEU 62 6.692 8.642 4.730 476 2HD1 LEU 62 2HD1 LEU 62 8.275 9.263 5.196 477 3HD1 LEU 62 3HD1 LEU 62 7.818 9.204 3.494 478 1HD2 LEU 62 1HD2 LEU 62 7.553 12.796 4.527 479 2HD2 LEU 62 2HD2 LEU 62 8.335 11.723 3.366 480 3HD2 LEU 62 3HD2 LEU 62 8.770 11.646 5.073 481 H ARG 63 H ARG 63 4.986 13.025 1.297 482 HA ARG 63 HA ARG 63 2.151 12.336 0.886 483 1HB ARG 63 1HB ARG 63 2.657 14.823 0.984 484 2HB ARG 63 2HB ARG 63 3.625 14.605 -0.466 485 1HG ARG 63 1HG ARG 63 1.632 13.822 -1.664 486 2HG ARG 63 2HG ARG 63 0.672 14.083 -0.207 487 1HD ARG 63 1HD ARG 63 1.235 16.461 -0.261 488 2HD ARG 63 2HD ARG 63 2.196 16.204 -1.716 489 HE ARG 63 HE ARG 63 -0.508 15.304 -2.011 490 1HH1 ARG 63 1HH1 ARG 63 1.560 18.126 -2.131 491 2HH1 ARG 63 2HH1 ARG 63 0.506 19.021 -3.178 492 1HH2 ARG 63 1HH2 ARG 63 -1.914 16.482 -3.382 493 2HH2 ARG 63 2HH2 ARG 63 -1.486 18.097 -3.866 494 H TYR 64 H TYR 64 1.671 11.687 -1.362 495 HA TYR 64 HA TYR 64 4.038 10.919 -2.890 496 1HB TYR 64 1HB TYR 64 3.344 8.614 -3.153 497 2HB TYR 64 2HB TYR 64 3.524 8.987 -1.447 498 HD1 TYR 64 HD1 TYR 64 1.542 9.097 0.016 499 HD2 TYR 64 HD2 TYR 64 1.193 8.048 -4.092 500 HE1 TYR 64 HE1 TYR 64 -0.712 8.205 0.437 501 HE2 TYR 64 HE2 TYR 64 -1.059 7.156 -3.682 502 HH TYR 64 HH TYR 64 -2.395 6.299 -1.838 503 H GLN 65 H GLN 65 3.833 11.411 -4.927 504 HA GLN 65 HA GLN 65 1.154 11.343 -6.147 505 1HB GLN 65 1HB GLN 65 3.700 12.724 -6.997 506 2HB GLN 65 2HB GLN 65 2.352 12.497 -8.096 507 1HG GLN 65 1HG GLN 65 1.945 14.608 -7.357 508 2HG GLN 65 2HG GLN 65 0.997 13.678 -6.201 509 1HE2 GLN 65 1HE2 GLN 65 1.646 13.596 -4.068 510 2HE2 GLN 65 2HE2 GLN 65 2.889 14.620 -3.428 511 H ILE 66 H ILE 66 0.698 9.629 -7.412 512 HA ILE 66 HA ILE 66 2.948 7.932 -8.222 513 HB ILE 66 HB ILE 66 1.425 6.697 -6.872 514 1HG1 ILE 66 1HG1 ILE 66 0.904 5.989 -9.767 515 2HG1 ILE 66 2HG1 ILE 66 2.349 5.556 -8.864 516 1HG2 ILE 66 1HG2 ILE 66 -0.538 8.099 -7.026 517 2HG2 ILE 66 2HG2 ILE 66 -0.961 6.433 -7.422 518 3HG2 ILE 66 3HG2 ILE 66 -0.779 7.626 -8.708 519 1HD1 ILE 66 1HD1 ILE 66 -0.449 4.648 -8.245 520 2HD1 ILE 66 2HD1 ILE 66 1.006 4.201 -7.355 521 3HD1 ILE 66 3HD1 ILE 66 0.806 3.692 -9.032 522 H ASP 67 H ASP 67 3.618 8.660 -10.123 523 HA ASP 67 HA ASP 67 1.643 9.286 -12.200 524 1HB ASP 67 1HB ASP 67 3.394 10.990 -11.638 525 2HB ASP 67 2HB ASP 67 4.615 9.848 -12.191 526 H GLY 68 H GLY 68 1.191 7.727 -13.568 527 1HA GLY 68 1HA GLY 68 1.393 5.892 -14.927 528 2HA GLY 68 2HA GLY 68 3.119 6.219 -14.968 529 H ASN 69 H ASN 69 4.402 4.779 -14.093 530 HA ASN 69 HA ASN 69 3.272 2.813 -12.212 531 1HB ASN 69 1HB ASN 69 5.059 1.285 -12.984 532 2HB ASN 69 2HB ASN 69 4.010 1.784 -14.308 533 1HD2 ASN 69 1HD2 ASN 69 6.801 0.798 -14.248 534 2HD2 ASN 69 2HD2 ASN 69 7.717 1.998 -15.099 535 H THR 70 H THR 70 4.685 5.546 -11.969 536 HA THR 70 HA THR 70 6.879 4.683 -10.211 537 HB THR 70 HB THR 70 6.572 7.316 -11.673 538 HG1 THR 70 HG1 THR 70 7.863 6.453 -13.175 539 1HG2 THR 70 1HG2 THR 70 8.877 6.226 -10.048 540 2HG2 THR 70 2HG2 THR 70 7.809 7.543 -9.564 541 3HG2 THR 70 3HG2 THR 70 8.876 7.741 -10.955 542 H VAL 71 H VAL 71 6.860 5.260 -8.149 543 HA VAL 71 HA VAL 71 4.615 6.925 -7.198 544 HB VAL 71 HB VAL 71 6.107 4.786 -5.663 545 1HG1 VAL 71 1HG1 VAL 71 4.311 5.017 -4.026 546 2HG1 VAL 71 2HG1 VAL 71 3.587 6.299 -4.997 547 3HG1 VAL 71 3HG1 VAL 71 5.169 6.540 -4.255 548 1HG2 VAL 71 1HG2 VAL 71 4.832 3.771 -7.464 549 2HG2 VAL 71 2HG2 VAL 71 3.388 4.652 -6.964 550 3HG2 VAL 71 3HG2 VAL 71 4.078 3.421 -5.907 551 H THR 72 H THR 72 5.238 8.850 -6.435 552 HA THR 72 HA THR 72 8.079 9.198 -5.782 553 HB THR 72 HB THR 72 6.078 11.392 -6.321 554 HG1 THR 72 HG1 THR 72 6.077 10.433 -8.256 555 1HG2 THR 72 1HG2 THR 72 8.065 12.705 -6.842 556 2HG2 THR 72 2HG2 THR 72 9.088 11.299 -6.546 557 3HG2 THR 72 3HG2 THR 72 8.188 12.028 -5.216 558 H VAL 73 H VAL 73 8.411 8.947 -3.671 559 HA VAL 73 HA VAL 73 6.429 9.868 -1.733 560 HB VAL 73 HB VAL 73 9.053 8.431 -1.261 561 1HG1 VAL 73 1HG1 VAL 73 6.725 8.935 0.592 562 2HG1 VAL 73 2HG1 VAL 73 8.303 9.715 0.677 563 3HG1 VAL 73 3HG1 VAL 73 8.156 7.982 0.973 564 1HG2 VAL 73 1HG2 VAL 73 7.673 6.437 -0.897 565 2HG2 VAL 73 2HG2 VAL 73 7.512 7.051 -2.542 566 3HG2 VAL 73 3HG2 VAL 73 6.238 7.350 -1.359 567 H THR 74 H THR 74 6.520 11.892 -1.107 568 HA THR 74 HA THR 74 9.124 13.173 -0.692 569 HB THR 74 HB THR 74 6.887 14.328 -2.370 570 HG1 THR 74 HG1 THR 74 9.071 12.834 -2.939 571 1HG2 THR 74 1HG2 THR 74 9.564 15.522 -1.639 572 2HG2 THR 74 2HG2 THR 74 7.993 16.060 -1.045 573 3HG2 THR 74 3HG2 THR 74 8.392 16.216 -2.756 574 H ALA 75 H ALA 75 9.161 14.036 1.282 575 HA ALA 75 HA ALA 75 6.923 14.382 2.944 576 1HB ALA 75 1HB ALA 75 9.225 14.172 3.781 577 2HB ALA 75 2HB ALA 75 8.423 15.606 4.421 578 3HB ALA 75 3HB ALA 75 9.603 15.762 3.120 579 H SER 76 H SER 76 5.500 16.012 3.220 580 HA SER 76 HA SER 76 6.066 18.659 2.169 581 1HB SER 76 1HB SER 76 3.704 17.047 1.167 582 2HB SER 76 2HB SER 76 4.039 18.735 0.781 583 HG SER 76 HG SER 76 6.232 17.372 0.229 584 H ALA 77 H ALA 77 5.977 19.148 4.408 585 HA ALA 77 HA ALA 77 3.235 19.548 5.358 586 1HB ALA 77 1HB ALA 77 3.889 18.912 7.639 587 2HB ALA 77 2HB ALA 77 5.480 18.436 7.045 588 3HB ALA 77 3HB ALA 77 4.041 17.564 6.514 589 H ALA 78 H ALA 78 3.082 21.699 5.329 590 HA ALA 78 HA ALA 78 4.728 23.304 7.024 591 1HB ALA 78 1HB ALA 78 4.926 23.776 4.045 592 2HB ALA 78 2HB ALA 78 6.215 23.153 5.074 593 3HB ALA 78 3HB ALA 78 5.617 24.796 5.306 594 H ALA 79 H ALA 79 4.132 25.743 6.524 595 HA ALA 79 HA ALA 79 2.564 27.374 6.478 596 1HB ALA 79 1HB ALA 79 2.443 26.790 4.104 597 2HB ALA 79 2HB ALA 79 0.882 27.321 4.726 598 3HB ALA 79 3HB ALA 79 1.188 25.605 4.463 599 H LYS 80 H LYS 80 2.325 25.817 8.649 600 HA LYS 80 HA LYS 80 -0.544 25.274 8.935 601 1HB LYS 80 1HB LYS 80 1.115 23.551 9.676 602 2HB LYS 80 2HB LYS 80 1.693 24.687 10.884 603 1HG LYS 80 1HG LYS 80 0.178 23.062 11.862 604 2HG LYS 80 2HG LYS 80 -0.496 24.689 11.952 605 1HD LYS 80 1HD LYS 80 -2.219 23.110 11.304 606 2HD LYS 80 2HD LYS 80 -1.870 24.202 9.966 607 1HE LYS 80 1HE LYS 80 -0.443 22.478 8.948 608 2HE LYS 80 2HE LYS 80 -0.830 21.384 10.277 609 1HZ LYS 80 1HZ LYS 80 -2.207 20.926 8.348 610 2HZ LYS 80 2HZ LYS 80 -2.784 22.521 8.340 611 3HZ LYS 80 3HZ LYS 80 -3.165 21.486 9.625 612 H ASP 81 H ASP 81 -1.789 26.313 10.474 613 HA ASP 81 HA ASP 81 -2.560 28.042 11.709 614 1HB ASP 81 1HB ASP 81 0.339 28.188 12.517 615 2HB ASP 81 2HB ASP 81 -0.844 29.350 13.106 616 H GLY 82 H GLY 82 -2.456 28.544 9.142 617 1HA GLY 82 1HA GLY 82 -1.126 31.129 8.768 618 2HA GLY 82 2HA GLY 82 -1.850 30.150 7.498 Start of MODEL 3 1 1H SER 1 1H SER 1 -9.602 -6.396 -4.680 2 2H SER 1 2H SER 1 -11.140 -5.719 -4.948 3 3H SER 1 3H SER 1 -9.780 -5.050 -5.700 4 HA SER 1 HA SER 1 -10.890 -7.744 -6.194 5 1HB SER 1 1HB SER 1 -10.788 -5.321 -8.006 6 2HB SER 1 2HB SER 1 -11.560 -6.868 -8.351 7 HG SER 1 HG SER 1 -13.035 -5.225 -7.639 8 H GLN 2 H GLN 2 -8.281 -5.484 -6.513 9 HA GLN 2 HA GLN 2 -6.671 -7.539 -7.856 10 1HB GLN 2 1HB GLN 2 -6.722 -4.588 -8.543 11 2HB GLN 2 2HB GLN 2 -5.596 -5.761 -9.211 12 1HG GLN 2 1HG GLN 2 -7.315 -6.878 -10.389 13 2HG GLN 2 2HG GLN 2 -8.574 -6.011 -9.513 14 1HE2 GLN 2 1HE2 GLN 2 -5.688 -4.454 -10.716 15 2HE2 GLN 2 2HE2 GLN 2 -6.472 -3.529 -11.954 16 H GLU 3 H GLU 3 -5.869 -7.977 -5.719 17 HA GLU 3 HA GLU 3 -4.218 -5.810 -4.577 18 1HB GLU 3 1HB GLU 3 -5.415 -8.193 -3.156 19 2HB GLU 3 2HB GLU 3 -4.431 -6.944 -2.411 20 1HG GLU 3 1HG GLU 3 -6.320 -5.907 -1.917 21 2HG GLU 3 2HG GLU 3 -6.478 -5.545 -3.639 22 H TRP 4 H TRP 4 -2.436 -6.802 -3.121 23 HA TRP 4 HA TRP 4 -1.208 -9.145 -4.395 24 1HB TRP 4 1HB TRP 4 0.204 -6.562 -3.675 25 2HB TRP 4 2HB TRP 4 1.011 -8.037 -4.190 26 HD1 TRP 4 HD1 TRP 4 0.892 -8.660 -6.786 27 HE1 TRP 4 HE1 TRP 4 0.348 -7.249 -8.870 28 HE3 TRP 4 HE3 TRP 4 -1.299 -4.643 -4.499 29 HZ2 TRP 4 HZ2 TRP 4 -0.853 -4.766 -9.462 30 HZ3 TRP 4 HZ3 TRP 4 -2.121 -2.795 -5.899 31 HH2 TRP 4 HH2 TRP 4 -1.901 -2.858 -8.324 32 H THR 5 H THR 5 0.280 -10.286 -2.973 33 HA THR 5 HA THR 5 -0.299 -9.812 -0.145 34 HB THR 5 HB THR 5 -0.579 -12.111 -0.856 35 HG1 THR 5 HG1 THR 5 1.817 -12.354 0.555 36 1HG2 THR 5 1HG2 THR 5 2.332 -12.060 -1.647 37 2HG2 THR 5 2HG2 THR 5 0.963 -12.147 -2.754 38 3HG2 THR 5 3HG2 THR 5 1.286 -13.480 -1.644 39 H LEU 6 H LEU 6 0.947 -8.362 0.764 40 HA LEU 6 HA LEU 6 3.574 -7.835 -0.403 41 1HB LEU 6 1HB LEU 6 1.954 -6.186 1.534 42 2HB LEU 6 2HB LEU 6 3.424 -5.683 0.721 43 HG LEU 6 HG LEU 6 0.825 -6.337 -0.669 44 1HD1 LEU 6 1HD1 LEU 6 2.108 -3.679 -0.052 45 2HD1 LEU 6 2HD1 LEU 6 0.633 -4.321 0.674 46 3HD1 LEU 6 3HD1 LEU 6 0.669 -3.924 -1.044 47 1HD2 LEU 6 1HD2 LEU 6 1.925 -5.313 -2.618 48 2HD2 LEU 6 2HD2 LEU 6 2.749 -6.774 -2.070 49 3HD2 LEU 6 3HD2 LEU 6 3.420 -5.187 -1.687 50 H ASP 7 H ASP 7 5.401 -7.467 0.847 51 HA ASP 7 HA ASP 7 5.292 -8.101 3.698 52 1HB ASP 7 1HB ASP 7 6.057 -10.169 2.621 53 2HB ASP 7 2HB ASP 7 7.310 -9.273 1.763 54 H ILE 8 H ILE 8 5.887 -6.263 4.584 55 HA ILE 8 HA ILE 8 8.044 -4.715 3.320 56 HB ILE 8 HB ILE 8 5.553 -3.728 4.722 57 1HG1 ILE 8 1HG1 ILE 8 6.508 -3.422 1.865 58 2HG1 ILE 8 2HG1 ILE 8 5.236 -4.512 2.404 59 1HG2 ILE 8 1HG2 ILE 8 7.432 -2.304 5.313 60 2HG2 ILE 8 2HG2 ILE 8 6.351 -1.464 4.199 61 3HG2 ILE 8 3HG2 ILE 8 7.867 -2.145 3.609 62 1HD1 ILE 8 1HD1 ILE 8 4.299 -2.537 1.392 63 2HD1 ILE 8 2HD1 ILE 8 5.181 -1.509 2.521 64 3HD1 ILE 8 3HD1 ILE 8 3.908 -2.579 3.113 65 HA PRO 9 HA PRO 9 10.219 -5.448 7.149 66 1HB PRO 9 1HB PRO 9 11.692 -3.052 6.172 67 2HB PRO 9 2HB PRO 9 12.313 -4.621 6.701 68 1HG PRO 9 1HG PRO 9 12.245 -4.014 4.121 69 2HG PRO 9 2HG PRO 9 11.818 -5.646 4.675 70 1HD PRO 9 1HD PRO 9 10.034 -3.409 3.806 71 2HD PRO 9 2HD PRO 9 9.899 -5.150 3.489 72 H ALA 10 H ALA 10 10.821 -4.285 9.062 73 HA ALA 10 HA ALA 10 9.107 -1.932 9.576 74 1HB ALA 10 1HB ALA 10 8.235 -3.915 10.707 75 2HB ALA 10 2HB ALA 10 8.847 -2.743 11.878 76 3HB ALA 10 3HB ALA 10 9.802 -4.174 11.477 77 H GLN 11 H GLN 11 11.837 -2.225 8.680 78 HA GLN 11 HA GLN 11 13.375 -1.069 10.885 79 1HB GLN 11 1HB GLN 11 15.336 -1.555 9.430 80 2HB GLN 11 2HB GLN 11 14.415 -2.999 9.836 81 1HG GLN 11 1HG GLN 11 13.290 -2.849 7.642 82 2HG GLN 11 2HG GLN 11 14.323 -1.480 7.239 83 1HE2 GLN 11 1HE2 GLN 11 14.156 -4.898 7.746 84 2HE2 GLN 11 2HE2 GLN 11 15.691 -5.284 7.048 85 H SER 12 H SER 12 15.259 0.081 8.919 86 HA SER 12 HA SER 12 14.250 2.648 8.632 87 1HB SER 12 1HB SER 12 16.125 2.856 6.893 88 2HB SER 12 2HB SER 12 16.588 2.392 8.529 89 HG SER 12 HG SER 12 16.734 0.980 6.173 90 H MET 13 H MET 13 12.992 3.621 7.260 91 HA MET 13 HA MET 13 11.131 2.301 5.737 92 1HB MET 13 1HB MET 13 10.952 4.598 6.663 93 2HB MET 13 2HB MET 13 12.019 5.165 5.388 94 1HG MET 13 1HG MET 13 10.380 4.480 3.711 95 2HG MET 13 2HG MET 13 9.311 3.916 4.996 96 1HE MET 13 1HE MET 13 8.517 7.285 6.871 97 2HE MET 13 2HE MET 13 9.843 6.174 7.213 98 3HE MET 13 3HE MET 13 8.240 5.543 6.837 99 H ASN 14 H ASN 14 14.277 3.442 4.693 100 HA ASN 14 HA ASN 14 13.852 3.538 1.927 101 1HB ASN 14 1HB ASN 14 16.288 3.217 1.680 102 2HB ASN 14 2HB ASN 14 15.900 4.434 2.888 103 1HD2 ASN 14 1HD2 ASN 14 18.270 2.671 2.444 104 2HD2 ASN 14 2HD2 ASN 14 18.530 1.899 3.976 105 H SER 15 H SER 15 14.555 0.796 4.045 106 HA SER 15 HA SER 15 15.007 -1.036 1.880 107 1HB SER 15 1HB SER 15 14.298 -1.735 4.744 108 2HB SER 15 2HB SER 15 15.190 -2.715 3.574 109 HG SER 15 HG SER 15 16.406 -1.470 5.274 110 H ALA 16 H ALA 16 12.368 -0.151 4.009 111 HA ALA 16 HA ALA 16 10.549 -2.160 3.314 112 1HB ALA 16 1HB ALA 16 8.855 -0.714 4.261 113 2HB ALA 16 2HB ALA 16 9.958 0.660 4.175 114 3HB ALA 16 3HB ALA 16 10.314 -0.688 5.253 115 H LEU 17 H LEU 17 11.068 1.061 1.930 116 HA LEU 17 HA LEU 17 8.899 0.954 0.133 117 1HB LEU 17 1HB LEU 17 11.456 2.551 0.010 118 2HB LEU 17 2HB LEU 17 10.074 2.806 -1.039 119 HG LEU 17 HG LEU 17 10.073 3.135 1.964 120 1HD1 LEU 17 1HD1 LEU 17 11.340 4.890 0.882 121 2HD1 LEU 17 2HD1 LEU 17 9.797 5.524 1.460 122 3HD1 LEU 17 3HD1 LEU 17 10.022 5.172 -0.254 123 1HD2 LEU 17 1HD2 LEU 17 7.837 4.056 1.653 124 2HD2 LEU 17 2HD2 LEU 17 7.914 2.384 1.100 125 3HD2 LEU 17 3HD2 LEU 17 7.921 3.701 -0.072 126 H GLN 18 H GLN 18 12.300 0.032 -0.198 127 HA GLN 18 HA GLN 18 12.210 -0.632 -2.927 128 1HB GLN 18 1HB GLN 18 14.295 -0.409 -1.590 129 2HB GLN 18 2HB GLN 18 13.909 -1.922 -0.782 130 1HG GLN 18 1HG GLN 18 13.992 -3.070 -2.965 131 2HG GLN 18 2HG GLN 18 14.468 -1.549 -3.717 132 1HE2 GLN 18 1HE2 GLN 18 16.427 -2.310 -4.422 133 2HE2 GLN 18 2HE2 GLN 18 17.747 -2.664 -3.344 134 H ALA 19 H ALA 19 11.392 -2.465 -0.032 135 HA ALA 19 HA ALA 19 11.019 -4.957 -1.324 136 1HB ALA 19 1HB ALA 19 9.885 -5.640 0.717 137 2HB ALA 19 2HB ALA 19 9.802 -3.961 1.249 138 3HB ALA 19 3HB ALA 19 11.366 -4.758 1.089 139 H LEU 20 H LEU 20 8.833 -2.263 -0.581 140 HA LEU 20 HA LEU 20 6.441 -3.595 -1.353 141 1HB LEU 20 1HB LEU 20 6.377 -1.635 0.084 142 2HB LEU 20 2HB LEU 20 7.129 -0.660 -1.161 143 HG LEU 20 HG LEU 20 5.125 -0.927 -2.573 144 1HD1 LEU 20 1HD1 LEU 20 3.976 -2.335 -0.169 145 2HD1 LEU 20 2HD1 LEU 20 4.370 -3.081 -1.719 146 3HD1 LEU 20 3HD1 LEU 20 3.089 -1.873 -1.623 147 1HD2 LEU 20 1HD2 LEU 20 3.651 0.506 -1.240 148 2HD2 LEU 20 2HD2 LEU 20 5.336 1.011 -1.117 149 3HD2 LEU 20 3HD2 LEU 20 4.585 0.116 0.204 150 H ALA 21 H ALA 21 8.889 -1.737 -2.984 151 HA ALA 21 HA ALA 21 7.496 -1.181 -5.386 152 1HB ALA 21 1HB ALA 21 9.690 -0.683 -6.315 153 2HB ALA 21 2HB ALA 21 10.466 -1.448 -4.928 154 3HB ALA 21 3HB ALA 21 9.521 0.025 -4.708 155 H LYS 22 H LYS 22 9.926 -3.641 -4.578 156 HA LYS 22 HA LYS 22 9.793 -4.970 -7.059 157 1HB LYS 22 1HB LYS 22 11.710 -5.161 -5.538 158 2HB LYS 22 2HB LYS 22 10.707 -6.022 -4.378 159 1HG LYS 22 1HG LYS 22 10.485 -7.893 -5.831 160 2HG LYS 22 2HG LYS 22 11.229 -7.017 -7.169 161 1HD LYS 22 1HD LYS 22 12.604 -7.754 -4.588 162 2HD LYS 22 2HD LYS 22 12.761 -8.633 -6.108 163 1HE LYS 22 1HE LYS 22 13.595 -5.785 -5.566 164 2HE LYS 22 2HE LYS 22 14.657 -7.168 -5.817 165 1HZ LYS 22 1HZ LYS 22 13.690 -7.361 -8.083 166 2HZ LYS 22 2HZ LYS 22 14.555 -5.926 -7.829 167 3HZ LYS 22 3HZ LYS 22 12.861 -5.904 -7.821 168 H GLN 23 H GLN 23 7.983 -5.348 -4.081 169 HA GLN 23 HA GLN 23 6.884 -7.890 -4.639 170 1HB GLN 23 1HB GLN 23 6.571 -5.844 -2.616 171 2HB GLN 23 2HB GLN 23 5.014 -6.534 -3.057 172 1HG GLN 23 1HG GLN 23 5.951 -7.738 -1.196 173 2HG GLN 23 2HG GLN 23 5.891 -8.775 -2.618 174 1HE2 GLN 23 1HE2 GLN 23 7.923 -7.110 -0.371 175 2HE2 GLN 23 2HE2 GLN 23 9.409 -7.845 -0.856 176 H THR 24 H THR 24 6.035 -4.696 -5.738 177 HA THR 24 HA THR 24 3.572 -5.802 -6.922 178 HB THR 24 HB THR 24 2.843 -3.375 -7.078 179 HG1 THR 24 HG1 THR 24 4.832 -2.951 -5.083 180 1HG2 THR 24 1HG2 THR 24 1.934 -4.898 -5.397 181 2HG2 THR 24 2HG2 THR 24 2.125 -3.275 -4.736 182 3HG2 THR 24 3HG2 THR 24 3.287 -4.537 -4.325 183 H ASP 25 H ASP 25 6.623 -5.137 -7.722 184 HA ASP 25 HA ASP 25 7.793 -4.656 -9.600 185 1HB ASP 25 1HB ASP 25 5.155 -5.373 -10.888 186 2HB ASP 25 2HB ASP 25 6.619 -5.034 -11.804 187 H THR 26 H THR 26 6.785 -2.484 -8.207 188 HA THR 26 HA THR 26 6.019 -0.601 -10.334 189 HB THR 26 HB THR 26 5.219 0.858 -8.451 190 HG1 THR 26 HG1 THR 26 5.057 -1.346 -6.745 191 1HG2 THR 26 1HG2 THR 26 3.148 -0.430 -8.045 192 2HG2 THR 26 2HG2 THR 26 3.927 -1.861 -8.723 193 3HG2 THR 26 3HG2 THR 26 3.632 -0.451 -9.740 194 H GLN 27 H GLN 27 6.836 1.647 -9.983 195 HA GLN 27 HA GLN 27 9.604 1.566 -8.991 196 1HB GLN 27 1HB GLN 27 8.264 3.467 -10.918 197 2HB GLN 27 2HB GLN 27 9.890 3.695 -10.293 198 1HG GLN 27 1HG GLN 27 10.344 1.349 -11.251 199 2HG GLN 27 2HG GLN 27 8.867 1.616 -12.173 200 1HE2 GLN 27 1HE2 GLN 27 11.140 4.125 -11.267 201 2HE2 GLN 27 2HE2 GLN 27 11.683 4.479 -12.876 202 H LEU 28 H LEU 28 9.984 2.451 -7.100 203 HA LEU 28 HA LEU 28 8.183 4.589 -6.178 204 1HB LEU 28 1HB LEU 28 9.805 2.643 -4.531 205 2HB LEU 28 2HB LEU 28 8.864 3.969 -3.878 206 HG LEU 28 HG LEU 28 7.796 1.538 -5.310 207 1HD1 LEU 28 1HD1 LEU 28 6.719 1.088 -3.150 208 2HD1 LEU 28 2HD1 LEU 28 7.547 2.486 -2.463 209 3HD1 LEU 28 3HD1 LEU 28 8.478 1.100 -3.027 210 1HD2 LEU 28 1HD2 LEU 28 6.485 3.511 -5.896 211 2HD2 LEU 28 2HD2 LEU 28 6.305 3.906 -4.186 212 3HD2 LEU 28 3HD2 LEU 28 5.577 2.436 -4.833 213 H LEU 29 H LEU 29 9.080 6.505 -6.288 214 HA LEU 29 HA LEU 29 12.005 6.697 -6.346 215 1HB LEU 29 1HB LEU 29 9.872 8.635 -7.256 216 2HB LEU 29 2HB LEU 29 11.600 8.896 -7.397 217 HG LEU 29 HG LEU 29 10.121 6.635 -8.741 218 1HD1 LEU 29 1HD1 LEU 29 9.402 8.800 -9.630 219 2HD1 LEU 29 2HD1 LEU 29 10.360 7.894 -10.803 220 3HD1 LEU 29 3HD1 LEU 29 11.087 9.238 -9.917 221 1HD2 LEU 29 1HD2 LEU 29 12.926 7.691 -9.080 222 2HD2 LEU 29 2HD2 LEU 29 12.185 6.413 -10.041 223 3HD2 LEU 29 3HD2 LEU 29 12.469 6.166 -8.317 224 H TYR 30 H TYR 30 13.041 7.521 -4.654 225 HA TYR 30 HA TYR 30 11.863 9.536 -2.971 226 1HB TYR 30 1HB TYR 30 11.970 8.192 -0.891 227 2HB TYR 30 2HB TYR 30 10.774 7.581 -2.026 228 HD1 TYR 30 HD1 TYR 30 11.199 5.474 -3.259 229 HD2 TYR 30 HD2 TYR 30 13.868 6.855 -0.244 230 HE1 TYR 30 HE1 TYR 30 12.199 3.233 -3.127 231 HE2 TYR 30 HE2 TYR 30 14.875 4.614 -0.106 232 HH TYR 30 HH TYR 30 14.238 2.265 -0.609 233 H SER 31 H SER 31 13.348 10.396 -1.436 234 HA SER 31 HA SER 31 16.148 9.822 -2.091 235 1HB SER 31 1HB SER 31 15.359 12.136 -2.458 236 2HB SER 31 2HB SER 31 14.908 12.245 -0.759 237 HG SER 31 HG SER 31 16.863 13.003 -0.568 238 HA PRO 32 HA PRO 32 16.340 7.537 1.673 239 1HB PRO 32 1HB PRO 32 19.087 7.511 1.895 240 2HB PRO 32 2HB PRO 32 18.150 6.421 0.869 241 1HG PRO 32 1HG PRO 32 19.588 8.942 0.144 242 2HG PRO 32 2HG PRO 32 19.503 7.405 -0.740 243 1HD PRO 32 1HD PRO 32 18.023 9.514 -1.469 244 2HD PRO 32 2HD PRO 32 17.382 7.860 -1.572 245 H GLU 33 H GLU 33 18.252 10.520 1.397 246 HA GLU 33 HA GLU 33 18.659 10.729 4.227 247 1HB GLU 33 1HB GLU 33 20.230 11.721 2.607 248 2HB GLU 33 2HB GLU 33 18.971 12.827 2.072 249 1HG GLU 33 1HG GLU 33 18.866 13.746 4.365 250 2HG GLU 33 2HG GLU 33 20.222 12.711 4.804 251 H ASP 34 H ASP 34 16.168 11.616 2.027 252 HA ASP 34 HA ASP 34 15.229 13.823 3.663 253 1HB ASP 34 1HB ASP 34 14.369 12.763 0.978 254 2HB ASP 34 2HB ASP 34 13.492 14.036 1.822 255 H ILE 35 H ILE 35 14.808 10.546 3.731 256 HA ILE 35 HA ILE 35 12.083 10.786 4.789 257 HB ILE 35 HB ILE 35 12.090 8.316 4.894 258 1HG1 ILE 35 1HG1 ILE 35 14.786 8.562 3.540 259 2HG1 ILE 35 2HG1 ILE 35 14.513 7.983 5.179 260 1HG2 ILE 35 1HG2 ILE 35 12.796 9.485 2.204 261 2HG2 ILE 35 2HG2 ILE 35 11.194 9.427 2.938 262 3HG2 ILE 35 3HG2 ILE 35 12.000 7.933 2.465 263 1HD1 ILE 35 1HD1 ILE 35 13.235 6.095 4.271 264 2HD1 ILE 35 2HD1 ILE 35 14.897 6.132 3.686 265 3HD1 ILE 35 3HD1 ILE 35 13.582 6.665 2.640 266 H GLY 36 H GLY 36 15.036 11.327 5.872 267 1HA GLY 36 1HA GLY 36 15.775 11.761 7.994 268 2HA GLY 36 2HA GLY 36 14.160 11.380 8.556 269 H GLY 37 H GLY 37 15.419 8.761 6.860 270 1HA GLY 37 1HA GLY 37 16.139 6.686 7.549 271 2HA GLY 37 2HA GLY 37 17.010 7.519 8.832 272 H LEU 38 H LEU 38 13.542 7.511 8.238 273 HA LEU 38 HA LEU 38 13.030 6.824 11.006 274 1HB LEU 38 1HB LEU 38 11.123 7.346 8.720 275 2HB LEU 38 2HB LEU 38 10.684 7.227 10.412 276 HG LEU 38 HG LEU 38 12.524 9.353 9.318 277 1HD1 LEU 38 1HD1 LEU 38 10.357 9.606 8.290 278 2HD1 LEU 38 2HD1 LEU 38 10.575 10.851 9.522 279 3HD1 LEU 38 3HD1 LEU 38 9.559 9.447 9.857 280 1HD2 LEU 38 1HD2 LEU 38 12.043 10.470 11.442 281 2HD2 LEU 38 2HD2 LEU 38 12.788 8.893 11.703 282 3HD2 LEU 38 3HD2 LEU 38 11.054 9.097 11.943 283 H ARG 39 H ARG 39 11.641 5.054 11.636 284 HA ARG 39 HA ARG 39 11.971 2.682 10.034 285 1HB ARG 39 1HB ARG 39 10.732 1.530 11.808 286 2HB ARG 39 2HB ARG 39 12.039 2.494 12.471 287 1HG ARG 39 1HG ARG 39 10.488 4.202 13.169 288 2HG ARG 39 2HG ARG 39 9.157 3.362 12.373 289 1HD ARG 39 1HD ARG 39 9.563 1.430 13.896 290 2HD ARG 39 2HD ARG 39 10.743 2.420 14.757 291 HE ARG 39 HE ARG 39 8.203 3.721 14.530 292 1HH1 ARG 39 1HH1 ARG 39 9.950 1.282 16.357 293 2HH1 ARG 39 2HH1 ARG 39 8.997 1.503 17.797 294 1HH2 ARG 39 1HH2 ARG 39 6.943 3.997 16.409 295 2HH2 ARG 39 2HH2 ARG 39 7.273 3.034 17.822 296 H SER 40 H SER 40 10.434 1.570 8.943 297 HA SER 40 HA SER 40 8.131 3.098 8.086 298 1HB SER 40 1HB SER 40 7.864 1.041 6.568 299 2HB SER 40 2HB SER 40 9.290 2.052 6.327 300 HG SER 40 HG SER 40 9.085 -0.539 7.331 301 H SER 41 H SER 41 5.990 2.286 8.099 302 HA SER 41 HA SER 41 5.378 0.538 10.335 303 1HB SER 41 1HB SER 41 3.528 1.978 8.408 304 2HB SER 41 2HB SER 41 3.041 1.146 9.882 305 HG SER 41 HG SER 41 5.005 2.917 10.405 306 H ALA 42 H ALA 42 5.753 -1.524 9.877 307 HA ALA 42 HA ALA 42 5.880 -2.677 7.348 308 1HB ALA 42 1HB ALA 42 5.396 -4.047 9.988 309 2HB ALA 42 2HB ALA 42 6.972 -3.591 9.339 310 3HB ALA 42 3HB ALA 42 5.993 -4.803 8.511 311 H LEU 43 H LEU 43 4.261 -2.872 5.971 312 HA LEU 43 HA LEU 43 1.669 -3.805 6.990 313 1HB LEU 43 1HB LEU 43 1.619 -1.553 5.940 314 2HB LEU 43 2HB LEU 43 2.220 -2.260 4.451 315 HG LEU 43 HG LEU 43 0.173 -3.635 4.297 316 1HD1 LEU 43 1HD1 LEU 43 -1.722 -3.149 5.747 317 2HD1 LEU 43 2HD1 LEU 43 -0.735 -2.028 6.681 318 3HD1 LEU 43 3HD1 LEU 43 -0.353 -3.749 6.682 319 1HD2 LEU 43 1HD2 LEU 43 -0.313 -0.671 4.570 320 2HD2 LEU 43 2HD2 LEU 43 -1.333 -1.812 3.693 321 3HD2 LEU 43 3HD2 LEU 43 0.311 -1.494 3.141 322 H LYS 44 H LYS 44 2.095 -5.971 6.877 323 HA LYS 44 HA LYS 44 2.660 -7.016 4.189 324 1HB LYS 44 1HB LYS 44 3.434 -9.100 5.493 325 2HB LYS 44 2HB LYS 44 4.493 -7.703 5.439 326 1HG LYS 44 1HG LYS 44 3.398 -7.071 7.689 327 2HG LYS 44 2HG LYS 44 2.873 -8.756 7.719 328 1HD LYS 44 1HD LYS 44 5.728 -7.832 7.395 329 2HD LYS 44 2HD LYS 44 5.012 -8.395 8.906 330 1HE LYS 44 1HE LYS 44 4.790 -10.586 8.115 331 2HE LYS 44 2HE LYS 44 4.988 -10.094 6.433 332 1HZ LYS 44 1HZ LYS 44 6.938 -11.214 7.722 333 2HZ LYS 44 2HZ LYS 44 7.207 -9.642 8.309 334 3HZ LYS 44 3HZ LYS 44 7.241 -9.946 6.636 335 H GLY 45 H GLY 45 0.950 -7.767 3.262 336 1HA GLY 45 1HA GLY 45 -0.786 -9.700 4.180 337 2HA GLY 45 2HA GLY 45 -1.504 -8.157 4.633 338 H ARG 46 H ARG 46 -3.249 -8.742 3.173 339 HA ARG 46 HA ARG 46 -2.529 -8.713 0.328 340 1HB ARG 46 1HB ARG 46 -3.950 -10.582 1.014 341 2HB ARG 46 2HB ARG 46 -5.132 -9.463 1.680 342 1HG ARG 46 1HG ARG 46 -5.583 -8.582 -0.535 343 2HG ARG 46 2HG ARG 46 -4.352 -9.640 -1.222 344 1HD ARG 46 1HD ARG 46 -5.619 -11.587 -0.670 345 2HD ARG 46 2HD ARG 46 -6.770 -10.636 0.270 346 HE ARG 46 HE ARG 46 -7.229 -9.509 -1.993 347 1HH1 ARG 46 1HH1 ARG 46 -6.401 -12.901 -1.580 348 2HH1 ARG 46 2HH1 ARG 46 -7.246 -13.406 -3.015 349 1HH2 ARG 46 1HH2 ARG 46 -8.330 -10.171 -3.861 350 2HH2 ARG 46 2HH2 ARG 46 -8.348 -11.851 -4.318 351 H HIS 47 H HIS 47 -2.238 -6.591 -0.132 352 HA HIS 47 HA HIS 47 -4.602 -4.880 0.076 353 1HB HIS 47 1HB HIS 47 -1.892 -4.259 1.209 354 2HB HIS 47 2HB HIS 47 -2.942 -2.963 0.656 355 HD1 HIS 47 HD1 HIS 47 -5.380 -2.924 1.857 356 HD2 HIS 47 HD2 HIS 47 -2.362 -5.051 3.776 357 HE1 HIS 47 HE1 HIS 47 -6.144 -3.185 4.240 358 HE2 HIS 47 HE2 HIS 47 -4.230 -4.321 5.424 359 H ASP 48 H ASP 48 -4.528 -3.025 -1.333 360 HA ASP 48 HA ASP 48 -3.056 -3.578 -3.787 361 1HB ASP 48 1HB ASP 48 -4.473 -1.899 -4.827 362 2HB ASP 48 2HB ASP 48 -5.474 -3.023 -3.914 363 H LEU 49 H LEU 49 -2.245 -1.482 -4.942 364 HA LEU 49 HA LEU 49 0.041 -0.763 -3.507 365 1HB LEU 49 1HB LEU 49 -0.121 -0.849 -5.970 366 2HB LEU 49 2HB LEU 49 -1.129 0.584 -5.941 367 HG LEU 49 HG LEU 49 0.761 1.860 -4.967 368 1HD1 LEU 49 1HD1 LEU 49 3.004 0.883 -5.016 369 2HD1 LEU 49 2HD1 LEU 49 2.313 -0.676 -5.467 370 3HD1 LEU 49 3HD1 LEU 49 1.944 0.030 -3.893 371 1HD2 LEU 49 1HD2 LEU 49 2.091 1.955 -7.023 372 2HD2 LEU 49 2HD2 LEU 49 0.361 1.903 -7.362 373 3HD2 LEU 49 3HD2 LEU 49 1.345 0.453 -7.570 374 H GLN 50 H GLN 50 -2.717 1.312 -4.452 375 HA GLN 50 HA GLN 50 -1.698 3.638 -3.267 376 1HB GLN 50 1HB GLN 50 -3.455 3.650 -4.986 377 2HB GLN 50 2HB GLN 50 -4.583 2.953 -3.828 378 1HG GLN 50 1HG GLN 50 -4.429 4.927 -2.441 379 2HG GLN 50 2HG GLN 50 -3.226 5.621 -3.525 380 1HE2 GLN 50 1HE2 GLN 50 -5.826 6.638 -2.716 381 2HE2 GLN 50 2HE2 GLN 50 -6.720 6.889 -4.174 382 H SER 51 H SER 51 -4.007 1.250 -1.981 383 HA SER 51 HA SER 51 -4.543 2.605 0.424 384 1HB SER 51 1HB SER 51 -4.566 -0.377 -0.097 385 2HB SER 51 2HB SER 51 -5.334 0.433 1.271 386 HG SER 51 HG SER 51 -6.223 0.108 -1.268 387 H SER 52 H SER 52 -2.028 0.263 -0.413 388 HA SER 52 HA SER 52 -0.907 0.013 2.149 389 1HB SER 52 1HB SER 52 0.484 -0.204 -0.528 390 2HB SER 52 2HB SER 52 1.063 -0.862 1.004 391 HG SER 52 HG SER 52 -1.044 -1.715 -0.634 392 H LEU 53 H LEU 53 -0.291 2.288 -0.480 393 HA LEU 53 HA LEU 53 1.872 3.654 0.675 394 1HB LEU 53 1HB LEU 53 -0.269 4.692 -1.193 395 2HB LEU 53 2HB LEU 53 1.237 5.516 -0.836 396 HG LEU 53 HG LEU 53 1.039 2.814 -2.169 397 1HD1 LEU 53 1HD1 LEU 53 1.737 4.034 -4.197 398 2HD1 LEU 53 2HD1 LEU 53 1.539 5.556 -3.325 399 3HD1 LEU 53 3HD1 LEU 53 0.142 4.521 -3.621 400 1HD2 LEU 53 1HD2 LEU 53 3.412 3.150 -2.645 401 2HD2 LEU 53 2HD2 LEU 53 3.104 3.141 -0.907 402 3HD2 LEU 53 3HD2 LEU 53 3.382 4.668 -1.746 403 H ARG 54 H ARG 54 -1.620 4.103 0.958 404 HA ARG 54 HA ARG 54 -1.586 6.464 2.478 405 1HB ARG 54 1HB ARG 54 -3.581 4.221 2.256 406 2HB ARG 54 2HB ARG 54 -3.852 5.596 3.316 407 1HG ARG 54 1HG ARG 54 -3.687 7.099 1.392 408 2HG ARG 54 2HG ARG 54 -3.462 5.705 0.334 409 1HD ARG 54 1HD ARG 54 -5.647 4.897 0.801 410 2HD ARG 54 2HD ARG 54 -5.859 6.044 2.122 411 HE ARG 54 HE ARG 54 -5.495 7.667 -0.003 412 1HH1 ARG 54 1HH1 ARG 54 -7.590 4.917 0.504 413 2HH1 ARG 54 2HH1 ARG 54 -8.863 5.533 -0.499 414 1HH2 ARG 54 1HH2 ARG 54 -7.157 8.494 -1.315 415 2HH2 ARG 54 2HH2 ARG 54 -8.613 7.570 -1.543 416 H ILE 55 H ILE 55 -1.846 3.077 3.555 417 HA ILE 55 HA ILE 55 -1.992 3.669 6.296 418 HB ILE 55 HB ILE 55 -1.018 1.126 4.981 419 1HG1 ILE 55 1HG1 ILE 55 -3.763 1.918 5.981 420 2HG1 ILE 55 2HG1 ILE 55 -3.284 1.813 4.290 421 1HG2 ILE 55 1HG2 ILE 55 -1.605 0.031 7.086 422 2HG2 ILE 55 2HG2 ILE 55 -2.026 1.593 7.789 423 3HG2 ILE 55 3HG2 ILE 55 -0.356 1.253 7.331 424 1HD1 ILE 55 1HD1 ILE 55 -4.566 -0.133 4.980 425 2HD1 ILE 55 2HD1 ILE 55 -3.381 -0.481 6.239 426 3HD1 ILE 55 3HD1 ILE 55 -2.917 -0.583 4.541 427 H LEU 56 H LEU 56 0.769 3.102 4.186 428 HA LEU 56 HA LEU 56 2.664 2.929 6.328 429 1HB LEU 56 1HB LEU 56 2.824 1.989 3.917 430 2HB LEU 56 2HB LEU 56 3.330 3.604 3.472 431 HG LEU 56 HG LEU 56 4.789 2.041 5.595 432 1HD1 LEU 56 1HD1 LEU 56 4.723 0.670 3.566 433 2HD1 LEU 56 2HD1 LEU 56 6.344 1.290 3.879 434 3HD1 LEU 56 3HD1 LEU 56 5.344 2.030 2.630 435 1HD2 LEU 56 1HD2 LEU 56 5.630 4.273 3.746 436 2HD2 LEU 56 2HD2 LEU 56 6.650 3.492 4.955 437 3HD2 LEU 56 3HD2 LEU 56 5.248 4.437 5.461 438 H LEU 57 H LEU 57 1.450 5.503 4.244 439 HA LEU 57 HA LEU 57 3.366 7.363 5.478 440 1HB LEU 57 1HB LEU 57 1.770 7.630 2.936 441 2HB LEU 57 2HB LEU 57 2.849 8.851 3.576 442 HG LEU 57 HG LEU 57 3.681 6.097 2.658 443 1HD1 LEU 57 1HD1 LEU 57 4.054 8.800 1.382 444 2HD1 LEU 57 2HD1 LEU 57 2.987 7.521 0.806 445 3HD1 LEU 57 3HD1 LEU 57 4.733 7.281 0.799 446 1HD2 LEU 57 1HD2 LEU 57 5.089 6.954 4.448 447 2HD2 LEU 57 2HD2 LEU 57 5.309 8.462 3.561 448 3HD2 LEU 57 3HD2 LEU 57 5.953 6.955 2.910 449 H GLN 58 H GLN 58 0.745 6.420 6.604 450 HA GLN 58 HA GLN 58 -1.267 8.278 6.581 451 1HB GLN 58 1HB GLN 58 -0.175 6.613 8.830 452 2HB GLN 58 2HB GLN 58 -1.547 7.681 9.073 453 1HG GLN 58 1HG GLN 58 -1.449 5.495 7.012 454 2HG GLN 58 2HG GLN 58 -2.145 5.316 8.620 455 1HE2 GLN 58 1HE2 GLN 58 -4.190 4.906 7.906 456 2HE2 GLN 58 2HE2 GLN 58 -5.192 6.109 7.155 457 H GLY 59 H GLY 59 1.272 8.299 9.089 458 1HA GLY 59 1HA GLY 59 1.018 11.241 9.151 459 2HA GLY 59 2HA GLY 59 1.062 10.287 10.628 460 H THR 60 H THR 60 3.009 9.807 7.723 461 HA THR 60 HA THR 60 5.412 10.008 9.331 462 HB THR 60 HB THR 60 6.532 9.369 7.141 463 HG1 THR 60 HG1 THR 60 5.133 8.625 5.509 464 1HG2 THR 60 1HG2 THR 60 6.050 7.715 8.869 465 2HG2 THR 60 2HG2 THR 60 5.779 7.027 7.266 466 3HG2 THR 60 3HG2 THR 60 4.407 7.533 8.255 467 H GLY 61 H GLY 61 3.546 12.074 7.397 468 1HA GLY 61 1HA GLY 61 3.934 14.346 7.058 469 2HA GLY 61 2HA GLY 61 5.613 14.110 7.519 470 H LEU 62 H LEU 62 4.731 11.780 5.281 471 HA LEU 62 HA LEU 62 5.943 13.359 3.115 472 1HB LEU 62 1HB LEU 62 5.921 10.362 3.507 473 2HB LEU 62 2HB LEU 62 6.720 11.223 2.205 474 HG LEU 62 HG LEU 62 7.453 11.425 5.127 475 1HD1 LEU 62 1HD1 LEU 62 8.001 9.241 4.225 476 2HD1 LEU 62 2HD1 LEU 62 9.470 10.189 4.461 477 3HD1 LEU 62 3HD1 LEU 62 8.798 9.993 2.841 478 1HD2 LEU 62 1HD2 LEU 62 9.421 12.631 4.309 479 2HD2 LEU 62 2HD2 LEU 62 7.930 13.478 3.901 480 3HD2 LEU 62 3HD2 LEU 62 8.784 12.553 2.666 481 H ARG 63 H ARG 63 5.166 12.913 0.953 482 HA ARG 63 HA ARG 63 2.420 11.844 0.893 483 1HB ARG 63 1HB ARG 63 3.530 14.289 -0.474 484 2HB ARG 63 2HB ARG 63 2.046 13.508 -0.998 485 1HG ARG 63 1HG ARG 63 1.154 13.852 1.315 486 2HG ARG 63 2HG ARG 63 2.586 14.829 1.647 487 1HD ARG 63 1HD ARG 63 0.618 16.178 0.973 488 2HD ARG 63 2HD ARG 63 2.000 16.373 -0.104 489 HE ARG 63 HE ARG 63 0.170 14.342 -0.982 490 1HH1 ARG 63 1HH1 ARG 63 0.802 17.791 -0.964 491 2HH1 ARG 63 2HH1 ARG 63 -0.071 18.087 -2.441 492 1HH2 ARG 63 1HH2 ARG 63 -0.949 14.720 -2.939 493 2HH2 ARG 63 2HH2 ARG 63 -1.084 16.342 -3.559 494 H TYR 64 H TYR 64 1.800 11.402 -1.511 495 HA TYR 64 HA TYR 64 4.108 10.384 -2.990 496 1HB TYR 64 1HB TYR 64 3.007 8.191 -3.318 497 2HB TYR 64 2HB TYR 64 3.401 8.498 -1.631 498 HD1 TYR 64 HD1 TYR 64 1.621 8.921 0.004 499 HD2 TYR 64 HD2 TYR 64 0.708 8.028 -4.054 500 HE1 TYR 64 HE1 TYR 64 -0.711 8.453 0.632 501 HE2 TYR 64 HE2 TYR 64 -1.619 7.555 -3.436 502 HH TYR 64 HH TYR 64 -2.896 6.905 -1.444 503 H GLN 65 H GLN 65 3.981 10.821 -5.064 504 HA GLN 65 HA GLN 65 1.363 11.378 -6.268 505 1HB GLN 65 1HB GLN 65 4.111 11.691 -7.501 506 2HB GLN 65 2HB GLN 65 2.593 12.323 -8.126 507 1HG GLN 65 1HG GLN 65 2.412 13.785 -6.166 508 2HG GLN 65 2HG GLN 65 3.958 13.171 -5.582 509 1HE2 GLN 65 1HE2 GLN 65 4.984 15.123 -5.644 510 2HE2 GLN 65 2HE2 GLN 65 5.389 15.930 -7.123 511 H ILE 66 H ILE 66 0.364 9.689 -7.133 512 HA ILE 66 HA ILE 66 1.984 7.409 -8.008 513 HB ILE 66 HB ILE 66 0.447 6.780 -6.284 514 1HG1 ILE 66 1HG1 ILE 66 -0.641 5.860 -8.952 515 2HG1 ILE 66 2HG1 ILE 66 0.766 5.184 -8.141 516 1HG2 ILE 66 1HG2 ILE 66 -1.986 7.050 -6.496 517 2HG2 ILE 66 2HG2 ILE 66 -1.742 7.970 -7.982 518 3HG2 ILE 66 3HG2 ILE 66 -1.142 8.598 -6.446 519 1HD1 ILE 66 1HD1 ILE 66 -0.664 4.469 -6.286 520 2HD1 ILE 66 2HD1 ILE 66 -1.172 3.773 -7.825 521 3HD1 ILE 66 3HD1 ILE 66 -2.068 5.123 -7.129 522 H ASP 67 H ASP 67 2.223 7.075 -10.078 523 HA ASP 67 HA ASP 67 0.093 7.891 -11.932 524 1HB ASP 67 1HB ASP 67 3.065 8.359 -12.185 525 2HB ASP 67 2HB ASP 67 1.998 8.372 -13.585 526 H GLY 68 H GLY 68 -0.718 5.885 -12.229 527 1HA GLY 68 1HA GLY 68 -0.904 3.787 -13.148 528 2HA GLY 68 2HA GLY 68 0.579 4.127 -14.025 529 H ASN 69 H ASN 69 2.477 3.258 -13.340 530 HA ASN 69 HA ASN 69 2.325 1.539 -10.944 531 1HB ASN 69 1HB ASN 69 3.559 -0.173 -11.968 532 2HB ASN 69 2HB ASN 69 2.443 0.343 -13.222 533 1HD2 ASN 69 1HD2 ASN 69 3.759 2.622 -14.172 534 2HD2 ASN 69 2HD2 ASN 69 5.263 2.143 -14.891 535 H THR 70 H THR 70 3.444 4.331 -11.826 536 HA THR 70 HA THR 70 6.042 3.998 -10.475 537 HB THR 70 HB THR 70 5.247 6.186 -12.414 538 HG1 THR 70 HG1 THR 70 5.908 3.704 -12.940 539 1HG2 THR 70 1HG2 THR 70 7.936 5.487 -11.222 540 2HG2 THR 70 2HG2 THR 70 6.941 6.865 -10.755 541 3HG2 THR 70 3HG2 THR 70 7.615 6.775 -12.382 542 H VAL 71 H VAL 71 6.327 5.090 -8.609 543 HA VAL 71 HA VAL 71 4.298 7.090 -7.855 544 HB VAL 71 HB VAL 71 5.447 4.994 -6.001 545 1HG1 VAL 71 1HG1 VAL 71 4.905 7.063 -4.865 546 2HG1 VAL 71 2HG1 VAL 71 3.745 5.808 -4.427 547 3HG1 VAL 71 3HG1 VAL 71 3.296 7.061 -5.585 548 1HG2 VAL 71 1HG2 VAL 71 3.203 4.003 -5.994 549 2HG2 VAL 71 2HG2 VAL 71 3.934 3.959 -7.599 550 3HG2 VAL 71 3HG2 VAL 71 2.695 5.159 -7.227 551 H THR 72 H THR 72 5.098 8.913 -6.995 552 HA THR 72 HA THR 72 7.987 8.976 -6.396 553 HB THR 72 HB THR 72 6.270 11.326 -7.220 554 HG1 THR 72 HG1 THR 72 7.051 9.294 -8.711 555 1HG2 THR 72 1HG2 THR 72 8.442 12.372 -7.714 556 2HG2 THR 72 2HG2 THR 72 9.266 10.924 -7.132 557 3HG2 THR 72 3HG2 THR 72 8.323 11.910 -6.014 558 H VAL 73 H VAL 73 8.402 9.124 -4.290 559 HA VAL 73 HA VAL 73 6.382 10.018 -2.428 560 HB VAL 73 HB VAL 73 9.251 9.209 -1.898 561 1HG1 VAL 73 1HG1 VAL 73 8.513 8.890 0.414 562 2HG1 VAL 73 2HG1 VAL 73 6.911 9.492 -0.012 563 3HG1 VAL 73 3HG1 VAL 73 8.309 10.563 -0.102 564 1HG2 VAL 73 1HG2 VAL 73 6.710 7.587 -1.719 565 2HG2 VAL 73 2HG2 VAL 73 8.313 7.046 -1.215 566 3HG2 VAL 73 3HG2 VAL 73 7.990 7.390 -2.916 567 H THR 74 H THR 74 6.095 12.066 -1.924 568 HA THR 74 HA THR 74 8.260 13.973 -2.485 569 HB THR 74 HB THR 74 5.323 14.583 -2.099 570 HG1 THR 74 HG1 THR 74 6.463 13.297 -4.113 571 1HG2 THR 74 1HG2 THR 74 7.591 16.156 -3.328 572 2HG2 THR 74 2HG2 THR 74 6.785 16.504 -1.798 573 3HG2 THR 74 3HG2 THR 74 5.899 16.655 -3.316 574 H ALA 75 H ALA 75 9.094 15.194 -0.873 575 HA ALA 75 HA ALA 75 8.261 14.559 1.829 576 1HB ALA 75 1HB ALA 75 10.655 16.134 0.887 577 2HB ALA 75 2HB ALA 75 10.651 14.402 1.216 578 3HB ALA 75 3HB ALA 75 10.360 15.548 2.524 579 H SER 76 H SER 76 7.832 16.205 3.388 580 HA SER 76 HA SER 76 6.881 18.702 2.156 581 1HB SER 76 1HB SER 76 5.155 17.182 3.232 582 2HB SER 76 2HB SER 76 5.933 17.527 4.778 583 HG SER 76 HG SER 76 4.945 19.531 3.021 584 H ALA 77 H ALA 77 8.109 20.394 2.571 585 HA ALA 77 HA ALA 77 9.957 20.350 4.818 586 1HB ALA 77 1HB ALA 77 10.785 21.058 2.629 587 2HB ALA 77 2HB ALA 77 10.918 22.358 3.814 588 3HB ALA 77 3HB ALA 77 9.623 22.384 2.617 589 H ALA 78 H ALA 78 7.911 22.936 3.490 590 HA ALA 78 HA ALA 78 6.244 23.313 5.691 591 1HB ALA 78 1HB ALA 78 7.185 25.337 6.711 592 2HB ALA 78 2HB ALA 78 8.621 25.181 5.697 593 3HB ALA 78 3HB ALA 78 8.264 23.955 6.915 594 H ALA 79 H ALA 79 8.145 25.692 3.869 595 HA ALA 79 HA ALA 79 5.732 26.343 2.316 596 1HB ALA 79 1HB ALA 79 6.260 28.725 2.503 597 2HB ALA 79 2HB ALA 79 7.613 28.342 3.567 598 3HB ALA 79 3HB ALA 79 5.962 28.008 4.088 599 H LYS 80 H LYS 80 7.558 24.659 1.325 600 HA LYS 80 HA LYS 80 9.103 26.298 -0.573 601 1HB LYS 80 1HB LYS 80 9.736 23.492 0.372 602 2HB LYS 80 2HB LYS 80 10.669 24.417 -0.791 603 1HG LYS 80 1HG LYS 80 10.280 25.151 2.102 604 2HG LYS 80 2HG LYS 80 11.703 24.359 1.426 605 1HD LYS 80 1HD LYS 80 12.061 26.320 -0.033 606 2HD LYS 80 2HD LYS 80 10.684 27.117 0.735 607 1HE LYS 80 1HE LYS 80 12.694 27.923 1.767 608 2HE LYS 80 2HE LYS 80 11.853 26.889 2.921 609 1HZ LYS 80 1HZ LYS 80 14.231 26.187 1.287 610 2HZ LYS 80 2HZ LYS 80 13.367 25.066 2.218 611 3HZ LYS 80 3HZ LYS 80 14.162 26.356 2.972 612 H ASP 81 H ASP 81 6.931 26.273 -1.697 613 HA ASP 81 HA ASP 81 6.232 23.726 -2.913 614 1HB ASP 81 1HB ASP 81 4.479 25.373 -2.169 615 2HB ASP 81 2HB ASP 81 5.019 26.442 -3.460 616 H GLY 82 H GLY 82 7.629 23.097 -4.382 617 1HA GLY 82 1HA GLY 82 7.821 24.065 -6.926 618 2HA GLY 82 2HA GLY 82 9.104 24.892 -6.047 Start of MODEL 4 1 1H SER 1 1H SER 1 -8.895 -3.105 -9.081 2 2H SER 1 2H SER 1 -7.406 -3.669 -8.501 3 3H SER 1 3H SER 1 -8.847 -4.379 -7.961 4 HA SER 1 HA SER 1 -9.317 -5.223 -10.140 5 1HB SER 1 1HB SER 1 -6.649 -3.984 -10.868 6 2HB SER 1 2HB SER 1 -7.622 -5.013 -11.923 7 HG SER 1 HG SER 1 -9.275 -3.454 -11.827 8 H GLN 2 H GLN 2 -6.000 -5.041 -8.860 9 HA GLN 2 HA GLN 2 -6.166 -7.906 -8.264 10 1HB GLN 2 1HB GLN 2 -3.855 -6.520 -9.634 11 2HB GLN 2 2HB GLN 2 -3.761 -8.132 -8.937 12 1HG GLN 2 1HG GLN 2 -5.490 -8.899 -10.483 13 2HG GLN 2 2HG GLN 2 -5.572 -7.284 -11.185 14 1HE2 GLN 2 1HE2 GLN 2 -2.677 -6.896 -10.953 15 2HE2 GLN 2 2HE2 GLN 2 -1.974 -7.839 -12.219 16 H GLU 3 H GLU 3 -5.480 -8.397 -6.276 17 HA GLU 3 HA GLU 3 -4.251 -6.240 -4.699 18 1HB GLU 3 1HB GLU 3 -5.615 -8.782 -3.787 19 2HB GLU 3 2HB GLU 3 -4.942 -7.551 -2.726 20 1HG GLU 3 1HG GLU 3 -6.555 -5.927 -3.659 21 2HG GLU 3 2HG GLU 3 -7.267 -7.231 -4.611 22 H TRP 4 H TRP 4 -2.593 -6.878 -3.154 23 HA TRP 4 HA TRP 4 -1.029 -9.205 -4.044 24 1HB TRP 4 1HB TRP 4 -0.044 -6.424 -3.387 25 2HB TRP 4 2HB TRP 4 1.019 -7.825 -3.445 26 HD1 TRP 4 HD1 TRP 4 1.470 -8.926 -5.856 27 HE1 TRP 4 HE1 TRP 4 1.315 -7.941 -8.227 28 HE3 TRP 4 HE3 TRP 4 -1.340 -4.776 -4.828 29 HZ2 TRP 4 HZ2 TRP 4 0.157 -5.698 -9.495 30 HZ3 TRP 4 HZ3 TRP 4 -1.924 -3.261 -6.677 31 HH2 TRP 4 HH2 TRP 4 -1.188 -3.715 -8.962 32 H THR 5 H THR 5 0.058 -10.330 -2.437 33 HA THR 5 HA THR 5 -0.683 -9.628 0.312 34 HB THR 5 HB THR 5 0.642 -12.145 -0.744 35 HG1 THR 5 HG1 THR 5 -1.444 -12.309 -1.391 36 1HG2 THR 5 1HG2 THR 5 -0.491 -11.504 1.984 37 2HG2 THR 5 2HG2 THR 5 1.218 -11.686 1.591 38 3HG2 THR 5 3HG2 THR 5 0.136 -13.073 1.473 39 H LEU 6 H LEU 6 0.661 -8.095 0.987 40 HA LEU 6 HA LEU 6 3.384 -8.006 -0.023 41 1HB LEU 6 1HB LEU 6 1.859 -6.052 1.702 42 2HB LEU 6 2HB LEU 6 3.434 -5.769 0.982 43 HG LEU 6 HG LEU 6 0.883 -6.227 -0.570 44 1HD1 LEU 6 1HD1 LEU 6 1.048 -3.847 -1.124 45 2HD1 LEU 6 2HD1 LEU 6 2.420 -3.692 -0.031 46 3HD1 LEU 6 3HD1 LEU 6 0.829 -4.101 0.608 47 1HD2 LEU 6 1HD2 LEU 6 2.890 -6.969 -1.759 48 2HD2 LEU 6 2HD2 LEU 6 3.631 -5.392 -1.491 49 3HD2 LEU 6 3HD2 LEU 6 2.195 -5.530 -2.503 50 H ASP 7 H ASP 7 5.188 -7.694 1.303 51 HA ASP 7 HA ASP 7 4.897 -8.275 4.165 52 1HB ASP 7 1HB ASP 7 5.600 -10.363 3.035 53 2HB ASP 7 2HB ASP 7 6.969 -9.514 2.329 54 H ILE 8 H ILE 8 5.374 -6.290 4.889 55 HA ILE 8 HA ILE 8 7.572 -4.827 3.613 56 HB ILE 8 HB ILE 8 5.212 -3.780 5.187 57 1HG1 ILE 8 1HG1 ILE 8 4.624 -4.556 2.940 58 2HG1 ILE 8 2HG1 ILE 8 4.522 -2.802 3.033 59 1HG2 ILE 8 1HG2 ILE 8 7.151 -2.388 5.592 60 2HG2 ILE 8 2HG2 ILE 8 6.019 -1.541 4.536 61 3HG2 ILE 8 3HG2 ILE 8 7.471 -2.283 3.861 62 1HD1 ILE 8 1HD1 ILE 8 5.518 -3.531 0.942 63 2HD1 ILE 8 2HD1 ILE 8 6.790 -4.373 1.828 64 3HD1 ILE 8 3HD1 ILE 8 6.674 -2.615 1.907 65 HA PRO 9 HA PRO 9 9.981 -5.464 7.322 66 1HB PRO 9 1HB PRO 9 11.474 -3.209 6.084 67 2HB PRO 9 2HB PRO 9 12.064 -4.775 6.647 68 1HG PRO 9 1HG PRO 9 11.817 -4.274 4.047 69 2HG PRO 9 2HG PRO 9 11.407 -5.867 4.710 70 1HD PRO 9 1HD PRO 9 9.597 -3.645 3.859 71 2HD PRO 9 2HD PRO 9 9.401 -5.399 3.662 72 H ALA 10 H ALA 10 10.625 -4.205 9.157 73 HA ALA 10 HA ALA 10 9.068 -1.716 9.475 74 1HB ALA 10 1HB ALA 10 8.108 -3.564 10.766 75 2HB ALA 10 2HB ALA 10 8.756 -2.310 11.825 76 3HB ALA 10 3HB ALA 10 9.655 -3.806 11.574 77 H GLN 11 H GLN 11 11.833 -2.162 8.624 78 HA GLN 11 HA GLN 11 13.267 -0.832 10.817 79 1HB GLN 11 1HB GLN 11 14.422 -2.295 8.429 80 2HB GLN 11 2HB GLN 11 15.337 -1.603 9.761 81 1HG GLN 11 1HG GLN 11 15.289 -3.782 10.403 82 2HG GLN 11 2HG GLN 11 13.828 -3.198 11.197 83 1HE2 GLN 11 1HE2 GLN 11 14.218 -3.824 7.761 84 2HE2 GLN 11 2HE2 GLN 11 13.087 -5.138 7.691 85 H SER 12 H SER 12 15.355 -0.130 8.743 86 HA SER 12 HA SER 12 14.678 2.492 8.234 87 1HB SER 12 1HB SER 12 16.469 0.791 6.484 88 2HB SER 12 2HB SER 12 16.564 2.532 6.739 89 HG SER 12 HG SER 12 17.789 0.645 8.099 90 H MET 13 H MET 13 13.376 3.469 6.905 91 HA MET 13 HA MET 13 11.428 2.333 5.359 92 1HB MET 13 1HB MET 13 11.543 4.702 6.130 93 2HB MET 13 2HB MET 13 12.709 5.023 4.855 94 1HG MET 13 1HG MET 13 10.618 5.779 4.076 95 2HG MET 13 2HG MET 13 10.970 4.284 3.211 96 1HE MET 13 1HE MET 13 9.700 4.795 6.909 97 2HE MET 13 2HE MET 13 7.958 4.649 6.685 98 3HE MET 13 3HE MET 13 8.826 6.014 5.983 99 H ASN 14 H ASN 14 14.683 3.170 4.402 100 HA ASN 14 HA ASN 14 14.465 3.058 1.630 101 1HB ASN 14 1HB ASN 14 16.754 2.401 3.475 102 2HB ASN 14 2HB ASN 14 16.914 2.362 1.721 103 1HD2 ASN 14 1HD2 ASN 14 16.862 4.270 0.569 104 2HD2 ASN 14 2HD2 ASN 14 17.052 5.810 1.326 105 H SER 15 H SER 15 14.656 0.442 3.969 106 HA SER 15 HA SER 15 15.218 -1.565 1.978 107 1HB SER 15 1HB SER 15 14.224 -2.021 4.802 108 2HB SER 15 2HB SER 15 15.154 -3.122 3.785 109 HG SER 15 HG SER 15 16.881 -1.530 3.884 110 H ALA 16 H ALA 16 12.462 -0.512 3.920 111 HA ALA 16 HA ALA 16 10.676 -2.523 3.107 112 1HB ALA 16 1HB ALA 16 10.052 0.240 4.127 113 2HB ALA 16 2HB ALA 16 10.389 -1.171 5.130 114 3HB ALA 16 3HB ALA 16 8.954 -1.138 4.102 115 H LEU 17 H LEU 17 11.217 0.770 1.876 116 HA LEU 17 HA LEU 17 9.124 0.693 -0.023 117 1HB LEU 17 1HB LEU 17 11.652 2.332 0.064 118 2HB LEU 17 2HB LEU 17 10.386 2.561 -1.127 119 HG LEU 17 HG LEU 17 10.099 2.927 1.856 120 1HD1 LEU 17 1HD1 LEU 17 10.112 4.910 -0.415 121 2HD1 LEU 17 2HD1 LEU 17 11.371 4.708 0.802 122 3HD1 LEU 17 3HD1 LEU 17 9.774 5.287 1.275 123 1HD2 LEU 17 1HD2 LEU 17 7.857 3.775 1.312 124 2HD2 LEU 17 2HD2 LEU 17 8.044 2.070 0.900 125 3HD2 LEU 17 3HD2 LEU 17 8.095 3.295 -0.367 126 H GLN 18 H GLN 18 12.584 -0.060 -0.274 127 HA GLN 18 HA GLN 18 12.593 -0.648 -3.016 128 1HB GLN 18 1HB GLN 18 14.637 -0.351 -1.624 129 2HB GLN 18 2HB GLN 18 14.320 -1.913 -0.881 130 1HG GLN 18 1HG GLN 18 14.531 -2.986 -3.076 131 2HG GLN 18 2HG GLN 18 14.892 -1.417 -3.795 132 1HE2 GLN 18 1HE2 GLN 18 16.030 -2.438 -0.653 133 2HE2 GLN 18 2HE2 GLN 18 17.706 -2.537 -1.078 134 H ALA 19 H ALA 19 11.821 -2.612 -0.202 135 HA ALA 19 HA ALA 19 11.604 -5.096 -1.526 136 1HB ALA 19 1HB ALA 19 11.760 -4.932 0.903 137 2HB ALA 19 2HB ALA 19 10.305 -5.811 0.430 138 3HB ALA 19 3HB ALA 19 10.187 -4.132 0.961 139 H LEU 20 H LEU 20 9.298 -2.478 -0.958 140 HA LEU 20 HA LEU 20 6.991 -3.898 -1.830 141 1HB LEU 20 1HB LEU 20 6.825 -1.934 -0.390 142 2HB LEU 20 2HB LEU 20 7.550 -0.933 -1.632 143 HG LEU 20 HG LEU 20 5.580 -1.367 -3.082 144 1HD1 LEU 20 1HD1 LEU 20 4.457 -2.695 -0.622 145 2HD1 LEU 20 2HD1 LEU 20 4.900 -3.504 -2.127 146 3HD1 LEU 20 3HD1 LEU 20 3.573 -2.340 -2.107 147 1HD2 LEU 20 1HD2 LEU 20 5.677 0.658 -1.763 148 2HD2 LEU 20 2HD2 LEU 20 5.006 -0.186 -0.369 149 3HD2 LEU 20 3HD2 LEU 20 4.020 0.054 -1.812 150 H ALA 21 H ALA 21 9.460 -1.988 -3.356 151 HA ALA 21 HA ALA 21 8.171 -1.461 -5.823 152 1HB ALA 21 1HB ALA 21 10.157 -0.235 -5.085 153 2HB ALA 21 2HB ALA 21 10.406 -0.968 -6.670 154 3HB ALA 21 3HB ALA 21 11.121 -1.703 -5.235 155 H LYS 22 H LYS 22 10.366 -4.016 -4.746 156 HA LYS 22 HA LYS 22 10.496 -5.451 -7.162 157 1HB LYS 22 1HB LYS 22 10.646 -6.647 -4.393 158 2HB LYS 22 2HB LYS 22 11.367 -7.274 -5.867 159 1HG LYS 22 1HG LYS 22 12.150 -4.702 -4.516 160 2HG LYS 22 2HG LYS 22 13.002 -6.238 -4.359 161 1HD LYS 22 1HD LYS 22 13.445 -6.232 -6.771 162 2HD LYS 22 2HD LYS 22 12.603 -4.687 -6.917 163 1HE LYS 22 1HE LYS 22 14.230 -3.647 -5.432 164 2HE LYS 22 2HE LYS 22 15.057 -5.192 -5.237 165 1HZ LYS 22 1HZ LYS 22 14.774 -3.694 -7.788 166 2HZ LYS 22 2HZ LYS 22 15.579 -5.173 -7.592 167 3HZ LYS 22 3HZ LYS 22 16.178 -3.777 -6.833 168 H GLN 23 H GLN 23 8.378 -5.790 -4.343 169 HA GLN 23 HA GLN 23 7.124 -8.182 -5.085 170 1HB GLN 23 1HB GLN 23 6.039 -5.941 -3.367 171 2HB GLN 23 2HB GLN 23 5.423 -7.589 -3.411 172 1HG GLN 23 1HG GLN 23 7.420 -8.450 -2.457 173 2HG GLN 23 2HG GLN 23 8.246 -6.905 -2.649 174 1HE2 GLN 23 1HE2 GLN 23 7.939 -8.433 -0.249 175 2HE2 GLN 23 2HE2 GLN 23 7.098 -7.428 0.879 176 H THR 24 H THR 24 6.393 -4.866 -6.006 177 HA THR 24 HA THR 24 3.986 -5.855 -7.388 178 HB THR 24 HB THR 24 3.333 -3.415 -7.470 179 HG1 THR 24 HG1 THR 24 5.306 -3.113 -5.431 180 1HG2 THR 24 1HG2 THR 24 3.676 -4.700 -4.756 181 2HG2 THR 24 2HG2 THR 24 2.323 -4.943 -5.861 182 3HG2 THR 24 3HG2 THR 24 2.583 -3.365 -5.118 183 H ASP 25 H ASP 25 7.107 -5.089 -7.939 184 HA ASP 25 HA ASP 25 8.407 -4.590 -9.718 185 1HB ASP 25 1HB ASP 25 6.873 -6.457 -10.653 186 2HB ASP 25 2HB ASP 25 6.080 -5.158 -11.538 187 H THR 26 H THR 26 7.247 -2.433 -8.498 188 HA THR 26 HA THR 26 6.360 -0.681 -10.686 189 HB THR 26 HB THR 26 5.648 0.836 -8.766 190 HG1 THR 26 HG1 THR 26 5.463 -1.363 -7.083 191 1HG2 THR 26 1HG2 THR 26 4.054 -0.503 -10.071 192 2HG2 THR 26 2HG2 THR 26 3.568 -0.394 -8.377 193 3HG2 THR 26 3HG2 THR 26 4.319 -1.869 -8.987 194 H GLN 27 H GLN 27 6.987 1.692 -10.233 195 HA GLN 27 HA GLN 27 9.827 1.797 -9.476 196 1HB GLN 27 1HB GLN 27 8.203 3.451 -11.400 197 2HB GLN 27 2HB GLN 27 9.745 4.016 -10.775 198 1HG GLN 27 1HG GLN 27 9.338 1.442 -12.278 199 2HG GLN 27 2HG GLN 27 9.921 2.947 -12.986 200 1HE2 GLN 27 1HE2 GLN 27 11.242 0.366 -12.840 201 2HE2 GLN 27 2HE2 GLN 27 12.725 0.622 -11.980 202 H LEU 28 H LEU 28 10.146 2.567 -7.516 203 HA LEU 28 HA LEU 28 8.246 4.540 -6.455 204 1HB LEU 28 1HB LEU 28 10.057 2.642 -4.959 205 2HB LEU 28 2HB LEU 28 9.001 3.825 -4.213 206 HG LEU 28 HG LEU 28 8.150 1.399 -5.796 207 1HD1 LEU 28 1HD1 LEU 28 8.951 0.924 -3.545 208 2HD1 LEU 28 2HD1 LEU 28 7.212 0.659 -3.678 209 3HD1 LEU 28 3HD1 LEU 28 7.827 2.114 -2.888 210 1HD2 LEU 28 1HD2 LEU 28 6.635 3.260 -6.221 211 2HD2 LEU 28 2HD2 LEU 28 6.465 3.529 -4.486 212 3HD2 LEU 28 3HD2 LEU 28 5.865 2.038 -5.211 213 H LEU 29 H LEU 29 9.001 6.528 -6.500 214 HA LEU 29 HA LEU 29 11.905 6.938 -6.402 215 1HB LEU 29 1HB LEU 29 9.679 8.532 -7.643 216 2HB LEU 29 2HB LEU 29 11.231 9.264 -7.300 217 HG LEU 29 HG LEU 29 11.213 8.645 -9.600 218 1HD1 LEU 29 1HD1 LEU 29 13.080 7.061 -9.720 219 2HD1 LEU 29 2HD1 LEU 29 12.828 6.649 -8.023 220 3HD1 LEU 29 3HD1 LEU 29 13.319 8.284 -8.471 221 1HD2 LEU 29 1HD2 LEU 29 9.417 7.028 -9.594 222 2HD2 LEU 29 2HD2 LEU 29 10.412 5.883 -8.698 223 3HD2 LEU 29 3HD2 LEU 29 10.849 6.327 -10.349 224 H TYR 30 H TYR 30 12.695 7.690 -4.600 225 HA TYR 30 HA TYR 30 11.219 9.624 -3.017 226 1HB TYR 30 1HB TYR 30 11.447 8.353 -0.938 227 2HB TYR 30 2HB TYR 30 10.492 7.444 -2.104 228 HD1 TYR 30 HD1 TYR 30 11.496 5.473 -3.250 229 HD2 TYR 30 HD2 TYR 30 13.522 7.518 -0.114 230 HE1 TYR 30 HE1 TYR 30 12.997 3.548 -2.970 231 HE2 TYR 30 HE2 TYR 30 15.028 5.597 0.173 232 HH TYR 30 HH TYR 30 15.198 3.048 -2.097 233 H SER 31 H SER 31 12.582 10.764 -1.554 234 HA SER 31 HA SER 31 15.405 10.592 -2.280 235 1HB SER 31 1HB SER 31 14.235 12.786 -2.458 236 2HB SER 31 2HB SER 31 13.940 12.741 -0.720 237 HG SER 31 HG SER 31 15.775 13.861 -0.824 238 HA PRO 32 HA PRO 32 15.798 8.233 1.574 239 1HB PRO 32 1HB PRO 32 18.545 7.977 1.254 240 2HB PRO 32 2HB PRO 32 17.337 6.841 0.648 241 1HG PRO 32 1HG PRO 32 18.783 9.020 -0.783 242 2HG PRO 32 2HG PRO 32 18.306 7.416 -1.367 243 1HD PRO 32 1HD PRO 32 16.958 9.632 -2.067 244 2HD PRO 32 2HD PRO 32 16.135 8.081 -1.802 245 H GLU 33 H GLU 33 17.682 10.989 0.504 246 HA GLU 33 HA GLU 33 18.810 11.607 3.042 247 1HB GLU 33 1HB GLU 33 19.712 12.395 0.851 248 2HB GLU 33 2HB GLU 33 18.312 13.447 0.693 249 1HG GLU 33 1HG GLU 33 20.291 14.645 1.478 250 2HG GLU 33 2HG GLU 33 18.977 14.685 2.655 251 H ASP 34 H ASP 34 15.831 12.438 1.391 252 HA ASP 34 HA ASP 34 15.235 14.570 3.257 253 1HB ASP 34 1HB ASP 34 13.924 13.556 0.766 254 2HB ASP 34 2HB ASP 34 13.053 14.632 1.856 255 H ILE 35 H ILE 35 14.865 11.279 3.428 256 HA ILE 35 HA ILE 35 12.318 11.471 4.856 257 HB ILE 35 HB ILE 35 12.323 9.027 4.937 258 1HG1 ILE 35 1HG1 ILE 35 14.886 9.192 3.338 259 2HG1 ILE 35 2HG1 ILE 35 14.778 8.702 5.026 260 1HG2 ILE 35 1HG2 ILE 35 11.295 10.133 3.040 261 2HG2 ILE 35 2HG2 ILE 35 12.025 8.607 2.542 262 3HG2 ILE 35 3HG2 ILE 35 12.835 10.131 2.181 263 1HD1 ILE 35 1HD1 ILE 35 14.986 6.772 3.580 264 2HD1 ILE 35 2HD1 ILE 35 13.557 7.271 2.675 265 3HD1 ILE 35 3HD1 ILE 35 13.406 6.783 4.363 266 H GLY 36 H GLY 36 15.561 11.702 5.503 267 1HA GLY 36 1HA GLY 36 16.702 11.937 7.475 268 2HA GLY 36 2HA GLY 36 15.137 11.999 8.264 269 H GLY 37 H GLY 37 15.726 9.131 6.491 270 1HA GLY 37 1HA GLY 37 16.206 6.973 7.124 271 2HA GLY 37 2HA GLY 37 17.160 7.652 8.432 272 H LEU 38 H LEU 38 13.683 7.706 7.676 273 HA LEU 38 HA LEU 38 13.019 7.142 10.432 274 1HB LEU 38 1HB LEU 38 11.281 7.418 7.973 275 2HB LEU 38 2HB LEU 38 10.671 7.213 9.602 276 HG LEU 38 HG LEU 38 12.282 9.569 8.620 277 1HD1 LEU 38 1HD1 LEU 38 9.354 9.311 9.300 278 2HD1 LEU 38 2HD1 LEU 38 10.035 9.537 7.690 279 3HD1 LEU 38 3HD1 LEU 38 10.188 10.811 8.899 280 1HD2 LEU 38 1HD2 LEU 38 10.958 9.057 11.281 281 2HD2 LEU 38 2HD2 LEU 38 11.733 10.563 10.788 282 3HD2 LEU 38 3HD2 LEU 38 12.694 9.094 10.973 283 H ARG 39 H ARG 39 11.470 5.366 10.960 284 HA ARG 39 HA ARG 39 12.164 2.925 9.479 285 1HB ARG 39 1HB ARG 39 11.104 1.732 11.416 286 2HB ARG 39 2HB ARG 39 12.535 2.659 11.826 287 1HG ARG 39 1HG ARG 39 11.261 4.340 12.891 288 2HG ARG 39 2HG ARG 39 9.752 3.716 12.216 289 1HD ARG 39 1HD ARG 39 10.150 3.157 14.629 290 2HD ARG 39 2HD ARG 39 9.842 1.779 13.575 291 HE ARG 39 HE ARG 39 12.626 2.271 13.823 292 1HH1 ARG 39 1HH1 ARG 39 9.906 0.953 15.591 293 2HH1 ARG 39 2HH1 ARG 39 10.866 -0.214 16.449 294 1HH2 ARG 39 1HH2 ARG 39 13.896 0.746 14.938 295 2HH2 ARG 39 2HH2 ARG 39 13.138 -0.333 16.081 296 H SER 40 H SER 40 10.582 1.517 8.746 297 HA SER 40 HA SER 40 8.143 2.864 7.950 298 1HB SER 40 1HB SER 40 7.867 0.690 6.615 299 2HB SER 40 2HB SER 40 9.194 1.763 6.164 300 HG SER 40 HG SER 40 9.253 -0.775 7.251 301 H SER 41 H SER 41 6.086 2.052 8.245 302 HA SER 41 HA SER 41 5.686 0.488 10.653 303 1HB SER 41 1HB SER 41 4.335 2.540 10.200 304 2HB SER 41 2HB SER 41 3.650 1.746 8.784 305 HG SER 41 HG SER 41 2.529 1.698 10.998 306 H ALA 42 H ALA 42 5.452 -1.639 10.600 307 HA ALA 42 HA ALA 42 5.608 -3.147 8.255 308 1HB ALA 42 1HB ALA 42 4.630 -4.046 10.960 309 2HB ALA 42 2HB ALA 42 6.320 -3.954 10.463 310 3HB ALA 42 3HB ALA 42 5.224 -5.081 9.661 311 H LEU 43 H LEU 43 4.051 -2.820 6.758 312 HA LEU 43 HA LEU 43 1.302 -3.528 7.533 313 1HB LEU 43 1HB LEU 43 1.603 -1.193 6.695 314 2HB LEU 43 2HB LEU 43 2.182 -1.855 5.178 315 HG LEU 43 HG LEU 43 -0.031 -2.945 4.859 316 1HD1 LEU 43 1HD1 LEU 43 -1.906 -2.207 6.251 317 2HD1 LEU 43 2HD1 LEU 43 -0.779 -1.345 7.300 318 3HD1 LEU 43 3HD1 LEU 43 -0.709 -3.104 7.184 319 1HD2 LEU 43 1HD2 LEU 43 0.472 -0.796 3.816 320 2HD2 LEU 43 2HD2 LEU 43 -0.105 0.043 5.259 321 3HD2 LEU 43 3HD2 LEU 43 -1.229 -0.899 4.276 322 H LYS 44 H LYS 44 1.743 -5.748 7.257 323 HA LYS 44 HA LYS 44 2.221 -6.521 4.461 324 1HB LYS 44 1HB LYS 44 3.150 -8.663 5.394 325 2HB LYS 44 2HB LYS 44 4.114 -7.230 5.699 326 1HG LYS 44 1HG LYS 44 3.110 -7.130 7.978 327 2HG LYS 44 2HG LYS 44 2.351 -8.689 7.642 328 1HD LYS 44 1HD LYS 44 4.585 -9.641 7.195 329 2HD LYS 44 2HD LYS 44 5.305 -8.094 7.643 330 1HE LYS 44 1HE LYS 44 4.322 -8.299 9.880 331 2HE LYS 44 2HE LYS 44 3.637 -9.861 9.426 332 1HZ LYS 44 1HZ LYS 44 6.497 -9.143 9.731 333 2HZ LYS 44 2HZ LYS 44 5.992 -10.550 8.927 334 3HZ LYS 44 3HZ LYS 44 5.616 -10.333 10.567 335 H GLY 45 H GLY 45 0.590 -7.424 3.498 336 1HA GLY 45 1HA GLY 45 -1.030 -9.463 4.433 337 2HA GLY 45 2HA GLY 45 -1.855 -7.960 4.833 338 H ARG 46 H ARG 46 -3.517 -8.765 3.350 339 HA ARG 46 HA ARG 46 -2.733 -8.566 0.520 340 1HB ARG 46 1HB ARG 46 -3.821 -10.667 1.051 341 2HB ARG 46 2HB ARG 46 -5.176 -9.818 1.786 342 1HG ARG 46 1HG ARG 46 -5.749 -8.851 -0.382 343 2HG ARG 46 2HG ARG 46 -4.395 -9.709 -1.121 344 1HD ARG 46 1HD ARG 46 -5.406 -11.841 -0.523 345 2HD ARG 46 2HD ARG 46 -6.740 -10.999 0.266 346 HE ARG 46 HE ARG 46 -7.227 -10.052 -2.015 347 1HH1 ARG 46 1HH1 ARG 46 -5.612 -13.126 -1.590 348 2HH1 ARG 46 2HH1 ARG 46 -6.144 -13.771 -3.112 349 1HH2 ARG 46 1HH2 ARG 46 -7.963 -10.903 -4.013 350 2HH2 ARG 46 2HH2 ARG 46 -7.523 -12.526 -4.467 351 H HIS 47 H HIS 47 -2.962 -6.555 -0.197 352 HA HIS 47 HA HIS 47 -5.591 -5.355 -0.112 353 1HB HIS 47 1HB HIS 47 -3.252 -4.125 1.305 354 2HB HIS 47 2HB HIS 47 -4.445 -3.086 0.537 355 HD1 HIS 47 HD1 HIS 47 -7.053 -3.847 1.320 356 HD2 HIS 47 HD2 HIS 47 -3.861 -4.578 3.887 357 HE1 HIS 47 HE1 HIS 47 -8.066 -4.114 3.608 358 HE2 HIS 47 HE2 HIS 47 -6.108 -4.420 5.165 359 H ASP 48 H ASP 48 -5.543 -3.210 -1.353 360 HA ASP 48 HA ASP 48 -4.232 -3.657 -3.875 361 1HB ASP 48 1HB ASP 48 -6.504 -2.796 -3.865 362 2HB ASP 48 2HB ASP 48 -6.018 -1.419 -2.884 363 H LEU 49 H LEU 49 -2.821 -2.063 -4.913 364 HA LEU 49 HA LEU 49 -0.632 -1.450 -3.296 365 1HB LEU 49 1HB LEU 49 -0.485 -1.799 -5.715 366 2HB LEU 49 2HB LEU 49 -1.369 -0.312 -5.994 367 HG LEU 49 HG LEU 49 0.491 0.962 -4.969 368 1HD1 LEU 49 1HD1 LEU 49 1.393 -0.754 -3.514 369 2HD1 LEU 49 2HD1 LEU 49 2.641 -0.159 -4.608 370 3HD1 LEU 49 3HD1 LEU 49 1.871 -1.716 -4.912 371 1HD2 LEU 49 1HD2 LEU 49 0.386 0.700 -7.378 372 2HD2 LEU 49 2HD2 LEU 49 1.250 -0.834 -7.270 373 3HD2 LEU 49 3HD2 LEU 49 2.062 0.671 -6.834 374 H GLN 50 H GLN 50 -3.129 0.720 -4.631 375 HA GLN 50 HA GLN 50 -1.991 3.119 -3.719 376 1HB GLN 50 1HB GLN 50 -3.897 2.643 -5.437 377 2HB GLN 50 2HB GLN 50 -4.955 2.751 -4.040 378 1HG GLN 50 1HG GLN 50 -3.025 4.931 -4.766 379 2HG GLN 50 2HG GLN 50 -4.648 4.841 -5.441 380 1HE2 GLN 50 1HE2 GLN 50 -3.443 6.879 -3.757 381 2HE2 GLN 50 2HE2 GLN 50 -4.452 7.002 -2.353 382 H SER 51 H SER 51 -4.479 1.036 -2.267 383 HA SER 51 HA SER 51 -4.956 2.578 0.019 384 1HB SER 51 1HB SER 51 -5.433 0.124 0.977 385 2HB SER 51 2HB SER 51 -6.536 0.941 -0.132 386 HG SER 51 HG SER 51 -4.438 -0.702 -1.084 387 H SER 52 H SER 52 -2.518 0.102 -0.593 388 HA SER 52 HA SER 52 -1.452 -0.067 1.994 389 1HB SER 52 1HB SER 52 -0.909 -1.640 0.143 390 2HB SER 52 2HB SER 52 0.025 -0.366 -0.639 391 HG SER 52 HG SER 52 1.471 -1.542 0.522 392 H LEU 53 H LEU 53 -0.498 1.975 -0.765 393 HA LEU 53 HA LEU 53 1.554 3.400 0.496 394 1HB LEU 53 1HB LEU 53 -0.344 4.335 -1.659 395 2HB LEU 53 2HB LEU 53 1.175 5.105 -1.243 396 HG LEU 53 HG LEU 53 0.934 2.295 -2.323 397 1HD1 LEU 53 1HD1 LEU 53 1.674 4.861 -3.723 398 2HD1 LEU 53 2HD1 LEU 53 0.220 3.899 -3.998 399 3HD1 LEU 53 3HD1 LEU 53 1.805 3.244 -4.412 400 1HD2 LEU 53 1HD2 LEU 53 2.927 2.641 -0.973 401 2HD2 LEU 53 2HD2 LEU 53 3.315 4.095 -1.890 402 3HD2 LEU 53 3HD2 LEU 53 3.354 2.520 -2.680 403 H ARG 54 H ARG 54 -1.910 3.946 0.345 404 HA ARG 54 HA ARG 54 -2.063 6.481 1.484 405 1HB ARG 54 1HB ARG 54 -3.905 5.141 0.402 406 2HB ARG 54 2HB ARG 54 -4.031 4.230 1.897 407 1HG ARG 54 1HG ARG 54 -4.541 6.354 3.081 408 2HG ARG 54 2HG ARG 54 -4.565 7.165 1.513 409 1HD ARG 54 1HD ARG 54 -6.405 5.012 2.527 410 2HD ARG 54 2HD ARG 54 -6.820 6.645 2.007 411 HE ARG 54 HE ARG 54 -5.817 5.629 -0.247 412 1HH1 ARG 54 1HH1 ARG 54 -8.197 4.374 2.005 413 2HH1 ARG 54 2HH1 ARG 54 -8.936 3.328 0.830 414 1HH2 ARG 54 1HH2 ARG 54 -6.790 4.253 -1.792 415 2HH2 ARG 54 2HH2 ARG 54 -8.165 3.285 -1.333 416 H ILE 55 H ILE 55 -2.057 3.294 3.035 417 HA ILE 55 HA ILE 55 -2.431 4.363 5.674 418 HB ILE 55 HB ILE 55 -1.596 1.580 4.833 419 1HG1 ILE 55 1HG1 ILE 55 -4.336 2.645 5.551 420 2HG1 ILE 55 2HG1 ILE 55 -3.785 2.313 3.911 421 1HG2 ILE 55 1HG2 ILE 55 -2.697 2.593 7.455 422 2HG2 ILE 55 2HG2 ILE 55 -1.047 2.044 7.157 423 3HG2 ILE 55 3HG2 ILE 55 -2.386 0.902 7.052 424 1HD1 ILE 55 1HD1 ILE 55 -5.169 0.511 4.721 425 2HD1 ILE 55 2HD1 ILE 55 -4.120 0.301 6.123 426 3HD1 ILE 55 3HD1 ILE 55 -3.513 -0.053 4.504 427 H LEU 56 H LEU 56 0.308 3.131 3.811 428 HA LEU 56 HA LEU 56 2.109 3.020 6.004 429 1HB LEU 56 1HB LEU 56 2.233 1.753 3.804 430 2HB LEU 56 2HB LEU 56 2.838 3.231 3.088 431 HG LEU 56 HG LEU 56 4.238 1.970 5.436 432 1HD1 LEU 56 1HD1 LEU 56 5.692 0.811 3.838 433 2HD1 LEU 56 2HD1 LEU 56 4.647 1.332 2.517 434 3HD1 LEU 56 3HD1 LEU 56 4.028 0.231 3.746 435 1HD2 LEU 56 1HD2 LEU 56 6.188 3.104 4.477 436 2HD2 LEU 56 2HD2 LEU 56 4.892 4.246 4.836 437 3HD2 LEU 56 3HD2 LEU 56 5.180 3.734 3.174 438 H LEU 57 H LEU 57 1.489 5.450 3.494 439 HA LEU 57 HA LEU 57 3.768 7.019 4.191 440 1HB LEU 57 1HB LEU 57 1.483 7.324 2.321 441 2HB LEU 57 2HB LEU 57 2.358 8.771 2.776 442 HG LEU 57 HG LEU 57 3.178 7.861 0.664 443 1HD1 LEU 57 1HD1 LEU 57 5.189 7.531 2.882 444 2HD1 LEU 57 2HD1 LEU 57 4.728 9.058 2.131 445 3HD1 LEU 57 3HD1 LEU 57 5.546 7.817 1.179 446 1HD2 LEU 57 1HD2 LEU 57 2.692 5.516 0.961 447 2HD2 LEU 57 2HD2 LEU 57 3.860 5.407 2.279 448 3HD2 LEU 57 3HD2 LEU 57 4.413 5.724 0.633 449 H GLN 58 H GLN 58 0.275 7.405 4.821 450 HA GLN 58 HA GLN 58 0.302 9.925 5.918 451 1HB GLN 58 1HB GLN 58 -1.734 9.329 7.120 452 2HB GLN 58 2HB GLN 58 -1.763 8.693 5.484 453 1HG GLN 58 1HG GLN 58 -1.171 6.481 6.330 454 2HG GLN 58 2HG GLN 58 -1.135 7.120 7.974 455 1HE2 GLN 58 1HE2 GLN 58 -3.132 6.224 5.288 456 2HE2 GLN 58 2HE2 GLN 58 -4.640 6.228 6.146 457 H GLY 59 H GLY 59 1.401 10.795 7.492 458 1HA GLY 59 1HA GLY 59 1.628 10.829 9.961 459 2HA GLY 59 2HA GLY 59 2.055 9.127 9.847 460 H THR 60 H THR 60 3.539 10.004 7.260 461 HA THR 60 HA THR 60 6.054 10.480 8.633 462 HB THR 60 HB THR 60 7.072 10.156 6.378 463 HG1 THR 60 HG1 THR 60 4.493 9.371 5.494 464 1HG2 THR 60 1HG2 THR 60 6.578 7.771 6.210 465 2HG2 THR 60 2HG2 THR 60 5.143 7.989 7.211 466 3HG2 THR 60 3HG2 THR 60 6.744 8.253 7.900 467 H GLY 61 H GLY 61 3.676 12.431 7.310 468 1HA GLY 61 1HA GLY 61 3.673 14.716 6.998 469 2HA GLY 61 2HA GLY 61 5.400 14.730 7.324 470 H LEU 62 H LEU 62 4.808 12.445 4.995 471 HA LEU 62 HA LEU 62 5.714 14.308 2.922 472 1HB LEU 62 1HB LEU 62 5.880 11.296 3.061 473 2HB LEU 62 2HB LEU 62 6.519 12.290 1.765 474 HG LEU 62 HG LEU 62 7.462 12.392 4.635 475 1HD1 LEU 62 1HD1 LEU 62 8.052 10.275 3.585 476 2HD1 LEU 62 2HD1 LEU 62 9.480 11.289 3.798 477 3HD1 LEU 62 3HD1 LEU 62 8.734 11.136 2.205 478 1HD2 LEU 62 1HD2 LEU 62 9.267 13.769 3.757 479 2HD2 LEU 62 2HD2 LEU 62 7.702 14.511 3.420 480 3HD2 LEU 62 3HD2 LEU 62 8.574 13.670 2.139 481 H ARG 63 H ARG 63 4.984 13.794 0.684 482 HA ARG 63 HA ARG 63 2.151 12.974 0.689 483 1HB ARG 63 1HB ARG 63 3.498 14.974 -1.137 484 2HB ARG 63 2HB ARG 63 1.797 14.533 -1.162 485 1HG ARG 63 1HG ARG 63 1.523 15.473 1.075 486 2HG ARG 63 2HG ARG 63 3.229 15.923 1.092 487 1HD ARG 63 1HD ARG 63 2.825 17.302 -0.937 488 2HD ARG 63 2HD ARG 63 1.108 16.932 -0.797 489 HE ARG 63 HE ARG 63 2.088 18.022 1.626 490 1HH1 ARG 63 1HH1 ARG 63 1.147 18.912 -1.622 491 2HH1 ARG 63 2HH1 ARG 63 0.775 20.559 -1.211 492 1HH2 ARG 63 1HH2 ARG 63 1.608 20.186 2.176 493 2HH2 ARG 63 2HH2 ARG 63 1.088 21.299 0.942 494 H TYR 64 H TYR 64 1.574 11.403 -0.672 495 HA TYR 64 HA TYR 64 3.672 10.342 -2.428 496 1HB TYR 64 1HB TYR 64 2.290 8.256 -2.500 497 2HB TYR 64 2HB TYR 64 2.891 8.668 -0.901 498 HD1 TYR 64 HD1 TYR 64 1.313 9.625 0.787 499 HD2 TYR 64 HD2 TYR 64 -0.044 8.076 -2.935 500 HE1 TYR 64 HE1 TYR 64 -0.967 9.461 1.692 501 HE2 TYR 64 HE2 TYR 64 -2.327 7.910 -2.040 502 HH TYR 64 HH TYR 64 -3.281 9.407 0.848 503 H GLN 65 H GLN 65 3.597 10.860 -4.459 504 HA GLN 65 HA GLN 65 0.985 11.367 -5.723 505 1HB GLN 65 1HB GLN 65 2.678 13.206 -5.783 506 2HB GLN 65 2HB GLN 65 3.742 12.149 -6.699 507 1HG GLN 65 1HG GLN 65 2.595 13.716 -8.152 508 2HG GLN 65 2HG GLN 65 2.115 12.058 -8.509 509 1HE2 GLN 65 1HE2 GLN 65 1.138 15.090 -7.110 510 2HE2 GLN 65 2HE2 GLN 65 -0.566 14.765 -7.104 511 H ILE 66 H ILE 66 0.310 10.113 -7.399 512 HA ILE 66 HA ILE 66 2.119 7.933 -8.188 513 HB ILE 66 HB ILE 66 0.240 7.095 -6.897 514 1HG1 ILE 66 1HG1 ILE 66 -0.046 6.431 -9.835 515 2HG1 ILE 66 2HG1 ILE 66 1.122 5.711 -8.733 516 1HG2 ILE 66 1HG2 ILE 66 -1.368 8.874 -7.325 517 2HG2 ILE 66 2HG2 ILE 66 -2.066 7.294 -7.677 518 3HG2 ILE 66 3HG2 ILE 66 -1.535 8.335 -8.996 519 1HD1 ILE 66 1HD1 ILE 66 -0.749 4.224 -9.106 520 2HD1 ILE 66 2HD1 ILE 66 -1.870 5.467 -8.553 521 3HD1 ILE 66 3HD1 ILE 66 -0.714 4.761 -7.425 522 H ASP 67 H ASP 67 2.592 7.681 -10.244 523 HA ASP 67 HA ASP 67 0.939 8.982 -12.301 524 1HB ASP 67 1HB ASP 67 2.805 10.457 -12.028 525 2HB ASP 67 2HB ASP 67 3.943 9.113 -11.984 526 H GLY 68 H GLY 68 0.045 7.190 -13.161 527 1HA GLY 68 1HA GLY 68 -0.125 5.201 -14.304 528 2HA GLY 68 2HA GLY 68 1.564 5.413 -14.751 529 H ASN 69 H ASN 69 3.111 4.270 -13.723 530 HA ASN 69 HA ASN 69 2.312 2.664 -11.386 531 1HB ASN 69 1HB ASN 69 3.823 1.781 -13.828 532 2HB ASN 69 2HB ASN 69 4.118 0.997 -12.280 533 1HD2 ASN 69 1HD2 ASN 69 3.000 -0.143 -14.695 534 2HD2 ASN 69 2HD2 ASN 69 1.425 -0.725 -14.271 535 H THR 70 H THR 70 3.632 5.258 -11.851 536 HA THR 70 HA THR 70 6.210 4.744 -10.520 537 HB THR 70 HB THR 70 5.390 7.348 -11.801 538 HG1 THR 70 HG1 THR 70 5.258 5.884 -13.472 539 1HG2 THR 70 1HG2 THR 70 7.813 7.666 -12.000 540 2HG2 THR 70 2HG2 THR 70 8.081 6.091 -11.255 541 3HG2 THR 70 3HG2 THR 70 7.339 7.391 -10.323 542 H VAL 71 H VAL 71 6.444 5.478 -8.453 543 HA VAL 71 HA VAL 71 4.305 7.225 -7.412 544 HB VAL 71 HB VAL 71 5.765 5.056 -5.886 545 1HG1 VAL 71 1HG1 VAL 71 5.221 6.909 -4.435 546 2HG1 VAL 71 2HG1 VAL 71 4.137 5.560 -4.095 547 3HG1 VAL 71 3HG1 VAL 71 3.563 6.938 -5.037 548 1HG2 VAL 71 1HG2 VAL 71 2.906 5.181 -6.840 549 2HG2 VAL 71 2HG2 VAL 71 3.589 3.925 -5.806 550 3HG2 VAL 71 3HG2 VAL 71 4.168 4.118 -7.462 551 H THR 72 H THR 72 4.975 9.100 -6.588 552 HA THR 72 HA THR 72 7.867 9.401 -6.084 553 HB THR 72 HB THR 72 5.933 11.584 -6.892 554 HG1 THR 72 HG1 THR 72 6.555 9.749 -8.456 555 1HG2 THR 72 1HG2 THR 72 8.952 11.504 -6.832 556 2HG2 THR 72 2HG2 THR 72 7.926 12.345 -5.671 557 3HG2 THR 72 3HG2 THR 72 7.961 12.866 -7.357 558 H VAL 73 H VAL 73 8.332 9.577 -4.010 559 HA VAL 73 HA VAL 73 6.324 10.617 -2.143 560 HB VAL 73 HB VAL 73 8.966 9.270 -1.537 561 1HG1 VAL 73 1HG1 VAL 73 8.072 9.013 0.717 562 2HG1 VAL 73 2HG1 VAL 73 6.609 9.876 0.244 563 3HG1 VAL 73 3HG1 VAL 73 8.161 10.714 0.261 564 1HG2 VAL 73 1HG2 VAL 73 6.181 8.106 -1.540 565 2HG2 VAL 73 2HG2 VAL 73 7.647 7.277 -1.017 566 3HG2 VAL 73 3HG2 VAL 73 7.455 7.749 -2.704 567 H THR 74 H THR 74 6.408 12.771 -2.059 568 HA THR 74 HA THR 74 9.024 14.034 -1.596 569 HB THR 74 HB THR 74 8.321 14.344 -3.975 570 HG1 THR 74 HG1 THR 74 9.612 15.975 -3.385 571 1HG2 THR 74 1HG2 THR 74 6.464 15.861 -4.479 572 2HG2 THR 74 2HG2 THR 74 6.056 15.938 -2.764 573 3HG2 THR 74 3HG2 THR 74 5.900 14.415 -3.643 574 H ALA 75 H ALA 75 8.770 16.270 -0.677 575 HA ALA 75 HA ALA 75 6.489 16.355 1.153 576 1HB ALA 75 1HB ALA 75 7.902 17.747 2.609 577 2HB ALA 75 2HB ALA 75 9.222 17.597 1.449 578 3HB ALA 75 3HB ALA 75 8.628 16.170 2.299 579 H SER 76 H SER 76 5.201 18.154 1.209 580 HA SER 76 HA SER 76 4.120 19.967 0.367 581 1HB SER 76 1HB SER 76 6.933 20.962 -0.190 582 2HB SER 76 2HB SER 76 5.482 21.958 -0.091 583 HG SER 76 HG SER 76 6.819 21.844 1.862 584 H ALA 77 H ALA 77 4.637 21.638 -1.853 585 HA ALA 77 HA ALA 77 5.014 19.775 -4.087 586 1HB ALA 77 1HB ALA 77 3.035 20.608 -5.218 587 2HB ALA 77 2HB ALA 77 2.681 21.670 -3.855 588 3HB ALA 77 3HB ALA 77 2.606 19.918 -3.652 589 H ALA 78 H ALA 78 6.931 20.678 -4.717 590 HA ALA 78 HA ALA 78 7.113 23.548 -5.165 591 1HB ALA 78 1HB ALA 78 9.050 22.298 -4.296 592 2HB ALA 78 2HB ALA 78 9.409 23.118 -5.817 593 3HB ALA 78 3HB ALA 78 9.112 21.379 -5.801 594 H ALA 79 H ALA 79 7.839 24.380 -7.327 595 HA ALA 79 HA ALA 79 5.946 23.465 -9.267 596 1HB ALA 79 1HB ALA 79 6.726 25.291 -10.649 597 2HB ALA 79 2HB ALA 79 8.127 25.521 -9.601 598 3HB ALA 79 3HB ALA 79 6.507 25.843 -8.988 599 H LYS 80 H LYS 80 9.304 24.199 -10.083 600 HA LYS 80 HA LYS 80 9.572 21.514 -11.274 601 1HB LYS 80 1HB LYS 80 10.584 24.087 -12.510 602 2HB LYS 80 2HB LYS 80 10.694 22.476 -13.201 603 1HG LYS 80 1HG LYS 80 8.361 22.385 -13.592 604 2HG LYS 80 2HG LYS 80 8.075 23.833 -12.625 605 1HD LYS 80 1HD LYS 80 7.948 24.390 -14.972 606 2HD LYS 80 2HD LYS 80 9.377 25.144 -14.265 607 1HE LYS 80 1HE LYS 80 9.949 24.215 -16.415 608 2HE LYS 80 2HE LYS 80 10.747 23.286 -15.146 609 1HZ LYS 80 1HZ LYS 80 8.202 22.480 -16.452 610 2HZ LYS 80 2HZ LYS 80 9.129 21.558 -15.368 611 3HZ LYS 80 3HZ LYS 80 9.734 21.911 -16.911 612 H ASP 81 H ASP 81 11.731 24.293 -11.263 613 HA ASP 81 HA ASP 81 13.757 22.781 -9.798 614 1HB ASP 81 1HB ASP 81 15.279 24.562 -10.427 615 2HB ASP 81 2HB ASP 81 14.364 24.087 -11.853 616 H GLY 82 H GLY 82 11.417 25.237 -9.427 617 1HA GLY 82 1HA GLY 82 11.580 25.295 -6.617 618 2HA GLY 82 2HA GLY 82 12.394 26.709 -7.276 Start of MODEL 5 1 1H SER 1 1H SER 1 -11.211 -6.611 -4.986 2 2H SER 1 2H SER 1 -9.999 -7.767 -4.742 3 3H SER 1 3H SER 1 -11.473 -8.223 -5.453 4 HA SER 1 HA SER 1 -9.869 -8.089 -7.167 5 1HB SER 1 1HB SER 1 -12.172 -7.183 -7.590 6 2HB SER 1 2HB SER 1 -11.568 -5.574 -7.211 7 HG SER 1 HG SER 1 -10.461 -7.223 -9.245 8 H GLN 2 H GLN 2 -7.998 -7.265 -7.951 9 HA GLN 2 HA GLN 2 -6.054 -6.126 -8.029 10 1HB GLN 2 1HB GLN 2 -8.059 -3.982 -7.617 11 2HB GLN 2 2HB GLN 2 -6.376 -3.553 -7.351 12 1HG GLN 2 1HG GLN 2 -7.120 -3.068 -9.636 13 2HG GLN 2 2HG GLN 2 -5.796 -4.231 -9.580 14 1HE2 GLN 2 1HE2 GLN 2 -9.193 -3.792 -10.167 15 2HE2 GLN 2 2HE2 GLN 2 -9.439 -5.280 -11.010 16 H GLU 3 H GLU 3 -6.250 -7.601 -5.842 17 HA GLU 3 HA GLU 3 -4.930 -5.928 -3.807 18 1HB GLU 3 1HB GLU 3 -6.469 -8.494 -3.348 19 2HB GLU 3 2HB GLU 3 -5.716 -7.488 -2.116 20 1HG GLU 3 1HG GLU 3 -7.340 -5.889 -2.221 21 2HG GLU 3 2HG GLU 3 -7.757 -6.261 -3.892 22 H TRP 4 H TRP 4 -3.128 -6.891 -2.762 23 HA TRP 4 HA TRP 4 -2.001 -9.243 -4.105 24 1HB TRP 4 1HB TRP 4 -0.532 -6.637 -3.622 25 2HB TRP 4 2HB TRP 4 0.216 -8.128 -4.185 26 HD1 TRP 4 HD1 TRP 4 -0.470 -8.953 -6.694 27 HE1 TRP 4 HE1 TRP 4 -1.183 -7.585 -8.761 28 HE3 TRP 4 HE3 TRP 4 -1.769 -4.593 -4.362 29 HZ2 TRP 4 HZ2 TRP 4 -2.174 -5.005 -9.316 30 HZ3 TRP 4 HZ3 TRP 4 -2.591 -2.722 -5.735 31 HH2 TRP 4 HH2 TRP 4 -2.786 -2.924 -8.161 32 H THR 5 H THR 5 -0.288 -10.273 -2.852 33 HA THR 5 HA THR 5 -0.707 -9.932 0.017 34 HB THR 5 HB THR 5 0.996 -12.000 -1.407 35 HG1 THR 5 HG1 THR 5 -1.070 -12.443 -2.031 36 1HG2 THR 5 1HG2 THR 5 1.588 -11.689 0.937 37 2HG2 THR 5 2HG2 THR 5 0.781 -13.242 0.710 38 3HG2 THR 5 3HG2 THR 5 -0.100 -11.880 1.407 39 H LEU 6 H LEU 6 0.394 -8.207 0.681 40 HA LEU 6 HA LEU 6 3.061 -7.688 -0.396 41 1HB LEU 6 1HB LEU 6 1.348 -5.941 1.367 42 2HB LEU 6 2HB LEU 6 2.794 -5.461 0.501 43 HG LEU 6 HG LEU 6 0.206 -6.304 -0.806 44 1HD1 LEU 6 1HD1 LEU 6 -0.042 -3.933 -1.367 45 2HD1 LEU 6 2HD1 LEU 6 1.388 -3.562 -0.407 46 3HD1 LEU 6 3HD1 LEU 6 -0.058 -4.198 0.376 47 1HD2 LEU 6 1HD2 LEU 6 2.729 -5.123 -1.957 48 2HD2 LEU 6 2HD2 LEU 6 1.231 -5.403 -2.843 49 3HD2 LEU 6 3HD2 LEU 6 2.140 -6.768 -2.195 50 H ASP 7 H ASP 7 4.838 -7.301 0.960 51 HA ASP 7 HA ASP 7 4.489 -7.819 3.819 52 1HB ASP 7 1HB ASP 7 5.259 -9.943 2.768 53 2HB ASP 7 2HB ASP 7 6.671 -9.096 2.143 54 H ILE 8 H ILE 8 4.869 -5.774 4.414 55 HA ILE 8 HA ILE 8 7.226 -4.404 3.360 56 HB ILE 8 HB ILE 8 4.666 -3.472 4.601 57 1HG1 ILE 8 1HG1 ILE 8 4.760 -1.907 2.636 58 2HG1 ILE 8 2HG1 ILE 8 6.226 -2.727 2.116 59 1HG2 ILE 8 1HG2 ILE 8 7.182 -1.816 4.399 60 2HG2 ILE 8 2HG2 ILE 8 6.342 -2.287 5.879 61 3HG2 ILE 8 3HG2 ILE 8 5.572 -1.181 4.742 62 1HD1 ILE 8 1HD1 ILE 8 4.357 -3.532 0.857 63 2HD1 ILE 8 2HD1 ILE 8 3.475 -3.922 2.337 64 3HD1 ILE 8 3HD1 ILE 8 4.937 -4.817 1.918 65 HA PRO 9 HA PRO 9 9.471 -5.332 7.081 66 1HB PRO 9 1HB PRO 9 11.071 -3.015 6.117 67 2HB PRO 9 2HB PRO 9 11.597 -4.649 6.553 68 1HG PRO 9 1HG PRO 9 11.466 -3.924 4.004 69 2HG PRO 9 2HG PRO 9 10.936 -5.543 4.506 70 1HD PRO 9 1HD PRO 9 9.291 -3.124 3.856 71 2HD PRO 9 2HD PRO 9 9.018 -4.823 3.412 72 H ALA 10 H ALA 10 10.181 -4.269 9.008 73 HA ALA 10 HA ALA 10 8.596 -1.858 9.643 74 1HB ALA 10 1HB ALA 10 7.878 -3.849 10.878 75 2HB ALA 10 2HB ALA 10 8.572 -2.642 11.957 76 3HB ALA 10 3HB ALA 10 9.516 -4.059 11.496 77 H GLN 11 H GLN 11 11.258 -2.134 8.482 78 HA GLN 11 HA GLN 11 12.889 -0.822 10.539 79 1HB GLN 11 1HB GLN 11 14.795 -1.340 9.045 80 2HB GLN 11 2HB GLN 11 13.927 -2.790 9.535 81 1HG GLN 11 1HG GLN 11 12.700 -2.686 7.360 82 2HG GLN 11 2HG GLN 11 13.793 -1.385 6.883 83 1HE2 GLN 11 1HE2 GLN 11 13.451 -4.774 7.481 84 2HE2 GLN 11 2HE2 GLN 11 14.963 -5.252 6.787 85 H SER 12 H SER 12 14.629 0.475 8.678 86 HA SER 12 HA SER 12 13.448 2.910 8.224 87 1HB SER 12 1HB SER 12 15.538 1.733 6.390 88 2HB SER 12 2HB SER 12 15.322 3.423 6.843 89 HG SER 12 HG SER 12 16.177 3.033 8.813 90 H MET 13 H MET 13 12.092 3.752 6.795 91 HA MET 13 HA MET 13 10.411 2.338 5.133 92 1HB MET 13 1HB MET 13 9.920 4.591 5.901 93 2HB MET 13 2HB MET 13 11.268 5.234 4.980 94 1HG MET 13 1HG MET 13 10.163 4.753 2.909 95 2HG MET 13 2HG MET 13 8.854 3.920 3.753 96 1HE MET 13 1HE MET 13 8.498 5.904 6.283 97 2HE MET 13 2HE MET 13 7.160 5.173 5.398 98 3HE MET 13 3HE MET 13 7.180 6.912 5.687 99 H ASN 14 H ASN 14 13.581 3.516 4.500 100 HA ASN 14 HA ASN 14 13.753 3.530 1.747 101 1HB ASN 14 1HB ASN 14 15.527 4.141 3.457 102 2HB ASN 14 2HB ASN 14 15.866 2.421 3.604 103 1HD2 ASN 14 1HD2 ASN 14 17.440 4.766 2.655 104 2HD2 ASN 14 2HD2 ASN 14 18.042 4.291 1.097 105 H SER 15 H SER 15 13.982 0.756 3.980 106 HA SER 15 HA SER 15 14.496 -1.120 1.862 107 1HB SER 15 1HB SER 15 13.626 -1.750 4.689 108 2HB SER 15 2HB SER 15 14.536 -2.778 3.575 109 HG SER 15 HG SER 15 15.934 -1.826 5.077 110 H ALA 16 H ALA 16 11.732 -0.063 3.754 111 HA ALA 16 HA ALA 16 9.873 -1.980 2.928 112 1HB ALA 16 1HB ALA 16 9.368 0.910 3.617 113 2HB ALA 16 2HB ALA 16 9.483 -0.417 4.773 114 3HB ALA 16 3HB ALA 16 8.165 -0.379 3.597 115 H LEU 17 H LEU 17 10.805 1.111 1.474 116 HA LEU 17 HA LEU 17 8.970 1.027 -0.667 117 1HB LEU 17 1HB LEU 17 11.645 2.393 -0.407 118 2HB LEU 17 2HB LEU 17 10.555 2.634 -1.758 119 HG LEU 17 HG LEU 17 9.948 3.301 1.126 120 1HD1 LEU 17 1HD1 LEU 17 11.577 4.816 0.168 121 2HD1 LEU 17 2HD1 LEU 17 10.022 5.626 0.355 122 3HD1 LEU 17 3HD1 LEU 17 10.542 5.075 -1.237 123 1HD2 LEU 17 1HD2 LEU 17 7.926 4.352 0.240 124 2HD2 LEU 17 2HD2 LEU 17 7.950 2.622 -0.094 125 3HD2 LEU 17 3HD2 LEU 17 8.327 3.770 -1.375 126 H GLN 18 H GLN 18 12.306 -0.135 -0.338 127 HA GLN 18 HA GLN 18 12.664 -1.076 -2.947 128 1HB GLN 18 1HB GLN 18 13.737 -2.255 -0.372 129 2HB GLN 18 2HB GLN 18 14.344 -2.614 -1.982 130 1HG GLN 18 1HG GLN 18 15.054 -0.310 -2.246 131 2HG GLN 18 2HG GLN 18 14.398 0.087 -0.658 132 1HE2 GLN 18 1HE2 GLN 18 16.364 0.725 0.170 133 2HE2 GLN 18 2HE2 GLN 18 17.636 -0.396 0.523 134 H ALA 19 H ALA 19 11.182 -2.585 -0.118 135 HA ALA 19 HA ALA 19 10.738 -5.120 -1.286 136 1HB ALA 19 1HB ALA 19 10.693 -4.793 1.126 137 2HB ALA 19 2HB ALA 19 9.172 -5.485 0.564 138 3HB ALA 19 3HB ALA 19 9.264 -3.773 0.974 139 H LEU 20 H LEU 20 8.769 -2.163 -1.141 140 HA LEU 20 HA LEU 20 6.434 -3.311 -2.267 141 1HB LEU 20 1HB LEU 20 7.452 -0.540 -1.815 142 2HB LEU 20 2HB LEU 20 6.061 -0.785 -2.849 143 HG LEU 20 HG LEU 20 6.219 -1.734 0.010 144 1HD1 LEU 20 1HD1 LEU 20 6.290 0.702 -0.080 145 2HD1 LEU 20 2HD1 LEU 20 4.730 0.141 0.524 146 3HD1 LEU 20 3HD1 LEU 20 4.877 0.712 -1.137 147 1HD2 LEU 20 1HD2 LEU 20 4.685 -3.012 -1.390 148 2HD2 LEU 20 2HD2 LEU 20 3.909 -1.518 -1.917 149 3HD2 LEU 20 3HD2 LEU 20 3.804 -2.018 -0.229 150 H ALA 21 H ALA 21 9.335 -1.856 -3.549 151 HA ALA 21 HA ALA 21 8.459 -1.262 -6.154 152 1HB ALA 21 1HB ALA 21 10.813 -1.181 -6.752 153 2HB ALA 21 2HB ALA 21 11.239 -2.007 -5.254 154 3HB ALA 21 3HB ALA 21 10.546 -0.387 -5.200 155 H LYS 22 H LYS 22 10.515 -3.986 -5.115 156 HA LYS 22 HA LYS 22 10.195 -5.437 -7.512 157 1HB LYS 22 1HB LYS 22 11.039 -6.321 -4.753 158 2HB LYS 22 2HB LYS 22 11.074 -7.374 -6.164 159 1HG LYS 22 1HG LYS 22 12.632 -5.829 -7.265 160 2HG LYS 22 2HG LYS 22 12.614 -4.806 -5.827 161 1HD LYS 22 1HD LYS 22 13.537 -6.620 -4.499 162 2HD LYS 22 2HD LYS 22 13.499 -7.688 -5.903 163 1HE LYS 22 1HE LYS 22 15.739 -6.836 -5.553 164 2HE LYS 22 2HE LYS 22 15.076 -6.209 -7.060 165 1HZ LYS 22 1HZ LYS 22 16.244 -4.511 -5.759 166 2HZ LYS 22 2HZ LYS 22 15.145 -4.725 -4.484 167 3HZ LYS 22 3HZ LYS 22 14.608 -4.120 -5.975 168 H GLN 23 H GLN 23 8.248 -5.194 -4.661 169 HA GLN 23 HA GLN 23 6.796 -7.578 -4.810 170 1HB GLN 23 1HB GLN 23 6.844 -5.582 -3.057 171 2HB GLN 23 2HB GLN 23 5.439 -5.061 -3.973 172 1HG GLN 23 1HG GLN 23 4.467 -6.310 -2.333 173 2HG GLN 23 2HG GLN 23 4.649 -7.500 -3.616 174 1HE2 GLN 23 1HE2 GLN 23 7.336 -6.335 -1.727 175 2HE2 GLN 23 2HE2 GLN 23 7.610 -7.802 -0.855 176 H THR 24 H THR 24 6.328 -4.443 -6.382 177 HA THR 24 HA THR 24 4.120 -5.623 -7.942 178 HB THR 24 HB THR 24 3.218 -3.263 -8.102 179 HG1 THR 24 HG1 THR 24 5.054 -2.848 -5.942 180 1HG2 THR 24 1HG2 THR 24 3.363 -4.456 -5.329 181 2HG2 THR 24 2HG2 THR 24 2.250 -4.961 -6.600 182 3HG2 THR 24 3HG2 THR 24 2.133 -3.337 -5.922 183 H ASP 25 H ASP 25 7.083 -5.276 -8.403 184 HA ASP 25 HA ASP 25 8.616 -4.436 -9.847 185 1HB ASP 25 1HB ASP 25 8.153 -4.943 -12.204 186 2HB ASP 25 2HB ASP 25 7.696 -6.262 -11.142 187 H THR 26 H THR 26 7.426 -2.312 -8.691 188 HA THR 26 HA THR 26 6.648 -0.463 -10.823 189 HB THR 26 HB THR 26 6.166 1.041 -8.758 190 HG1 THR 26 HG1 THR 26 5.606 -1.147 -7.238 191 1HG2 THR 26 1HG2 THR 26 3.950 0.051 -8.497 192 2HG2 THR 26 2HG2 THR 26 4.518 -1.445 -9.241 193 3HG2 THR 26 3HG2 THR 26 4.437 0.039 -10.193 194 H GLN 27 H GLN 27 7.414 1.856 -10.432 195 HA GLN 27 HA GLN 27 10.320 1.791 -9.978 196 1HB GLN 27 1HB GLN 27 9.722 2.436 -12.235 197 2HB GLN 27 2HB GLN 27 8.603 3.648 -11.636 198 1HG GLN 27 1HG GLN 27 10.518 4.806 -12.356 199 2HG GLN 27 2HG GLN 27 10.569 4.809 -10.598 200 1HE2 GLN 27 1HE2 GLN 27 11.473 1.956 -10.578 201 2HE2 GLN 27 2HE2 GLN 27 13.142 2.021 -11.011 202 H LEU 28 H LEU 28 11.226 3.123 -8.490 203 HA LEU 28 HA LEU 28 9.354 4.657 -6.836 204 1HB LEU 28 1HB LEU 28 12.142 3.700 -6.201 205 2HB LEU 28 2HB LEU 28 11.047 4.506 -5.095 206 HG LEU 28 HG LEU 28 10.531 1.807 -6.338 207 1HD1 LEU 28 1HD1 LEU 28 12.426 1.713 -4.826 208 2HD1 LEU 28 2HD1 LEU 28 11.025 0.916 -4.115 209 3HD1 LEU 28 3HD1 LEU 28 11.490 2.530 -3.574 210 1HD2 LEU 28 1HD2 LEU 28 8.492 3.004 -5.773 211 2HD2 LEU 28 2HD2 LEU 28 9.104 3.320 -4.149 212 3HD2 LEU 28 3HD2 LEU 28 8.751 1.667 -4.653 213 H LEU 29 H LEU 29 9.478 6.778 -6.679 214 HA LEU 29 HA LEU 29 11.879 8.139 -7.718 215 1HB LEU 29 1HB LEU 29 9.935 8.410 -9.213 216 2HB LEU 29 2HB LEU 29 9.007 9.063 -7.880 217 HG LEU 29 HG LEU 29 10.513 10.998 -7.765 218 1HD1 LEU 29 1HD1 LEU 29 11.843 9.767 -10.173 219 2HD1 LEU 29 2HD1 LEU 29 12.551 9.917 -8.565 220 3HD1 LEU 29 3HD1 LEU 29 12.182 11.364 -9.505 221 1HD2 LEU 29 1HD2 LEU 29 9.397 10.442 -10.510 222 2HD2 LEU 29 2HD2 LEU 29 9.853 12.033 -9.896 223 3HD2 LEU 29 3HD2 LEU 29 8.528 11.143 -9.146 224 H TYR 30 H TYR 30 12.929 8.698 -5.902 225 HA TYR 30 HA TYR 30 11.849 10.662 -4.166 226 1HB TYR 30 1HB TYR 30 11.790 9.427 -2.082 227 2HB TYR 30 2HB TYR 30 10.695 8.666 -3.228 228 HD1 TYR 30 HD1 TYR 30 11.256 6.472 -4.205 229 HD2 TYR 30 HD2 TYR 30 13.742 8.270 -1.254 230 HE1 TYR 30 HE1 TYR 30 12.355 4.307 -3.809 231 HE2 TYR 30 HE2 TYR 30 14.845 6.107 -0.861 232 HH TYR 30 HH TYR 30 14.358 3.390 -2.934 233 H SER 31 H SER 31 13.394 11.290 -2.492 234 HA SER 31 HA SER 31 16.149 10.653 -3.289 235 1HB SER 31 1HB SER 31 15.165 12.928 -1.549 236 2HB SER 31 2HB SER 31 16.768 12.758 -2.272 237 HG SER 31 HG SER 31 14.300 13.122 -3.651 238 HA PRO 32 HA PRO 32 15.994 7.780 0.090 239 1HB PRO 32 1HB PRO 32 18.948 7.908 -0.257 240 2HB PRO 32 2HB PRO 32 17.876 6.503 -0.211 241 1HG PRO 32 1HG PRO 32 18.876 7.356 -2.519 242 2HG PRO 32 2HG PRO 32 17.196 6.791 -2.418 243 1HD PRO 32 1HD PRO 32 18.255 9.584 -2.559 244 2HD PRO 32 2HD PRO 32 16.808 8.884 -3.314 245 H GLU 33 H GLU 33 18.351 10.451 0.163 246 HA GLU 33 HA GLU 33 18.813 10.126 2.983 247 1HB GLU 33 1HB GLU 33 19.575 12.356 1.096 248 2HB GLU 33 2HB GLU 33 20.141 12.194 2.755 249 1HG GLU 33 1HG GLU 33 21.276 10.143 2.223 250 2HG GLU 33 2HG GLU 33 20.614 10.162 0.587 251 H ASP 34 H ASP 34 16.401 11.604 1.128 252 HA ASP 34 HA ASP 34 15.919 13.767 3.014 253 1HB ASP 34 1HB ASP 34 14.785 13.070 0.325 254 2HB ASP 34 2HB ASP 34 13.990 14.255 1.356 255 H ILE 35 H ILE 35 15.095 10.583 2.963 256 HA ILE 35 HA ILE 35 12.410 11.050 4.053 257 HB ILE 35 HB ILE 35 12.138 8.605 4.064 258 1HG1 ILE 35 1HG1 ILE 35 14.867 8.547 2.762 259 2HG1 ILE 35 2HG1 ILE 35 14.508 8.005 4.398 260 1HG2 ILE 35 1HG2 ILE 35 13.062 9.653 1.393 261 2HG2 ILE 35 2HG2 ILE 35 11.468 9.913 2.102 262 3HG2 ILE 35 3HG2 ILE 35 11.984 8.283 1.666 263 1HD1 ILE 35 1HD1 ILE 35 13.422 6.811 1.859 264 2HD1 ILE 35 2HD1 ILE 35 13.047 6.269 3.495 265 3HD1 ILE 35 3HD1 ILE 35 14.693 6.130 2.873 266 H GLY 36 H GLY 36 15.487 11.013 5.140 267 1HA GLY 36 1HA GLY 36 16.385 11.058 7.240 268 2HA GLY 36 2HA GLY 36 14.742 11.266 7.819 269 H GLY 37 H GLY 37 15.444 8.389 6.050 270 1HA GLY 37 1HA GLY 37 15.444 6.182 6.671 271 2HA GLY 37 2HA GLY 37 16.444 6.702 8.017 272 H LEU 38 H LEU 38 13.091 7.619 7.376 273 HA LEU 38 HA LEU 38 12.299 7.077 10.059 274 1HB LEU 38 1HB LEU 38 10.629 7.544 7.582 275 2HB LEU 38 2HB LEU 38 10.007 7.522 9.220 276 HG LEU 38 HG LEU 38 12.032 9.514 8.198 277 1HD1 LEU 38 1HD1 LEU 38 10.185 11.106 8.180 278 2HD1 LEU 38 2HD1 LEU 38 9.062 9.821 8.622 279 3HD1 LEU 38 3HD1 LEU 38 9.886 9.772 7.064 280 1HD2 LEU 38 1HD2 LEU 38 10.419 9.409 10.745 281 2HD2 LEU 38 2HD2 LEU 38 11.481 10.727 10.252 282 3HD2 LEU 38 3HD2 LEU 38 12.155 9.135 10.602 283 H ARG 39 H ARG 39 11.635 5.175 10.925 284 HA ARG 39 HA ARG 39 11.517 2.860 9.201 285 1HB ARG 39 1HB ARG 39 11.046 1.614 11.334 286 2HB ARG 39 2HB ARG 39 12.576 2.465 11.279 287 1HG ARG 39 1HG ARG 39 11.571 4.295 12.593 288 2HG ARG 39 2HG ARG 39 10.076 3.360 12.692 289 1HD ARG 39 1HD ARG 39 11.478 3.129 14.704 290 2HD ARG 39 2HD ARG 39 11.217 1.592 13.878 291 HE ARG 39 HE ARG 39 13.586 2.605 12.875 292 1HH1 ARG 39 1HH1 ARG 39 12.357 1.614 16.013 293 2HH1 ARG 39 2HH1 ARG 39 13.932 1.166 16.605 294 1HH2 ARG 39 1HH2 ARG 39 15.630 2.004 13.661 295 2HH2 ARG 39 2HH2 ARG 39 15.779 1.378 15.279 296 H SER 40 H SER 40 9.825 1.686 8.626 297 HA SER 40 HA SER 40 7.208 2.908 8.965 298 1HB SER 40 1HB SER 40 6.602 1.120 7.218 299 2HB SER 40 2HB SER 40 7.692 2.408 6.701 300 HG SER 40 HG SER 40 8.227 -0.304 7.193 301 H SER 41 H SER 41 5.351 1.541 9.419 302 HA SER 41 HA SER 41 5.881 -0.479 11.425 303 1HB SER 41 1HB SER 41 3.203 0.364 10.286 304 2HB SER 41 2HB SER 41 3.514 -0.419 11.834 305 HG SER 41 HG SER 41 4.790 1.550 12.319 306 H ALA 42 H ALA 42 5.484 -2.659 11.185 307 HA ALA 42 HA ALA 42 5.882 -3.810 8.665 308 1HB ALA 42 1HB ALA 42 5.410 -5.940 9.742 309 2HB ALA 42 2HB ALA 42 4.714 -5.099 11.126 310 3HB ALA 42 3HB ALA 42 6.432 -4.935 10.770 311 H LEU 43 H LEU 43 4.477 -3.395 7.073 312 HA LEU 43 HA LEU 43 1.615 -3.847 7.589 313 1HB LEU 43 1HB LEU 43 2.420 -1.570 6.772 314 2HB LEU 43 2HB LEU 43 2.829 -2.364 5.263 315 HG LEU 43 HG LEU 43 0.424 -3.046 5.049 316 1HD1 LEU 43 1HD1 LEU 43 0.073 -1.120 7.343 317 2HD1 LEU 43 2HD1 LEU 43 -0.189 -2.866 7.404 318 3HD1 LEU 43 3HD1 LEU 43 -1.221 -1.853 6.395 319 1HD2 LEU 43 1HD2 LEU 43 -0.340 -0.840 4.328 320 2HD2 LEU 43 2HD2 LEU 43 1.326 -1.138 3.830 321 3HD2 LEU 43 3HD2 LEU 43 0.990 -0.086 5.207 322 H LYS 44 H LYS 44 1.358 -5.993 7.152 323 HA LYS 44 HA LYS 44 1.969 -6.771 4.406 324 1HB LYS 44 1HB LYS 44 2.800 -8.963 5.127 325 2HB LYS 44 2HB LYS 44 3.813 -7.639 5.690 326 1HG LYS 44 1HG LYS 44 2.999 -7.859 7.913 327 2HG LYS 44 2HG LYS 44 1.735 -8.985 7.401 328 1HD LYS 44 1HD LYS 44 4.703 -9.484 7.215 329 2HD LYS 44 2HD LYS 44 3.629 -10.152 8.445 330 1HE LYS 44 1HE LYS 44 2.475 -11.472 6.878 331 2HE LYS 44 2HE LYS 44 3.126 -10.565 5.514 332 1HZ LYS 44 1HZ LYS 44 4.634 -12.405 7.294 333 2HZ LYS 44 2HZ LYS 44 5.326 -11.462 6.064 334 3HZ LYS 44 3HZ LYS 44 4.212 -12.678 5.670 335 H GLY 45 H GLY 45 0.285 -7.537 3.442 336 1HA GLY 45 1HA GLY 45 -1.454 -9.502 4.368 337 2HA GLY 45 2HA GLY 45 -2.200 -7.946 4.719 338 H ARG 46 H ARG 46 -3.864 -8.720 3.193 339 HA ARG 46 HA ARG 46 -3.029 -8.683 0.382 340 1HB ARG 46 1HB ARG 46 -4.619 -10.450 1.432 341 2HB ARG 46 2HB ARG 46 -5.835 -9.184 1.348 342 1HG ARG 46 1HG ARG 46 -5.348 -9.008 -1.103 343 2HG ARG 46 2HG ARG 46 -4.337 -10.446 -0.934 344 1HD ARG 46 1HD ARG 46 -6.436 -11.233 -1.657 345 2HD ARG 46 2HD ARG 46 -6.370 -11.580 0.071 346 HE ARG 46 HE ARG 46 -7.717 -9.153 -0.908 347 1HH1 ARG 46 1HH1 ARG 46 -7.811 -12.170 0.889 348 2HH1 ARG 46 2HH1 ARG 46 -9.445 -11.918 1.426 349 1HH2 ARG 46 1HH2 ARG 46 -9.823 -8.842 -0.205 350 2HH2 ARG 46 2HH2 ARG 46 -10.594 -10.036 0.802 351 H HIS 47 H HIS 47 -2.745 -6.556 -0.145 352 HA HIS 47 HA HIS 47 -5.066 -4.787 0.151 353 1HB HIS 47 1HB HIS 47 -2.293 -4.257 1.189 354 2HB HIS 47 2HB HIS 47 -3.357 -2.930 0.740 355 HD1 HIS 47 HD1 HIS 47 -5.070 -2.213 2.431 356 HD2 HIS 47 HD2 HIS 47 -3.280 -5.844 3.392 357 HE1 HIS 47 HE1 HIS 47 -5.866 -2.769 4.755 358 HE2 HIS 47 HE2 HIS 47 -4.947 -5.072 5.216 359 H ASP 48 H ASP 48 -4.959 -2.876 -1.174 360 HA ASP 48 HA ASP 48 -3.726 -3.288 -3.740 361 1HB ASP 48 1HB ASP 48 -5.936 -2.243 -3.577 362 2HB ASP 48 2HB ASP 48 -5.276 -0.939 -2.604 363 H LEU 49 H LEU 49 -2.203 -1.725 -4.706 364 HA LEU 49 HA LEU 49 0.036 -1.300 -3.088 365 1HB LEU 49 1HB LEU 49 0.151 -1.478 -5.534 366 2HB LEU 49 2HB LEU 49 -0.675 0.060 -5.689 367 HG LEU 49 HG LEU 49 1.243 1.174 -4.581 368 1HD1 LEU 49 1HD1 LEU 49 2.512 -1.553 -4.751 369 2HD1 LEU 49 2HD1 LEU 49 2.077 -0.694 -3.274 370 3HD1 LEU 49 3HD1 LEU 49 3.345 -0.059 -4.323 371 1HD2 LEU 49 1HD2 LEU 49 1.938 -0.463 -7.015 372 2HD2 LEU 49 2HD2 LEU 49 2.787 0.982 -6.470 373 3HD2 LEU 49 3HD2 LEU 49 1.112 1.096 -7.010 374 H GLN 50 H GLN 50 -2.423 0.986 -4.214 375 HA GLN 50 HA GLN 50 -1.340 3.300 -3.015 376 1HB GLN 50 1HB GLN 50 -4.173 2.598 -3.795 377 2HB GLN 50 2HB GLN 50 -3.666 4.201 -3.282 378 1HG GLN 50 1HG GLN 50 -2.351 4.522 -5.189 379 2HG GLN 50 2HG GLN 50 -2.369 2.807 -5.597 380 1HE2 GLN 50 1HE2 GLN 50 -5.182 2.486 -5.083 381 2HE2 GLN 50 2HE2 GLN 50 -6.028 3.257 -6.383 382 H SER 51 H SER 51 -3.479 0.789 -1.857 383 HA SER 51 HA SER 51 -4.328 2.011 0.526 384 1HB SER 51 1HB SER 51 -5.389 -0.020 -0.373 385 2HB SER 51 2HB SER 51 -3.912 -0.933 -0.080 386 HG SER 51 HG SER 51 -5.672 0.215 1.824 387 H SER 52 H SER 52 -1.570 -0.105 -0.188 388 HA SER 52 HA SER 52 -0.498 -0.198 2.402 389 1HB SER 52 1HB SER 52 0.191 -1.701 0.554 390 2HB SER 52 2HB SER 52 0.981 -0.341 -0.240 391 HG SER 52 HG SER 52 2.073 -0.231 2.009 392 H LEU 53 H LEU 53 0.101 2.037 -0.289 393 HA LEU 53 HA LEU 53 2.143 3.520 0.951 394 1HB LEU 53 1HB LEU 53 0.152 4.383 -1.148 395 2HB LEU 53 2HB LEU 53 1.618 5.249 -0.729 396 HG LEU 53 HG LEU 53 1.521 2.471 -1.909 397 1HD1 LEU 53 1HD1 LEU 53 2.386 3.524 -3.935 398 2HD1 LEU 53 2HD1 LEU 53 2.264 5.109 -3.171 399 3HD1 LEU 53 3HD1 LEU 53 0.805 4.177 -3.506 400 1HD2 LEU 53 1HD2 LEU 53 3.944 2.776 -2.182 401 2HD2 LEU 53 2HD2 LEU 53 3.461 2.794 -0.485 402 3HD2 LEU 53 3HD2 LEU 53 3.839 4.307 -1.311 403 H ARG 54 H ARG 54 -1.364 3.944 0.882 404 HA ARG 54 HA ARG 54 -1.389 6.473 2.142 405 1HB ARG 54 1HB ARG 54 -3.262 5.572 0.803 406 2HB ARG 54 2HB ARG 54 -3.574 4.389 2.061 407 1HG ARG 54 1HG ARG 54 -4.218 6.086 3.606 408 2HG ARG 54 2HG ARG 54 -3.687 7.362 2.506 409 1HD ARG 54 1HD ARG 54 -5.940 5.413 2.014 410 2HD ARG 54 2HD ARG 54 -6.121 7.107 2.468 411 HE ARG 54 HE ARG 54 -4.598 7.181 0.201 412 1HH1 ARG 54 1HH1 ARG 54 -7.744 5.857 1.028 413 2HH1 ARG 54 2HH1 ARG 54 -8.368 6.002 -0.590 414 1HH2 ARG 54 1HH2 ARG 54 -5.425 7.381 -1.918 415 2HH2 ARG 54 2HH2 ARG 54 -7.047 6.857 -2.267 416 H ILE 55 H ILE 55 -1.753 3.177 3.429 417 HA ILE 55 HA ILE 55 -2.334 3.954 6.080 418 HB ILE 55 HB ILE 55 -1.034 1.412 5.084 419 1HG1 ILE 55 1HG1 ILE 55 -3.915 2.001 5.803 420 2HG1 ILE 55 2HG1 ILE 55 -3.294 1.872 4.162 421 1HG2 ILE 55 1HG2 ILE 55 -0.603 1.760 7.461 422 2HG2 ILE 55 2HG2 ILE 55 -1.737 0.433 7.215 423 3HG2 ILE 55 3HG2 ILE 55 -2.326 2.008 7.745 424 1HD1 ILE 55 1HD1 ILE 55 -4.434 -0.156 4.850 425 2HD1 ILE 55 2HD1 ILE 55 -3.326 -0.330 6.210 426 3HD1 ILE 55 3HD1 ILE 55 -2.720 -0.459 4.558 427 H LEU 56 H LEU 56 0.721 3.199 4.446 428 HA LEU 56 HA LEU 56 2.305 3.448 6.794 429 1HB LEU 56 1HB LEU 56 3.016 3.465 3.870 430 2HB LEU 56 2HB LEU 56 4.212 3.563 5.146 431 HG LEU 56 HG LEU 56 2.304 1.261 4.720 432 1HD1 LEU 56 1HD1 LEU 56 4.298 0.025 4.037 433 2HD1 LEU 56 2HD1 LEU 56 5.265 1.490 4.198 434 3HD1 LEU 56 3HD1 LEU 56 4.000 1.399 2.975 435 1HD2 LEU 56 1HD2 LEU 56 4.575 1.625 6.675 436 2HD2 LEU 56 2HD2 LEU 56 3.674 0.129 6.423 437 3HD2 LEU 56 3HD2 LEU 56 2.858 1.551 7.069 438 H LEU 57 H LEU 57 1.785 5.648 4.022 439 HA LEU 57 HA LEU 57 3.312 7.706 5.438 440 1HB LEU 57 1HB LEU 57 2.336 7.485 2.603 441 2HB LEU 57 2HB LEU 57 2.972 8.984 3.248 442 HG LEU 57 HG LEU 57 5.095 7.662 3.796 443 1HD1 LEU 57 1HD1 LEU 57 5.511 5.695 2.398 444 2HD1 LEU 57 2HD1 LEU 57 3.831 5.726 1.866 445 3HD1 LEU 57 3HD1 LEU 57 4.211 5.418 3.559 446 1HD2 LEU 57 1HD2 LEU 57 5.956 7.933 1.528 447 2HD2 LEU 57 2HD2 LEU 57 4.955 9.304 2.007 448 3HD2 LEU 57 3HD2 LEU 57 4.308 8.078 0.918 449 H GLN 58 H GLN 58 0.506 6.833 6.085 450 HA GLN 58 HA GLN 58 -1.419 8.698 5.514 451 1HB GLN 58 1HB GLN 58 -1.701 6.641 6.901 452 2HB GLN 58 2HB GLN 58 -0.932 7.487 8.235 453 1HG GLN 58 1HG GLN 58 -2.734 9.155 8.188 454 2HG GLN 58 2HG GLN 58 -3.514 8.250 6.892 455 1HE2 GLN 58 1HE2 GLN 58 -2.684 5.689 8.068 456 2HE2 GLN 58 2HE2 GLN 58 -3.739 5.424 9.415 457 H GLY 59 H GLY 59 0.849 8.854 8.273 458 1HA GLY 59 1HA GLY 59 0.684 11.782 8.131 459 2HA GLY 59 2HA GLY 59 0.303 10.992 9.654 460 H THR 60 H THR 60 2.819 10.079 7.346 461 HA THR 60 HA THR 60 4.795 10.242 9.446 462 HB THR 60 HB THR 60 6.344 9.476 7.547 463 HG1 THR 60 HG1 THR 60 5.408 8.929 5.656 464 1HG2 THR 60 1HG2 THR 60 5.490 7.167 7.661 465 2HG2 THR 60 2HG2 THR 60 3.979 7.772 8.342 466 3HG2 THR 60 3HG2 THR 60 5.485 7.949 9.244 467 H GLY 61 H GLY 61 3.560 12.442 7.276 468 1HA GLY 61 1HA GLY 61 4.287 14.702 7.261 469 2HA GLY 61 2HA GLY 61 5.914 14.151 7.636 470 H LEU 62 H LEU 62 5.073 12.044 5.373 471 HA LEU 62 HA LEU 62 6.084 13.751 3.209 472 1HB LEU 62 1HB LEU 62 6.238 10.746 3.496 473 2HB LEU 62 2HB LEU 62 6.953 11.700 2.212 474 HG LEU 62 HG LEU 62 7.756 11.811 5.122 475 1HD1 LEU 62 1HD1 LEU 62 9.832 10.751 4.339 476 2HD1 LEU 62 2HD1 LEU 62 9.116 10.574 2.736 477 3HD1 LEU 62 3HD1 LEU 62 8.422 9.716 4.113 478 1HD2 LEU 62 1HD2 LEU 62 8.915 13.162 2.692 479 2HD2 LEU 62 2HD2 LEU 62 9.643 13.158 4.297 480 3HD2 LEU 62 3HD2 LEU 62 8.089 13.948 4.036 481 H ARG 63 H ARG 63 5.263 13.211 1.039 482 HA ARG 63 HA ARG 63 2.494 12.213 1.172 483 1HB ARG 63 1HB ARG 63 3.683 14.404 -0.518 484 2HB ARG 63 2HB ARG 63 2.119 13.681 -0.864 485 1HG ARG 63 1HG ARG 63 1.324 14.374 1.350 486 2HG ARG 63 2HG ARG 63 2.885 15.143 1.653 487 1HD ARG 63 1HD ARG 63 1.172 16.745 0.904 488 2HD ARG 63 2HD ARG 63 2.543 16.654 -0.197 489 HE ARG 63 HE ARG 63 0.828 14.922 -1.320 490 1HH1 ARG 63 1HH1 ARG 63 0.366 18.160 -0.084 491 2HH1 ARG 63 2HH1 ARG 63 -0.844 18.582 -1.256 492 1HH2 ARG 63 1HH2 ARG 63 -0.773 15.458 -2.866 493 2HH2 ARG 63 2HH2 ARG 63 -1.497 17.039 -2.848 494 H TYR 64 H TYR 64 1.877 10.688 -0.207 495 HA TYR 64 HA TYR 64 3.910 9.588 -2.002 496 1HB TYR 64 1HB TYR 64 2.650 7.533 -1.970 497 2HB TYR 64 2HB TYR 64 2.821 8.089 -0.309 498 HD1 TYR 64 HD1 TYR 64 0.827 9.356 0.720 499 HD2 TYR 64 HD2 TYR 64 0.547 7.048 -2.840 500 HE1 TYR 64 HE1 TYR 64 -1.612 9.224 1.006 501 HE2 TYR 64 HE2 TYR 64 -1.894 6.907 -2.569 502 HH TYR 64 HH TYR 64 -3.635 8.887 -0.567 503 H GLN 65 H GLN 65 3.519 9.256 -4.164 504 HA GLN 65 HA GLN 65 0.938 10.100 -5.258 505 1HB GLN 65 1HB GLN 65 2.413 12.067 -5.428 506 2HB GLN 65 2HB GLN 65 3.607 11.099 -6.280 507 1HG GLN 65 1HG GLN 65 1.971 10.726 -8.087 508 2HG GLN 65 2HG GLN 65 0.840 11.783 -7.247 509 1HE2 GLN 65 1HE2 GLN 65 1.240 13.997 -7.178 510 2HE2 GLN 65 2HE2 GLN 65 2.381 14.757 -8.241 511 H ILE 66 H ILE 66 0.267 8.805 -6.889 512 HA ILE 66 HA ILE 66 2.231 6.909 -7.973 513 HB ILE 66 HB ILE 66 0.694 5.731 -6.501 514 1HG1 ILE 66 1HG1 ILE 66 0.063 5.160 -9.405 515 2HG1 ILE 66 2HG1 ILE 66 1.498 4.604 -8.552 516 1HG2 ILE 66 1HG2 ILE 66 -1.705 5.621 -6.957 517 2HG2 ILE 66 2HG2 ILE 66 -1.511 6.789 -8.263 518 3HG2 ILE 66 3HG2 ILE 66 -1.191 7.269 -6.597 519 1HD1 ILE 66 1HD1 ILE 66 0.100 3.287 -7.054 520 2HD1 ILE 66 2HD1 ILE 66 -0.165 2.845 -8.739 521 3HD1 ILE 66 3HD1 ILE 66 -1.342 3.854 -7.898 522 H ASP 67 H ASP 67 2.366 6.717 -10.109 523 HA ASP 67 HA ASP 67 0.201 7.572 -11.847 524 1HB ASP 67 1HB ASP 67 1.543 9.637 -11.484 525 2HB ASP 67 2HB ASP 67 2.969 8.790 -12.078 526 H GLY 68 H GLY 68 -0.017 5.975 -13.281 527 1HA GLY 68 1HA GLY 68 0.488 4.173 -14.614 528 2HA GLY 68 2HA GLY 68 2.124 4.812 -14.718 529 H ASN 69 H ASN 69 3.700 3.724 -13.754 530 HA ASN 69 HA ASN 69 2.988 1.920 -11.542 531 1HB ASN 69 1HB ASN 69 4.707 0.333 -12.315 532 2HB ASN 69 2HB ASN 69 3.435 0.545 -13.509 533 1HD2 ASN 69 1HD2 ASN 69 6.765 1.137 -12.731 534 2HD2 ASN 69 2HD2 ASN 69 7.271 1.600 -14.319 535 H THR 70 H THR 70 4.029 4.700 -11.764 536 HA THR 70 HA THR 70 6.633 4.347 -10.446 537 HB THR 70 HB THR 70 5.454 6.864 -11.651 538 HG1 THR 70 HG1 THR 70 7.505 6.261 -13.050 539 1HG2 THR 70 1HG2 THR 70 7.724 7.768 -11.417 540 2HG2 THR 70 2HG2 THR 70 8.232 6.279 -10.617 541 3HG2 THR 70 3HG2 THR 70 7.043 7.332 -9.850 542 H VAL 71 H VAL 71 6.896 4.885 -8.391 543 HA VAL 71 HA VAL 71 4.627 6.103 -6.951 544 HB VAL 71 HB VAL 71 6.797 4.339 -5.802 545 1HG1 VAL 71 1HG1 VAL 71 5.319 4.191 -3.856 546 2HG1 VAL 71 2HG1 VAL 71 4.184 5.292 -4.636 547 3HG1 VAL 71 3HG1 VAL 71 5.792 5.858 -4.187 548 1HG2 VAL 71 1HG2 VAL 71 5.469 3.035 -7.351 549 2HG2 VAL 71 2HG2 VAL 71 3.982 3.600 -6.591 550 3HG2 VAL 71 3HG2 VAL 71 5.092 2.568 -5.692 551 H THR 72 H THR 72 5.011 8.126 -6.285 552 HA THR 72 HA THR 72 7.814 9.011 -6.087 553 HB THR 72 HB THR 72 5.348 10.715 -6.503 554 HG1 THR 72 HG1 THR 72 6.461 9.103 -8.220 555 1HG2 THR 72 1HG2 THR 72 6.952 12.453 -7.150 556 2HG2 THR 72 2HG2 THR 72 8.287 11.354 -6.802 557 3HG2 THR 72 3HG2 THR 72 7.241 11.909 -5.495 558 H VAL 73 H VAL 73 8.570 9.717 -4.190 559 HA VAL 73 HA VAL 73 6.639 10.194 -2.010 560 HB VAL 73 HB VAL 73 9.512 9.273 -1.746 561 1HG1 VAL 73 1HG1 VAL 73 7.354 9.613 0.337 562 2HG1 VAL 73 2HG1 VAL 73 8.772 10.644 0.134 563 3HG1 VAL 73 3HG1 VAL 73 8.970 8.959 0.622 564 1HG2 VAL 73 1HG2 VAL 73 6.942 7.739 -1.353 565 2HG2 VAL 73 2HG2 VAL 73 8.562 7.136 -1.003 566 3HG2 VAL 73 3HG2 VAL 73 8.099 7.509 -2.663 567 H THR 74 H THR 74 6.391 12.326 -1.840 568 HA THR 74 HA THR 74 8.783 14.029 -2.056 569 HB THR 74 HB THR 74 7.044 14.472 -3.764 570 HG1 THR 74 HG1 THR 74 6.970 16.738 -3.371 571 1HG2 THR 74 1HG2 THR 74 5.315 15.248 -1.412 572 2HG2 THR 74 2HG2 THR 74 5.055 13.867 -2.479 573 3HG2 THR 74 3HG2 THR 74 4.921 15.510 -3.110 574 H ALA 75 H ALA 75 9.001 15.777 -0.558 575 HA ALA 75 HA ALA 75 8.111 15.017 2.077 576 1HB ALA 75 1HB ALA 75 9.973 17.212 1.197 577 2HB ALA 75 2HB ALA 75 10.444 15.591 1.707 578 3HB ALA 75 3HB ALA 75 9.698 16.695 2.861 579 H SER 76 H SER 76 7.223 16.522 3.586 580 HA SER 76 HA SER 76 6.193 19.053 2.816 581 1HB SER 76 1HB SER 76 4.565 17.519 1.664 582 2HB SER 76 2HB SER 76 4.147 16.853 3.242 583 HG SER 76 HG SER 76 2.760 18.605 2.404 584 H ALA 77 H ALA 77 4.025 19.001 4.718 585 HA ALA 77 HA ALA 77 3.559 19.234 6.918 586 1HB ALA 77 1HB ALA 77 4.453 17.632 8.506 587 2HB ALA 77 2HB ALA 77 5.672 17.125 7.337 588 3HB ALA 77 3HB ALA 77 3.964 16.826 7.015 589 H ALA 78 H ALA 78 4.467 21.372 6.621 590 HA ALA 78 HA ALA 78 7.020 21.804 7.990 591 1HB ALA 78 1HB ALA 78 5.246 23.749 6.511 592 2HB ALA 78 2HB ALA 78 6.695 22.972 5.872 593 3HB ALA 78 3HB ALA 78 6.826 24.119 7.206 594 H ALA 79 H ALA 79 5.503 20.857 9.809 595 HA ALA 79 HA ALA 79 4.429 21.105 11.777 596 1HB ALA 79 1HB ALA 79 5.442 23.939 11.628 597 2HB ALA 79 2HB ALA 79 6.331 22.559 12.272 598 3HB ALA 79 3HB ALA 79 4.862 23.116 13.075 599 H LYS 80 H LYS 80 3.708 24.451 11.500 600 HA LYS 80 HA LYS 80 0.978 23.822 10.575 601 1HB LYS 80 1HB LYS 80 1.855 25.922 12.576 602 2HB LYS 80 2HB LYS 80 0.233 25.810 11.911 603 1HG LYS 80 1HG LYS 80 0.079 24.790 14.002 604 2HG LYS 80 2HG LYS 80 0.193 23.441 12.871 605 1HD LYS 80 1HD LYS 80 2.587 23.241 13.362 606 2HD LYS 80 2HD LYS 80 2.465 24.590 14.495 607 1HE LYS 80 1HE LYS 80 1.041 21.938 14.723 608 2HE LYS 80 2HE LYS 80 2.444 22.445 15.663 609 1HZ LYS 80 1HZ LYS 80 0.566 22.810 17.015 610 2HZ LYS 80 2HZ LYS 80 -0.307 23.548 15.765 611 3HZ LYS 80 3HZ LYS 80 1.022 24.346 16.457 612 H ASP 81 H ASP 81 2.986 24.302 8.803 613 HA ASP 81 HA ASP 81 3.636 25.551 7.026 614 1HB ASP 81 1HB ASP 81 1.198 25.815 6.647 615 2HB ASP 81 2HB ASP 81 1.209 27.252 7.661 616 H GLY 82 H GLY 82 4.977 25.939 9.305 617 1HA GLY 82 1HA GLY 82 5.944 28.638 9.065 618 2HA GLY 82 2HA GLY 82 5.110 28.333 10.585 Start of MODEL 6 1 1H SER 1 1H SER 1 -7.691 -3.784 -10.582 2 2H SER 1 2H SER 1 -8.311 -2.263 -10.152 3 3H SER 1 3H SER 1 -8.863 -3.657 -9.369 4 HA SER 1 HA SER 1 -6.101 -2.618 -9.248 5 1HB SER 1 1HB SER 1 -8.331 -2.541 -7.198 6 2HB SER 1 2HB SER 1 -6.663 -2.041 -6.909 7 HG SER 1 HG SER 1 -6.985 -0.252 -7.998 8 H GLN 2 H GLN 2 -4.980 -4.485 -9.400 9 HA GLN 2 HA GLN 2 -5.783 -6.889 -8.067 10 1HB GLN 2 1HB GLN 2 -4.407 -6.977 -10.094 11 2HB GLN 2 2HB GLN 2 -3.121 -6.102 -9.272 12 1HG GLN 2 1HG GLN 2 -2.783 -7.943 -7.752 13 2HG GLN 2 2HG GLN 2 -4.151 -8.808 -8.450 14 1HE2 GLN 2 1HE2 GLN 2 -2.924 -10.562 -9.001 15 2HE2 GLN 2 2HE2 GLN 2 -1.791 -10.533 -10.317 16 H GLU 3 H GLU 3 -5.059 -7.724 -6.149 17 HA GLU 3 HA GLU 3 -3.606 -5.836 -4.433 18 1HB GLU 3 1HB GLU 3 -5.562 -8.036 -3.758 19 2HB GLU 3 2HB GLU 3 -4.602 -7.191 -2.549 20 1HG GLU 3 1HG GLU 3 -5.656 -5.105 -3.099 21 2HG GLU 3 2HG GLU 3 -6.510 -5.849 -4.448 22 H TRP 4 H TRP 4 -2.030 -6.708 -2.979 23 HA TRP 4 HA TRP 4 -0.779 -9.152 -4.042 24 1HB TRP 4 1HB TRP 4 0.602 -6.536 -3.404 25 2HB TRP 4 2HB TRP 4 1.432 -8.038 -3.786 26 HD1 TRP 4 HD1 TRP 4 1.118 -8.975 -6.334 27 HE1 TRP 4 HE1 TRP 4 0.732 -7.696 -8.533 28 HE3 TRP 4 HE3 TRP 4 -0.466 -4.518 -4.401 29 HZ2 TRP 4 HZ2 TRP 4 -0.131 -5.129 -9.338 30 HZ3 TRP 4 HZ3 TRP 4 -1.049 -2.703 -5.954 31 HH2 TRP 4 HH2 TRP 4 -0.884 -3.002 -8.369 32 H THR 5 H THR 5 0.598 -10.259 -2.603 33 HA THR 5 HA THR 5 -0.054 -9.862 0.203 34 HB THR 5 HB THR 5 1.657 -12.016 -1.067 35 HG1 THR 5 HG1 THR 5 -0.804 -11.751 -1.559 36 1HG2 THR 5 1HG2 THR 5 1.182 -13.256 1.013 37 2HG2 THR 5 2HG2 THR 5 0.321 -11.850 1.640 38 3HG2 THR 5 3HG2 THR 5 2.055 -11.755 1.325 39 H LEU 6 H LEU 6 1.074 -8.206 0.996 40 HA LEU 6 HA LEU 6 3.893 -7.918 0.209 41 1HB LEU 6 1HB LEU 6 1.962 -5.832 1.232 42 2HB LEU 6 2HB LEU 6 3.623 -5.540 0.752 43 HG LEU 6 HG LEU 6 1.452 -6.513 -1.110 44 1HD1 LEU 6 1HD1 LEU 6 2.634 -3.760 -0.779 45 2HD1 LEU 6 2HD1 LEU 6 0.993 -4.246 -0.351 46 3HD1 LEU 6 3HD1 LEU 6 1.505 -4.253 -2.040 47 1HD2 LEU 6 1HD2 LEU 6 4.253 -5.531 -1.644 48 2HD2 LEU 6 2HD2 LEU 6 3.060 -5.966 -2.868 49 3HD2 LEU 6 3HD2 LEU 6 3.695 -7.199 -1.779 50 H ASP 7 H ASP 7 5.160 -8.751 1.734 51 HA ASP 7 HA ASP 7 4.559 -8.235 4.549 52 1HB ASP 7 1HB ASP 7 5.249 -10.535 3.939 53 2HB ASP 7 2HB ASP 7 6.761 -9.901 3.299 54 H ILE 8 H ILE 8 5.080 -6.171 4.956 55 HA ILE 8 HA ILE 8 7.453 -5.029 3.678 56 HB ILE 8 HB ILE 8 5.154 -3.683 5.102 57 1HG1 ILE 8 1HG1 ILE 8 4.497 -4.671 2.962 58 2HG1 ILE 8 2HG1 ILE 8 4.514 -2.914 2.848 59 1HG2 ILE 8 1HG2 ILE 8 6.084 -1.582 4.210 60 2HG2 ILE 8 2HG2 ILE 8 7.482 -2.475 3.610 61 3HG2 ILE 8 3HG2 ILE 8 7.181 -2.371 5.346 62 1HD1 ILE 8 1HD1 ILE 8 5.444 -3.926 0.854 63 2HD1 ILE 8 2HD1 ILE 8 6.646 -4.778 1.822 64 3HD1 ILE 8 3HD1 ILE 8 6.685 -3.017 1.719 65 HA PRO 9 HA PRO 9 9.778 -5.444 7.469 66 1HB PRO 9 1HB PRO 9 11.346 -3.289 6.146 67 2HB PRO 9 2HB PRO 9 11.893 -4.824 6.830 68 1HG PRO 9 1HG PRO 9 11.726 -4.491 4.197 69 2HG PRO 9 2HG PRO 9 11.274 -6.032 4.951 70 1HD PRO 9 1HD PRO 9 9.530 -3.853 3.884 71 2HD PRO 9 2HD PRO 9 9.305 -5.613 3.825 72 H ALA 10 H ALA 10 10.346 -4.174 9.258 73 HA ALA 10 HA ALA 10 8.856 -1.634 9.463 74 1HB ALA 10 1HB ALA 10 8.522 -2.119 11.827 75 2HB ALA 10 2HB ALA 10 9.428 -3.623 11.667 76 3HB ALA 10 3HB ALA 10 7.885 -3.431 10.837 77 H GLN 11 H GLN 11 11.510 -2.028 8.546 78 HA GLN 11 HA GLN 11 13.103 -0.773 10.670 79 1HB GLN 11 1HB GLN 11 15.073 -1.676 9.465 80 2HB GLN 11 2HB GLN 11 13.987 -2.945 10.017 81 1HG GLN 11 1HG GLN 11 12.981 -2.907 7.700 82 2HG GLN 11 2HG GLN 11 14.345 -1.899 7.226 83 1HE2 GLN 11 1HE2 GLN 11 13.303 -5.046 8.205 84 2HE2 GLN 11 2HE2 GLN 11 14.757 -5.886 7.776 85 H SER 12 H SER 12 15.191 0.020 8.885 86 HA SER 12 HA SER 12 14.486 2.542 8.085 87 1HB SER 12 1HB SER 12 16.811 1.605 8.184 88 2HB SER 12 2HB SER 12 16.497 0.768 6.667 89 HG SER 12 HG SER 12 17.493 3.102 6.873 90 H MET 13 H MET 13 13.267 3.378 6.573 91 HA MET 13 HA MET 13 11.561 2.026 4.910 92 1HB MET 13 1HB MET 13 12.664 4.802 4.818 93 2HB MET 13 2HB MET 13 11.608 4.241 3.531 94 1HG MET 13 1HG MET 13 9.875 3.759 5.167 95 2HG MET 13 2HG MET 13 10.936 4.318 6.458 96 1HE MET 13 1HE MET 13 7.973 5.410 5.999 97 2HE MET 13 2HE MET 13 8.232 7.135 6.271 98 3HE MET 13 3HE MET 13 9.036 5.948 7.299 99 H ASN 14 H ASN 14 14.902 2.734 4.333 100 HA ASN 14 HA ASN 14 15.017 2.568 1.558 101 1HB ASN 14 1HB ASN 14 17.029 1.673 3.627 102 2HB ASN 14 2HB ASN 14 17.367 1.746 1.898 103 1HD2 ASN 14 1HD2 ASN 14 16.979 3.528 4.812 104 2HD2 ASN 14 2HD2 ASN 14 17.422 5.081 4.172 105 H SER 15 H SER 15 14.798 0.023 3.995 106 HA SER 15 HA SER 15 15.246 -2.082 2.066 107 1HB SER 15 1HB SER 15 14.234 -2.328 4.919 108 2HB SER 15 2HB SER 15 14.973 -3.589 3.925 109 HG SER 15 HG SER 15 16.919 -2.410 3.951 110 H ALA 16 H ALA 16 12.553 -0.798 3.956 111 HA ALA 16 HA ALA 16 10.620 -2.660 3.139 112 1HB ALA 16 1HB ALA 16 10.366 -1.258 5.112 113 2HB ALA 16 2HB ALA 16 8.987 -1.090 4.025 114 3HB ALA 16 3HB ALA 16 10.221 0.170 4.088 115 H LEU 17 H LEU 17 11.394 0.575 1.876 116 HA LEU 17 HA LEU 17 9.301 0.571 -0.042 117 1HB LEU 17 1HB LEU 17 11.843 2.196 0.067 118 2HB LEU 17 2HB LEU 17 10.505 2.501 -1.022 119 HG LEU 17 HG LEU 17 10.365 2.653 1.989 120 1HD1 LEU 17 1HD1 LEU 17 11.681 4.461 1.022 121 2HD1 LEU 17 2HD1 LEU 17 10.144 5.053 1.651 122 3HD1 LEU 17 3HD1 LEU 17 10.363 4.840 -0.086 123 1HD2 LEU 17 1HD2 LEU 17 8.311 3.308 -0.120 124 2HD2 LEU 17 2HD2 LEU 17 8.145 3.616 1.609 125 3HD2 LEU 17 3HD2 LEU 17 8.251 1.959 1.013 126 H GLN 18 H GLN 18 12.720 -0.328 -0.175 127 HA GLN 18 HA GLN 18 12.865 -0.908 -2.912 128 1HB GLN 18 1HB GLN 18 14.802 -0.826 -1.334 129 2HB GLN 18 2HB GLN 18 14.271 -2.362 -0.662 130 1HG GLN 18 1HG GLN 18 16.054 -2.771 -2.188 131 2HG GLN 18 2HG GLN 18 14.561 -3.388 -2.896 132 1HE2 GLN 18 1HE2 GLN 18 17.037 -0.962 -3.072 133 2HE2 GLN 18 2HE2 GLN 18 16.630 -0.379 -4.656 134 H ALA 19 H ALA 19 11.854 -2.890 -0.172 135 HA ALA 19 HA ALA 19 11.381 -5.270 -1.631 136 1HB ALA 19 1HB ALA 19 10.190 -6.040 0.332 137 2HB ALA 19 2HB ALA 19 10.105 -4.394 0.958 138 3HB ALA 19 3HB ALA 19 11.666 -5.205 0.821 139 H LEU 20 H LEU 20 9.352 -2.496 -0.824 140 HA LEU 20 HA LEU 20 6.876 -3.646 -1.606 141 1HB LEU 20 1HB LEU 20 6.991 -1.715 -0.116 142 2HB LEU 20 2HB LEU 20 7.755 -0.763 -1.371 143 HG LEU 20 HG LEU 20 5.679 -0.931 -2.720 144 1HD1 LEU 20 1HD1 LEU 20 3.626 -1.696 -1.636 145 2HD1 LEU 20 2HD1 LEU 20 4.560 -2.220 -0.234 146 3HD1 LEU 20 3HD1 LEU 20 4.800 -3.002 -1.798 147 1HD2 LEU 20 1HD2 LEU 20 5.358 0.213 0.054 148 2HD2 LEU 20 2HD2 LEU 20 4.367 0.624 -1.348 149 3HD2 LEU 20 3HD2 LEU 20 6.086 1.022 -1.335 150 H ALA 21 H ALA 21 9.371 -1.788 -3.203 151 HA ALA 21 HA ALA 21 7.942 -1.138 -5.567 152 1HB ALA 21 1HB ALA 21 9.936 0.094 -4.898 153 2HB ALA 21 2HB ALA 21 10.141 -0.596 -6.508 154 3HB ALA 21 3HB ALA 21 10.919 -1.354 -5.117 155 H LYS 22 H LYS 22 10.285 -3.669 -4.775 156 HA LYS 22 HA LYS 22 10.329 -4.916 -7.280 157 1HB LYS 22 1HB LYS 22 12.057 -5.355 -5.666 158 2HB LYS 22 2HB LYS 22 10.889 -6.003 -4.521 159 1HG LYS 22 1HG LYS 22 12.135 -7.795 -5.562 160 2HG LYS 22 2HG LYS 22 10.440 -7.870 -6.044 161 1HD LYS 22 1HD LYS 22 11.040 -6.697 -8.146 162 2HD LYS 22 2HD LYS 22 12.736 -6.778 -7.667 163 1HE LYS 22 1HE LYS 22 10.903 -9.128 -8.143 164 2HE LYS 22 2HE LYS 22 12.184 -8.573 -9.220 165 1HZ LYS 22 1HZ LYS 22 13.763 -9.008 -7.364 166 2HZ LYS 22 2HZ LYS 22 13.009 -10.401 -7.982 167 3HZ LYS 22 3HZ LYS 22 12.489 -9.742 -6.508 168 H GLN 23 H GLN 23 8.367 -5.644 -4.401 169 HA GLN 23 HA GLN 23 7.281 -8.028 -5.478 170 1HB GLN 23 1HB GLN 23 6.364 -6.295 -3.189 171 2HB GLN 23 2HB GLN 23 5.672 -7.866 -3.573 172 1HG GLN 23 1HG GLN 23 7.838 -8.919 -3.217 173 2HG GLN 23 2HG GLN 23 8.549 -7.348 -2.862 174 1HE2 GLN 23 1HE2 GLN 23 5.352 -8.251 -1.797 175 2HE2 GLN 23 2HE2 GLN 23 5.740 -8.363 -0.123 176 H THR 24 H THR 24 6.424 -4.731 -5.976 177 HA THR 24 HA THR 24 3.885 -5.608 -7.194 178 HB THR 24 HB THR 24 3.170 -3.211 -7.006 179 HG1 THR 24 HG1 THR 24 5.338 -2.921 -5.183 180 1HG2 THR 24 1HG2 THR 24 2.694 -3.289 -4.605 181 2HG2 THR 24 2HG2 THR 24 3.900 -4.562 -4.407 182 3HG2 THR 24 3HG2 THR 24 2.444 -4.867 -5.356 183 H ASP 25 H ASP 25 6.906 -5.052 -7.989 184 HA ASP 25 HA ASP 25 8.155 -4.155 -9.655 185 1HB ASP 25 1HB ASP 25 6.679 -5.956 -10.786 186 2HB ASP 25 2HB ASP 25 5.814 -4.592 -11.490 187 H THR 26 H THR 26 7.320 -2.146 -8.247 188 HA THR 26 HA THR 26 6.174 -0.193 -10.124 189 HB THR 26 HB THR 26 5.703 1.143 -8.005 190 HG1 THR 26 HG1 THR 26 5.650 -1.235 -6.564 191 1HG2 THR 26 1HG2 THR 26 3.954 -0.032 -9.268 192 2HG2 THR 26 2HG2 THR 26 3.638 -0.070 -7.532 193 3HG2 THR 26 3HG2 THR 26 4.282 -1.498 -8.345 194 H GLN 27 H GLN 27 6.980 1.974 -9.996 195 HA GLN 27 HA GLN 27 9.840 2.079 -9.338 196 1HB GLN 27 1HB GLN 27 9.184 2.606 -11.679 197 2HB GLN 27 2HB GLN 27 8.189 3.925 -11.082 198 1HG GLN 27 1HG GLN 27 10.117 5.089 -10.271 199 2HG GLN 27 2HG GLN 27 11.164 3.727 -10.671 200 1HE2 GLN 27 1HE2 GLN 27 11.663 3.308 -12.815 201 2HE2 GLN 27 2HE2 GLN 27 11.437 4.495 -14.063 202 H LEU 28 H LEU 28 10.186 2.895 -7.362 203 HA LEU 28 HA LEU 28 8.267 4.859 -6.332 204 1HB LEU 28 1HB LEU 28 10.270 3.126 -4.883 205 2HB LEU 28 2HB LEU 28 9.250 4.320 -4.107 206 HG LEU 28 HG LEU 28 8.326 1.810 -5.506 207 1HD1 LEU 28 1HD1 LEU 28 9.334 1.442 -3.309 208 2HD1 LEU 28 2HD1 LEU 28 7.599 1.126 -3.289 209 3HD1 LEU 28 3HD1 LEU 28 8.229 2.626 -2.605 210 1HD2 LEU 28 1HD2 LEU 28 6.081 2.433 -4.718 211 2HD2 LEU 28 2HD2 LEU 28 6.725 3.588 -5.888 212 3HD2 LEU 28 3HD2 LEU 28 6.720 3.986 -4.168 213 H LEU 29 H LEU 29 8.839 6.893 -6.314 214 HA LEU 29 HA LEU 29 11.696 7.575 -6.432 215 1HB LEU 29 1HB LEU 29 9.968 8.406 -8.170 216 2HB LEU 29 2HB LEU 29 9.386 9.459 -6.900 217 HG LEU 29 HG LEU 29 10.922 10.574 -8.505 218 1HD1 LEU 29 1HD1 LEU 29 10.673 11.472 -6.254 219 2HD1 LEU 29 2HD1 LEU 29 12.318 11.696 -6.853 220 3HD1 LEU 29 3HD1 LEU 29 11.971 10.423 -5.681 221 1HD2 LEU 29 1HD2 LEU 29 12.381 8.678 -8.963 222 2HD2 LEU 29 2HD2 LEU 29 12.997 8.744 -7.311 223 3HD2 LEU 29 3HD2 LEU 29 13.304 10.081 -8.421 224 H TYR 30 H TYR 30 12.479 7.849 -4.444 225 HA TYR 30 HA TYR 30 11.068 9.638 -2.627 226 1HB TYR 30 1HB TYR 30 11.325 8.146 -0.721 227 2HB TYR 30 2HB TYR 30 10.379 7.354 -1.974 228 HD1 TYR 30 HD1 TYR 30 11.363 5.492 -3.277 229 HD2 TYR 30 HD2 TYR 30 13.464 7.289 -0.039 230 HE1 TYR 30 HE1 TYR 30 12.873 3.553 -3.185 231 HE2 TYR 30 HE2 TYR 30 14.978 5.354 0.056 232 HH TYR 30 HH TYR 30 14.994 2.991 -0.586 233 H SER 31 H SER 31 12.438 10.590 -1.041 234 HA SER 31 HA SER 31 15.252 10.591 -1.830 235 1HB SER 31 1HB SER 31 14.245 12.769 -1.836 236 2HB SER 31 2HB SER 31 13.557 12.521 -0.232 237 HG SER 31 HG SER 31 15.361 13.780 -0.004 238 HA PRO 32 HA PRO 32 15.989 7.991 1.791 239 1HB PRO 32 1HB PRO 32 18.777 8.533 0.938 240 2HB PRO 32 2HB PRO 32 17.980 6.990 1.258 241 1HG PRO 32 1HG PRO 32 18.521 7.759 -1.235 242 2HG PRO 32 2HG PRO 32 17.020 6.898 -0.851 243 1HD PRO 32 1HD PRO 32 17.459 9.807 -1.372 244 2HD PRO 32 2HD PRO 32 16.111 8.762 -1.865 245 H GLU 33 H GLU 33 17.415 11.072 0.960 246 HA GLU 33 HA GLU 33 18.569 11.545 3.537 247 1HB GLU 33 1HB GLU 33 17.963 13.502 1.317 248 2HB GLU 33 2HB GLU 33 19.010 13.797 2.701 249 1HG GLU 33 1HG GLU 33 20.425 11.885 1.910 250 2HG GLU 33 2HG GLU 33 19.451 11.861 0.443 251 H ASP 34 H ASP 34 15.450 12.063 2.088 252 HA ASP 34 HA ASP 34 14.677 13.984 4.133 253 1HB ASP 34 1HB ASP 34 13.292 12.902 1.699 254 2HB ASP 34 2HB ASP 34 12.405 13.803 2.926 255 H ILE 35 H ILE 35 14.414 10.591 3.551 256 HA ILE 35 HA ILE 35 12.442 10.285 5.667 257 HB ILE 35 HB ILE 35 12.799 7.827 5.300 258 1HG1 ILE 35 1HG1 ILE 35 14.503 8.779 2.986 259 2HG1 ILE 35 2HG1 ILE 35 15.106 7.978 4.432 260 1HG2 ILE 35 1HG2 ILE 35 11.576 7.729 3.217 261 2HG2 ILE 35 2HG2 ILE 35 12.067 9.379 2.823 262 3HG2 ILE 35 3HG2 ILE 35 10.999 9.080 4.196 263 1HD1 ILE 35 1HD1 ILE 35 13.209 6.755 2.437 264 2HD1 ILE 35 2HD1 ILE 35 13.923 5.958 3.839 265 3HD1 ILE 35 3HD1 ILE 35 14.950 6.476 2.505 266 H GLY 36 H GLY 36 15.844 10.359 5.242 267 1HA GLY 36 1HA GLY 36 17.532 10.395 6.797 268 2HA GLY 36 2HA GLY 36 16.291 10.421 8.037 269 H GLY 37 H GLY 37 15.732 7.775 6.129 270 1HA GLY 37 1HA GLY 37 16.207 5.532 6.320 271 2HA GLY 37 2HA GLY 37 17.643 5.961 7.238 272 H LEU 38 H LEU 38 14.264 6.753 7.964 273 HA LEU 38 HA LEU 38 14.618 5.517 10.585 274 1HB LEU 38 1HB LEU 38 12.460 6.644 11.145 275 2HB LEU 38 2HB LEU 38 13.768 7.732 10.736 276 HG LEU 38 HG LEU 38 12.701 7.786 8.378 277 1HD1 LEU 38 1HD1 LEU 38 10.278 7.439 8.365 278 2HD1 LEU 38 2HD1 LEU 38 10.368 6.787 10.001 279 3HD1 LEU 38 3HD1 LEU 38 11.154 5.938 8.670 280 1HD2 LEU 38 1HD2 LEU 38 11.256 9.614 9.042 281 2HD2 LEU 38 2HD2 LEU 38 12.756 9.656 9.970 282 3HD2 LEU 38 3HD2 LEU 38 11.275 9.052 10.713 283 H ARG 39 H ARG 39 12.410 4.480 11.404 284 HA ARG 39 HA ARG 39 12.137 2.226 9.623 285 1HB ARG 39 1HB ARG 39 10.838 1.199 11.478 286 2HB ARG 39 2HB ARG 39 12.463 1.685 11.923 287 1HG ARG 39 1HG ARG 39 11.676 3.533 13.158 288 2HG ARG 39 2HG ARG 39 10.052 3.378 12.484 289 1HD ARG 39 1HD ARG 39 10.352 2.509 14.834 290 2HD ARG 39 2HD ARG 39 9.644 1.381 13.678 291 HE ARG 39 HE ARG 39 12.451 1.045 13.781 292 1HH1 ARG 39 1HH1 ARG 39 9.581 0.460 15.697 293 2HH1 ARG 39 2HH1 ARG 39 10.217 -0.977 16.447 294 1HH2 ARG 39 1HH2 ARG 39 13.277 -0.867 14.732 295 2HH2 ARG 39 2HH2 ARG 39 12.317 -1.728 15.894 296 H SER 40 H SER 40 10.444 1.610 8.509 297 HA SER 40 HA SER 40 8.173 3.394 8.270 298 1HB SER 40 1HB SER 40 7.542 1.690 6.463 299 2HB SER 40 2HB SER 40 9.029 2.604 6.202 300 HG SER 40 HG SER 40 8.732 -0.082 7.057 301 H SER 41 H SER 41 5.980 2.421 8.161 302 HA SER 41 HA SER 41 5.503 0.777 10.487 303 1HB SER 41 1HB SER 41 3.490 1.890 8.519 304 2HB SER 41 2HB SER 41 3.182 1.349 10.169 305 HG SER 41 HG SER 41 3.332 3.552 10.263 306 H ALA 42 H ALA 42 5.487 -1.363 10.374 307 HA ALA 42 HA ALA 42 5.701 -2.808 7.974 308 1HB ALA 42 1HB ALA 42 5.481 -4.795 9.373 309 2HB ALA 42 2HB ALA 42 4.945 -3.790 10.721 310 3HB ALA 42 3HB ALA 42 6.588 -3.624 10.096 311 H LEU 43 H LEU 43 4.090 -2.776 6.530 312 HA LEU 43 HA LEU 43 1.375 -3.400 7.481 313 1HB LEU 43 1HB LEU 43 1.737 -1.241 6.237 314 2HB LEU 43 2HB LEU 43 2.191 -2.191 4.835 315 HG LEU 43 HG LEU 43 -0.079 -3.223 4.863 316 1HD1 LEU 43 1HD1 LEU 43 -0.627 -2.887 7.202 317 2HD1 LEU 43 2HD1 LEU 43 -1.835 -2.120 6.170 318 3HD1 LEU 43 3HD1 LEU 43 -0.611 -1.138 6.975 319 1HD2 LEU 43 1HD2 LEU 43 -1.217 -1.282 3.932 320 2HD2 LEU 43 2HD2 LEU 43 0.458 -1.353 3.388 321 3HD2 LEU 43 3HD2 LEU 43 -0.010 -0.216 4.653 322 H LYS 44 H LYS 44 1.822 -5.634 7.595 323 HA LYS 44 HA LYS 44 2.562 -6.927 5.075 324 1HB LYS 44 1HB LYS 44 3.071 -8.911 6.535 325 2HB LYS 44 2HB LYS 44 4.090 -7.504 6.791 326 1HG LYS 44 1HG LYS 44 2.734 -6.918 8.765 327 2HG LYS 44 2HG LYS 44 1.785 -8.384 8.520 328 1HD LYS 44 1HD LYS 44 3.909 -9.694 8.711 329 2HD LYS 44 2HD LYS 44 4.726 -8.195 9.158 330 1HE LYS 44 1HE LYS 44 2.408 -9.441 10.629 331 2HE LYS 44 2HE LYS 44 4.098 -9.530 11.121 332 1HZ LYS 44 1HZ LYS 44 2.568 -6.992 10.829 333 2HZ LYS 44 2HZ LYS 44 4.136 -7.168 11.458 334 3HZ LYS 44 3HZ LYS 44 2.810 -7.804 12.296 335 H GLY 45 H GLY 45 0.934 -7.613 3.914 336 1HA GLY 45 1HA GLY 45 -0.957 -9.493 4.673 337 2HA GLY 45 2HA GLY 45 -1.707 -7.924 4.945 338 H ARG 46 H ARG 46 -3.237 -8.662 3.307 339 HA ARG 46 HA ARG 46 -2.228 -8.600 0.558 340 1HB ARG 46 1HB ARG 46 -3.804 -10.362 0.883 341 2HB ARG 46 2HB ARG 46 -4.915 -9.304 1.743 342 1HG ARG 46 1HG ARG 46 -5.250 -8.037 -0.364 343 2HG ARG 46 2HG ARG 46 -4.252 -9.232 -1.190 344 1HD ARG 46 1HD ARG 46 -5.826 -10.918 -0.917 345 2HD ARG 46 2HD ARG 46 -6.630 -10.084 0.413 346 HE ARG 46 HE ARG 46 -7.120 -8.389 -1.545 347 1HH1 ARG 46 1HH1 ARG 46 -7.317 -11.894 -1.576 348 2HH1 ARG 46 2HH1 ARG 46 -8.567 -11.921 -2.787 349 1HH2 ARG 46 1HH2 ARG 46 -8.752 -8.423 -3.100 350 2HH2 ARG 46 2HH2 ARG 46 -9.394 -9.953 -3.652 351 H HIS 47 H HIS 47 -1.969 -6.609 -0.232 352 HA HIS 47 HA HIS 47 -4.050 -4.605 0.283 353 1HB HIS 47 1HB HIS 47 -1.084 -4.111 0.652 354 2HB HIS 47 2HB HIS 47 -2.340 -2.884 0.746 355 HD1 HIS 47 HD1 HIS 47 -4.109 -3.244 2.782 356 HD2 HIS 47 HD2 HIS 47 -0.510 -5.328 3.006 357 HE1 HIS 47 HE1 HIS 47 -3.886 -3.965 5.182 358 HE2 HIS 47 HE2 HIS 47 -1.647 -5.116 5.326 359 H ASP 48 H ASP 48 -4.262 -3.037 -1.294 360 HA ASP 48 HA ASP 48 -2.998 -3.521 -3.855 361 1HB ASP 48 1HB ASP 48 -5.335 -2.910 -3.906 362 2HB ASP 48 2HB ASP 48 -5.045 -1.496 -2.904 363 H LEU 49 H LEU 49 -1.915 -1.630 -5.004 364 HA LEU 49 HA LEU 49 0.257 -0.706 -3.511 365 1HB LEU 49 1HB LEU 49 0.244 -0.879 -5.965 366 2HB LEU 49 2HB LEU 49 -0.902 0.445 -6.052 367 HG LEU 49 HG LEU 49 0.808 1.947 -5.052 368 1HD1 LEU 49 1HD1 LEU 49 3.138 1.199 -4.973 369 2HD1 LEU 49 2HD1 LEU 49 2.626 -0.437 -5.386 370 3HD1 LEU 49 3HD1 LEU 49 2.123 0.285 -3.858 371 1HD2 LEU 49 1HD2 LEU 49 2.212 2.089 -7.064 372 2HD2 LEU 49 2HD2 LEU 49 0.509 1.868 -7.459 373 3HD2 LEU 49 3HD2 LEU 49 1.624 0.509 -7.575 374 H GLN 50 H GLN 50 -2.618 1.057 -4.627 375 HA GLN 50 HA GLN 50 -2.096 3.523 -3.442 376 1HB GLN 50 1HB GLN 50 -3.835 3.094 -5.134 377 2HB GLN 50 2HB GLN 50 -4.749 2.170 -3.955 378 1HG GLN 50 1HG GLN 50 -4.891 4.263 -2.576 379 2HG GLN 50 2HG GLN 50 -4.209 5.123 -3.956 380 1HE2 GLN 50 1HE2 GLN 50 -6.369 2.400 -4.218 381 2HE2 GLN 50 2HE2 GLN 50 -7.717 3.270 -4.867 382 H SER 51 H SER 51 -3.818 0.699 -2.181 383 HA SER 51 HA SER 51 -4.672 1.820 0.246 384 1HB SER 51 1HB SER 51 -3.981 -1.071 -0.323 385 2HB SER 51 2HB SER 51 -5.045 -0.478 0.955 386 HG SER 51 HG SER 51 -6.440 0.319 -0.667 387 H SER 52 H SER 52 -1.770 -0.055 -0.562 388 HA SER 52 HA SER 52 -0.638 -0.142 1.995 389 1HB SER 52 1HB SER 52 0.832 -0.046 -0.650 390 2HB SER 52 2HB SER 52 1.445 -0.690 0.875 391 HG SER 52 HG SER 52 -0.560 -1.727 -0.821 392 H LEU 53 H LEU 53 -0.251 2.222 -0.626 393 HA LEU 53 HA LEU 53 1.714 3.797 0.588 394 1HB LEU 53 1HB LEU 53 -0.456 4.607 -1.348 395 2HB LEU 53 2HB LEU 53 0.949 5.576 -0.950 396 HG LEU 53 HG LEU 53 1.049 2.869 -2.283 397 1HD1 LEU 53 1HD1 LEU 53 1.398 5.632 -3.445 398 2HD1 LEU 53 2HD1 LEU 53 0.035 4.549 -3.728 399 3HD1 LEU 53 3HD1 LEU 53 1.643 4.107 -4.299 400 1HD2 LEU 53 1HD2 LEU 53 3.396 3.447 -2.703 401 2HD2 LEU 53 2HD2 LEU 53 3.044 3.347 -0.978 402 3HD2 LEU 53 3HD2 LEU 53 3.198 4.922 -1.757 403 H ARG 54 H ARG 54 -1.831 4.120 0.639 404 HA ARG 54 HA ARG 54 -1.898 6.596 1.947 405 1HB ARG 54 1HB ARG 54 -3.916 4.388 1.702 406 2HB ARG 54 2HB ARG 54 -4.269 5.872 2.579 407 1HG ARG 54 1HG ARG 54 -3.756 7.159 0.531 408 2HG ARG 54 2HG ARG 54 -3.523 5.637 -0.330 409 1HD ARG 54 1HD ARG 54 -5.817 5.018 0.035 410 2HD ARG 54 2HD ARG 54 -6.073 6.423 1.069 411 HE ARG 54 HE ARG 54 -5.196 7.336 -1.425 412 1HH1 ARG 54 1HH1 ARG 54 -7.989 5.708 -0.049 413 2HH1 ARG 54 2HH1 ARG 54 -9.101 6.393 -1.199 414 1HH2 ARG 54 1HH2 ARG 54 -6.682 8.219 -2.937 415 2HH2 ARG 54 2HH2 ARG 54 -8.367 7.810 -2.815 416 H ILE 55 H ILE 55 -1.974 3.308 3.305 417 HA ILE 55 HA ILE 55 -2.480 4.164 5.962 418 HB ILE 55 HB ILE 55 -1.167 1.597 5.061 419 1HG1 ILE 55 1HG1 ILE 55 -4.071 2.210 5.677 420 2HG1 ILE 55 2HG1 ILE 55 -3.405 1.979 4.064 421 1HG2 ILE 55 1HG2 ILE 55 -0.782 2.036 7.420 422 2HG2 ILE 55 2HG2 ILE 55 -1.947 0.725 7.237 423 3HG2 ILE 55 3HG2 ILE 55 -2.499 2.345 7.667 424 1HD1 ILE 55 1HD1 ILE 55 -4.550 -0.013 4.794 425 2HD1 ILE 55 2HD1 ILE 55 -3.552 -0.088 6.247 426 3HD1 ILE 55 3HD1 ILE 55 -2.819 -0.331 4.660 427 H LEU 56 H LEU 56 0.509 3.452 4.195 428 HA LEU 56 HA LEU 56 2.233 3.864 6.432 429 1HB LEU 56 1HB LEU 56 2.727 2.591 4.275 430 2HB LEU 56 2HB LEU 56 2.953 4.153 3.516 431 HG LEU 56 HG LEU 56 4.568 3.411 5.937 432 1HD1 LEU 56 1HD1 LEU 56 4.820 1.557 4.365 433 2HD1 LEU 56 2HD1 LEU 56 6.295 2.519 4.461 434 3HD1 LEU 56 3HD1 LEU 56 5.215 2.697 3.077 435 1HD2 LEU 56 1HD2 LEU 56 5.128 5.160 3.544 436 2HD2 LEU 56 2HD2 LEU 56 6.187 4.927 4.934 437 3HD2 LEU 56 3HD2 LEU 56 4.630 5.729 5.137 438 H LEU 57 H LEU 57 0.906 5.881 3.911 439 HA LEU 57 HA LEU 57 2.568 8.153 4.362 440 1HB LEU 57 1HB LEU 57 1.190 7.487 2.289 441 2HB LEU 57 2HB LEU 57 -0.169 8.207 3.128 442 HG LEU 57 HG LEU 57 1.230 10.327 3.270 443 1HD1 LEU 57 1HD1 LEU 57 3.392 9.347 2.806 444 2HD1 LEU 57 2HD1 LEU 57 2.990 10.545 1.576 445 3HD1 LEU 57 3HD1 LEU 57 2.837 8.825 1.214 446 1HD2 LEU 57 1HD2 LEU 57 0.394 9.303 0.562 447 2HD2 LEU 57 2HD2 LEU 57 0.630 10.995 1.000 448 3HD2 LEU 57 3HD2 LEU 57 -0.662 10.061 1.756 449 H GLN 58 H GLN 58 -0.034 6.849 6.047 450 HA GLN 58 HA GLN 58 -1.534 9.079 6.818 451 1HB GLN 58 1HB GLN 58 -2.213 6.720 7.183 452 2HB GLN 58 2HB GLN 58 -1.012 6.600 8.464 453 1HG GLN 58 1HG GLN 58 -2.166 8.328 9.724 454 2HG GLN 58 2HG GLN 58 -3.354 8.486 8.432 455 1HE2 GLN 58 1HE2 GLN 58 -3.691 7.797 11.235 456 2HE2 GLN 58 2HE2 GLN 58 -4.511 6.270 11.248 457 H GLY 59 H GLY 59 1.521 7.867 8.055 458 1HA GLY 59 1HA GLY 59 1.431 9.974 10.125 459 2HA GLY 59 2HA GLY 59 2.255 8.439 10.337 460 H THR 60 H THR 60 2.681 9.689 7.205 461 HA THR 60 HA THR 60 5.374 10.542 7.985 462 HB THR 60 HB THR 60 5.851 10.344 5.495 463 HG1 THR 60 HG1 THR 60 4.016 8.579 4.887 464 1HG2 THR 60 1HG2 THR 60 4.982 7.877 7.006 465 2HG2 THR 60 2HG2 THR 60 6.565 8.653 7.107 466 3HG2 THR 60 3HG2 THR 60 6.046 7.898 5.599 467 H GLY 61 H GLY 61 2.460 11.985 7.289 468 1HA GLY 61 1HA GLY 61 1.794 14.042 6.562 469 2HA GLY 61 2HA GLY 61 3.382 14.570 7.080 470 H LEU 62 H LEU 62 3.238 12.233 4.543 471 HA LEU 62 HA LEU 62 4.166 14.317 2.692 472 1HB LEU 62 1HB LEU 62 4.654 11.335 2.679 473 2HB LEU 62 2HB LEU 62 5.253 12.454 1.469 474 HG LEU 62 HG LEU 62 5.994 12.512 4.395 475 1HD1 LEU 62 1HD1 LEU 62 8.184 11.711 3.630 476 2HD1 LEU 62 2HD1 LEU 62 7.539 11.535 1.998 477 3HD1 LEU 62 3HD1 LEU 62 6.902 10.544 3.310 478 1HD2 LEU 62 1HD2 LEU 62 6.068 14.712 3.352 479 2HD2 LEU 62 2HD2 LEU 62 7.059 14.070 2.043 480 3HD2 LEU 62 3HD2 LEU 62 7.697 14.121 3.687 481 H ARG 63 H ARG 63 3.827 13.428 0.287 482 HA ARG 63 HA ARG 63 1.051 12.481 0.049 483 1HB ARG 63 1HB ARG 63 2.272 14.559 -1.759 484 2HB ARG 63 2HB ARG 63 0.585 14.059 -1.677 485 1HG ARG 63 1HG ARG 63 2.053 15.401 0.560 486 2HG ARG 63 2HG ARG 63 1.080 16.263 -0.630 487 1HD ARG 63 1HD ARG 63 -0.906 15.170 0.120 488 2HD ARG 63 2HD ARG 63 0.021 14.066 1.144 489 HE ARG 63 HE ARG 63 0.422 16.847 1.768 490 1HH1 ARG 63 1HH1 ARG 63 -1.601 14.055 2.409 491 2HH1 ARG 63 2HH1 ARG 63 -2.123 14.636 3.963 492 1HH2 ARG 63 1HH2 ARG 63 -0.227 17.585 3.796 493 2HH2 ARG 63 2HH2 ARG 63 -1.322 16.646 4.762 494 H TYR 64 H TYR 64 0.603 11.584 -2.171 495 HA TYR 64 HA TYR 64 3.059 10.449 -3.335 496 1HB TYR 64 1HB TYR 64 1.884 8.329 -3.745 497 2HB TYR 64 2HB TYR 64 1.978 8.700 -2.030 498 HD1 TYR 64 HD1 TYR 64 -0.005 9.019 -0.734 499 HD2 TYR 64 HD2 TYR 64 -0.283 8.529 -4.951 500 HE1 TYR 64 HE1 TYR 64 -2.432 8.697 -0.530 501 HE2 TYR 64 HE2 TYR 64 -2.713 8.207 -4.757 502 HH TYR 64 HH TYR 64 -4.431 7.918 -3.358 503 H GLN 65 H GLN 65 3.308 10.765 -5.420 504 HA GLN 65 HA GLN 65 0.937 11.344 -7.061 505 1HB GLN 65 1HB GLN 65 3.873 11.876 -7.574 506 2HB GLN 65 2HB GLN 65 2.588 12.193 -8.733 507 1HG GLN 65 1HG GLN 65 1.583 13.796 -7.219 508 2HG GLN 65 2HG GLN 65 2.818 13.453 -6.010 509 1HE2 GLN 65 1HE2 GLN 65 2.091 15.950 -7.364 510 2HE2 GLN 65 2HE2 GLN 65 3.553 16.521 -8.100 511 H ILE 66 H ILE 66 0.165 9.653 -8.138 512 HA ILE 66 HA ILE 66 2.036 7.462 -8.754 513 HB ILE 66 HB ILE 66 0.536 6.765 -7.008 514 1HG1 ILE 66 1HG1 ILE 66 -0.305 5.561 -9.654 515 2HG1 ILE 66 2HG1 ILE 66 1.116 5.101 -8.722 516 1HG2 ILE 66 1HG2 ILE 66 -1.714 7.585 -8.840 517 2HG2 ILE 66 2HG2 ILE 66 -1.263 8.342 -7.313 518 3HG2 ILE 66 3HG2 ILE 66 -1.907 6.700 -7.326 519 1HD1 ILE 66 1HD1 ILE 66 -0.698 3.510 -8.437 520 2HD1 ILE 66 2HD1 ILE 66 -1.743 4.796 -7.835 521 3HD1 ILE 66 3HD1 ILE 66 -0.315 4.317 -6.917 522 H ASP 67 H ASP 67 2.214 6.829 -10.784 523 HA ASP 67 HA ASP 67 0.023 7.273 -12.669 524 1HB ASP 67 1HB ASP 67 1.533 9.262 -12.814 525 2HB ASP 67 2HB ASP 67 2.859 8.181 -13.231 526 H GLY 68 H GLY 68 -0.333 5.352 -13.588 527 1HA GLY 68 1HA GLY 68 0.023 3.234 -14.407 528 2HA GLY 68 2HA GLY 68 1.665 3.746 -14.770 529 H ASN 69 H ASN 69 3.301 2.976 -13.573 530 HA ASN 69 HA ASN 69 2.642 1.625 -11.033 531 1HB ASN 69 1HB ASN 69 4.344 0.669 -13.294 532 2HB ASN 69 2HB ASN 69 4.849 0.278 -11.656 533 1HD2 ASN 69 1HD2 ASN 69 4.492 -1.894 -11.781 534 2HD2 ASN 69 2HD2 ASN 69 2.919 -2.593 -11.950 535 H THR 70 H THR 70 3.736 4.321 -12.053 536 HA THR 70 HA THR 70 6.238 4.372 -10.516 537 HB THR 70 HB THR 70 5.101 6.428 -12.433 538 HG1 THR 70 HG1 THR 70 7.439 5.436 -13.221 539 1HG2 THR 70 1HG2 THR 70 7.782 6.336 -11.035 540 2HG2 THR 70 2HG2 THR 70 6.473 7.462 -10.678 541 3HG2 THR 70 3HG2 THR 70 7.291 7.524 -12.239 542 H VAL 71 H VAL 71 6.293 5.283 -8.585 543 HA VAL 71 HA VAL 71 4.077 7.049 -7.770 544 HB VAL 71 HB VAL 71 5.457 5.078 -5.943 545 1HG1 VAL 71 1HG1 VAL 71 3.561 5.569 -4.448 546 2HG1 VAL 71 2HG1 VAL 71 2.983 6.768 -5.605 547 3HG1 VAL 71 3HG1 VAL 71 4.535 6.996 -4.799 548 1HG2 VAL 71 1HG2 VAL 71 2.780 4.809 -7.304 549 2HG2 VAL 71 2HG2 VAL 71 3.412 3.727 -6.063 550 3HG2 VAL 71 3HG2 VAL 71 4.217 3.841 -7.630 551 H THR 72 H THR 72 4.801 8.993 -7.243 552 HA THR 72 HA THR 72 7.601 9.256 -6.365 553 HB THR 72 HB THR 72 5.809 11.347 -7.630 554 HG1 THR 72 HG1 THR 72 7.098 9.353 -8.763 555 1HG2 THR 72 1HG2 THR 72 8.755 11.410 -6.954 556 2HG2 THR 72 2HG2 THR 72 7.483 12.336 -6.156 557 3HG2 THR 72 3HG2 THR 72 7.882 12.658 -7.841 558 H VAL 73 H VAL 73 7.802 9.562 -4.250 559 HA VAL 73 HA VAL 73 5.602 10.541 -2.647 560 HB VAL 73 HB VAL 73 8.444 9.948 -1.799 561 1HG1 VAL 73 1HG1 VAL 73 5.905 10.152 -0.189 562 2HG1 VAL 73 2HG1 VAL 73 7.202 11.346 -0.230 563 3HG1 VAL 73 3HG1 VAL 73 7.503 9.742 0.439 564 1HG2 VAL 73 1HG2 VAL 73 7.592 7.768 -1.058 565 2HG2 VAL 73 2HG2 VAL 73 7.444 7.971 -2.803 566 3HG2 VAL 73 3HG2 VAL 73 6.025 8.146 -1.772 567 H THR 74 H THR 74 5.271 12.632 -2.161 568 HA THR 74 HA THR 74 7.508 14.505 -2.451 569 HB THR 74 HB THR 74 6.303 14.471 -4.601 570 HG1 THR 74 HG1 THR 74 6.574 16.568 -4.720 571 1HG2 THR 74 1HG2 THR 74 3.912 15.347 -2.970 572 2HG2 THR 74 2HG2 THR 74 4.098 13.802 -3.801 573 3HG2 THR 74 3HG2 THR 74 3.992 15.297 -4.734 574 H ALA 75 H ALA 75 6.942 16.667 -1.593 575 HA ALA 75 HA ALA 75 5.294 16.412 0.803 576 1HB ALA 75 1HB ALA 75 6.526 18.314 1.677 577 2HB ALA 75 2HB ALA 75 7.368 18.494 0.138 578 3HB ALA 75 3HB ALA 75 7.644 17.063 1.131 579 H SER 76 H SER 76 3.334 17.297 0.773 580 HA SER 76 HA SER 76 2.874 19.850 -0.503 581 1HB SER 76 1HB SER 76 1.268 17.434 -1.372 582 2HB SER 76 2HB SER 76 1.060 19.090 -1.933 583 HG SER 76 HG SER 76 3.583 18.488 -2.346 584 H ALA 77 H ALA 77 0.610 20.598 -0.095 585 HA ALA 77 HA ALA 77 -0.715 19.261 2.159 586 1HB ALA 77 1HB ALA 77 0.737 20.967 3.148 587 2HB ALA 77 2HB ALA 77 -0.966 21.386 3.346 588 3HB ALA 77 3HB ALA 77 0.005 22.195 2.115 589 H ALA 78 H ALA 78 -2.940 19.601 2.230 590 HA ALA 78 HA ALA 78 -4.101 20.570 -0.248 591 1HB ALA 78 1HB ALA 78 -6.189 19.640 0.597 592 2HB ALA 78 2HB ALA 78 -5.428 19.325 2.157 593 3HB ALA 78 3HB ALA 78 -4.886 18.455 0.723 594 H ALA 79 H ALA 79 -6.433 21.667 0.339 595 HA ALA 79 HA ALA 79 -7.422 23.656 0.803 596 1HB ALA 79 1HB ALA 79 -5.758 23.549 3.324 597 2HB ALA 79 2HB ALA 79 -7.352 22.823 3.112 598 3HB ALA 79 3HB ALA 79 -7.166 24.577 3.050 599 H LYS 80 H LYS 80 -5.788 24.073 -1.065 600 HA LYS 80 HA LYS 80 -3.605 25.845 -0.352 601 1HB LYS 80 1HB LYS 80 -4.537 24.796 -3.029 602 2HB LYS 80 2HB LYS 80 -3.112 25.799 -2.789 603 1HG LYS 80 1HG LYS 80 -2.151 24.060 -1.349 604 2HG LYS 80 2HG LYS 80 -3.565 23.051 -1.646 605 1HD LYS 80 1HD LYS 80 -1.843 22.295 -3.100 606 2HD LYS 80 2HD LYS 80 -3.017 23.160 -4.088 607 1HE LYS 80 1HE LYS 80 -0.584 24.545 -3.007 608 2HE LYS 80 2HE LYS 80 -0.500 23.583 -4.479 609 1HZ LYS 80 1HZ LYS 80 -0.883 25.937 -4.929 610 2HZ LYS 80 2HZ LYS 80 -2.331 25.884 -4.052 611 3HZ LYS 80 3HZ LYS 80 -2.171 24.982 -5.474 612 H ASP 81 H ASP 81 -5.996 26.913 0.370 613 HA ASP 81 HA ASP 81 -7.139 28.857 0.366 614 1HB ASP 81 1HB ASP 81 -4.956 29.695 -1.545 615 2HB ASP 81 2HB ASP 81 -6.165 30.796 -0.890 616 H GLY 82 H GLY 82 -6.169 29.290 -2.990 617 1HA GLY 82 1HA GLY 82 -7.965 28.258 -4.591 618 2HA GLY 82 2HA GLY 82 -9.013 29.349 -3.691 Start of MODEL 7 1 1H SER 1 1H SER 1 -8.776 -2.247 -9.600 2 2H SER 1 2H SER 1 -8.749 -3.792 -10.292 3 3H SER 1 3H SER 1 -7.411 -3.231 -9.415 4 HA SER 1 HA SER 1 -8.751 -3.145 -7.410 5 1HB SER 1 1HB SER 1 -10.955 -4.567 -7.701 6 2HB SER 1 2HB SER 1 -10.946 -2.839 -8.049 7 HG SER 1 HG SER 1 -11.373 -4.947 -9.718 8 H GLN 2 H GLN 2 -6.645 -4.480 -7.805 9 HA GLN 2 HA GLN 2 -7.364 -7.244 -7.117 10 1HB GLN 2 1HB GLN 2 -5.008 -6.358 -8.794 11 2HB GLN 2 2HB GLN 2 -5.211 -7.980 -8.148 12 1HG GLN 2 1HG GLN 2 -7.373 -8.100 -9.426 13 2HG GLN 2 2HG GLN 2 -6.899 -6.593 -10.209 14 1HE2 GLN 2 1HE2 GLN 2 -4.673 -9.130 -9.274 15 2HE2 GLN 2 2HE2 GLN 2 -4.236 -9.600 -10.884 16 H GLU 3 H GLU 3 -6.028 -8.190 -5.511 17 HA GLU 3 HA GLU 3 -4.718 -6.148 -3.869 18 1HB GLU 3 1HB GLU 3 -5.881 -8.838 -3.134 19 2HB GLU 3 2HB GLU 3 -4.957 -7.842 -2.016 20 1HG GLU 3 1HG GLU 3 -6.611 -6.034 -2.326 21 2HG GLU 3 2HG GLU 3 -7.563 -7.117 -3.342 22 H TRP 4 H TRP 4 -2.741 -6.454 -2.980 23 HA TRP 4 HA TRP 4 -1.111 -8.593 -4.176 24 1HB TRP 4 1HB TRP 4 -0.405 -5.814 -3.234 25 2HB TRP 4 2HB TRP 4 0.822 -7.052 -3.467 26 HD1 TRP 4 HD1 TRP 4 1.518 -7.648 -5.935 27 HE1 TRP 4 HE1 TRP 4 1.061 -6.541 -8.213 28 HE3 TRP 4 HE3 TRP 4 -2.272 -4.499 -4.559 29 HZ2 TRP 4 HZ2 TRP 4 -0.682 -4.606 -9.281 30 HZ3 TRP 4 HZ3 TRP 4 -3.280 -3.058 -6.276 31 HH2 TRP 4 HH2 TRP 4 -2.498 -3.111 -8.589 32 H THR 5 H THR 5 -0.039 -9.976 -2.835 33 HA THR 5 HA THR 5 -0.595 -9.721 0.019 34 HB THR 5 HB THR 5 0.887 -11.954 -1.389 35 HG1 THR 5 HG1 THR 5 -1.766 -11.294 -1.443 36 1HG2 THR 5 1HG2 THR 5 -0.554 -11.813 1.262 37 2HG2 THR 5 2HG2 THR 5 1.193 -11.892 1.029 38 3HG2 THR 5 3HG2 THR 5 0.181 -13.265 0.578 39 H LEU 6 H LEU 6 0.703 -8.239 0.871 40 HA LEU 6 HA LEU 6 3.467 -8.039 -0.087 41 1HB LEU 6 1HB LEU 6 1.800 -6.055 1.465 42 2HB LEU 6 2HB LEU 6 3.417 -5.773 0.848 43 HG LEU 6 HG LEU 6 0.994 -6.297 -0.877 44 1HD1 LEU 6 1HD1 LEU 6 2.420 -3.721 -0.227 45 2HD1 LEU 6 2HD1 LEU 6 0.796 -4.172 0.288 46 3HD1 LEU 6 3HD1 LEU 6 1.136 -3.913 -1.423 47 1HD2 LEU 6 1HD2 LEU 6 3.773 -5.365 -1.587 48 2HD2 LEU 6 2HD2 LEU 6 2.429 -5.605 -2.705 49 3HD2 LEU 6 3HD2 LEU 6 3.136 -6.986 -1.867 50 H ASP 7 H ASP 7 5.151 -7.672 1.367 51 HA ASP 7 HA ASP 7 4.614 -8.021 4.219 52 1HB ASP 7 1HB ASP 7 5.307 -10.246 3.265 53 2HB ASP 7 2HB ASP 7 6.838 -9.507 2.803 54 H ILE 8 H ILE 8 5.145 -6.022 4.792 55 HA ILE 8 HA ILE 8 7.563 -4.827 3.641 56 HB ILE 8 HB ILE 8 5.050 -3.580 4.739 57 1HG1 ILE 8 1HG1 ILE 8 6.347 -3.446 2.008 58 2HG1 ILE 8 2HG1 ILE 8 5.030 -4.530 2.437 59 1HG2 ILE 8 1HG2 ILE 8 6.969 -2.242 5.456 60 2HG2 ILE 8 2HG2 ILE 8 6.034 -1.400 4.221 61 3HG2 ILE 8 3HG2 ILE 8 7.555 -2.183 3.793 62 1HD1 ILE 8 1HD1 ILE 8 3.600 -2.605 2.876 63 2HD1 ILE 8 2HD1 ILE 8 4.220 -2.606 1.224 64 3HD1 ILE 8 3HD1 ILE 8 4.923 -1.526 2.430 65 HA PRO 9 HA PRO 9 9.527 -5.426 7.553 66 1HB PRO 9 1HB PRO 9 11.320 -3.331 6.430 67 2HB PRO 9 2HB PRO 9 11.717 -4.937 7.065 68 1HG PRO 9 1HG PRO 9 11.753 -4.497 4.456 69 2HG PRO 9 2HG PRO 9 11.072 -6.007 5.096 70 1HD PRO 9 1HD PRO 9 9.650 -3.553 4.120 71 2HD PRO 9 2HD PRO 9 9.275 -5.264 3.822 72 H ALA 10 H ALA 10 9.962 -4.362 9.449 73 HA ALA 10 HA ALA 10 8.910 -1.619 9.726 74 1HB ALA 10 1HB ALA 10 7.838 -3.275 11.170 75 2HB ALA 10 2HB ALA 10 8.772 -2.130 12.133 76 3HB ALA 10 3HB ALA 10 9.409 -3.746 11.821 77 H GLN 11 H GLN 11 11.416 -2.270 8.575 78 HA GLN 11 HA GLN 11 13.382 -1.378 10.558 79 1HB GLN 11 1HB GLN 11 13.840 -2.301 7.708 80 2HB GLN 11 2HB GLN 11 15.060 -2.073 8.952 81 1HG GLN 11 1HG GLN 11 14.196 -3.938 10.207 82 2HG GLN 11 2HG GLN 11 12.860 -4.121 9.072 83 1HE2 GLN 11 1HE2 GLN 11 14.648 -3.535 6.777 84 2HE2 GLN 11 2HE2 GLN 11 15.544 -4.987 6.524 85 H SER 12 H SER 12 15.138 -0.224 8.601 86 HA SER 12 HA SER 12 14.342 2.411 8.418 87 1HB SER 12 1HB SER 12 16.119 0.991 6.424 88 2HB SER 12 2HB SER 12 16.159 2.698 6.864 89 HG SER 12 HG SER 12 17.515 2.149 8.359 90 H MET 13 H MET 13 13.196 3.591 7.038 91 HA MET 13 HA MET 13 11.102 2.629 5.555 92 1HB MET 13 1HB MET 13 11.394 4.975 6.301 93 2HB MET 13 2HB MET 13 12.600 5.205 5.045 94 1HG MET 13 1HG MET 13 10.541 6.141 4.301 95 2HG MET 13 2HG MET 13 10.866 4.691 3.351 96 1HE MET 13 1HE MET 13 8.745 6.273 6.241 97 2HE MET 13 2HE MET 13 9.521 4.915 7.058 98 3HE MET 13 3HE MET 13 7.778 4.898 6.778 99 H ASN 14 H ASN 14 14.397 3.087 4.541 100 HA ASN 14 HA ASN 14 14.199 2.920 1.787 101 1HB ASN 14 1HB ASN 14 16.288 1.900 3.704 102 2HB ASN 14 2HB ASN 14 16.469 1.739 1.962 103 1HD2 ASN 14 1HD2 ASN 14 17.046 3.472 0.770 104 2HD2 ASN 14 2HD2 ASN 14 17.434 5.021 1.440 105 H SER 15 H SER 15 14.077 0.317 4.207 106 HA SER 15 HA SER 15 14.208 -1.766 2.238 107 1HB SER 15 1HB SER 15 13.402 -1.902 5.155 108 2HB SER 15 2HB SER 15 13.833 -3.268 4.125 109 HG SER 15 HG SER 15 15.922 -2.391 3.930 110 H ALA 16 H ALA 16 11.694 -0.198 4.159 111 HA ALA 16 HA ALA 16 9.499 -1.762 3.452 112 1HB ALA 16 1HB ALA 16 9.463 0.004 5.164 113 2HB ALA 16 2HB ALA 16 8.144 0.170 4.006 114 3HB ALA 16 3HB ALA 16 9.555 1.222 3.892 115 H LEU 17 H LEU 17 10.744 1.172 1.876 116 HA LEU 17 HA LEU 17 8.895 1.120 -0.264 117 1HB LEU 17 1HB LEU 17 11.625 2.404 -0.087 118 2HB LEU 17 2HB LEU 17 10.436 2.733 -1.335 119 HG LEU 17 HG LEU 17 10.035 3.278 1.608 120 1HD1 LEU 17 1HD1 LEU 17 10.661 5.169 -0.654 121 2HD1 LEU 17 2HD1 LEU 17 11.743 4.733 0.669 122 3HD1 LEU 17 3HD1 LEU 17 10.262 5.635 0.999 123 1HD2 LEU 17 1HD2 LEU 17 8.375 4.018 -0.801 124 2HD2 LEU 17 2HD2 LEU 17 8.068 4.528 0.860 125 3HD2 LEU 17 3HD2 LEU 17 7.952 2.821 0.425 126 H GLN 18 H GLN 18 12.220 -0.051 0.057 127 HA GLN 18 HA GLN 18 12.605 -0.912 -2.566 128 1HB GLN 18 1HB GLN 18 14.346 -0.746 -0.773 129 2HB GLN 18 2HB GLN 18 13.695 -2.220 -0.071 130 1HG GLN 18 1HG GLN 18 14.251 -3.444 -2.100 131 2HG GLN 18 2HG GLN 18 14.888 -1.964 -2.820 132 1HE2 GLN 18 1HE2 GLN 18 16.789 -1.052 -1.969 133 2HE2 GLN 18 2HE2 GLN 18 17.901 -2.004 -1.043 134 H ALA 19 H ALA 19 11.291 -2.651 0.228 135 HA ALA 19 HA ALA 19 10.878 -5.106 -1.126 136 1HB ALA 19 1HB ALA 19 9.504 -5.730 0.783 137 2HB ALA 19 2HB ALA 19 9.476 -4.053 1.327 138 3HB ALA 19 3HB ALA 19 10.993 -4.952 1.317 139 H LEU 20 H LEU 20 8.931 -2.193 -0.755 140 HA LEU 20 HA LEU 20 6.456 -3.312 -1.571 141 1HB LEU 20 1HB LEU 20 6.595 -1.207 -0.345 142 2HB LEU 20 2HB LEU 20 7.466 -0.466 -1.674 143 HG LEU 20 HG LEU 20 5.457 -0.748 -3.107 144 1HD1 LEU 20 1HD1 LEU 20 4.129 -1.612 -0.538 145 2HD1 LEU 20 2HD1 LEU 20 4.465 -2.653 -1.921 146 3HD1 LEU 20 3HD1 LEU 20 3.325 -1.318 -2.081 147 1HD2 LEU 20 1HD2 LEU 20 5.876 1.359 -1.981 148 2HD2 LEU 20 2HD2 LEU 20 5.055 0.772 -0.534 149 3HD2 LEU 20 3HD2 LEU 20 4.145 1.024 -2.024 150 H ALA 21 H ALA 21 9.139 -1.810 -3.261 151 HA ALA 21 HA ALA 21 7.828 -1.381 -5.744 152 1HB ALA 21 1HB ALA 21 9.879 -0.198 -5.092 153 2HB ALA 21 2HB ALA 21 10.053 -1.009 -6.648 154 3HB ALA 21 3HB ALA 21 10.777 -1.711 -5.202 155 H LYS 22 H LYS 22 9.921 -3.933 -4.518 156 HA LYS 22 HA LYS 22 10.066 -5.475 -6.864 157 1HB LYS 22 1HB LYS 22 10.219 -6.528 -4.040 158 2HB LYS 22 2HB LYS 22 10.954 -7.217 -5.481 159 1HG LYS 22 1HG LYS 22 12.488 -5.367 -5.639 160 2HG LYS 22 2HG LYS 22 11.695 -4.555 -4.288 161 1HD LYS 22 1HD LYS 22 13.633 -5.575 -3.395 162 2HD LYS 22 2HD LYS 22 12.274 -6.581 -2.892 163 1HE LYS 22 1HE LYS 22 14.001 -8.043 -3.610 164 2HE LYS 22 2HE LYS 22 12.762 -8.053 -4.863 165 1HZ LYS 22 1HZ LYS 22 15.279 -6.475 -4.933 166 2HZ LYS 22 2HZ LYS 22 14.094 -6.493 -6.143 167 3HZ LYS 22 3HZ LYS 22 14.984 -7.896 -5.806 168 H GLN 23 H GLN 23 7.692 -5.347 -4.292 169 HA GLN 23 HA GLN 23 6.514 -7.873 -5.072 170 1HB GLN 23 1HB GLN 23 5.868 -5.901 -2.891 171 2HB GLN 23 2HB GLN 23 4.913 -7.348 -3.184 172 1HG GLN 23 1HG GLN 23 6.823 -8.748 -2.719 173 2HG GLN 23 2HG GLN 23 7.857 -7.330 -2.557 174 1HE2 GLN 23 1HE2 GLN 23 7.697 -6.051 -0.729 175 2HE2 GLN 23 2HE2 GLN 23 6.925 -6.599 0.719 176 H THR 24 H THR 24 5.886 -4.484 -5.683 177 HA THR 24 HA THR 24 3.272 -5.269 -6.787 178 HB THR 24 HB THR 24 2.715 -2.818 -6.680 179 HG1 THR 24 HG1 THR 24 4.935 -2.656 -4.907 180 1HG2 THR 24 1HG2 THR 24 3.377 -4.217 -4.085 181 2HG2 THR 24 2HG2 THR 24 1.873 -4.360 -4.996 182 3HG2 THR 24 3HG2 THR 24 2.307 -2.825 -4.244 183 H ASP 25 H ASP 25 6.258 -4.910 -7.850 184 HA ASP 25 HA ASP 25 7.259 -4.475 -9.846 185 1HB ASP 25 1HB ASP 25 4.424 -4.659 -10.888 186 2HB ASP 25 2HB ASP 25 5.872 -4.678 -11.886 187 H THR 26 H THR 26 6.643 -2.204 -8.272 188 HA THR 26 HA THR 26 5.737 -0.212 -10.222 189 HB THR 26 HB THR 26 5.679 1.276 -8.117 190 HG1 THR 26 HG1 THR 26 5.237 -0.946 -6.554 191 1HG2 THR 26 1HG2 THR 26 3.794 -1.078 -8.299 192 2HG2 THR 26 2HG2 THR 26 3.678 0.399 -9.258 193 3HG2 THR 26 3HG2 THR 26 3.463 0.462 -7.508 194 H GLN 27 H GLN 27 6.842 1.827 -10.352 195 HA GLN 27 HA GLN 27 9.711 1.636 -9.754 196 1HB GLN 27 1HB GLN 27 9.240 2.091 -12.090 197 2HB GLN 27 2HB GLN 27 8.191 3.432 -11.656 198 1HG GLN 27 1HG GLN 27 10.056 4.697 -10.832 199 2HG GLN 27 2HG GLN 27 11.139 3.327 -11.063 200 1HE2 GLN 27 1HE2 GLN 27 9.308 5.837 -12.640 201 2HE2 GLN 27 2HE2 GLN 27 10.136 5.747 -14.161 202 H LEU 28 H LEU 28 10.450 2.743 -8.050 203 HA LEU 28 HA LEU 28 8.622 4.737 -6.904 204 1HB LEU 28 1HB LEU 28 10.687 3.011 -5.551 205 2HB LEU 28 2HB LEU 28 9.763 4.265 -4.748 206 HG LEU 28 HG LEU 28 8.687 1.719 -5.957 207 1HD1 LEU 28 1HD1 LEU 28 8.749 2.718 -3.120 208 2HD1 LEU 28 2HD1 LEU 28 9.807 1.481 -3.798 209 3HD1 LEU 28 3HD1 LEU 28 8.072 1.187 -3.676 210 1HD2 LEU 28 1HD2 LEU 28 7.123 3.534 -6.361 211 2HD2 LEU 28 2HD2 LEU 28 7.202 3.999 -4.662 212 3HD2 LEU 28 3HD2 LEU 28 6.504 2.444 -5.119 213 H LEU 29 H LEU 29 9.193 6.744 -6.975 214 HA LEU 29 HA LEU 29 12.055 7.443 -7.065 215 1HB LEU 29 1HB LEU 29 10.353 8.141 -8.939 216 2HB LEU 29 2HB LEU 29 9.818 9.324 -7.766 217 HG LEU 29 HG LEU 29 11.414 10.239 -9.417 218 1HD1 LEU 29 1HD1 LEU 29 11.237 11.294 -7.234 219 2HD1 LEU 29 2HD1 LEU 29 12.894 11.366 -7.837 220 3HD1 LEU 29 3HD1 LEU 29 12.457 10.194 -6.594 221 1HD2 LEU 29 1HD2 LEU 29 13.756 9.607 -9.332 222 2HD2 LEU 29 2HD2 LEU 29 12.752 8.218 -9.747 223 3HD2 LEU 29 3HD2 LEU 29 13.397 8.383 -8.114 224 H TYR 30 H TYR 30 12.500 7.539 -4.908 225 HA TYR 30 HA TYR 30 10.716 9.201 -3.269 226 1HB TYR 30 1HB TYR 30 11.393 7.801 -1.318 227 2HB TYR 30 2HB TYR 30 10.454 6.936 -2.524 228 HD1 TYR 30 HD1 TYR 30 11.520 5.238 -3.944 229 HD2 TYR 30 HD2 TYR 30 13.672 7.184 -0.825 230 HE1 TYR 30 HE1 TYR 30 13.225 3.472 -4.029 231 HE2 TYR 30 HE2 TYR 30 15.388 5.420 -0.908 232 HH TYR 30 HH TYR 30 15.558 3.141 -3.452 233 H SER 31 H SER 31 11.778 10.151 -1.377 234 HA SER 31 HA SER 31 14.434 11.129 -2.163 235 1HB SER 31 1HB SER 31 12.376 12.408 -0.343 236 2HB SER 31 2HB SER 31 13.891 13.139 -0.877 237 HG SER 31 HG SER 31 11.747 12.335 -2.567 238 HA PRO 32 HA PRO 32 15.437 8.508 1.448 239 1HB PRO 32 1HB PRO 32 18.177 8.795 0.424 240 2HB PRO 32 2HB PRO 32 17.234 7.331 0.710 241 1HG PRO 32 1HG PRO 32 17.793 8.192 -1.776 242 2HG PRO 32 2HG PRO 32 16.268 7.378 -1.381 243 1HD PRO 32 1HD PRO 32 16.815 10.299 -1.753 244 2HD PRO 32 2HD PRO 32 15.430 9.332 -2.304 245 H GLU 33 H GLU 33 17.192 11.361 0.321 246 HA GLU 33 HA GLU 33 18.472 11.852 2.832 247 1HB GLU 33 1HB GLU 33 18.011 13.892 0.655 248 2HB GLU 33 2HB GLU 33 19.312 13.843 1.838 249 1HG GLU 33 1HG GLU 33 18.924 11.908 -0.442 250 2HG GLU 33 2HG GLU 33 20.082 13.233 -0.397 251 H ASP 34 H ASP 34 15.470 12.698 1.338 252 HA ASP 34 HA ASP 34 14.860 14.869 3.124 253 1HB ASP 34 1HB ASP 34 14.046 14.877 0.808 254 2HB ASP 34 2HB ASP 34 13.111 13.423 1.124 255 H ILE 35 H ILE 35 14.436 11.429 3.214 256 HA ILE 35 HA ILE 35 12.338 11.661 5.214 257 HB ILE 35 HB ILE 35 12.401 9.201 5.348 258 1HG1 ILE 35 1HG1 ILE 35 14.452 9.341 3.128 259 2HG1 ILE 35 2HG1 ILE 35 14.821 8.933 4.804 260 1HG2 ILE 35 1HG2 ILE 35 10.924 10.290 3.754 261 2HG2 ILE 35 2HG2 ILE 35 11.506 8.751 3.120 262 3HG2 ILE 35 3HG2 ILE 35 12.200 10.264 2.537 263 1HD1 ILE 35 1HD1 ILE 35 14.666 6.948 3.428 264 2HD1 ILE 35 2HD1 ILE 35 13.022 7.383 2.956 265 3HD1 ILE 35 3HD1 ILE 35 13.379 6.973 4.634 266 H GLY 36 H GLY 36 15.751 11.334 5.004 267 1HA GLY 36 1HA GLY 36 17.369 11.651 6.583 268 2HA GLY 36 2HA GLY 36 16.108 12.356 7.576 269 H GLY 37 H GLY 37 16.095 9.012 6.496 270 1HA GLY 37 1HA GLY 37 16.571 7.058 7.639 271 2HA GLY 37 2HA GLY 37 17.237 8.022 8.949 272 H LEU 38 H LEU 38 14.343 6.657 7.578 273 HA LEU 38 HA LEU 38 12.980 7.065 10.163 274 1HB LEU 38 1HB LEU 38 11.787 6.882 7.393 275 2HB LEU 38 2HB LEU 38 10.847 6.881 8.872 276 HG LEU 38 HG LEU 38 12.596 9.158 7.935 277 1HD1 LEU 38 1HD1 LEU 38 9.598 8.851 7.928 278 2HD1 LEU 38 2HD1 LEU 38 10.644 8.857 6.508 279 3HD1 LEU 38 3HD1 LEU 38 10.489 10.310 7.495 280 1HD2 LEU 38 1HD2 LEU 38 12.421 9.033 10.364 281 2HD2 LEU 38 2HD2 LEU 38 10.664 8.947 10.241 282 3HD2 LEU 38 3HD2 LEU 38 11.513 10.410 9.737 283 H ARG 39 H ARG 39 11.578 5.322 10.851 284 HA ARG 39 HA ARG 39 12.072 2.783 9.440 285 1HB ARG 39 1HB ARG 39 11.433 1.650 11.590 286 2HB ARG 39 2HB ARG 39 12.961 2.503 11.630 287 1HG ARG 39 1HG ARG 39 12.037 4.274 12.903 288 2HG ARG 39 2HG ARG 39 10.396 3.661 12.669 289 1HD ARG 39 1HD ARG 39 12.009 3.148 14.824 290 2HD ARG 39 2HD ARG 39 10.596 2.206 14.360 291 HE ARG 39 HE ARG 39 13.225 1.486 13.275 292 1HH1 ARG 39 1HH1 ARG 39 10.514 0.733 15.360 293 2HH1 ARG 39 2HH1 ARG 39 10.946 -0.940 15.530 294 1HH2 ARG 39 1HH2 ARG 39 13.812 -0.714 13.521 295 2HH2 ARG 39 2HH2 ARG 39 12.811 -1.758 14.499 296 H SER 40 H SER 40 10.371 1.534 8.910 297 HA SER 40 HA SER 40 7.837 2.954 8.798 298 1HB SER 40 1HB SER 40 7.321 0.985 7.200 299 2HB SER 40 2HB SER 40 8.509 2.183 6.683 300 HG SER 40 HG SER 40 8.858 -0.483 7.406 301 H SER 41 H SER 41 5.839 1.892 9.247 302 HA SER 41 HA SER 41 5.956 -0.107 11.344 303 1HB SER 41 1HB SER 41 4.320 1.773 11.476 304 2HB SER 41 2HB SER 41 3.555 1.179 10.005 305 HG SER 41 HG SER 41 2.774 0.533 12.294 306 H ALA 42 H ALA 42 5.710 -2.223 10.987 307 HA ALA 42 HA ALA 42 6.052 -3.312 8.471 308 1HB ALA 42 1HB ALA 42 4.851 -4.669 10.880 309 2HB ALA 42 2HB ALA 42 6.575 -4.498 10.545 310 3HB ALA 42 3HB ALA 42 5.562 -5.470 9.478 311 H LEU 43 H LEU 43 4.733 -3.152 6.821 312 HA LEU 43 HA LEU 43 1.838 -3.457 7.245 313 1HB LEU 43 1HB LEU 43 2.841 -1.298 6.217 314 2HB LEU 43 2HB LEU 43 3.133 -2.268 4.793 315 HG LEU 43 HG LEU 43 1.059 -0.856 4.723 316 1HD1 LEU 43 1HD1 LEU 43 1.311 -2.759 3.236 317 2HD1 LEU 43 2HD1 LEU 43 -0.368 -2.589 3.755 318 3HD1 LEU 43 3HD1 LEU 43 0.659 -3.831 4.475 319 1HD2 LEU 43 1HD2 LEU 43 0.061 -2.851 6.747 320 2HD2 LEU 43 2HD2 LEU 43 -0.892 -1.590 5.961 321 3HD2 LEU 43 3HD2 LEU 43 0.412 -1.152 7.064 322 H LYS 44 H LYS 44 1.893 -5.682 7.241 323 HA LYS 44 HA LYS 44 2.668 -6.941 4.701 324 1HB LYS 44 1HB LYS 44 3.191 -8.977 6.190 325 2HB LYS 44 2HB LYS 44 4.340 -7.640 6.178 326 1HG LYS 44 1HG LYS 44 3.175 -6.796 8.259 327 2HG LYS 44 2HG LYS 44 2.335 -8.344 8.307 328 1HD LYS 44 1HD LYS 44 5.307 -8.332 8.088 329 2HD LYS 44 2HD LYS 44 4.574 -7.948 9.642 330 1HE LYS 44 1HE LYS 44 5.089 -10.296 9.563 331 2HE LYS 44 2HE LYS 44 3.340 -10.084 9.550 332 1HZ LYS 44 1HZ LYS 44 4.216 -11.776 7.970 333 2HZ LYS 44 2HZ LYS 44 4.949 -10.521 7.091 334 3HZ LYS 44 3HZ LYS 44 3.260 -10.578 7.250 335 H GLY 45 H GLY 45 0.920 -7.561 3.698 336 1HA GLY 45 1HA GLY 45 -0.909 -9.418 4.598 337 2HA GLY 45 2HA GLY 45 -1.606 -7.846 4.963 338 H ARG 46 H ARG 46 -3.283 -8.537 3.456 339 HA ARG 46 HA ARG 46 -2.475 -8.413 0.629 340 1HB ARG 46 1HB ARG 46 -4.988 -9.432 1.966 341 2HB ARG 46 2HB ARG 46 -4.789 -9.303 0.224 342 1HG ARG 46 1HG ARG 46 -3.114 -10.940 0.180 343 2HG ARG 46 2HG ARG 46 -2.882 -10.868 1.927 344 1HD ARG 46 1HD ARG 46 -4.075 -12.873 1.404 345 2HD ARG 46 2HD ARG 46 -5.182 -11.760 2.205 346 HE ARG 46 HE ARG 46 -5.356 -11.473 -0.604 347 1HH1 ARG 46 1HH1 ARG 46 -6.225 -13.657 1.989 348 2HH1 ARG 46 2HH1 ARG 46 -7.598 -14.315 1.147 349 1HH2 ARG 46 1HH2 ARG 46 -7.168 -12.319 -1.708 350 2HH2 ARG 46 2HH2 ARG 46 -8.151 -13.530 -0.935 351 H HIS 47 H HIS 47 -2.580 -6.428 -0.191 352 HA HIS 47 HA HIS 47 -4.897 -4.742 0.408 353 1HB HIS 47 1HB HIS 47 -2.039 -3.803 0.761 354 2HB HIS 47 2HB HIS 47 -3.461 -2.779 0.863 355 HD1 HIS 47 HD1 HIS 47 -4.960 -3.048 2.998 356 HD2 HIS 47 HD2 HIS 47 -1.433 -5.260 3.030 357 HE1 HIS 47 HE1 HIS 47 -4.634 -3.788 5.382 358 HE2 HIS 47 HE2 HIS 47 -2.559 -5.219 5.357 359 H ASP 48 H ASP 48 -5.208 -3.044 -1.125 360 HA ASP 48 HA ASP 48 -4.140 -3.551 -3.751 361 1HB ASP 48 1HB ASP 48 -5.907 -1.313 -2.722 362 2HB ASP 48 2HB ASP 48 -5.494 -1.564 -4.414 363 H LEU 49 H LEU 49 -3.139 -1.684 -5.029 364 HA LEU 49 HA LEU 49 -0.735 -1.010 -3.740 365 1HB LEU 49 1HB LEU 49 -0.919 -1.289 -6.163 366 2HB LEU 49 2HB LEU 49 -1.926 0.145 -6.261 367 HG LEU 49 HG LEU 49 -0.028 1.518 -5.471 368 1HD1 LEU 49 1HD1 LEU 49 1.143 -0.201 -4.188 369 2HD1 LEU 49 2HD1 LEU 49 2.208 0.560 -5.368 370 3HD1 LEU 49 3HD1 LEU 49 1.548 -1.045 -5.683 371 1HD2 LEU 49 1HD2 LEU 49 0.579 -0.190 -7.881 372 2HD2 LEU 49 2HD2 LEU 49 1.302 1.377 -7.518 373 3HD2 LEU 49 3HD2 LEU 49 -0.423 1.262 -7.861 374 H GLN 50 H GLN 50 -3.394 1.143 -4.777 375 HA GLN 50 HA GLN 50 -2.362 3.489 -3.675 376 1HB GLN 50 1HB GLN 50 -5.229 2.670 -4.158 377 2HB GLN 50 2HB GLN 50 -4.750 4.287 -3.666 378 1HG GLN 50 1HG GLN 50 -4.086 2.879 -6.233 379 2HG GLN 50 2HG GLN 50 -5.092 4.309 -6.010 380 1HE2 GLN 50 1HE2 GLN 50 -1.904 3.078 -6.302 381 2HE2 GLN 50 2HE2 GLN 50 -1.085 4.601 -6.329 382 H SER 51 H SER 51 -4.414 1.018 -2.252 383 HA SER 51 HA SER 51 -5.032 2.321 0.145 384 1HB SER 51 1HB SER 51 -4.666 -0.657 -0.167 385 2HB SER 51 2HB SER 51 -5.780 0.197 0.904 386 HG SER 51 HG SER 51 -7.173 0.122 -0.658 387 H SER 52 H SER 52 -2.387 0.111 -0.683 388 HA SER 52 HA SER 52 -1.189 -0.014 1.851 389 1HB SER 52 1HB SER 52 0.155 -0.236 -0.854 390 2HB SER 52 2HB SER 52 0.770 -0.865 0.675 391 HG SER 52 HG SER 52 -1.433 -1.747 -0.858 392 H LEU 53 H LEU 53 -0.716 2.221 -0.857 393 HA LEU 53 HA LEU 53 1.465 3.642 0.234 394 1HB LEU 53 1HB LEU 53 -0.657 4.546 -1.713 395 2HB LEU 53 2HB LEU 53 0.824 5.420 -1.374 396 HG LEU 53 HG LEU 53 0.682 2.658 -2.586 397 1HD1 LEU 53 1HD1 LEU 53 -0.156 4.324 -4.130 398 2HD1 LEU 53 2HD1 LEU 53 1.445 3.785 -4.639 399 3HD1 LEU 53 3HD1 LEU 53 1.251 5.343 -3.833 400 1HD2 LEU 53 1HD2 LEU 53 2.711 3.006 -1.283 401 2HD2 LEU 53 2HD2 LEU 53 3.016 4.517 -2.142 402 3HD2 LEU 53 3HD2 LEU 53 3.072 2.982 -3.009 403 H ARG 54 H ARG 54 -2.020 4.071 0.478 404 HA ARG 54 HA ARG 54 -1.956 6.564 1.795 405 1HB ARG 54 1HB ARG 54 -3.978 5.814 0.722 406 2HB ARG 54 2HB ARG 54 -4.053 4.392 1.756 407 1HG ARG 54 1HG ARG 54 -4.590 5.699 3.662 408 2HG ARG 54 2HG ARG 54 -4.227 7.203 2.813 409 1HD ARG 54 1HD ARG 54 -6.409 5.296 1.993 410 2HD ARG 54 2HD ARG 54 -6.667 6.682 3.052 411 HE ARG 54 HE ARG 54 -5.659 7.976 1.053 412 1HH1 ARG 54 1HH1 ARG 54 -7.723 5.141 0.801 413 2HH1 ARG 54 2HH1 ARG 54 -8.431 5.648 -0.704 414 1HH2 ARG 54 1HH2 ARG 54 -6.599 8.616 -0.935 415 2HH2 ARG 54 2HH2 ARG 54 -7.787 7.598 -1.693 416 H ILE 55 H ILE 55 -1.947 3.236 3.014 417 HA ILE 55 HA ILE 55 -2.238 3.884 5.737 418 HB ILE 55 HB ILE 55 -0.815 1.504 4.537 419 1HG1 ILE 55 1HG1 ILE 55 -3.675 1.814 5.473 420 2HG1 ILE 55 2HG1 ILE 55 -3.163 1.752 3.792 421 1HG2 ILE 55 1HG2 ILE 55 -0.235 1.823 6.878 422 2HG2 ILE 55 2HG2 ILE 55 -1.280 0.415 6.688 423 3HG2 ILE 55 3HG2 ILE 55 -1.943 1.930 7.303 424 1HD1 ILE 55 1HD1 ILE 55 -2.369 -0.527 4.105 425 2HD1 ILE 55 2HD1 ILE 55 -4.071 -0.380 4.546 426 3HD1 ILE 55 3HD1 ILE 55 -2.837 -0.463 5.804 427 H LEU 56 H LEU 56 0.711 3.196 3.848 428 HA LEU 56 HA LEU 56 2.522 3.563 5.939 429 1HB LEU 56 1HB LEU 56 2.695 3.537 2.987 430 2HB LEU 56 2HB LEU 56 4.037 4.270 3.840 431 HG LEU 56 HG LEU 56 4.566 1.978 3.356 432 1HD1 LEU 56 1HD1 LEU 56 5.365 2.852 5.484 433 2HD1 LEU 56 2HD1 LEU 56 5.028 1.124 5.588 434 3HD1 LEU 56 3HD1 LEU 56 3.895 2.284 6.277 435 1HD2 LEU 56 1HD2 LEU 56 3.251 0.115 4.222 436 2HD2 LEU 56 2HD2 LEU 56 2.313 1.101 3.102 437 3HD2 LEU 56 3HD2 LEU 56 2.048 1.247 4.839 438 H LEU 57 H LEU 57 1.105 5.956 3.747 439 HA LEU 57 HA LEU 57 2.834 8.000 4.958 440 1HB LEU 57 1HB LEU 57 1.320 7.925 2.364 441 2HB LEU 57 2HB LEU 57 1.934 9.426 3.024 442 HG LEU 57 HG LEU 57 4.237 8.373 3.001 443 1HD1 LEU 57 1HD1 LEU 57 2.833 6.321 1.297 444 2HD1 LEU 57 2HD1 LEU 57 3.589 6.038 2.865 445 3HD1 LEU 57 3HD1 LEU 57 4.579 6.489 1.476 446 1HD2 LEU 57 1HD2 LEU 57 2.773 8.762 0.399 447 2HD2 LEU 57 2HD2 LEU 57 4.527 8.734 0.580 448 3HD2 LEU 57 3HD2 LEU 57 3.580 10.006 1.355 449 H GLN 58 H GLN 58 0.078 6.794 5.835 450 HA GLN 58 HA GLN 58 -1.876 8.768 5.670 451 1HB GLN 58 1HB GLN 58 -3.018 7.660 7.466 452 2HB GLN 58 2HB GLN 58 -2.292 6.454 6.417 453 1HG GLN 58 1HG GLN 58 -0.469 6.162 8.020 454 2HG GLN 58 2HG GLN 58 -1.214 7.359 9.078 455 1HE2 GLN 58 1HE2 GLN 58 -2.990 5.033 7.190 456 2HE2 GLN 58 2HE2 GLN 58 -3.581 4.100 8.522 457 H GLY 59 H GLY 59 0.672 8.409 8.133 458 1HA GLY 59 1HA GLY 59 -0.206 11.021 9.202 459 2HA GLY 59 2HA GLY 59 0.236 9.690 10.259 460 H THR 60 H THR 60 2.119 9.967 7.418 461 HA THR 60 HA THR 60 4.365 10.844 9.061 462 HB THR 60 HB THR 60 5.692 10.158 6.971 463 HG1 THR 60 HG1 THR 60 4.272 8.443 5.857 464 1HG2 THR 60 1HG2 THR 60 5.637 8.801 8.991 465 2HG2 THR 60 2HG2 THR 60 5.561 7.769 7.564 466 3HG2 THR 60 3HG2 THR 60 4.099 8.092 8.496 467 H GLY 61 H GLY 61 2.122 12.383 7.311 468 1HA GLY 61 1HA GLY 61 1.998 14.425 6.287 469 2HA GLY 61 2HA GLY 61 3.552 14.771 7.027 470 H LEU 62 H LEU 62 3.303 12.078 4.855 471 HA LEU 62 HA LEU 62 4.975 13.549 2.952 472 1HB LEU 62 1HB LEU 62 4.484 10.576 3.179 473 2HB LEU 62 2HB LEU 62 5.629 11.353 2.107 474 HG LEU 62 HG LEU 62 5.785 11.327 5.122 475 1HD1 LEU 62 1HD1 LEU 62 7.697 9.858 4.796 476 2HD1 LEU 62 2HD1 LEU 62 7.444 9.895 3.051 477 3HD1 LEU 62 3HD1 LEU 62 6.239 9.148 4.100 478 1HD2 LEU 62 1HD2 LEU 62 6.712 13.375 4.117 479 2HD2 LEU 62 2HD2 LEU 62 7.748 12.383 3.089 480 3HD2 LEU 62 3HD2 LEU 62 7.960 12.358 4.840 481 H ARG 63 H ARG 63 4.584 13.188 0.643 482 HA ARG 63 HA ARG 63 1.765 12.556 0.073 483 1HB ARG 63 1HB ARG 63 3.506 14.697 -1.147 484 2HB ARG 63 2HB ARG 63 2.000 14.160 -1.872 485 1HG ARG 63 1HG ARG 63 2.222 15.315 0.898 486 2HG ARG 63 2HG ARG 63 1.817 16.249 -0.542 487 1HD ARG 63 1HD ARG 63 -0.242 15.735 0.491 488 2HD ARG 63 2HD ARG 63 -0.107 14.642 -0.885 489 HE ARG 63 HE ARG 63 0.927 13.333 1.361 490 1HH1 ARG 63 1HH1 ARG 63 -2.169 14.553 0.228 491 2HH1 ARG 63 2HH1 ARG 63 -3.093 13.361 1.100 492 1HH2 ARG 63 1HH2 ARG 63 -0.286 11.774 2.489 493 2HH2 ARG 63 2HH2 ARG 63 -2.021 11.764 2.373 494 H TYR 64 H TYR 64 1.452 10.984 -1.306 495 HA TYR 64 HA TYR 64 3.735 10.023 -2.876 496 1HB TYR 64 1HB TYR 64 2.430 7.924 -3.166 497 2HB TYR 64 2HB TYR 64 2.775 8.288 -1.484 498 HD1 TYR 64 HD1 TYR 64 0.942 9.108 0.000 499 HD2 TYR 64 HD2 TYR 64 0.191 7.773 -3.971 500 HE1 TYR 64 HE1 TYR 64 -1.447 8.879 0.533 501 HE2 TYR 64 HE2 TYR 64 -2.195 7.543 -3.447 502 HH TYR 64 HH TYR 64 -3.674 7.344 -1.671 503 H GLN 65 H GLN 65 3.833 10.668 -4.879 504 HA GLN 65 HA GLN 65 1.329 11.302 -6.284 505 1HB GLN 65 1HB GLN 65 3.054 13.099 -6.119 506 2HB GLN 65 2HB GLN 65 4.159 12.073 -7.020 507 1HG GLN 65 1HG GLN 65 2.570 12.097 -8.915 508 2HG GLN 65 2HG GLN 65 1.562 13.226 -8.008 509 1HE2 GLN 65 1HE2 GLN 65 2.916 13.563 -10.572 510 2HE2 GLN 65 2HE2 GLN 65 3.976 14.923 -10.377 511 H ILE 66 H ILE 66 0.607 9.761 -7.593 512 HA ILE 66 HA ILE 66 2.542 7.823 -8.630 513 HB ILE 66 HB ILE 66 0.741 6.772 -7.431 514 1HG1 ILE 66 1HG1 ILE 66 0.354 6.393 -10.407 515 2HG1 ILE 66 2HG1 ILE 66 1.619 5.643 -9.440 516 1HG2 ILE 66 1HG2 ILE 66 -1.599 6.945 -8.103 517 2HG2 ILE 66 2HG2 ILE 66 -1.162 8.139 -9.326 518 3HG2 ILE 66 3HG2 ILE 66 -0.950 8.512 -7.615 519 1HD1 ILE 66 1HD1 ILE 66 -0.052 4.422 -8.172 520 2HD1 ILE 66 2HD1 ILE 66 -0.217 4.107 -9.899 521 3HD1 ILE 66 3HD1 ILE 66 -1.338 5.203 -9.091 522 H ASP 67 H ASP 67 3.258 8.096 -10.557 523 HA ASP 67 HA ASP 67 1.618 9.502 -12.563 524 1HB ASP 67 1HB ASP 67 3.579 10.813 -11.682 525 2HB ASP 67 2HB ASP 67 4.638 9.558 -12.321 526 H GLY 68 H GLY 68 0.873 7.858 -13.776 527 1HA GLY 68 1HA GLY 68 0.850 5.999 -15.132 528 2HA GLY 68 2HA GLY 68 2.552 6.314 -15.432 529 H ASN 69 H ASN 69 4.043 4.997 -14.566 530 HA ASN 69 HA ASN 69 3.118 2.941 -12.661 531 1HB ASN 69 1HB ASN 69 5.324 2.853 -14.734 532 2HB ASN 69 2HB ASN 69 5.066 1.600 -13.525 533 1HD2 ASN 69 1HD2 ASN 69 4.944 1.563 -16.474 534 2HD2 ASN 69 2HD2 ASN 69 3.383 0.918 -16.856 535 H THR 70 H THR 70 4.482 5.769 -12.549 536 HA THR 70 HA THR 70 6.770 5.041 -10.848 537 HB THR 70 HB THR 70 6.109 7.779 -11.948 538 HG1 THR 70 HG1 THR 70 7.029 7.230 -13.776 539 1HG2 THR 70 1HG2 THR 70 7.643 7.766 -10.046 540 2HG2 THR 70 2HG2 THR 70 8.490 8.220 -11.525 541 3HG2 THR 70 3HG2 THR 70 8.672 6.593 -10.869 542 H VAL 71 H VAL 71 6.784 5.572 -8.723 543 HA VAL 71 HA VAL 71 4.536 7.194 -7.712 544 HB VAL 71 HB VAL 71 5.960 4.973 -6.229 545 1HG1 VAL 71 1HG1 VAL 71 4.186 5.262 -4.557 546 2HG1 VAL 71 2HG1 VAL 71 3.546 6.622 -5.482 547 3HG1 VAL 71 3HG1 VAL 71 5.149 6.726 -4.753 548 1HG2 VAL 71 1HG2 VAL 71 3.216 5.010 -7.487 549 2HG2 VAL 71 2HG2 VAL 71 3.842 3.733 -6.443 550 3HG2 VAL 71 3HG2 VAL 71 4.597 4.044 -8.008 551 H THR 72 H THR 72 5.141 9.041 -6.797 552 HA THR 72 HA THR 72 7.996 9.407 -6.194 553 HB THR 72 HB THR 72 5.904 11.560 -6.552 554 HG1 THR 72 HG1 THR 72 6.416 10.052 -8.428 555 1HG2 THR 72 1HG2 THR 72 8.920 11.627 -6.705 556 2HG2 THR 72 2HG2 THR 72 7.940 12.251 -5.377 557 3HG2 THR 72 3HG2 THR 72 7.842 12.996 -6.974 558 H VAL 73 H VAL 73 8.511 9.270 -4.120 559 HA VAL 73 HA VAL 73 6.490 9.930 -2.085 560 HB VAL 73 HB VAL 73 9.066 8.381 -1.741 561 1HG1 VAL 73 1HG1 VAL 73 8.166 7.760 0.434 562 2HG1 VAL 73 2HG1 VAL 73 6.725 8.731 0.128 563 3HG1 VAL 73 3HG1 VAL 73 8.297 9.514 0.294 564 1HG2 VAL 73 1HG2 VAL 73 7.642 6.392 -1.586 565 2HG2 VAL 73 2HG2 VAL 73 7.502 7.168 -3.164 566 3HG2 VAL 73 3HG2 VAL 73 6.230 7.379 -1.962 567 H THR 74 H THR 74 6.650 12.018 -1.614 568 HA THR 74 HA THR 74 9.251 13.033 -0.711 569 HB THR 74 HB THR 74 8.845 13.775 -3.074 570 HG1 THR 74 HG1 THR 74 8.930 15.765 -1.026 571 1HG2 THR 74 1HG2 THR 74 6.540 15.293 -1.847 572 2HG2 THR 74 2HG2 THR 74 6.420 13.978 -3.018 573 3HG2 THR 74 3HG2 THR 74 7.155 15.511 -3.488 574 H ALA 75 H ALA 75 9.107 14.665 0.899 575 HA ALA 75 HA ALA 75 6.821 14.592 2.563 576 1HB ALA 75 1HB ALA 75 7.951 16.320 3.866 577 2HB ALA 75 2HB ALA 75 9.104 16.568 2.553 578 3HB ALA 75 3HB ALA 75 9.071 15.032 3.422 579 H SER 76 H SER 76 5.369 16.302 3.074 580 HA SER 76 HA SER 76 4.372 17.671 0.787 581 1HB SER 76 1HB SER 76 3.595 18.038 3.689 582 2HB SER 76 2HB SER 76 2.634 18.472 2.276 583 HG SER 76 HG SER 76 3.178 15.954 3.370 584 H ALA 77 H ALA 77 5.690 19.232 0.002 585 HA ALA 77 HA ALA 77 7.094 21.102 1.641 586 1HB ALA 77 1HB ALA 77 6.424 21.250 -1.301 587 2HB ALA 77 2HB ALA 77 7.867 20.506 -0.612 588 3HB ALA 77 3HB ALA 77 7.612 22.245 -0.456 589 H ALA 78 H ALA 78 4.156 21.222 -0.309 590 HA ALA 78 HA ALA 78 3.345 23.615 1.198 591 1HB ALA 78 1HB ALA 78 2.470 22.762 -1.563 592 2HB ALA 78 2HB ALA 78 3.588 24.076 -1.193 593 3HB ALA 78 3HB ALA 78 1.898 24.186 -0.695 594 H ALA 79 H ALA 79 1.712 23.314 2.558 595 HA ALA 79 HA ALA 79 0.433 20.729 2.688 596 1HB ALA 79 1HB ALA 79 -0.539 21.549 4.771 597 2HB ALA 79 2HB ALA 79 0.068 23.167 4.424 598 3HB ALA 79 3HB ALA 79 1.198 21.846 4.720 599 H LYS 80 H LYS 80 -0.255 22.181 0.357 600 HA LYS 80 HA LYS 80 -2.896 23.280 0.688 601 1HB LYS 80 1HB LYS 80 -1.464 24.130 -1.087 602 2HB LYS 80 2HB LYS 80 -1.303 22.520 -1.772 603 1HG LYS 80 1HG LYS 80 -3.681 22.514 -2.322 604 2HG LYS 80 2HG LYS 80 -3.845 24.129 -1.630 605 1HD LYS 80 1HD LYS 80 -2.314 25.025 -3.287 606 2HD LYS 80 2HD LYS 80 -2.048 23.409 -3.945 607 1HE LYS 80 1HE LYS 80 -3.615 24.669 -5.322 608 2HE LYS 80 2HE LYS 80 -4.401 23.273 -4.586 609 1HZ LYS 80 1HZ LYS 80 -5.796 25.235 -4.461 610 2HZ LYS 80 2HZ LYS 80 -4.587 26.080 -3.624 611 3HZ LYS 80 3HZ LYS 80 -5.340 24.742 -2.903 612 H ASP 81 H ASP 81 -1.645 20.530 -1.182 613 HA ASP 81 HA ASP 81 -2.446 18.476 -1.659 614 1HB ASP 81 1HB ASP 81 -2.361 18.185 0.786 615 2HB ASP 81 2HB ASP 81 -4.019 18.775 0.905 616 H GLY 82 H GLY 82 -3.543 18.795 -3.505 617 1HA GLY 82 1HA GLY 82 -6.446 19.281 -3.260 618 2HA GLY 82 2HA GLY 82 -5.492 19.687 -4.682 Start of MODEL 8 1 1H SER 1 1H SER 1 -10.127 -8.606 -5.941 2 2H SER 1 2H SER 1 -8.859 -8.989 -4.882 3 3H SER 1 3H SER 1 -10.309 -9.861 -4.817 4 HA SER 1 HA SER 1 -8.645 -11.165 -5.906 5 1HB SER 1 1HB SER 1 -11.097 -11.136 -6.645 6 2HB SER 1 2HB SER 1 -10.570 -10.148 -8.004 7 HG SER 1 HG SER 1 -8.985 -12.323 -7.757 8 H GLN 2 H GLN 2 -8.244 -7.956 -6.336 9 HA GLN 2 HA GLN 2 -6.226 -8.382 -8.438 10 1HB GLN 2 1HB GLN 2 -8.029 -5.978 -8.071 11 2HB GLN 2 2HB GLN 2 -6.660 -6.033 -9.174 12 1HG GLN 2 1HG GLN 2 -7.704 -7.741 -10.485 13 2HG GLN 2 2HG GLN 2 -9.012 -7.902 -9.314 14 1HE2 GLN 2 1HE2 GLN 2 -10.573 -7.459 -10.842 15 2HE2 GLN 2 2HE2 GLN 2 -10.825 -5.872 -11.493 16 H GLU 3 H GLU 3 -5.861 -8.671 -5.714 17 HA GLU 3 HA GLU 3 -4.462 -6.217 -4.900 18 1HB GLU 3 1HB GLU 3 -5.555 -8.427 -3.140 19 2HB GLU 3 2HB GLU 3 -4.693 -7.005 -2.575 20 1HG GLU 3 1HG GLU 3 -6.907 -6.477 -2.175 21 2HG GLU 3 2HG GLU 3 -6.576 -5.669 -3.707 22 H TRP 4 H TRP 4 -2.640 -6.795 -3.298 23 HA TRP 4 HA TRP 4 -1.096 -9.009 -4.473 24 1HB TRP 4 1HB TRP 4 -0.241 -6.232 -3.704 25 2HB TRP 4 2HB TRP 4 0.921 -7.548 -3.791 26 HD1 TRP 4 HD1 TRP 4 1.238 -8.687 -6.283 27 HE1 TRP 4 HE1 TRP 4 1.120 -7.571 -8.604 28 HE3 TRP 4 HE3 TRP 4 -1.385 -4.495 -5.017 29 HZ2 TRP 4 HZ2 TRP 4 0.054 -5.214 -9.729 30 HZ3 TRP 4 HZ3 TRP 4 -1.914 -2.857 -6.772 31 HH2 TRP 4 HH2 TRP 4 -1.207 -3.210 -9.078 32 H THR 5 H THR 5 0.189 -10.206 -3.098 33 HA THR 5 HA THR 5 -0.375 -9.957 -0.252 34 HB THR 5 HB THR 5 1.325 -12.034 -1.657 35 HG1 THR 5 HG1 THR 5 -1.132 -11.761 -2.141 36 1HG2 THR 5 1HG2 THR 5 -0.049 -12.059 1.035 37 2HG2 THR 5 2HG2 THR 5 1.682 -11.845 0.767 38 3HG2 THR 5 3HG2 THR 5 0.906 -13.372 0.345 39 H LEU 6 H LEU 6 0.793 -8.320 0.579 40 HA LEU 6 HA LEU 6 3.564 -7.998 -0.352 41 1HB LEU 6 1HB LEU 6 1.690 -5.918 0.772 42 2HB LEU 6 2HB LEU 6 3.323 -5.628 0.203 43 HG LEU 6 HG LEU 6 1.039 -6.574 -1.531 44 1HD1 LEU 6 1HD1 LEU 6 1.051 -4.326 -2.451 45 2HD1 LEU 6 2HD1 LEU 6 2.311 -3.853 -1.314 46 3HD1 LEU 6 3HD1 LEU 6 0.709 -4.287 -0.721 47 1HD2 LEU 6 1HD2 LEU 6 3.180 -7.322 -2.372 48 2HD2 LEU 6 2HD2 LEU 6 3.844 -5.698 -2.199 49 3HD2 LEU 6 3HD2 LEU 6 2.570 -6.008 -3.378 50 H ASP 7 H ASP 7 5.026 -8.612 1.100 51 HA ASP 7 HA ASP 7 4.508 -8.189 3.948 52 1HB ASP 7 1HB ASP 7 5.523 -10.311 3.499 53 2HB ASP 7 2HB ASP 7 6.747 -9.578 2.467 54 H ILE 8 H ILE 8 4.986 -6.251 4.747 55 HA ILE 8 HA ILE 8 7.125 -4.704 3.463 56 HB ILE 8 HB ILE 8 4.828 -3.814 5.210 57 1HG1 ILE 8 1HG1 ILE 8 4.205 -4.281 2.903 58 2HG1 ILE 8 2HG1 ILE 8 4.169 -2.544 3.188 59 1HG2 ILE 8 1HG2 ILE 8 7.053 -2.133 4.060 60 2HG2 ILE 8 2HG2 ILE 8 6.816 -2.513 5.765 61 3HG2 ILE 8 3HG2 ILE 8 5.632 -1.527 4.908 62 1HD1 ILE 8 1HD1 ILE 8 6.341 -2.325 2.091 63 2HD1 ILE 8 2HD1 ILE 8 5.142 -3.065 1.027 64 3HD1 ILE 8 3HD1 ILE 8 6.369 -4.066 1.806 65 HA PRO 9 HA PRO 9 9.696 -5.735 6.964 66 1HB PRO 9 1HB PRO 9 11.283 -3.484 5.862 67 2HB PRO 9 2HB PRO 9 11.779 -5.140 6.225 68 1HG PRO 9 1HG PRO 9 11.439 -4.340 3.708 69 2HG PRO 9 2HG PRO 9 10.944 -5.965 4.223 70 1HD PRO 9 1HD PRO 9 9.266 -3.534 3.747 71 2HD PRO 9 2HD PRO 9 8.936 -5.230 3.335 72 H ALA 10 H ALA 10 10.016 -4.918 8.956 73 HA ALA 10 HA ALA 10 8.976 -2.228 9.526 74 1HB ALA 10 1HB ALA 10 8.008 -4.093 10.799 75 2HB ALA 10 2HB ALA 10 8.860 -2.961 11.851 76 3HB ALA 10 3HB ALA 10 9.611 -4.496 11.416 77 H GLN 11 H GLN 11 11.538 -2.770 8.303 78 HA GLN 11 HA GLN 11 13.470 -1.983 10.347 79 1HB GLN 11 1HB GLN 11 13.912 -2.516 7.397 80 2HB GLN 11 2HB GLN 11 15.151 -2.352 8.633 81 1HG GLN 11 1HG GLN 11 14.378 -4.396 9.703 82 2HG GLN 11 2HG GLN 11 13.108 -4.558 8.489 83 1HE2 GLN 11 1HE2 GLN 11 13.680 -5.091 6.364 84 2HE2 GLN 11 2HE2 GLN 11 15.207 -5.797 5.983 85 H SER 12 H SER 12 15.146 -0.502 8.570 86 HA SER 12 HA SER 12 14.239 2.101 8.756 87 1HB SER 12 1HB SER 12 16.100 1.009 6.634 88 2HB SER 12 2HB SER 12 16.047 2.663 7.245 89 HG SER 12 HG SER 12 17.713 1.589 8.282 90 H MET 13 H MET 13 13.150 3.458 7.464 91 HA MET 13 HA MET 13 11.018 2.597 5.960 92 1HB MET 13 1HB MET 13 11.286 4.856 6.935 93 2HB MET 13 2HB MET 13 12.460 5.237 5.684 94 1HG MET 13 1HG MET 13 10.344 6.204 5.106 95 2HG MET 13 2HG MET 13 10.708 4.897 3.982 96 1HE MET 13 1HE MET 13 9.442 4.633 7.682 97 2HE MET 13 2HE MET 13 7.697 4.535 7.455 98 3HE MET 13 3HE MET 13 8.556 6.027 7.065 99 H ASN 14 H ASN 14 14.266 3.377 4.864 100 HA ASN 14 HA ASN 14 13.906 3.379 2.111 101 1HB ASN 14 1HB ASN 14 16.040 3.910 3.249 102 2HB ASN 14 2HB ASN 14 16.242 2.205 3.638 103 1HD2 ASN 14 1HD2 ASN 14 16.801 0.756 2.006 104 2HD2 ASN 14 2HD2 ASN 14 17.387 1.286 0.470 105 H SER 15 H SER 15 14.098 0.647 4.345 106 HA SER 15 HA SER 15 14.422 -1.342 2.326 107 1HB SER 15 1HB SER 15 15.130 -1.663 4.699 108 2HB SER 15 2HB SER 15 13.432 -1.645 5.180 109 HG SER 15 HG SER 15 14.840 -3.575 3.671 110 H ALA 16 H ALA 16 11.711 -0.069 4.200 111 HA ALA 16 HA ALA 16 9.741 -1.852 3.274 112 1HB ALA 16 1HB ALA 16 8.134 -0.195 4.085 113 2HB ALA 16 2HB ALA 16 9.434 0.987 4.245 114 3HB ALA 16 3HB ALA 16 9.429 -0.463 5.252 115 H LEU 17 H LEU 17 10.703 1.370 2.152 116 HA LEU 17 HA LEU 17 8.758 1.568 0.123 117 1HB LEU 17 1HB LEU 17 11.442 2.926 0.356 118 2HB LEU 17 2HB LEU 17 10.183 3.377 -0.778 119 HG LEU 17 HG LEU 17 9.961 3.516 2.231 120 1HD1 LEU 17 1HD1 LEU 17 10.250 5.693 0.168 121 2HD1 LEU 17 2HD1 LEU 17 11.474 5.197 1.338 122 3HD1 LEU 17 3HD1 LEU 17 9.973 5.937 1.893 123 1HD2 LEU 17 1HD2 LEU 17 7.855 4.694 1.799 124 2HD2 LEU 17 2HD2 LEU 17 7.811 3.041 1.187 125 3HD2 LEU 17 3HD2 LEU 17 8.043 4.387 0.073 126 H GLN 18 H GLN 18 12.211 0.683 -0.061 127 HA GLN 18 HA GLN 18 12.225 0.137 -2.804 128 1HB GLN 18 1HB GLN 18 14.238 0.416 -1.368 129 2HB GLN 18 2HB GLN 18 13.929 -1.175 -0.686 130 1HG GLN 18 1HG GLN 18 14.307 -2.224 -2.798 131 2HG GLN 18 2HG GLN 18 14.401 -0.662 -3.609 132 1HE2 GLN 18 1HE2 GLN 18 16.445 -1.044 -4.399 133 2HE2 GLN 18 2HE2 GLN 18 17.856 -1.040 -3.393 134 H ALA 19 H ALA 19 11.456 -1.924 -0.053 135 HA ALA 19 HA ALA 19 11.157 -4.332 -1.515 136 1HB ALA 19 1HB ALA 19 9.809 -3.530 1.063 137 2HB ALA 19 2HB ALA 19 11.396 -4.288 0.925 138 3HB ALA 19 3HB ALA 19 9.954 -5.170 0.425 139 H LEU 20 H LEU 20 9.002 -1.623 -0.882 140 HA LEU 20 HA LEU 20 6.591 -2.902 -1.685 141 1HB LEU 20 1HB LEU 20 6.878 -0.772 -0.297 142 2HB LEU 20 2HB LEU 20 7.210 0.050 -1.804 143 HG LEU 20 HG LEU 20 4.870 0.299 -0.907 144 1HD1 LEU 20 1HD1 LEU 20 5.133 -0.909 -3.653 145 2HD1 LEU 20 2HD1 LEU 20 5.384 0.785 -3.234 146 3HD1 LEU 20 3HD1 LEU 20 3.782 0.065 -3.075 147 1HD2 LEU 20 1HD2 LEU 20 4.536 -1.968 -0.108 148 2HD2 LEU 20 2HD2 LEU 20 4.658 -2.585 -1.755 149 3HD2 LEU 20 3HD2 LEU 20 3.308 -1.545 -1.300 150 H ALA 21 H ALA 21 9.103 -1.057 -3.287 151 HA ALA 21 HA ALA 21 7.774 -0.624 -5.754 152 1HB ALA 21 1HB ALA 21 9.745 0.664 -5.050 153 2HB ALA 21 2HB ALA 21 9.978 -0.076 -6.634 154 3HB ALA 21 3HB ALA 21 10.740 -0.784 -5.210 155 H LYS 22 H LYS 22 10.167 -3.000 -4.725 156 HA LYS 22 HA LYS 22 10.267 -4.501 -7.096 157 1HB LYS 22 1HB LYS 22 11.987 -4.594 -5.370 158 2HB LYS 22 2HB LYS 22 10.839 -5.271 -4.228 159 1HG LYS 22 1HG LYS 22 10.663 -7.285 -5.628 160 2HG LYS 22 2HG LYS 22 11.872 -6.604 -6.723 161 1HD LYS 22 1HD LYS 22 13.478 -6.508 -4.864 162 2HD LYS 22 2HD LYS 22 12.269 -7.222 -3.795 163 1HE LYS 22 1HE LYS 22 13.420 -8.520 -6.262 164 2HE LYS 22 2HE LYS 22 13.897 -8.876 -4.603 165 1HZ LYS 22 1HZ LYS 22 11.485 -9.477 -4.230 166 2HZ LYS 22 2HZ LYS 22 12.383 -10.533 -5.199 167 3HZ LYS 22 3HZ LYS 22 11.304 -9.440 -5.919 168 H GLN 23 H GLN 23 8.416 -4.993 -4.109 169 HA GLN 23 HA GLN 23 7.474 -7.566 -4.871 170 1HB GLN 23 1HB GLN 23 7.892 -6.699 -2.541 171 2HB GLN 23 2HB GLN 23 6.402 -5.787 -2.692 172 1HG GLN 23 1HG GLN 23 5.139 -7.827 -2.942 173 2HG GLN 23 2HG GLN 23 6.629 -8.771 -2.896 174 1HE2 GLN 23 1HE2 GLN 23 6.184 -5.956 -0.920 175 2HE2 GLN 23 2HE2 GLN 23 6.060 -6.785 0.593 176 H THR 24 H THR 24 6.206 -4.345 -5.318 177 HA THR 24 HA THR 24 3.610 -5.508 -6.078 178 HB THR 24 HB THR 24 3.818 -2.573 -5.777 179 HG1 THR 24 HG1 THR 24 4.918 -2.970 -3.931 180 1HG2 THR 24 1HG2 THR 24 1.870 -4.627 -4.737 181 2HG2 THR 24 2HG2 THR 24 1.700 -3.721 -6.242 182 3HG2 THR 24 3HG2 THR 24 1.656 -2.878 -4.691 183 H ASP 25 H ASP 25 6.288 -4.978 -7.527 184 HA ASP 25 HA ASP 25 7.059 -4.389 -9.577 185 1HB ASP 25 1HB ASP 25 5.202 -6.056 -10.094 186 2HB ASP 25 2HB ASP 25 4.204 -4.668 -10.513 187 H THR 26 H THR 26 7.171 -2.190 -8.398 188 HA THR 26 HA THR 26 5.865 -0.196 -10.107 189 HB THR 26 HB THR 26 5.636 1.220 -7.944 190 HG1 THR 26 HG1 THR 26 6.128 -1.352 -6.968 191 1HG2 THR 26 1HG2 THR 26 3.729 0.462 -9.275 192 2HG2 THR 26 2HG2 THR 26 3.373 0.357 -7.550 193 3HG2 THR 26 3HG2 THR 26 3.774 -1.099 -8.460 194 H GLN 27 H GLN 27 6.856 1.961 -9.892 195 HA GLN 27 HA GLN 27 9.713 1.800 -9.182 196 1HB GLN 27 1HB GLN 27 9.315 2.270 -11.553 197 2HB GLN 27 2HB GLN 27 8.281 3.625 -11.130 198 1HG GLN 27 1HG GLN 27 10.455 4.405 -11.837 199 2HG GLN 27 2HG GLN 27 10.189 4.774 -10.134 200 1HE2 GLN 27 1HE2 GLN 27 11.987 2.884 -12.412 201 2HE2 GLN 27 2HE2 GLN 27 13.199 2.329 -11.304 202 H LEU 28 H LEU 28 10.342 2.972 -7.464 203 HA LEU 28 HA LEU 28 8.525 5.095 -6.542 204 1HB LEU 28 1HB LEU 28 10.122 3.176 -4.845 205 2HB LEU 28 2HB LEU 28 9.199 4.531 -4.229 206 HG LEU 28 HG LEU 28 8.088 2.077 -5.593 207 1HD1 LEU 28 1HD1 LEU 28 7.879 3.089 -2.764 208 2HD1 LEU 28 2HD1 LEU 28 8.790 1.682 -3.308 209 3HD1 LEU 28 3HD1 LEU 28 7.031 1.688 -3.415 210 1HD2 LEU 28 1HD2 LEU 28 6.626 4.467 -4.482 211 2HD2 LEU 28 2HD2 LEU 28 5.892 3.007 -5.150 212 3HD2 LEU 28 3HD2 LEU 28 6.819 4.087 -6.192 213 H LEU 29 H LEU 29 9.384 7.028 -6.375 214 HA LEU 29 HA LEU 29 12.310 7.268 -6.235 215 1HB LEU 29 1HB LEU 29 10.184 9.127 -7.280 216 2HB LEU 29 2HB LEU 29 11.797 9.692 -6.907 217 HG LEU 29 HG LEU 29 11.728 9.323 -9.243 218 1HD1 LEU 29 1HD1 LEU 29 13.403 7.600 -9.591 219 2HD1 LEU 29 2HD1 LEU 29 13.072 6.941 -7.987 220 3HD1 LEU 29 3HD1 LEU 29 13.767 8.555 -8.152 221 1HD2 LEU 29 1HD2 LEU 29 11.075 7.187 -10.254 222 2HD2 LEU 29 2HD2 LEU 29 9.745 7.940 -9.377 223 3HD2 LEU 29 3HD2 LEU 29 10.616 6.583 -8.662 224 H TYR 30 H TYR 30 13.155 7.897 -4.392 225 HA TYR 30 HA TYR 30 11.827 9.714 -2.601 226 1HB TYR 30 1HB TYR 30 11.810 8.155 -0.676 227 2HB TYR 30 2HB TYR 30 10.725 7.625 -1.955 228 HD1 TYR 30 HD1 TYR 30 11.269 5.652 -3.309 229 HD2 TYR 30 HD2 TYR 30 13.772 6.870 -0.084 230 HE1 TYR 30 HE1 TYR 30 12.379 3.462 -3.348 231 HE2 TYR 30 HE2 TYR 30 14.884 4.678 -0.119 232 HH TYR 30 HH TYR 30 14.482 2.458 -2.685 233 H SER 31 H SER 31 13.238 10.532 -1.011 234 HA SER 31 HA SER 31 16.064 9.863 -1.470 235 1HB SER 31 1HB SER 31 14.872 12.337 -0.196 236 2HB SER 31 2HB SER 31 16.575 12.077 -0.576 237 HG SER 31 HG SER 31 14.824 13.181 -2.119 238 HA PRO 32 HA PRO 32 15.740 7.737 2.494 239 1HB PRO 32 1HB PRO 32 18.669 7.544 2.064 240 2HB PRO 32 2HB PRO 32 17.496 6.269 2.404 241 1HG PRO 32 1HG PRO 32 18.532 6.550 -0.033 242 2HG PRO 32 2HG PRO 32 16.828 6.109 0.189 243 1HD PRO 32 1HD PRO 32 18.025 8.751 -0.538 244 2HD PRO 32 2HD PRO 32 16.550 7.974 -1.152 245 H GLU 33 H GLU 33 17.805 10.383 1.632 246 HA GLU 33 HA GLU 33 18.903 10.891 4.209 247 1HB GLU 33 1HB GLU 33 18.546 12.825 1.920 248 2HB GLU 33 2HB GLU 33 19.678 12.970 3.257 249 1HG GLU 33 1HG GLU 33 20.928 11.077 2.469 250 2HG GLU 33 2HG GLU 33 19.741 10.783 1.198 251 H ASP 34 H ASP 34 16.058 12.021 2.468 252 HA ASP 34 HA ASP 34 15.608 14.145 4.394 253 1HB ASP 34 1HB ASP 34 14.177 13.405 1.840 254 2HB ASP 34 2HB ASP 34 13.704 14.747 2.878 255 H ILE 35 H ILE 35 14.792 10.923 4.196 256 HA ILE 35 HA ILE 35 12.198 11.291 5.501 257 HB ILE 35 HB ILE 35 11.958 8.842 5.322 258 1HG1 ILE 35 1HG1 ILE 35 14.599 8.980 3.848 259 2HG1 ILE 35 2HG1 ILE 35 14.343 8.233 5.422 260 1HG2 ILE 35 1HG2 ILE 35 11.669 8.760 2.902 261 2HG2 ILE 35 2HG2 ILE 35 12.673 10.199 2.728 262 3HG2 ILE 35 3HG2 ILE 35 11.119 10.302 3.558 263 1HD1 ILE 35 1HD1 ILE 35 12.849 6.598 4.389 264 2HD1 ILE 35 2HD1 ILE 35 14.460 6.566 3.672 265 3HD1 ILE 35 3HD1 ILE 35 13.130 7.345 2.818 266 H GLY 36 H GLY 36 15.178 11.525 6.512 267 1HA GLY 36 1HA GLY 36 15.958 11.720 8.661 268 2HA GLY 36 2HA GLY 36 14.371 11.225 9.216 269 H GLY 37 H GLY 37 15.249 8.770 7.268 270 1HA GLY 37 1HA GLY 37 16.086 6.654 7.673 271 2HA GLY 37 2HA GLY 37 17.042 7.345 8.981 272 H LEU 38 H LEU 38 13.564 7.156 8.390 273 HA LEU 38 HA LEU 38 13.063 6.446 11.151 274 1HB LEU 38 1HB LEU 38 11.168 6.777 8.815 275 2HB LEU 38 2HB LEU 38 10.696 6.616 10.496 276 HG LEU 38 HG LEU 38 12.357 8.903 9.443 277 1HD1 LEU 38 1HD1 LEU 38 10.178 8.948 8.379 278 2HD1 LEU 38 2HD1 LEU 38 10.294 10.228 9.586 279 3HD1 LEU 38 3HD1 LEU 38 9.388 8.758 9.944 280 1HD2 LEU 38 1HD2 LEU 38 11.730 9.966 11.553 281 2HD2 LEU 38 2HD2 LEU 38 12.612 8.462 11.827 282 3HD2 LEU 38 3HD2 LEU 38 10.861 8.507 12.030 283 H ARG 39 H ARG 39 11.352 4.644 11.492 284 HA ARG 39 HA ARG 39 11.921 2.397 9.670 285 1HB ARG 39 1HB ARG 39 11.437 0.866 11.599 286 2HB ARG 39 2HB ARG 39 12.920 1.790 11.744 287 1HG ARG 39 1HG ARG 39 10.419 2.799 13.008 288 2HG ARG 39 2HG ARG 39 11.345 1.509 13.784 289 1HD ARG 39 1HD ARG 39 12.265 4.294 13.094 290 2HD ARG 39 2HD ARG 39 12.111 3.570 14.696 291 HE ARG 39 HE ARG 39 13.899 1.953 13.503 292 1HH1 ARG 39 1HH1 ARG 39 13.728 5.434 13.839 293 2HH1 ARG 39 2HH1 ARG 39 15.455 5.648 13.763 294 1HH2 ARG 39 1HH2 ARG 39 16.161 2.235 13.380 295 2HH2 ARG 39 2HH2 ARG 39 16.834 3.830 13.506 296 H SER 40 H SER 40 10.238 1.064 9.110 297 HA SER 40 HA SER 40 7.691 2.453 9.127 298 1HB SER 40 1HB SER 40 7.206 0.531 7.422 299 2HB SER 40 2HB SER 40 8.297 1.841 6.965 300 HG SER 40 HG SER 40 8.816 -0.820 7.307 301 H SER 41 H SER 41 5.697 1.304 9.385 302 HA SER 41 HA SER 41 5.769 -0.670 11.520 303 1HB SER 41 1HB SER 41 4.244 1.316 11.627 304 2HB SER 41 2HB SER 41 3.394 0.693 10.214 305 HG SER 41 HG SER 41 2.630 0.192 12.503 306 H ALA 42 H ALA 42 5.198 -2.772 11.256 307 HA ALA 42 HA ALA 42 5.465 -3.945 8.726 308 1HB ALA 42 1HB ALA 42 4.258 -5.158 11.212 309 2HB ALA 42 2HB ALA 42 5.978 -5.105 10.826 310 3HB ALA 42 3HB ALA 42 4.878 -6.037 9.814 311 H LEU 43 H LEU 43 4.048 -3.482 7.142 312 HA LEU 43 HA LEU 43 1.198 -3.998 7.686 313 1HB LEU 43 1HB LEU 43 2.039 -1.660 6.872 314 2HB LEU 43 2HB LEU 43 2.210 -2.450 5.318 315 HG LEU 43 HG LEU 43 0.093 -1.160 5.583 316 1HD1 LEU 43 1HD1 LEU 43 -1.390 -2.884 4.683 317 2HD1 LEU 43 2HD1 LEU 43 -0.242 -4.126 5.177 318 3HD1 LEU 43 3HD1 LEU 43 0.210 -2.948 3.946 319 1HD2 LEU 43 1HD2 LEU 43 -1.687 -2.099 6.973 320 2HD2 LEU 43 2HD2 LEU 43 -0.302 -1.595 7.941 321 3HD2 LEU 43 3HD2 LEU 43 -0.560 -3.304 7.597 322 H LYS 44 H LYS 44 1.008 -6.133 7.181 323 HA LYS 44 HA LYS 44 1.722 -6.861 4.446 324 1HB LYS 44 1HB LYS 44 2.423 -9.150 5.390 325 2HB LYS 44 2HB LYS 44 3.552 -7.810 5.493 326 1HG LYS 44 1HG LYS 44 2.724 -7.451 7.849 327 2HG LYS 44 2HG LYS 44 1.886 -8.998 7.688 328 1HD LYS 44 1HD LYS 44 3.942 -10.153 7.304 329 2HD LYS 44 2HD LYS 44 4.834 -8.635 7.195 330 1HE LYS 44 1HE LYS 44 4.205 -8.189 9.571 331 2HE LYS 44 2HE LYS 44 3.520 -9.813 9.634 332 1HZ LYS 44 1HZ LYS 44 6.357 -9.116 9.104 333 2HZ LYS 44 2HZ LYS 44 5.721 -10.684 9.030 334 3HZ LYS 44 3HZ LYS 44 5.739 -9.848 10.505 335 H GLY 45 H GLY 45 0.200 -7.808 3.395 336 1HA GLY 45 1HA GLY 45 -1.592 -9.743 4.254 337 2HA GLY 45 2HA GLY 45 -2.375 -8.188 4.510 338 H ARG 46 H ARG 46 -3.923 -8.991 2.873 339 HA ARG 46 HA ARG 46 -2.877 -8.928 0.133 340 1HB ARG 46 1HB ARG 46 -5.473 -9.852 1.329 341 2HB ARG 46 2HB ARG 46 -5.386 -9.457 -0.378 342 1HG ARG 46 1HG ARG 46 -5.126 -11.821 -0.088 343 2HG ARG 46 2HG ARG 46 -3.602 -11.136 -0.648 344 1HD ARG 46 1HD ARG 46 -3.258 -12.808 1.107 345 2HD ARG 46 2HD ARG 46 -2.715 -11.209 1.613 346 HE ARG 46 HE ARG 46 -5.000 -11.119 2.767 347 1HH1 ARG 46 1HH1 ARG 46 -3.244 -14.113 2.239 348 2HH1 ARG 46 2HH1 ARG 46 -3.799 -14.849 3.721 349 1HH2 ARG 46 1HH2 ARG 46 -5.750 -12.082 4.693 350 2HH2 ARG 46 2HH2 ARG 46 -5.225 -13.686 5.118 351 H HIS 47 H HIS 47 -2.525 -6.833 -0.349 352 HA HIS 47 HA HIS 47 -4.856 -5.042 -0.313 353 1HB HIS 47 1HB HIS 47 -2.118 -4.411 0.798 354 2HB HIS 47 2HB HIS 47 -3.262 -3.159 0.335 355 HD1 HIS 47 HD1 HIS 47 -5.141 -2.628 1.933 356 HD2 HIS 47 HD2 HIS 47 -2.881 -5.927 3.091 357 HE1 HIS 47 HE1 HIS 47 -5.860 -3.155 4.290 358 HE2 HIS 47 HE2 HIS 47 -4.388 -5.075 5.013 359 H ASP 48 H ASP 48 -4.880 -3.517 -1.978 360 HA ASP 48 HA ASP 48 -3.140 -4.108 -4.209 361 1HB ASP 48 1HB ASP 48 -4.506 -2.623 -5.506 362 2HB ASP 48 2HB ASP 48 -5.584 -3.581 -4.500 363 H LEU 49 H LEU 49 -2.490 -1.897 -5.449 364 HA LEU 49 HA LEU 49 -0.241 -0.975 -4.067 365 1HB LEU 49 1HB LEU 49 -0.426 -1.006 -6.512 366 2HB LEU 49 2HB LEU 49 -1.643 0.254 -6.443 367 HG LEU 49 HG LEU 49 0.045 1.798 -5.491 368 1HD1 LEU 49 1HD1 LEU 49 2.394 1.192 -5.535 369 2HD1 LEU 49 2HD1 LEU 49 1.980 -0.440 -6.062 370 3HD1 LEU 49 3HD1 LEU 49 1.495 0.120 -4.460 371 1HD2 LEU 49 1HD2 LEU 49 1.303 2.120 -7.563 372 2HD2 LEU 49 2HD2 LEU 49 -0.398 1.778 -7.885 373 3HD2 LEU 49 3HD2 LEU 49 0.814 0.514 -8.109 374 H GLN 50 H GLN 50 -3.225 0.820 -4.872 375 HA GLN 50 HA GLN 50 -2.442 3.166 -3.512 376 1HB GLN 50 1HB GLN 50 -4.131 3.178 -5.277 377 2HB GLN 50 2HB GLN 50 -5.204 2.213 -4.277 378 1HG GLN 50 1HG GLN 50 -5.455 4.004 -2.708 379 2HG GLN 50 2HG GLN 50 -4.223 4.955 -3.539 380 1HE2 GLN 50 1HE2 GLN 50 -7.470 3.709 -3.697 381 2HE2 GLN 50 2HE2 GLN 50 -8.032 4.775 -4.937 382 H SER 51 H SER 51 -4.288 0.330 -2.516 383 HA SER 51 HA SER 51 -5.208 1.271 -0.045 384 1HB SER 51 1HB SER 51 -5.995 -0.822 -1.076 385 2HB SER 51 2HB SER 51 -4.413 -1.553 -0.807 386 HG SER 51 HG SER 51 -6.356 -0.758 1.100 387 H SER 52 H SER 52 -2.279 -0.623 -0.784 388 HA SER 52 HA SER 52 -1.298 -0.645 1.845 389 1HB SER 52 1HB SER 52 0.911 -1.207 0.725 390 2HB SER 52 2HB SER 52 -0.442 -2.266 0.335 391 HG SER 52 HG SER 52 -0.591 -1.368 -1.653 392 H LEU 53 H LEU 53 -0.633 1.552 -0.865 393 HA LEU 53 HA LEU 53 1.366 3.067 0.376 394 1HB LEU 53 1HB LEU 53 -0.666 3.886 -1.705 395 2HB LEU 53 2HB LEU 53 0.701 4.871 -1.226 396 HG LEU 53 HG LEU 53 0.878 2.155 -2.530 397 1HD1 LEU 53 1HD1 LEU 53 1.414 4.920 -3.612 398 2HD1 LEU 53 2HD1 LEU 53 0.080 3.861 -4.070 399 3HD1 LEU 53 3HD1 LEU 53 1.740 3.405 -4.457 400 1HD2 LEU 53 1HD2 LEU 53 3.267 2.618 -2.684 401 2HD2 LEU 53 2HD2 LEU 53 2.738 2.590 -1.003 402 3HD2 LEU 53 3HD2 LEU 53 3.037 4.129 -1.806 403 H ARG 54 H ARG 54 -2.165 3.544 0.339 404 HA ARG 54 HA ARG 54 -2.150 6.024 1.662 405 1HB ARG 54 1HB ARG 54 -4.222 3.912 1.235 406 2HB ARG 54 2HB ARG 54 -4.558 5.255 2.322 407 1HG ARG 54 1HG ARG 54 -3.676 5.581 -0.539 408 2HG ARG 54 2HG ARG 54 -5.360 5.593 -0.009 409 1HD ARG 54 1HD ARG 54 -4.964 7.531 1.370 410 2HD ARG 54 2HD ARG 54 -3.236 7.470 1.025 411 HE ARG 54 HE ARG 54 -3.992 7.865 -1.390 412 1HH1 ARG 54 1HH1 ARG 54 -5.662 9.126 1.423 413 2HH1 ARG 54 2HH1 ARG 54 -6.287 10.513 0.576 414 1HH2 ARG 54 1HH2 ARG 54 -4.782 9.699 -2.490 415 2HH2 ARG 54 2HH2 ARG 54 -5.775 10.846 -1.640 416 H ILE 55 H ILE 55 -2.350 2.730 2.939 417 HA ILE 55 HA ILE 55 -2.783 3.584 5.631 418 HB ILE 55 HB ILE 55 -1.841 0.902 4.601 419 1HG1 ILE 55 1HG1 ILE 55 -4.609 1.847 5.385 420 2HG1 ILE 55 2HG1 ILE 55 -4.051 1.606 3.732 421 1HG2 ILE 55 1HG2 ILE 55 -2.988 1.657 7.288 422 2HG2 ILE 55 2HG2 ILE 55 -1.303 1.247 6.965 423 3HG2 ILE 55 3HG2 ILE 55 -2.563 0.029 6.762 424 1HD1 ILE 55 1HD1 ILE 55 -3.746 -0.776 4.189 425 2HD1 ILE 55 2HD1 ILE 55 -5.407 -0.258 4.473 426 3HD1 ILE 55 3HD1 ILE 55 -4.322 -0.528 5.836 427 H LEU 56 H LEU 56 0.042 2.474 3.808 428 HA LEU 56 HA LEU 56 1.803 2.389 6.031 429 1HB LEU 56 1HB LEU 56 1.985 1.229 3.741 430 2HB LEU 56 2HB LEU 56 2.630 2.747 3.159 431 HG LEU 56 HG LEU 56 3.893 1.220 5.434 432 1HD1 LEU 56 1HD1 LEU 56 4.526 1.085 2.488 433 2HD1 LEU 56 2HD1 LEU 56 3.844 -0.211 3.470 434 3HD1 LEU 56 3HD1 LEU 56 5.484 0.360 3.781 435 1HD2 LEU 56 1HD2 LEU 56 4.516 3.589 5.241 436 2HD2 LEU 56 2HD2 LEU 56 4.986 3.322 3.562 437 3HD2 LEU 56 3HD2 LEU 56 5.870 2.524 4.862 438 H LEU 57 H LEU 57 1.242 4.809 3.491 439 HA LEU 57 HA LEU 57 3.395 6.486 4.309 440 1HB LEU 57 1HB LEU 57 2.350 6.374 2.017 441 2HB LEU 57 2HB LEU 57 0.992 7.268 2.671 442 HG LEU 57 HG LEU 57 2.561 9.120 3.251 443 1HD1 LEU 57 1HD1 LEU 57 4.500 7.454 1.653 444 2HD1 LEU 57 2HD1 LEU 57 4.626 7.863 3.365 445 3HD1 LEU 57 3HD1 LEU 57 4.757 9.128 2.142 446 1HD2 LEU 57 1HD2 LEU 57 1.204 9.180 1.224 447 2HD2 LEU 57 2HD2 LEU 57 2.468 8.317 0.347 448 3HD2 LEU 57 3HD2 LEU 57 2.775 9.939 0.965 449 H GLN 58 H GLN 58 -0.047 6.418 4.963 450 HA GLN 58 HA GLN 58 -0.572 8.808 6.140 451 1HB GLN 58 1HB GLN 58 -2.220 7.038 5.825 452 2HB GLN 58 2HB GLN 58 -1.460 6.084 7.090 453 1HG GLN 58 1HG GLN 58 -2.022 7.865 8.708 454 2HG GLN 58 2HG GLN 58 -2.879 8.717 7.422 455 1HE2 GLN 58 1HE2 GLN 58 -2.835 5.246 7.699 456 2HE2 GLN 58 2HE2 GLN 58 -4.500 5.059 8.139 457 H GLY 59 H GLY 59 0.649 9.915 7.547 458 1HA GLY 59 1HA GLY 59 0.906 10.191 9.960 459 2HA GLY 59 2HA GLY 59 1.419 8.513 10.028 460 H THR 60 H THR 60 2.944 9.317 7.375 461 HA THR 60 HA THR 60 5.374 9.949 8.839 462 HB THR 60 HB THR 60 6.544 9.464 6.710 463 HG1 THR 60 HG1 THR 60 4.088 8.538 5.654 464 1HG2 THR 60 1HG2 THR 60 6.045 7.066 6.658 465 2HG2 THR 60 2HG2 THR 60 4.550 7.352 7.550 466 3HG2 THR 60 3HG2 THR 60 6.108 7.663 8.316 467 H GLY 61 H GLY 61 3.044 11.753 7.249 468 1HA GLY 61 1HA GLY 61 3.008 13.996 6.723 469 2HA GLY 61 2HA GLY 61 4.675 14.099 7.264 470 H LEU 62 H LEU 62 4.277 11.676 4.950 471 HA LEU 62 HA LEU 62 5.471 13.418 2.917 472 1HB LEU 62 1HB LEU 62 5.322 10.405 3.001 473 2HB LEU 62 2HB LEU 62 6.250 11.372 1.870 474 HG LEU 62 HG LEU 62 6.763 11.203 4.844 475 1HD1 LEU 62 1HD1 LEU 62 7.294 9.114 3.711 476 2HD1 LEU 62 2HD1 LEU 62 8.765 9.950 4.210 477 3HD1 LEU 62 3HD1 LEU 62 8.257 9.991 2.522 478 1HD2 LEU 62 1HD2 LEU 62 7.403 13.357 3.908 479 2HD2 LEU 62 2HD2 LEU 62 8.324 12.546 2.641 480 3HD2 LEU 62 3HD2 LEU 62 8.828 12.405 4.326 481 H ARG 63 H ARG 63 4.804 13.062 0.663 482 HA ARG 63 HA ARG 63 2.033 12.088 0.406 483 1HB ARG 63 1HB ARG 63 3.247 14.568 -0.818 484 2HB ARG 63 2HB ARG 63 1.710 13.882 -1.327 485 1HG ARG 63 1HG ARG 63 0.865 14.197 0.983 486 2HG ARG 63 2HG ARG 63 2.380 15.011 1.379 487 1HD ARG 63 1HD ARG 63 1.942 16.743 -0.208 488 2HD ARG 63 2HD ARG 63 0.538 15.880 -0.836 489 HE ARG 63 HE ARG 63 0.662 16.963 1.906 490 1HH1 ARG 63 1HH1 ARG 63 -1.013 16.440 -1.123 491 2HH1 ARG 63 2HH1 ARG 63 -2.507 17.145 -0.566 492 1HH2 ARG 63 1HH2 ARG 63 -1.283 17.886 2.648 493 2HH2 ARG 63 2HH2 ARG 63 -2.667 17.957 1.589 494 H TYR 64 H TYR 64 1.533 11.052 -1.530 495 HA TYR 64 HA TYR 64 3.910 10.314 -3.089 496 1HB TYR 64 1HB TYR 64 2.840 8.234 -3.695 497 2HB TYR 64 2HB TYR 64 2.824 8.411 -1.950 498 HD1 TYR 64 HD1 TYR 64 0.716 8.688 -0.748 499 HD2 TYR 64 HD2 TYR 64 0.773 8.268 -4.981 500 HE1 TYR 64 HE1 TYR 64 -1.692 8.181 -0.735 501 HE2 TYR 64 HE2 TYR 64 -1.626 7.771 -4.977 502 HH TYR 64 HH TYR 64 -3.338 7.007 -3.539 503 H GLN 65 H GLN 65 4.109 11.188 -4.996 504 HA GLN 65 HA GLN 65 1.721 11.983 -6.492 505 1HB GLN 65 1HB GLN 65 3.630 13.571 -6.308 506 2HB GLN 65 2HB GLN 65 4.653 12.403 -7.133 507 1HG GLN 65 1HG GLN 65 3.904 14.146 -8.647 508 2HG GLN 65 2HG GLN 65 3.276 12.572 -9.125 509 1HE2 GLN 65 1HE2 GLN 65 2.490 15.715 -7.864 510 2HE2 GLN 65 2HE2 GLN 65 0.776 15.574 -8.040 511 H ILE 66 H ILE 66 0.833 10.379 -7.617 512 HA ILE 66 HA ILE 66 2.559 8.174 -8.483 513 HB ILE 66 HB ILE 66 0.822 7.486 -6.960 514 1HG1 ILE 66 1HG1 ILE 66 0.127 6.610 -9.773 515 2HG1 ILE 66 2HG1 ILE 66 1.430 5.946 -8.794 516 1HG2 ILE 66 1HG2 ILE 66 -1.562 7.708 -7.506 517 2HG2 ILE 66 2HG2 ILE 66 -1.135 8.671 -8.920 518 3HG2 ILE 66 3HG2 ILE 66 -0.775 9.273 -7.302 519 1HD1 ILE 66 1HD1 ILE 66 -0.193 5.125 -7.174 520 2HD1 ILE 66 2HD1 ILE 66 -0.528 4.499 -8.789 521 3HD1 ILE 66 3HD1 ILE 66 -1.506 5.813 -8.132 522 H ASP 67 H ASP 67 2.979 7.883 -10.531 523 HA ASP 67 HA ASP 67 1.085 8.877 -12.557 524 1HB ASP 67 1HB ASP 67 3.106 10.315 -12.440 525 2HB ASP 67 2HB ASP 67 4.107 8.903 -12.763 526 H GLY 68 H GLY 68 0.163 6.857 -12.768 527 1HA GLY 68 1HA GLY 68 -0.114 4.782 -13.722 528 2HA GLY 68 2HA GLY 68 1.401 5.054 -14.563 529 H ASN 69 H ASN 69 3.265 4.147 -13.799 530 HA ASN 69 HA ASN 69 2.933 2.290 -11.532 531 1HB ASN 69 1HB ASN 69 4.540 0.807 -12.575 532 2HB ASN 69 2HB ASN 69 3.262 1.172 -13.728 533 1HD2 ASN 69 1HD2 ASN 69 5.994 0.244 -14.167 534 2HD2 ASN 69 2HD2 ASN 69 6.722 1.415 -15.220 535 H THR 70 H THR 70 4.274 5.134 -12.337 536 HA THR 70 HA THR 70 6.677 4.733 -10.689 537 HB THR 70 HB THR 70 6.048 7.001 -12.600 538 HG1 THR 70 HG1 THR 70 6.567 5.350 -13.913 539 1HG2 THR 70 1HG2 THR 70 8.588 6.336 -11.108 540 2HG2 THR 70 2HG2 THR 70 7.506 7.684 -10.753 541 3HG2 THR 70 3HG2 THR 70 8.390 7.638 -12.281 542 H VAL 71 H VAL 71 6.863 5.792 -8.785 543 HA VAL 71 HA VAL 71 4.746 7.712 -8.084 544 HB VAL 71 HB VAL 71 5.799 5.533 -6.272 545 1HG1 VAL 71 1HG1 VAL 71 5.222 7.491 -5.007 546 2HG1 VAL 71 2HG1 VAL 71 3.964 6.275 -4.772 547 3HG1 VAL 71 3HG1 VAL 71 3.686 7.636 -5.859 548 1HG2 VAL 71 1HG2 VAL 71 3.116 5.789 -7.629 549 2HG2 VAL 71 2HG2 VAL 71 3.553 4.561 -6.441 550 3HG2 VAL 71 3HG2 VAL 71 4.369 4.602 -8.003 551 H THR 72 H THR 72 5.474 9.526 -7.194 552 HA THR 72 HA THR 72 8.295 9.621 -6.353 553 HB THR 72 HB THR 72 6.514 11.932 -7.167 554 HG1 THR 72 HG1 THR 72 8.667 10.988 -8.728 555 1HG2 THR 72 1HG2 THR 72 9.505 11.770 -6.758 556 2HG2 THR 72 2HG2 THR 72 8.361 12.569 -5.680 557 3HG2 THR 72 3HG2 THR 72 8.614 13.190 -7.313 558 H VAL 73 H VAL 73 8.517 9.523 -4.213 559 HA VAL 73 HA VAL 73 6.351 10.418 -2.477 560 HB VAL 73 HB VAL 73 8.976 9.128 -1.698 561 1HG1 VAL 73 1HG1 VAL 73 6.402 9.491 -0.162 562 2HG1 VAL 73 2HG1 VAL 73 7.914 10.356 0.119 563 3HG1 VAL 73 3HG1 VAL 73 7.826 8.617 0.405 564 1HG2 VAL 73 1HG2 VAL 73 7.708 7.042 -1.496 565 2HG2 VAL 73 2HG2 VAL 73 7.696 7.645 -3.153 566 3HG2 VAL 73 3HG2 VAL 73 6.275 7.850 -2.128 567 H THR 74 H THR 74 6.315 12.518 -2.108 568 HA THR 74 HA THR 74 8.871 13.911 -1.656 569 HB THR 74 HB THR 74 7.668 14.727 -3.636 570 HG1 THR 74 HG1 THR 74 7.216 16.951 -2.182 571 1HG2 THR 74 1HG2 THR 74 5.380 14.211 -2.968 572 2HG2 THR 74 2HG2 THR 74 5.528 15.916 -3.392 573 3HG2 THR 74 3HG2 THR 74 5.460 15.431 -1.696 574 H ALA 75 H ALA 75 9.037 15.354 0.071 575 HA ALA 75 HA ALA 75 7.338 14.769 2.319 576 1HB ALA 75 1HB ALA 75 9.759 14.993 2.618 577 2HB ALA 75 2HB ALA 75 8.882 16.184 3.579 578 3HB ALA 75 3HB ALA 75 9.670 16.669 2.077 579 H SER 76 H SER 76 5.760 16.058 3.147 580 HA SER 76 HA SER 76 4.814 18.204 1.494 581 1HB SER 76 1HB SER 76 3.312 16.581 2.686 582 2HB SER 76 2HB SER 76 3.780 17.341 4.205 583 HG SER 76 HG SER 76 3.027 19.260 2.509 584 H ALA 77 H ALA 77 6.798 17.909 4.261 585 HA ALA 77 HA ALA 77 7.934 19.360 5.564 586 1HB ALA 77 1HB ALA 77 7.324 21.382 3.411 587 2HB ALA 77 2HB ALA 77 8.664 20.237 3.381 588 3HB ALA 77 3HB ALA 77 8.599 21.487 4.624 589 H ALA 78 H ALA 78 5.856 21.916 4.333 590 HA ALA 78 HA ALA 78 4.132 21.853 6.653 591 1HB ALA 78 1HB ALA 78 4.698 24.089 7.437 592 2HB ALA 78 2HB ALA 78 5.969 24.212 6.222 593 3HB ALA 78 3HB ALA 78 6.104 23.029 7.521 594 H ALA 79 H ALA 79 4.125 21.845 3.606 595 HA ALA 79 HA ALA 79 1.945 23.716 3.256 596 1HB ALA 79 1HB ALA 79 2.968 24.923 1.396 597 2HB ALA 79 2HB ALA 79 4.475 24.039 1.642 598 3HB ALA 79 3HB ALA 79 3.891 25.149 2.881 599 H LYS 80 H LYS 80 1.209 23.631 0.861 600 HA LYS 80 HA LYS 80 1.706 20.948 -0.253 601 1HB LYS 80 1HB LYS 80 -0.655 20.857 -0.968 602 2HB LYS 80 2HB LYS 80 -0.501 20.927 0.782 603 1HG LYS 80 1HG LYS 80 -1.236 23.142 0.875 604 2HG LYS 80 2HG LYS 80 -0.974 23.394 -0.853 605 1HD LYS 80 1HD LYS 80 -3.356 23.171 -0.330 606 2HD LYS 80 2HD LYS 80 -2.798 21.858 -1.366 607 1HE LYS 80 1HE LYS 80 -2.657 20.378 0.563 608 2HE LYS 80 2HE LYS 80 -3.163 21.692 1.623 609 1HZ LYS 80 1HZ LYS 80 -5.003 20.229 1.079 610 2HZ LYS 80 2HZ LYS 80 -4.788 20.523 -0.575 611 3HZ LYS 80 3HZ LYS 80 -5.275 21.781 0.455 612 H ASP 81 H ASP 81 2.639 23.792 -0.754 613 HA ASP 81 HA ASP 81 2.347 23.670 -3.656 614 1HB ASP 81 1HB ASP 81 1.631 26.049 -1.951 615 2HB ASP 81 2HB ASP 81 2.198 26.261 -3.603 616 H GLY 82 H GLY 82 4.148 24.352 -4.748 617 1HA GLY 82 1HA GLY 82 6.193 25.705 -4.765 618 2HA GLY 82 2HA GLY 82 6.394 25.270 -3.073 Start of MODEL 9 1 1H SER 1 1H SER 1 -10.945 -7.514 -4.952 2 2H SER 1 2H SER 1 -9.702 -6.427 -5.334 3 3H SER 1 3H SER 1 -9.333 -7.936 -4.653 4 HA SER 1 HA SER 1 -10.086 -9.077 -6.591 5 1HB SER 1 1HB SER 1 -11.831 -7.295 -7.124 6 2HB SER 1 2HB SER 1 -10.525 -6.358 -7.847 7 HG SER 1 HG SER 1 -10.536 -7.629 -9.529 8 H GLN 2 H GLN 2 -8.187 -9.831 -7.191 9 HA GLN 2 HA GLN 2 -6.019 -9.998 -7.808 10 1HB GLN 2 1HB GLN 2 -6.645 -7.456 -9.314 11 2HB GLN 2 2HB GLN 2 -5.215 -8.447 -9.564 12 1HG GLN 2 1HG GLN 2 -6.748 -10.347 -10.131 13 2HG GLN 2 2HG GLN 2 -8.078 -9.191 -10.092 14 1HE2 GLN 2 1HE2 GLN 2 -5.233 -10.234 -11.775 15 2HE2 GLN 2 2HE2 GLN 2 -5.516 -9.340 -13.229 16 H GLU 3 H GLU 3 -5.447 -9.667 -5.613 17 HA GLU 3 HA GLU 3 -4.260 -7.038 -4.988 18 1HB GLU 3 1HB GLU 3 -4.830 -9.301 -3.061 19 2HB GLU 3 2HB GLU 3 -4.364 -7.656 -2.660 20 1HG GLU 3 1HG GLU 3 -6.597 -7.597 -2.217 21 2HG GLU 3 2HG GLU 3 -6.579 -7.037 -3.886 22 H TRP 4 H TRP 4 -2.336 -7.374 -3.403 23 HA TRP 4 HA TRP 4 -0.678 -9.649 -4.260 24 1HB TRP 4 1HB TRP 4 0.207 -6.775 -3.888 25 2HB TRP 4 2HB TRP 4 1.302 -8.130 -4.132 26 HD1 TRP 4 HD1 TRP 4 1.278 -9.282 -6.591 27 HE1 TRP 4 HE1 TRP 4 0.670 -8.304 -8.893 28 HE3 TRP 4 HE3 TRP 4 -1.296 -5.140 -5.048 29 HZ2 TRP 4 HZ2 TRP 4 -0.716 -6.060 -9.916 30 HZ3 TRP 4 HZ3 TRP 4 -2.223 -3.625 -6.752 31 HH2 TRP 4 HH2 TRP 4 -1.937 -4.076 -9.133 32 H THR 5 H THR 5 0.812 -10.381 -2.632 33 HA THR 5 HA THR 5 -0.011 -9.634 0.050 34 HB THR 5 HB THR 5 0.281 -12.010 -0.315 35 HG1 THR 5 HG1 THR 5 2.449 -11.032 1.275 36 1HG2 THR 5 1HG2 THR 5 2.461 -13.008 -0.832 37 2HG2 THR 5 2HG2 THR 5 3.142 -11.397 -1.052 38 3HG2 THR 5 3HG2 THR 5 1.885 -11.979 -2.144 39 H LEU 6 H LEU 6 0.725 -7.725 0.535 40 HA LEU 6 HA LEU 6 3.403 -6.938 -0.297 41 1HB LEU 6 1HB LEU 6 1.120 -5.307 0.821 42 2HB LEU 6 2HB LEU 6 2.671 -4.657 0.318 43 HG LEU 6 HG LEU 6 0.634 -5.990 -1.471 44 1HD1 LEU 6 1HD1 LEU 6 -0.020 -3.755 -0.810 45 2HD1 LEU 6 2HD1 LEU 6 0.472 -3.775 -2.504 46 3HD1 LEU 6 3HD1 LEU 6 1.563 -3.133 -1.274 47 1HD2 LEU 6 1HD2 LEU 6 3.313 -4.792 -2.154 48 2HD2 LEU 6 2HD2 LEU 6 2.120 -5.387 -3.309 49 3HD2 LEU 6 3HD2 LEU 6 2.903 -6.507 -2.194 50 H ASP 7 H ASP 7 4.730 -7.833 1.100 51 HA ASP 7 HA ASP 7 4.272 -7.479 3.971 52 1HB ASP 7 1HB ASP 7 6.050 -9.394 2.443 53 2HB ASP 7 2HB ASP 7 6.152 -9.175 4.188 54 H ILE 8 H ILE 8 5.012 -5.549 4.466 55 HA ILE 8 HA ILE 8 7.497 -4.642 3.207 56 HB ILE 8 HB ILE 8 5.084 -3.131 4.182 57 1HG1 ILE 8 1HG1 ILE 8 6.336 -3.340 1.442 58 2HG1 ILE 8 2HG1 ILE 8 5.046 -4.392 2.003 59 1HG2 ILE 8 1HG2 ILE 8 6.200 -1.095 3.380 60 2HG2 ILE 8 2HG2 ILE 8 7.663 -2.025 3.064 61 3HG2 ILE 8 3HG2 ILE 8 7.082 -1.831 4.717 62 1HD1 ILE 8 1HD1 ILE 8 4.905 -1.419 1.616 63 2HD1 ILE 8 2HD1 ILE 8 3.611 -2.419 2.284 64 3HD1 ILE 8 3HD1 ILE 8 4.150 -2.668 0.620 65 HA PRO 9 HA PRO 9 9.524 -5.100 7.059 66 1HB PRO 9 1HB PRO 9 11.344 -3.065 5.897 67 2HB PRO 9 2HB PRO 9 11.706 -4.676 6.528 68 1HG PRO 9 1HG PRO 9 11.697 -4.224 3.909 69 2HG PRO 9 2HG PRO 9 11.036 -5.733 4.570 70 1HD PRO 9 1HD PRO 9 9.598 -3.304 3.580 71 2HD PRO 9 2HD PRO 9 9.197 -5.020 3.357 72 H ALA 10 H ALA 10 10.171 -3.994 8.894 73 HA ALA 10 HA ALA 10 8.946 -1.332 9.237 74 1HB ALA 10 1HB ALA 10 9.593 -3.428 11.315 75 2HB ALA 10 2HB ALA 10 7.991 -3.077 10.665 76 3HB ALA 10 3HB ALA 10 8.838 -1.864 11.626 77 H GLN 11 H GLN 11 11.503 -1.922 8.075 78 HA GLN 11 HA GLN 11 13.420 -0.932 10.050 79 1HB GLN 11 1HB GLN 11 13.806 -2.026 7.253 80 2HB GLN 11 2HB GLN 11 15.104 -1.503 8.315 81 1HG GLN 11 1HG GLN 11 14.782 -3.287 9.786 82 2HG GLN 11 2HG GLN 11 13.184 -3.651 9.136 83 1HE2 GLN 11 1HE2 GLN 11 14.040 -3.393 6.382 84 2HE2 GLN 11 2HE2 GLN 11 14.943 -4.825 6.016 85 H SER 12 H SER 12 15.172 0.341 8.254 86 HA SER 12 HA SER 12 14.125 2.900 7.974 87 1HB SER 12 1HB SER 12 16.050 3.243 6.367 88 2HB SER 12 2HB SER 12 16.498 2.591 7.941 89 HG SER 12 HG SER 12 17.451 1.116 6.783 90 H MET 13 H MET 13 13.053 3.957 6.420 91 HA MET 13 HA MET 13 11.264 2.687 4.774 92 1HB MET 13 1HB MET 13 12.369 5.462 4.811 93 2HB MET 13 2HB MET 13 11.266 4.983 3.527 94 1HG MET 13 1HG MET 13 9.518 4.611 5.002 95 2HG MET 13 2HG MET 13 10.583 4.551 6.406 96 1HE MET 13 1HE MET 13 7.968 6.147 6.591 97 2HE MET 13 2HE MET 13 8.494 7.694 7.256 98 3HE MET 13 3HE MET 13 9.188 6.191 7.865 99 H ASN 14 H ASN 14 14.584 3.428 4.064 100 HA ASN 14 HA ASN 14 14.592 3.264 1.292 101 1HB ASN 14 1HB ASN 14 16.593 3.822 2.624 102 2HB ASN 14 2HB ASN 14 16.667 2.160 3.200 103 1HD2 ASN 14 1HD2 ASN 14 18.624 1.668 2.348 104 2HD2 ASN 14 2HD2 ASN 14 18.937 1.568 0.646 105 H SER 15 H SER 15 14.581 0.661 3.719 106 HA SER 15 HA SER 15 14.834 -1.421 1.757 107 1HB SER 15 1HB SER 15 13.881 -1.739 4.614 108 2HB SER 15 2HB SER 15 14.710 -2.922 3.598 109 HG SER 15 HG SER 15 16.594 -1.989 3.977 110 H ALA 16 H ALA 16 12.262 -0.054 3.750 111 HA ALA 16 HA ALA 16 10.238 -1.872 3.107 112 1HB ALA 16 1HB ALA 16 9.951 1.028 3.872 113 2HB ALA 16 2HB ALA 16 10.132 -0.322 4.996 114 3HB ALA 16 3HB ALA 16 8.699 -0.211 3.974 115 H LEU 17 H LEU 17 10.946 1.317 1.694 116 HA LEU 17 HA LEU 17 8.792 1.218 -0.143 117 1HB LEU 17 1HB LEU 17 11.321 2.867 -0.218 118 2HB LEU 17 2HB LEU 17 9.900 3.150 -1.200 119 HG LEU 17 HG LEU 17 9.987 3.333 1.808 120 1HD1 LEU 17 1HD1 LEU 17 9.760 5.734 1.457 121 2HD1 LEU 17 2HD1 LEU 17 9.861 5.495 -0.287 122 3HD1 LEU 17 3HD1 LEU 17 11.247 5.118 0.736 123 1HD2 LEU 17 1HD2 LEU 17 7.804 2.650 0.985 124 2HD2 LEU 17 2HD2 LEU 17 7.798 3.994 -0.158 125 3HD2 LEU 17 3HD2 LEU 17 7.755 4.310 1.578 126 H GLN 18 H GLN 18 12.224 0.402 -0.393 127 HA GLN 18 HA GLN 18 12.251 -0.215 -3.139 128 1HB GLN 18 1HB GLN 18 14.228 0.109 -1.565 129 2HB GLN 18 2HB GLN 18 13.953 -1.542 -1.034 130 1HG GLN 18 1HG GLN 18 14.346 -2.348 -3.297 131 2HG GLN 18 2HG GLN 18 14.583 -0.690 -3.850 132 1HE2 GLN 18 1HE2 GLN 18 16.428 0.439 -3.178 133 2HE2 GLN 18 2HE2 GLN 18 17.834 -0.387 -2.594 134 H ALA 19 H ALA 19 11.358 -2.088 -0.310 135 HA ALA 19 HA ALA 19 11.210 -4.614 -1.588 136 1HB ALA 19 1HB ALA 19 9.901 -5.318 0.350 137 2HB ALA 19 2HB ALA 19 9.722 -3.637 0.851 138 3HB ALA 19 3HB ALA 19 11.317 -4.391 0.848 139 H LEU 20 H LEU 20 8.943 -1.960 -1.167 140 HA LEU 20 HA LEU 20 6.624 -3.320 -2.086 141 1HB LEU 20 1HB LEU 20 6.487 -1.268 -0.762 142 2HB LEU 20 2HB LEU 20 7.305 -0.377 -2.030 143 HG LEU 20 HG LEU 20 5.383 -0.788 -3.534 144 1HD1 LEU 20 1HD1 LEU 20 4.580 -2.863 -2.529 145 2HD1 LEU 20 2HD1 LEU 20 3.298 -1.654 -2.625 146 3HD1 LEU 20 3HD1 LEU 20 4.092 -1.978 -1.083 147 1HD2 LEU 20 1HD2 LEU 20 5.500 1.277 -2.286 148 2HD2 LEU 20 2HD2 LEU 20 4.735 0.512 -0.894 149 3HD2 LEU 20 3HD2 LEU 20 3.825 0.735 -2.388 150 H ALA 21 H ALA 21 9.271 -1.634 -3.575 151 HA ALA 21 HA ALA 21 8.131 -1.122 -6.114 152 1HB ALA 21 1HB ALA 21 10.180 -0.020 -5.325 153 2HB ALA 21 2HB ALA 21 10.416 -0.810 -6.885 154 3HB ALA 21 3HB ALA 21 11.033 -1.563 -5.414 155 H LYS 22 H LYS 22 10.099 -3.782 -4.868 156 HA LYS 22 HA LYS 22 10.112 -5.345 -7.210 157 1HB LYS 22 1HB LYS 22 11.615 -5.694 -5.268 158 2HB LYS 22 2HB LYS 22 10.243 -6.279 -4.337 159 1HG LYS 22 1HG LYS 22 9.965 -8.073 -6.071 160 2HG LYS 22 2HG LYS 22 11.506 -7.552 -6.751 161 1HD LYS 22 1HD LYS 22 11.948 -9.390 -5.304 162 2HD LYS 22 2HD LYS 22 12.527 -7.932 -4.496 163 1HE LYS 22 1HE LYS 22 11.383 -9.261 -2.871 164 2HE LYS 22 2HE LYS 22 10.367 -7.867 -3.236 165 1HZ LYS 22 1HZ LYS 22 9.025 -9.837 -3.154 166 2HZ LYS 22 2HZ LYS 22 10.023 -10.638 -4.263 167 3HZ LYS 22 3HZ LYS 22 9.093 -9.314 -4.766 168 H GLN 23 H GLN 23 7.943 -5.309 -4.416 169 HA GLN 23 HA GLN 23 6.567 -7.678 -5.075 170 1HB GLN 23 1HB GLN 23 5.800 -5.387 -3.268 171 2HB GLN 23 2HB GLN 23 4.927 -6.915 -3.357 172 1HG GLN 23 1HG GLN 23 6.876 -8.119 -2.608 173 2HG GLN 23 2HG GLN 23 7.830 -6.637 -2.621 174 1HE2 GLN 23 1HE2 GLN 23 8.331 -6.844 -0.435 175 2HE2 GLN 23 2HE2 GLN 23 7.158 -6.544 0.808 176 H THR 24 H THR 24 5.839 -4.279 -5.822 177 HA THR 24 HA THR 24 3.540 -5.258 -7.383 178 HB THR 24 HB THR 24 2.912 -2.752 -7.417 179 HG1 THR 24 HG1 THR 24 4.613 -1.709 -6.540 180 1HG2 THR 24 1HG2 THR 24 1.763 -2.947 -5.254 181 2HG2 THR 24 2HG2 THR 24 2.786 -4.325 -4.840 182 3HG2 THR 24 3HG2 THR 24 1.654 -4.441 -6.187 183 H ASP 25 H ASP 25 6.497 -5.070 -8.030 184 HA ASP 25 HA ASP 25 7.941 -4.335 -9.620 185 1HB ASP 25 1HB ASP 25 7.218 -4.850 -11.919 186 2HB ASP 25 2HB ASP 25 6.828 -6.131 -10.784 187 H THR 26 H THR 26 6.794 -2.158 -8.406 188 HA THR 26 HA THR 26 6.120 -0.278 -10.548 189 HB THR 26 HB THR 26 5.720 1.228 -8.435 190 HG1 THR 26 HG1 THR 26 6.458 -0.057 -6.808 191 1HG2 THR 26 1HG2 THR 26 3.950 0.482 -9.949 192 2HG2 THR 26 2HG2 THR 26 3.419 0.394 -8.269 193 3HG2 THR 26 3HG2 THR 26 3.891 -1.075 -9.124 194 H GLN 27 H GLN 27 7.011 1.945 -10.293 195 HA GLN 27 HA GLN 27 9.847 1.851 -9.525 196 1HB GLN 27 1HB GLN 27 8.367 3.111 -11.735 197 2HB GLN 27 2HB GLN 27 9.559 4.158 -10.974 198 1HG GLN 27 1HG GLN 27 10.172 1.390 -11.976 199 2HG GLN 27 2HG GLN 27 10.379 2.853 -12.942 200 1HE2 GLN 27 1HE2 GLN 27 12.346 0.896 -11.966 201 2HE2 GLN 27 2HE2 GLN 27 13.510 1.814 -11.073 202 H LEU 28 H LEU 28 10.391 2.882 -7.717 203 HA LEU 28 HA LEU 28 8.566 4.984 -6.758 204 1HB LEU 28 1HB LEU 28 10.063 2.870 -5.239 205 2HB LEU 28 2HB LEU 28 9.574 4.359 -4.456 206 HG LEU 28 HG LEU 28 7.197 3.793 -5.203 207 1HD1 LEU 28 1HD1 LEU 28 7.768 2.093 -6.859 208 2HD1 LEU 28 2HD1 LEU 28 6.719 1.442 -5.599 209 3HD1 LEU 28 3HD1 LEU 28 8.446 1.078 -5.584 210 1HD2 LEU 28 1HD2 LEU 28 6.846 2.333 -3.290 211 2HD2 LEU 28 2HD2 LEU 28 7.984 3.624 -2.902 212 3HD2 LEU 28 3HD2 LEU 28 8.576 1.994 -3.220 213 H LEU 29 H LEU 29 9.371 6.908 -6.362 214 HA LEU 29 HA LEU 29 12.287 7.250 -6.489 215 1HB LEU 29 1HB LEU 29 10.005 9.094 -7.166 216 2HB LEU 29 2HB LEU 29 11.623 9.701 -6.899 217 HG LEU 29 HG LEU 29 11.314 9.519 -9.246 218 1HD1 LEU 29 1HD1 LEU 29 13.504 8.845 -8.457 219 2HD1 LEU 29 2HD1 LEU 29 13.043 7.917 -9.887 220 3HD1 LEU 29 3HD1 LEU 29 12.949 7.178 -8.287 221 1HD2 LEU 29 1HD2 LEU 29 10.455 6.667 -8.786 222 2HD2 LEU 29 2HD2 LEU 29 10.696 7.427 -10.359 223 3HD2 LEU 29 3HD2 LEU 29 9.420 8.004 -9.288 224 H TYR 30 H TYR 30 13.234 7.582 -4.615 225 HA TYR 30 HA TYR 30 12.064 9.328 -2.640 226 1HB TYR 30 1HB TYR 30 12.199 7.698 -0.804 227 2HB TYR 30 2HB TYR 30 11.053 7.174 -2.030 228 HD1 TYR 30 HD1 TYR 30 11.601 5.267 -3.501 229 HD2 TYR 30 HD2 TYR 30 14.193 6.449 -0.344 230 HE1 TYR 30 HE1 TYR 30 12.756 3.101 -3.649 231 HE2 TYR 30 HE2 TYR 30 15.357 4.289 -0.480 232 HH TYR 30 HH TYR 30 15.059 2.069 -1.282 233 H SER 31 H SER 31 13.586 10.245 -1.323 234 HA SER 31 HA SER 31 16.378 9.541 -1.929 235 1HB SER 31 1HB SER 31 15.780 11.835 -2.550 236 2HB SER 31 2HB SER 31 15.184 12.137 -0.918 237 HG SER 31 HG SER 31 17.611 12.526 -1.796 238 HA PRO 32 HA PRO 32 16.632 7.959 2.254 239 1HB PRO 32 1HB PRO 32 19.531 8.360 1.734 240 2HB PRO 32 2HB PRO 32 18.672 6.912 2.273 241 1HG PRO 32 1HG PRO 32 19.577 7.101 -0.224 242 2HG PRO 32 2HG PRO 32 18.012 6.341 0.122 243 1HD PRO 32 1HD PRO 32 18.596 9.073 -0.959 244 2HD PRO 32 2HD PRO 32 17.313 7.930 -1.413 245 H GLU 33 H GLU 33 18.235 10.821 1.031 246 HA GLU 33 HA GLU 33 18.911 11.935 3.579 247 1HB GLU 33 1HB GLU 33 18.473 13.360 0.949 248 2HB GLU 33 2HB GLU 33 19.280 14.020 2.361 249 1HG GLU 33 1HG GLU 33 21.049 12.334 2.110 250 2HG GLU 33 2HG GLU 33 20.246 11.737 0.656 251 H ASP 34 H ASP 34 16.135 11.950 1.486 252 HA ASP 34 HA ASP 34 14.891 14.217 2.747 253 1HB ASP 34 1HB ASP 34 14.604 13.743 0.333 254 2HB ASP 34 2HB ASP 34 13.750 12.259 0.742 255 H ILE 35 H ILE 35 14.777 10.745 3.067 256 HA ILE 35 HA ILE 35 12.468 10.900 4.840 257 HB ILE 35 HB ILE 35 12.825 8.408 5.076 258 1HG1 ILE 35 1HG1 ILE 35 14.798 8.881 2.832 259 2HG1 ILE 35 2HG1 ILE 35 15.208 8.383 4.469 260 1HG2 ILE 35 1HG2 ILE 35 12.379 9.449 2.282 261 2HG2 ILE 35 2HG2 ILE 35 11.165 9.360 3.560 262 3HG2 ILE 35 3HG2 ILE 35 11.864 7.878 2.906 263 1HD1 ILE 35 1HD1 ILE 35 13.516 6.781 2.565 264 2HD1 ILE 35 2HD1 ILE 35 14.088 6.281 4.157 265 3HD1 ILE 35 3HD1 ILE 35 15.238 6.536 2.846 266 H GLY 36 H GLY 36 15.904 10.840 5.008 267 1HA GLY 36 1HA GLY 36 17.251 11.282 6.820 268 2HA GLY 36 2HA GLY 36 15.804 11.401 7.807 269 H GLY 37 H GLY 37 15.757 8.485 6.205 270 1HA GLY 37 1HA GLY 37 16.432 6.335 6.785 271 2HA GLY 37 2HA GLY 37 17.420 7.022 8.067 272 H LEU 38 H LEU 38 13.988 7.620 7.583 273 HA LEU 38 HA LEU 38 13.418 6.905 10.310 274 1HB LEU 38 1HB LEU 38 11.637 7.729 8.016 275 2HB LEU 38 2HB LEU 38 11.040 7.380 9.625 276 HG LEU 38 HG LEU 38 12.992 9.582 8.949 277 1HD1 LEU 38 1HD1 LEU 38 10.768 10.006 8.027 278 2HD1 LEU 38 2HD1 LEU 38 11.120 11.089 9.375 279 3HD1 LEU 38 3HD1 LEU 38 10.052 9.705 9.609 280 1HD2 LEU 38 1HD2 LEU 38 12.546 10.335 11.236 281 2HD2 LEU 38 2HD2 LEU 38 13.271 8.727 11.211 282 3HD2 LEU 38 3HD2 LEU 38 11.540 8.911 11.504 283 H ARG 39 H ARG 39 12.260 5.135 11.044 284 HA ARG 39 HA ARG 39 12.164 2.882 9.201 285 1HB ARG 39 1HB ARG 39 11.691 1.511 11.180 286 2HB ARG 39 2HB ARG 39 13.151 2.464 11.381 287 1HG ARG 39 1HG ARG 39 11.907 4.066 12.754 288 2HG ARG 39 2HG ARG 39 10.450 3.087 12.555 289 1HD ARG 39 1HD ARG 39 11.643 1.183 13.593 290 2HD ARG 39 2HD ARG 39 13.024 2.239 13.874 291 HE ARG 39 HE ARG 39 10.621 3.305 14.989 292 1HH1 ARG 39 1HH1 ARG 39 13.250 1.060 15.521 293 2HH1 ARG 39 2HH1 ARG 39 12.993 0.957 17.239 294 1HH2 ARG 39 1HH2 ARG 39 10.307 3.235 17.256 295 2HH2 ARG 39 2HH2 ARG 39 11.345 2.228 18.236 296 H SER 40 H SER 40 10.378 1.872 8.541 297 HA SER 40 HA SER 40 7.915 3.389 8.722 298 1HB SER 40 1HB SER 40 7.213 1.595 7.001 299 2HB SER 40 2HB SER 40 8.455 2.755 6.524 300 HG SER 40 HG SER 40 8.661 0.024 7.041 301 H SER 41 H SER 41 5.870 2.336 9.072 302 HA SER 41 HA SER 41 5.949 0.428 11.245 303 1HB SER 41 1HB SER 41 3.598 1.752 9.865 304 2HB SER 41 2HB SER 41 3.537 0.855 11.382 305 HG SER 41 HG SER 41 5.191 3.130 11.001 306 H ALA 42 H ALA 42 5.423 -1.670 11.125 307 HA ALA 42 HA ALA 42 5.747 -3.010 8.707 308 1HB ALA 42 1HB ALA 42 6.238 -4.006 10.881 309 2HB ALA 42 2HB ALA 42 5.164 -5.029 9.925 310 3HB ALA 42 3HB ALA 42 4.512 -4.060 11.248 311 H LEU 43 H LEU 43 4.407 -2.735 7.066 312 HA LEU 43 HA LEU 43 1.557 -3.321 7.505 313 1HB LEU 43 1HB LEU 43 2.296 -0.995 6.587 314 2HB LEU 43 2HB LEU 43 2.630 -1.858 5.099 315 HG LEU 43 HG LEU 43 -0.081 -1.795 6.435 316 1HD1 LEU 43 1HD1 LEU 43 0.928 -0.174 4.103 317 2HD1 LEU 43 2HD1 LEU 43 0.620 0.444 5.725 318 3HD1 LEU 43 3HD1 LEU 43 -0.712 -0.171 4.746 319 1HD2 LEU 43 1HD2 LEU 43 -0.896 -2.604 4.283 320 2HD2 LEU 43 2HD2 LEU 43 0.283 -3.725 4.970 321 3HD2 LEU 43 3HD2 LEU 43 0.754 -2.641 3.660 322 H LYS 44 H LYS 44 1.697 -5.515 7.261 323 HA LYS 44 HA LYS 44 2.513 -6.432 4.601 324 1HB LYS 44 1HB LYS 44 3.442 -8.491 5.679 325 2HB LYS 44 2HB LYS 44 4.337 -7.013 6.017 326 1HG LYS 44 1HG LYS 44 3.187 -6.869 8.202 327 2HG LYS 44 2HG LYS 44 2.419 -8.422 7.865 328 1HD LYS 44 1HD LYS 44 4.650 -9.451 7.673 329 2HD LYS 44 2HD LYS 44 5.382 -7.899 8.085 330 1HE LYS 44 1HE LYS 44 5.304 -9.235 10.069 331 2HE LYS 44 2HE LYS 44 4.118 -7.940 10.224 332 1HZ LYS 44 1HZ LYS 44 3.082 -9.906 10.968 333 2HZ LYS 44 2HZ LYS 44 3.613 -10.799 9.625 334 3HZ LYS 44 3HZ LYS 44 2.431 -9.600 9.432 335 H GLY 45 H GLY 45 0.952 -7.417 3.587 336 1HA GLY 45 1HA GLY 45 -0.652 -9.468 4.539 337 2HA GLY 45 2HA GLY 45 -1.552 -7.978 4.803 338 H ARG 46 H ARG 46 -3.094 -8.927 3.281 339 HA ARG 46 HA ARG 46 -2.152 -8.955 0.497 340 1HB ARG 46 1HB ARG 46 -3.330 -10.979 1.264 341 2HB ARG 46 2HB ARG 46 -4.743 -10.006 1.650 342 1HG ARG 46 1HG ARG 46 -4.996 -9.405 -0.689 343 2HG ARG 46 2HG ARG 46 -3.554 -10.339 -1.094 344 1HD ARG 46 1HD ARG 46 -4.654 -12.377 -0.323 345 2HD ARG 46 2HD ARG 46 -6.092 -11.445 0.098 346 HE ARG 46 HE ARG 46 -6.002 -10.837 -2.421 347 1HH1 ARG 46 1HH1 ARG 46 -5.265 -13.963 -1.006 348 2HH1 ARG 46 2HH1 ARG 46 -5.623 -14.841 -2.469 349 1HH2 ARG 46 1HH2 ARG 46 -6.480 -11.960 -4.297 350 2HH2 ARG 46 2HH2 ARG 46 -6.335 -13.696 -4.348 351 H HIS 47 H HIS 47 -2.186 -6.886 -0.164 352 HA HIS 47 HA HIS 47 -4.776 -5.493 -0.146 353 1HB HIS 47 1HB HIS 47 -2.127 -4.289 0.696 354 2HB HIS 47 2HB HIS 47 -3.552 -3.337 0.306 355 HD1 HIS 47 HD1 HIS 47 -5.306 -3.060 2.118 356 HD2 HIS 47 HD2 HIS 47 -2.337 -5.802 3.119 357 HE1 HIS 47 HE1 HIS 47 -5.611 -3.529 4.565 358 HE2 HIS 47 HE2 HIS 47 -3.944 -5.339 5.094 359 H ASP 48 H ASP 48 -4.642 -3.532 -1.660 360 HA ASP 48 HA ASP 48 -3.080 -4.217 -4.034 361 1HB ASP 48 1HB ASP 48 -4.429 -2.532 -5.195 362 2HB ASP 48 2HB ASP 48 -5.476 -3.665 -4.343 363 H LEU 49 H LEU 49 -2.193 -2.135 -5.193 364 HA LEU 49 HA LEU 49 -0.101 -1.167 -3.605 365 1HB LEU 49 1HB LEU 49 0.036 -1.348 -6.032 366 2HB LEU 49 2HB LEU 49 -1.177 -0.092 -6.209 367 HG LEU 49 HG LEU 49 0.393 1.513 -5.126 368 1HD1 LEU 49 1HD1 LEU 49 1.725 -0.100 -3.870 369 2HD1 LEU 49 2HD1 LEU 49 2.740 0.904 -4.904 370 3HD1 LEU 49 3HD1 LEU 49 2.366 -0.752 -5.379 371 1HD2 LEU 49 1HD2 LEU 49 1.429 0.117 -7.594 372 2HD2 LEU 49 2HD2 LEU 49 1.875 1.738 -7.062 373 3HD2 LEU 49 3HD2 LEU 49 0.216 1.397 -7.551 374 H GLN 50 H GLN 50 -2.933 0.601 -4.853 375 HA GLN 50 HA GLN 50 -2.287 3.084 -3.789 376 1HB GLN 50 1HB GLN 50 -4.954 1.891 -4.526 377 2HB GLN 50 2HB GLN 50 -4.769 3.561 -4.016 378 1HG GLN 50 1HG GLN 50 -4.833 3.588 -6.365 379 2HG GLN 50 2HG GLN 50 -3.154 3.855 -5.915 380 1HE2 GLN 50 1HE2 GLN 50 -5.437 1.620 -7.280 381 2HE2 GLN 50 2HE2 GLN 50 -4.270 0.567 -8.014 382 H SER 51 H SER 51 -4.436 0.593 -2.430 383 HA SER 51 HA SER 51 -5.233 2.084 -0.182 384 1HB SER 51 1HB SER 51 -5.026 -0.918 -0.463 385 2HB SER 51 2HB SER 51 -5.955 -0.060 0.768 386 HG SER 51 HG SER 51 -6.555 -0.570 -1.857 387 H SER 52 H SER 52 -2.505 -0.127 -0.617 388 HA SER 52 HA SER 52 -1.611 -0.141 2.033 389 1HB SER 52 1HB SER 52 0.042 -0.354 -0.492 390 2HB SER 52 2HB SER 52 0.535 -0.881 1.120 391 HG SER 52 HG SER 52 -1.267 -2.033 -0.666 392 H LEU 53 H LEU 53 -0.912 2.087 -0.629 393 HA LEU 53 HA LEU 53 1.006 3.654 0.711 394 1HB LEU 53 1HB LEU 53 -0.937 4.421 -1.470 395 2HB LEU 53 2HB LEU 53 0.414 5.410 -0.948 396 HG LEU 53 HG LEU 53 0.634 2.674 -2.203 397 1HD1 LEU 53 1HD1 LEU 53 -0.102 4.324 -3.812 398 2HD1 LEU 53 2HD1 LEU 53 1.586 3.906 -4.110 399 3HD1 LEU 53 3HD1 LEU 53 1.181 5.424 -3.311 400 1HD2 LEU 53 1HD2 LEU 53 2.757 4.663 -1.408 401 2HD2 LEU 53 2HD2 LEU 53 3.032 3.164 -2.297 402 3HD2 LEU 53 3HD2 LEU 53 2.443 3.109 -0.635 403 H ARG 54 H ARG 54 -2.498 3.707 0.703 404 HA ARG 54 HA ARG 54 -2.929 6.209 1.888 405 1HB ARG 54 1HB ARG 54 -4.544 3.664 2.146 406 2HB ARG 54 2HB ARG 54 -5.098 5.254 2.649 407 1HG ARG 54 1HG ARG 54 -4.365 4.483 -0.167 408 2HG ARG 54 2HG ARG 54 -6.005 4.578 0.474 409 1HD ARG 54 1HD ARG 54 -4.037 6.855 0.283 410 2HD ARG 54 2HD ARG 54 -5.416 6.588 -0.783 411 HE ARG 54 HE ARG 54 -6.348 6.686 1.858 412 1HH1 ARG 54 1HH1 ARG 54 -4.894 8.809 -0.519 413 2HH1 ARG 54 2HH1 ARG 54 -5.682 10.230 0.086 414 1HH2 ARG 54 1HH2 ARG 54 -7.347 8.543 2.675 415 2HH2 ARG 54 2HH2 ARG 54 -7.060 10.088 1.928 416 H ILE 55 H ILE 55 -2.561 3.010 3.393 417 HA ILE 55 HA ILE 55 -2.842 4.108 6.041 418 HB ILE 55 HB ILE 55 -2.031 1.311 5.232 419 1HG1 ILE 55 1HG1 ILE 55 -4.770 2.415 5.906 420 2HG1 ILE 55 2HG1 ILE 55 -4.221 1.978 4.292 421 1HG2 ILE 55 1HG2 ILE 55 -1.475 1.856 7.543 422 2HG2 ILE 55 2HG2 ILE 55 -2.793 0.686 7.471 423 3HG2 ILE 55 3HG2 ILE 55 -3.134 2.379 7.828 424 1HD1 ILE 55 1HD1 ILE 55 -3.999 -0.344 4.994 425 2HD1 ILE 55 2HD1 ILE 55 -5.638 0.255 5.252 426 3HD1 ILE 55 3HD1 ILE 55 -4.532 0.094 6.616 427 H LEU 56 H LEU 56 -0.209 3.161 3.943 428 HA LEU 56 HA LEU 56 1.751 2.796 5.945 429 1HB LEU 56 1HB LEU 56 1.711 2.148 3.403 430 2HB LEU 56 2HB LEU 56 2.446 3.724 3.184 431 HG LEU 56 HG LEU 56 3.619 1.607 4.990 432 1HD1 LEU 56 1HD1 LEU 56 5.172 1.117 3.169 433 2HD1 LEU 56 2HD1 LEU 56 4.277 2.207 2.111 434 3HD1 LEU 56 3HD1 LEU 56 3.509 0.742 2.721 435 1HD2 LEU 56 1HD2 LEU 56 4.808 4.089 3.747 436 2HD2 LEU 56 2HD2 LEU 56 5.665 2.921 4.752 437 3HD2 LEU 56 3HD2 LEU 56 4.365 3.891 5.444 438 H LEU 57 H LEU 57 0.920 5.617 3.940 439 HA LEU 57 HA LEU 57 2.968 7.187 5.260 440 1HB LEU 57 1HB LEU 57 0.991 7.879 3.093 441 2HB LEU 57 2HB LEU 57 2.102 9.041 3.788 442 HG LEU 57 HG LEU 57 3.093 8.357 1.762 443 1HD1 LEU 57 1HD1 LEU 57 5.141 7.264 2.414 444 2HD1 LEU 57 2HD1 LEU 57 4.390 6.673 3.894 445 3HD1 LEU 57 3HD1 LEU 57 4.645 8.403 3.666 446 1HD2 LEU 57 1HD2 LEU 57 3.433 6.036 1.105 447 2HD2 LEU 57 2HD2 LEU 57 1.720 6.390 1.327 448 3HD2 LEU 57 3HD2 LEU 57 2.603 5.494 2.563 449 H GLN 58 H GLN 58 -0.373 6.571 5.578 450 HA GLN 58 HA GLN 58 -1.410 8.754 6.864 451 1HB GLN 58 1HB GLN 58 -2.672 6.705 6.394 452 2HB GLN 58 2HB GLN 58 -1.773 5.859 7.644 453 1HG GLN 58 1HG GLN 58 -2.698 7.465 9.304 454 2HG GLN 58 2HG GLN 58 -3.707 8.132 8.020 455 1HE2 GLN 58 1HE2 GLN 58 -5.396 6.890 7.184 456 2HE2 GLN 58 2HE2 GLN 58 -6.006 5.508 8.027 457 H GLY 59 H GLY 59 -0.102 9.949 8.219 458 1HA GLY 59 1HA GLY 59 0.008 10.307 10.627 459 2HA GLY 59 2HA GLY 59 0.486 8.626 10.789 460 H THR 60 H THR 60 2.268 9.203 8.281 461 HA THR 60 HA THR 60 4.548 9.924 9.952 462 HB THR 60 HB THR 60 5.907 9.193 7.961 463 HG1 THR 60 HG1 THR 60 4.049 7.708 6.769 464 1HG2 THR 60 1HG2 THR 60 3.952 7.211 9.130 465 2HG2 THR 60 2HG2 THR 60 5.501 7.691 9.825 466 3HG2 THR 60 3HG2 THR 60 5.455 6.795 8.306 467 H GLY 61 H GLY 61 2.440 11.599 8.085 468 1HA GLY 61 1HA GLY 61 2.468 13.696 7.179 469 2HA GLY 61 2HA GLY 61 4.001 13.930 8.001 470 H LEU 62 H LEU 62 3.816 11.331 5.718 471 HA LEU 62 HA LEU 62 5.675 12.797 4.025 472 1HB LEU 62 1HB LEU 62 4.824 9.903 3.896 473 2HB LEU 62 2HB LEU 62 6.121 10.639 2.975 474 HG LEU 62 HG LEU 62 6.053 10.181 5.957 475 1HD1 LEU 62 1HD1 LEU 62 6.531 8.191 4.646 476 2HD1 LEU 62 2HD1 LEU 62 7.971 8.737 5.507 477 3HD1 LEU 62 3HD1 LEU 62 7.803 9.053 3.779 478 1HD2 LEU 62 1HD2 LEU 62 8.296 11.122 6.002 479 2HD2 LEU 62 2HD2 LEU 62 7.117 12.316 5.458 480 3HD2 LEU 62 3HD2 LEU 62 8.173 11.522 4.289 481 H ARG 63 H ARG 63 5.430 12.843 1.733 482 HA ARG 63 HA ARG 63 2.603 12.832 0.890 483 1HB ARG 63 1HB ARG 63 3.762 15.056 0.973 484 2HB ARG 63 2HB ARG 63 4.890 14.463 -0.236 485 1HG ARG 63 1HG ARG 63 3.288 15.772 -1.372 486 2HG ARG 63 2HG ARG 63 2.919 14.085 -1.739 487 1HD ARG 63 1HD ARG 63 1.162 14.092 -0.055 488 2HD ARG 63 2HD ARG 63 1.547 15.763 0.353 489 HE ARG 63 HE ARG 63 1.007 15.715 -2.369 490 1HH1 ARG 63 1HH1 ARG 63 -0.696 15.024 0.611 491 2HH1 ARG 63 2HH1 ARG 63 -2.251 15.454 -0.024 492 1HH2 ARG 63 1HH2 ARG 63 -1.056 16.295 -3.209 493 2HH2 ARG 63 2HH2 ARG 63 -2.457 16.184 -2.180 494 H TYR 64 H TYR 64 2.077 11.398 -0.629 495 HA TYR 64 HA TYR 64 4.269 10.246 -2.227 496 1HB TYR 64 1HB TYR 64 2.864 8.204 -2.462 497 2HB TYR 64 2HB TYR 64 3.342 8.539 -0.805 498 HD1 TYR 64 HD1 TYR 64 1.669 9.341 0.827 499 HD2 TYR 64 HD2 TYR 64 0.551 8.220 -3.123 500 HE1 TYR 64 HE1 TYR 64 -0.678 9.190 1.538 501 HE2 TYR 64 HE2 TYR 64 -1.800 8.073 -2.420 502 HH TYR 64 HH TYR 64 -2.893 9.288 0.580 503 H GLN 65 H GLN 65 4.290 10.731 -4.276 504 HA GLN 65 HA GLN 65 1.801 11.523 -5.616 505 1HB GLN 65 1HB GLN 65 4.668 11.700 -6.583 506 2HB GLN 65 2HB GLN 65 3.264 12.266 -7.469 507 1HG GLN 65 1HG GLN 65 4.095 14.214 -6.580 508 2HG GLN 65 2HG GLN 65 2.866 13.769 -5.402 509 1HE2 GLN 65 1HE2 GLN 65 3.477 13.176 -3.357 510 2HE2 GLN 65 2HE2 GLN 65 5.093 13.330 -2.766 511 H ILE 66 H ILE 66 0.732 9.805 -6.394 512 HA ILE 66 HA ILE 66 2.305 7.651 -7.627 513 HB ILE 66 HB ILE 66 1.024 6.774 -5.803 514 1HG1 ILE 66 1HG1 ILE 66 -0.354 6.102 -8.414 515 2HG1 ILE 66 2HG1 ILE 66 1.151 5.394 -7.841 516 1HG2 ILE 66 1HG2 ILE 66 -1.378 8.073 -7.073 517 2HG2 ILE 66 2HG2 ILE 66 -0.627 8.502 -5.536 518 3HG2 ILE 66 3HG2 ILE 66 -1.438 6.947 -5.718 519 1HD1 ILE 66 1HD1 ILE 66 -1.540 5.129 -6.523 520 2HD1 ILE 66 2HD1 ILE 66 -0.031 4.425 -5.939 521 3HD1 ILE 66 3HD1 ILE 66 -0.714 3.896 -7.477 522 H ASP 67 H ASP 67 2.217 7.427 -9.733 523 HA ASP 67 HA ASP 67 -0.223 8.070 -11.191 524 1HB ASP 67 1HB ASP 67 1.007 10.147 -11.375 525 2HB ASP 67 2HB ASP 67 2.468 9.288 -11.847 526 H GLY 68 H GLY 68 -0.668 6.462 -12.526 527 1HA GLY 68 1HA GLY 68 -0.437 4.524 -13.737 528 2HA GLY 68 2HA GLY 68 1.158 5.121 -14.172 529 H ASN 69 H ASN 69 2.874 4.069 -13.444 530 HA ASN 69 HA ASN 69 2.519 2.202 -11.185 531 1HB ASN 69 1HB ASN 69 4.075 0.658 -12.236 532 2HB ASN 69 2HB ASN 69 2.758 1.007 -13.352 533 1HD2 ASN 69 1HD2 ASN 69 5.364 -0.008 -13.990 534 2HD2 ASN 69 2HD2 ASN 69 6.104 1.146 -15.054 535 H THR 70 H THR 70 3.532 5.040 -11.568 536 HA THR 70 HA THR 70 6.200 4.671 -10.374 537 HB THR 70 HB THR 70 5.128 7.123 -11.789 538 HG1 THR 70 HG1 THR 70 5.961 4.857 -12.832 539 1HG2 THR 70 1HG2 THR 70 7.915 6.420 -10.850 540 2HG2 THR 70 2HG2 THR 70 6.853 7.629 -10.127 541 3HG2 THR 70 3HG2 THR 70 7.471 7.863 -11.762 542 H VAL 71 H VAL 71 6.539 5.420 -8.366 543 HA VAL 71 HA VAL 71 4.489 7.147 -7.138 544 HB VAL 71 HB VAL 71 5.840 4.815 -5.753 545 1HG1 VAL 71 1HG1 VAL 71 3.695 6.715 -4.818 546 2HG1 VAL 71 2HG1 VAL 71 5.356 6.641 -4.236 547 3HG1 VAL 71 3HG1 VAL 71 4.255 5.297 -3.934 548 1HG2 VAL 71 1HG2 VAL 71 2.992 5.097 -6.710 549 2HG2 VAL 71 2HG2 VAL 71 3.615 3.773 -5.726 550 3HG2 VAL 71 3HG2 VAL 71 4.213 4.008 -7.368 551 H THR 72 H THR 72 5.327 8.897 -6.183 552 HA THR 72 HA THR 72 8.215 8.905 -5.575 553 HB THR 72 HB THR 72 6.488 11.315 -6.191 554 HG1 THR 72 HG1 THR 72 7.066 9.573 -7.907 555 1HG2 THR 72 1HG2 THR 72 8.491 11.791 -4.848 556 2HG2 THR 72 2HG2 THR 72 8.636 12.463 -6.472 557 3HG2 THR 72 3HG2 THR 72 9.493 10.979 -6.052 558 H VAL 73 H VAL 73 8.680 8.963 -3.472 559 HA VAL 73 HA VAL 73 6.583 9.917 -1.626 560 HB VAL 73 HB VAL 73 8.738 7.871 -1.050 561 1HG1 VAL 73 1HG1 VAL 73 7.458 7.464 1.014 562 2HG1 VAL 73 2HG1 VAL 73 6.379 8.793 0.591 563 3HG1 VAL 73 3HG1 VAL 73 8.080 9.114 0.931 564 1HG2 VAL 73 1HG2 VAL 73 6.938 6.221 -1.054 565 2HG2 VAL 73 2HG2 VAL 73 7.079 7.010 -2.625 566 3HG2 VAL 73 3HG2 VAL 73 5.784 7.471 -1.521 567 H THR 74 H THR 74 7.078 11.835 -0.839 568 HA THR 74 HA THR 74 9.842 12.317 0.049 569 HB THR 74 HB THR 74 9.509 13.478 -2.102 570 HG1 THR 74 HG1 THR 74 10.691 14.415 -0.156 571 1HG2 THR 74 1HG2 THR 74 7.327 14.986 -0.658 572 2HG2 THR 74 2HG2 THR 74 7.095 13.836 -1.976 573 3HG2 THR 74 3HG2 THR 74 7.945 15.355 -2.268 574 H ALA 75 H ALA 75 10.060 13.722 1.844 575 HA ALA 75 HA ALA 75 7.807 13.647 3.634 576 1HB ALA 75 1HB ALA 75 10.051 13.130 4.449 577 2HB ALA 75 2HB ALA 75 9.379 14.522 5.296 578 3HB ALA 75 3HB ALA 75 10.587 14.759 4.033 579 H SER 76 H SER 76 6.272 15.154 3.451 580 HA SER 76 HA SER 76 6.882 17.757 2.329 581 1HB SER 76 1HB SER 76 4.865 16.499 1.617 582 2HB SER 76 2HB SER 76 4.233 16.617 3.259 583 HG SER 76 HG SER 76 4.105 18.411 1.256 584 H ALA 77 H ALA 77 7.305 19.498 3.508 585 HA ALA 77 HA ALA 77 7.057 19.426 6.385 586 1HB ALA 77 1HB ALA 77 8.148 21.611 6.331 587 2HB ALA 77 2HB ALA 77 7.984 21.661 4.576 588 3HB ALA 77 3HB ALA 77 9.024 20.451 5.330 589 H ALA 78 H ALA 78 5.522 20.395 7.598 590 HA ALA 78 HA ALA 78 3.211 21.426 6.147 591 1HB ALA 78 1HB ALA 78 2.012 21.183 8.246 592 2HB ALA 78 2HB ALA 78 3.514 20.781 9.076 593 3HB ALA 78 3HB ALA 78 2.869 19.697 7.845 594 H ALA 79 H ALA 79 2.102 23.365 6.862 595 HA ALA 79 HA ALA 79 3.689 25.631 6.982 596 1HB ALA 79 1HB ALA 79 1.659 26.849 7.612 597 2HB ALA 79 2HB ALA 79 0.858 25.322 7.990 598 3HB ALA 79 3HB ALA 79 1.337 25.682 6.330 599 H LYS 80 H LYS 80 1.776 24.316 9.686 600 HA LYS 80 HA LYS 80 3.601 25.626 11.559 601 1HB LYS 80 1HB LYS 80 0.909 24.315 11.978 602 2HB LYS 80 2HB LYS 80 1.896 24.973 13.277 603 1HG LYS 80 1HG LYS 80 0.769 26.529 10.954 604 2HG LYS 80 2HG LYS 80 0.149 26.533 12.607 605 1HD LYS 80 1HD LYS 80 2.227 27.485 13.416 606 2HD LYS 80 2HD LYS 80 2.925 27.400 11.800 607 1HE LYS 80 1HE LYS 80 2.204 29.662 12.295 608 2HE LYS 80 2HE LYS 80 1.230 28.977 10.995 609 1HZ LYS 80 1HZ LYS 80 -0.054 30.215 12.691 610 2HZ LYS 80 2HZ LYS 80 0.384 29.042 13.839 611 3HZ LYS 80 3HZ LYS 80 -0.558 28.609 12.499 612 H ASP 81 H ASP 81 4.887 24.501 12.939 613 HA ASP 81 HA ASP 81 4.873 21.585 12.790 614 1HB ASP 81 1HB ASP 81 6.239 22.270 10.883 615 2HB ASP 81 2HB ASP 81 7.213 23.300 11.924 616 H GLY 82 H GLY 82 5.140 20.829 14.765 617 1HA GLY 82 1HA GLY 82 7.242 21.792 16.474 618 2HA GLY 82 2HA GLY 82 5.633 22.184 17.072 Start of MODEL 10 1 1H SER 1 1H SER 1 -9.318 -4.550 -5.969 2 2H SER 1 2H SER 1 -10.430 -3.907 -7.078 3 3H SER 1 3H SER 1 -8.828 -4.188 -7.553 4 HA SER 1 HA SER 1 -10.764 -6.266 -6.745 5 1HB SER 1 1HB SER 1 -10.680 -6.907 -9.163 6 2HB SER 1 2HB SER 1 -11.420 -5.334 -8.874 7 HG SER 1 HG SER 1 -9.256 -5.953 -10.361 8 H GLN 2 H GLN 2 -7.516 -5.371 -7.699 9 HA GLN 2 HA GLN 2 -6.663 -8.157 -7.290 10 1HB GLN 2 1HB GLN 2 -6.215 -7.213 -9.545 11 2HB GLN 2 2HB GLN 2 -5.232 -5.962 -8.796 12 1HG GLN 2 1HG GLN 2 -3.760 -7.728 -7.887 13 2HG GLN 2 2HG GLN 2 -4.703 -8.922 -8.780 14 1HE2 GLN 2 1HE2 GLN 2 -5.095 -7.062 -11.025 15 2HE2 GLN 2 2HE2 GLN 2 -3.591 -7.036 -11.882 16 H GLU 3 H GLU 3 -5.937 -8.404 -5.294 17 HA GLU 3 HA GLU 3 -4.345 -6.256 -4.079 18 1HB GLU 3 1HB GLU 3 -5.639 -8.680 -2.813 19 2HB GLU 3 2HB GLU 3 -4.661 -7.501 -1.955 20 1HG GLU 3 1HG GLU 3 -6.315 -5.760 -2.615 21 2HG GLU 3 2HG GLU 3 -7.322 -7.049 -3.271 22 H TRP 4 H TRP 4 -2.455 -7.000 -2.802 23 HA TRP 4 HA TRP 4 -1.175 -9.372 -3.992 24 1HB TRP 4 1HB TRP 4 0.104 -6.680 -3.430 25 2HB TRP 4 2HB TRP 4 0.997 -8.132 -3.866 26 HD1 TRP 4 HD1 TRP 4 0.832 -8.958 -6.417 27 HE1 TRP 4 HE1 TRP 4 0.166 -7.716 -8.579 28 HE3 TRP 4 HE3 TRP 4 -1.452 -4.876 -4.345 29 HZ2 TRP 4 HZ2 TRP 4 -1.143 -5.329 -9.298 30 HZ3 TRP 4 HZ3 TRP 4 -2.381 -3.162 -5.843 31 HH2 TRP 4 HH2 TRP 4 -2.228 -3.384 -8.267 32 H THR 5 H THR 5 0.260 -10.498 -2.604 33 HA THR 5 HA THR 5 -0.325 -10.130 0.224 34 HB THR 5 HB THR 5 1.386 -12.268 -1.071 35 HG1 THR 5 HG1 THR 5 -0.424 -13.433 -1.381 36 1HG2 THR 5 1HG2 THR 5 1.702 -12.036 1.341 37 2HG2 THR 5 2HG2 THR 5 0.863 -13.541 0.967 38 3HG2 THR 5 3HG2 THR 5 -0.039 -12.161 1.590 39 H LEU 6 H LEU 6 0.848 -8.512 1.073 40 HA LEU 6 HA LEU 6 3.594 -8.112 0.120 41 1HB LEU 6 1HB LEU 6 1.788 -6.239 1.651 42 2HB LEU 6 2HB LEU 6 3.359 -5.840 0.986 43 HG LEU 6 HG LEU 6 0.934 -6.597 -0.645 44 1HD1 LEU 6 1HD1 LEU 6 0.615 -4.456 0.430 45 2HD1 LEU 6 2HD1 LEU 6 0.916 -4.226 -1.292 46 3HD1 LEU 6 3HD1 LEU 6 2.200 -3.913 -0.122 47 1HD2 LEU 6 1HD2 LEU 6 3.639 -5.554 -1.481 48 2HD2 LEU 6 2HD2 LEU 6 2.266 -5.850 -2.550 49 3HD2 LEU 6 3HD2 LEU 6 3.043 -7.198 -1.720 50 H ASP 7 H ASP 7 5.306 -7.859 1.505 51 HA ASP 7 HA ASP 7 4.827 -8.029 4.382 52 1HB ASP 7 1HB ASP 7 5.427 -10.317 3.699 53 2HB ASP 7 2HB ASP 7 6.876 -9.704 2.908 54 H ILE 8 H ILE 8 5.582 -6.182 5.076 55 HA ILE 8 HA ILE 8 7.802 -4.932 3.611 56 HB ILE 8 HB ILE 8 5.315 -3.756 4.836 57 1HG1 ILE 8 1HG1 ILE 8 6.449 -3.614 2.032 58 2HG1 ILE 8 2HG1 ILE 8 5.209 -4.751 2.546 59 1HG2 ILE 8 1HG2 ILE 8 7.702 -2.259 3.748 60 2HG2 ILE 8 2HG2 ILE 8 7.183 -2.308 5.432 61 3HG2 ILE 8 3HG2 ILE 8 6.162 -1.538 4.219 62 1HD1 ILE 8 1HD1 ILE 8 4.221 -2.913 1.358 63 2HD1 ILE 8 2HD1 ILE 8 4.975 -1.754 2.455 64 3HD1 ILE 8 3HD1 ILE 8 3.731 -2.852 3.052 65 HA PRO 9 HA PRO 9 10.118 -5.268 7.363 66 1HB PRO 9 1HB PRO 9 11.644 -3.033 6.132 67 2HB PRO 9 2HB PRO 9 12.216 -4.597 6.729 68 1HG PRO 9 1HG PRO 9 12.031 -4.146 4.122 69 2HG PRO 9 2HG PRO 9 11.557 -5.717 4.801 70 1HD PRO 9 1HD PRO 9 9.836 -3.437 3.916 71 2HD PRO 9 2HD PRO 9 9.606 -5.181 3.674 72 H ALA 10 H ALA 10 10.674 -4.105 9.196 73 HA ALA 10 HA ALA 10 9.178 -1.595 9.568 74 1HB ALA 10 1HB ALA 10 9.939 -3.699 11.601 75 2HB ALA 10 2HB ALA 10 8.326 -3.406 10.950 76 3HB ALA 10 3HB ALA 10 9.102 -2.189 11.962 77 H GLN 11 H GLN 11 11.935 -2.131 8.569 78 HA GLN 11 HA GLN 11 13.542 -0.781 10.604 79 1HB GLN 11 1HB GLN 11 15.459 -1.412 9.189 80 2HB GLN 11 2HB GLN 11 14.504 -2.813 9.651 81 1HG GLN 11 1HG GLN 11 13.345 -2.518 7.378 82 2HG GLN 11 2HG GLN 11 14.715 -1.480 6.980 83 1HE2 GLN 11 1HE2 GLN 11 15.530 -2.834 5.415 84 2HE2 GLN 11 2HE2 GLN 11 16.220 -4.376 5.770 85 H SER 12 H SER 12 15.352 0.263 8.484 86 HA SER 12 HA SER 12 14.387 2.831 8.190 87 1HB SER 12 1HB SER 12 16.734 2.165 7.782 88 2HB SER 12 2HB SER 12 16.240 1.375 6.284 89 HG SER 12 HG SER 12 17.007 3.811 6.496 90 H MET 13 H MET 13 13.003 3.828 6.936 91 HA MET 13 HA MET 13 11.025 2.657 5.426 92 1HB MET 13 1HB MET 13 10.984 4.981 6.257 93 2HB MET 13 2HB MET 13 12.206 5.422 5.072 94 1HG MET 13 1HG MET 13 10.204 6.160 4.149 95 2HG MET 13 2HG MET 13 10.535 4.647 3.310 96 1HE MET 13 1HE MET 13 7.388 5.232 6.625 97 2HE MET 13 2HE MET 13 8.386 6.516 5.942 98 3HE MET 13 3HE MET 13 9.121 5.273 6.954 99 H ASN 14 H ASN 14 14.245 3.544 4.493 100 HA ASN 14 HA ASN 14 14.117 3.590 1.733 101 1HB ASN 14 1HB ASN 14 16.151 4.165 2.895 102 2HB ASN 14 2HB ASN 14 16.283 2.545 3.564 103 1HD2 ASN 14 1HD2 ASN 14 16.682 4.519 0.744 104 2HD2 ASN 14 2HD2 ASN 14 17.609 3.383 -0.176 105 H SER 15 H SER 15 14.297 0.788 3.907 106 HA SER 15 HA SER 15 14.622 -1.084 1.741 107 1HB SER 15 1HB SER 15 13.867 -1.700 4.607 108 2HB SER 15 2HB SER 15 14.628 -2.777 3.430 109 HG SER 15 HG SER 15 16.390 -1.130 3.447 110 H ALA 16 H ALA 16 12.028 0.015 3.852 111 HA ALA 16 HA ALA 16 10.098 -1.899 3.220 112 1HB ALA 16 1HB ALA 16 9.902 -0.327 5.082 113 2HB ALA 16 2HB ALA 16 8.472 -0.297 4.054 114 3HB ALA 16 3HB ALA 16 9.665 0.995 3.942 115 H LEU 17 H LEU 17 10.789 1.229 1.700 116 HA LEU 17 HA LEU 17 8.665 1.114 -0.153 117 1HB LEU 17 1HB LEU 17 11.281 2.610 -0.292 118 2HB LEU 17 2HB LEU 17 9.923 2.872 -1.368 119 HG LEU 17 HG LEU 17 9.948 3.358 1.612 120 1HD1 LEU 17 1HD1 LEU 17 9.821 5.272 -0.710 121 2HD1 LEU 17 2HD1 LEU 17 11.205 5.020 0.352 122 3HD1 LEU 17 3HD1 LEU 17 9.714 5.705 0.996 123 1HD2 LEU 17 1HD2 LEU 17 7.751 3.814 -0.406 124 2HD2 LEU 17 2HD2 LEU 17 7.712 4.287 1.294 125 3HD2 LEU 17 3HD2 LEU 17 7.760 2.580 0.854 126 H GLN 18 H GLN 18 12.060 0.100 -0.368 127 HA GLN 18 HA GLN 18 11.978 -0.670 -3.082 128 1HB GLN 18 1HB GLN 18 13.749 -1.507 -0.794 129 2HB GLN 18 2HB GLN 18 13.967 -2.127 -2.426 130 1HG GLN 18 1HG GLN 18 14.339 0.117 -3.256 131 2HG GLN 18 2HG GLN 18 14.041 0.776 -1.647 132 1HE2 GLN 18 1HE2 GLN 18 16.077 1.726 -1.588 133 2HE2 GLN 18 2HE2 GLN 18 17.511 0.792 -1.328 134 H ALA 19 H ALA 19 11.226 -2.413 -0.104 135 HA ALA 19 HA ALA 19 10.885 -4.955 -1.287 136 1HB ALA 19 1HB ALA 19 9.708 -5.556 0.746 137 2HB ALA 19 2HB ALA 19 9.559 -3.857 1.190 138 3HB ALA 19 3HB ALA 19 11.149 -4.618 1.134 139 H LEU 20 H LEU 20 8.681 -2.248 -0.746 140 HA LEU 20 HA LEU 20 6.309 -3.602 -1.535 141 1HB LEU 20 1HB LEU 20 6.253 -1.573 -0.184 142 2HB LEU 20 2HB LEU 20 7.003 -0.661 -1.479 143 HG LEU 20 HG LEU 20 4.994 -1.042 -2.877 144 1HD1 LEU 20 1HD1 LEU 20 3.862 -2.273 -0.369 145 2HD1 LEU 20 2HD1 LEU 20 4.219 -3.118 -1.874 146 3HD1 LEU 20 3HD1 LEU 20 2.953 -1.893 -1.832 147 1HD2 LEU 20 1HD2 LEU 20 5.221 1.003 -1.576 148 2HD2 LEU 20 2HD2 LEU 20 4.468 0.218 -0.189 149 3HD2 LEU 20 3HD2 LEU 20 3.533 0.496 -1.657 150 H ALA 21 H ALA 21 8.849 -1.907 -3.175 151 HA ALA 21 HA ALA 21 7.527 -1.310 -5.603 152 1HB ALA 21 1HB ALA 21 9.760 -0.942 -6.513 153 2HB ALA 21 2HB ALA 21 10.472 -1.718 -5.097 154 3HB ALA 21 3HB ALA 21 9.597 -0.198 -4.920 155 H LYS 22 H LYS 22 9.873 -3.878 -4.829 156 HA LYS 22 HA LYS 22 9.635 -5.170 -7.328 157 1HB LYS 22 1HB LYS 22 10.614 -6.280 -4.699 158 2HB LYS 22 2HB LYS 22 10.860 -7.026 -6.273 159 1HG LYS 22 1HG LYS 22 12.044 -4.880 -6.931 160 2HG LYS 22 2HG LYS 22 12.027 -4.471 -5.216 161 1HD LYS 22 1HD LYS 22 13.237 -6.976 -6.382 162 2HD LYS 22 2HD LYS 22 14.144 -5.527 -5.968 163 1HE LYS 22 1HE LYS 22 14.457 -6.957 -4.149 164 2HE LYS 22 2HE LYS 22 13.218 -5.829 -3.606 165 1HZ LYS 22 1HZ LYS 22 12.571 -8.485 -4.756 166 2HZ LYS 22 2HZ LYS 22 11.552 -7.446 -3.886 167 3HZ LYS 22 3HZ LYS 22 12.819 -8.241 -3.096 168 H GLN 23 H GLN 23 7.664 -5.325 -4.487 169 HA GLN 23 HA GLN 23 6.584 -7.921 -5.160 170 1HB GLN 23 1HB GLN 23 5.779 -5.921 -3.054 171 2HB GLN 23 2HB GLN 23 4.988 -7.473 -3.279 172 1HG GLN 23 1HG GLN 23 7.393 -8.426 -3.027 173 2HG GLN 23 2HG GLN 23 7.726 -6.869 -2.271 174 1HE2 GLN 23 1HE2 GLN 23 4.682 -8.574 -2.109 175 2HE2 GLN 23 2HE2 GLN 23 4.750 -8.951 -0.429 176 H THR 24 H THR 24 5.844 -4.630 -5.926 177 HA THR 24 HA THR 24 3.259 -5.521 -7.016 178 HB THR 24 HB THR 24 2.622 -3.074 -6.952 179 HG1 THR 24 HG1 THR 24 4.766 -2.845 -5.090 180 1HG2 THR 24 1HG2 THR 24 2.061 -3.102 -4.571 181 2HG2 THR 24 2HG2 THR 24 3.226 -4.400 -4.308 182 3HG2 THR 24 3HG2 THR 24 1.796 -4.689 -5.299 183 H ASP 25 H ASP 25 6.284 -4.927 -7.942 184 HA ASP 25 HA ASP 25 7.380 -4.357 -9.838 185 1HB ASP 25 1HB ASP 25 5.842 -6.059 -10.800 186 2HB ASP 25 2HB ASP 25 4.696 -4.777 -11.175 187 H THR 26 H THR 26 6.730 -2.232 -8.337 188 HA THR 26 HA THR 26 5.805 -0.207 -10.266 189 HB THR 26 HB THR 26 5.399 1.191 -8.170 190 HG1 THR 26 HG1 THR 26 5.056 -1.106 -6.668 191 1HG2 THR 26 1HG2 THR 26 3.584 0.167 -9.469 192 2HG2 THR 26 2HG2 THR 26 3.222 0.165 -7.743 193 3HG2 THR 26 3HG2 THR 26 3.756 -1.319 -8.534 194 H GLN 27 H GLN 27 6.883 1.841 -10.240 195 HA GLN 27 HA GLN 27 9.695 1.653 -9.395 196 1HB GLN 27 1HB GLN 27 9.490 2.078 -11.740 197 2HB GLN 27 2HB GLN 27 8.296 3.337 -11.474 198 1HG GLN 27 1HG GLN 27 10.348 4.373 -12.067 199 2HG GLN 27 2HG GLN 27 10.051 4.692 -10.361 200 1HE2 GLN 27 1HE2 GLN 27 12.525 4.744 -11.898 201 2HE2 GLN 27 2HE2 GLN 27 13.603 3.643 -11.108 202 H LEU 28 H LEU 28 10.288 2.792 -7.649 203 HA LEU 28 HA LEU 28 8.463 4.916 -6.753 204 1HB LEU 28 1HB LEU 28 10.093 2.924 -5.219 205 2HB LEU 28 2HB LEU 28 9.643 4.446 -4.478 206 HG LEU 28 HG LEU 28 7.239 3.872 -4.943 207 1HD1 LEU 28 1HD1 LEU 28 7.575 2.254 -6.723 208 2HD1 LEU 28 2HD1 LEU 28 6.684 1.537 -5.381 209 3HD1 LEU 28 3HD1 LEU 28 8.395 1.167 -5.600 210 1HD2 LEU 28 1HD2 LEU 28 8.228 3.583 -2.739 211 2HD2 LEU 28 2HD2 LEU 28 8.800 1.979 -3.190 212 3HD2 LEU 28 3HD2 LEU 28 7.070 2.296 -3.075 213 H LEU 29 H LEU 29 9.182 6.891 -6.517 214 HA LEU 29 HA LEU 29 12.077 7.371 -6.775 215 1HB LEU 29 1HB LEU 29 10.719 8.233 -8.650 216 2HB LEU 29 2HB LEU 29 9.758 9.162 -7.518 217 HG LEU 29 HG LEU 29 11.748 10.495 -6.927 218 1HD1 LEU 29 1HD1 LEU 29 13.764 10.326 -8.308 219 2HD1 LEU 29 2HD1 LEU 29 13.090 8.906 -9.110 220 3HD1 LEU 29 3HD1 LEU 29 13.472 8.849 -7.388 221 1HD2 LEU 29 1HD2 LEU 29 10.223 11.281 -8.648 222 2HD2 LEU 29 2HD2 LEU 29 11.121 10.390 -9.875 223 3HD2 LEU 29 3HD2 LEU 29 11.882 11.739 -9.031 224 H TYR 30 H TYR 30 12.925 7.836 -4.855 225 HA TYR 30 HA TYR 30 11.708 9.872 -3.200 226 1HB TYR 30 1HB TYR 30 11.663 8.523 -1.170 227 2HB TYR 30 2HB TYR 30 10.636 7.794 -2.397 228 HD1 TYR 30 HD1 TYR 30 11.526 5.774 -3.665 229 HD2 TYR 30 HD2 TYR 30 13.419 7.314 -0.179 230 HE1 TYR 30 HE1 TYR 30 12.700 3.634 -3.364 231 HE2 TYR 30 HE2 TYR 30 14.603 5.183 0.129 232 HH TYR 30 HH TYR 30 14.196 2.736 -0.543 233 H SER 31 H SER 31 13.180 10.791 -1.722 234 HA SER 31 HA SER 31 15.974 10.201 -2.319 235 1HB SER 31 1HB SER 31 14.724 12.520 -0.819 236 2HB SER 31 2HB SER 31 16.430 12.366 -1.226 237 HG SER 31 HG SER 31 14.223 12.842 -2.919 238 HA PRO 32 HA PRO 32 15.737 7.570 1.285 239 1HB PRO 32 1HB PRO 32 18.656 7.371 0.835 240 2HB PRO 32 2HB PRO 32 17.438 6.094 0.923 241 1HG PRO 32 1HG PRO 32 18.522 6.795 -1.411 242 2HG PRO 32 2HG PRO 32 16.804 6.367 -1.288 243 1HD PRO 32 1HD PRO 32 18.076 9.069 -1.480 244 2HD PRO 32 2HD PRO 32 16.605 8.460 -2.264 245 H GLU 33 H GLU 33 18.246 10.062 0.967 246 HA GLU 33 HA GLU 33 18.860 9.981 3.786 247 1HB GLU 33 1HB GLU 33 20.486 10.547 1.909 248 2HB GLU 33 2HB GLU 33 19.680 12.106 1.814 249 1HG GLU 33 1HG GLU 33 20.276 12.562 4.129 250 2HG GLU 33 2HG GLU 33 21.070 10.991 4.237 251 H ASP 34 H ASP 34 16.605 11.555 1.761 252 HA ASP 34 HA ASP 34 16.296 13.912 3.405 253 1HB ASP 34 1HB ASP 34 15.994 13.935 0.922 254 2HB ASP 34 2HB ASP 34 14.548 12.957 1.130 255 H ILE 35 H ILE 35 15.057 10.746 3.369 256 HA ILE 35 HA ILE 35 12.708 11.485 4.958 257 HB ILE 35 HB ILE 35 12.095 9.099 4.824 258 1HG1 ILE 35 1HG1 ILE 35 14.575 8.866 3.101 259 2HG1 ILE 35 2HG1 ILE 35 14.333 8.121 4.676 260 1HG2 ILE 35 1HG2 ILE 35 11.568 9.071 2.421 261 2HG2 ILE 35 2HG2 ILE 35 12.699 10.400 2.172 262 3HG2 ILE 35 3HG2 ILE 35 11.255 10.643 3.156 263 1HD1 ILE 35 1HD1 ILE 35 12.801 7.501 2.164 264 2HD1 ILE 35 2HD1 ILE 35 12.523 6.768 3.745 265 3HD1 ILE 35 3HD1 ILE 35 14.052 6.503 2.907 266 H GLY 36 H GLY 36 15.771 11.341 5.618 267 1HA GLY 36 1HA GLY 36 16.808 11.373 7.667 268 2HA GLY 36 2HA GLY 36 15.271 10.960 8.399 269 H GLY 37 H GLY 37 15.401 8.522 6.402 270 1HA GLY 37 1HA GLY 37 16.087 6.319 6.579 271 2HA GLY 37 2HA GLY 37 17.414 6.869 7.601 272 H LEU 38 H LEU 38 13.977 7.404 8.083 273 HA LEU 38 HA LEU 38 14.192 6.398 10.795 274 1HB LEU 38 1HB LEU 38 11.831 7.234 10.963 275 2HB LEU 38 2HB LEU 38 13.016 8.458 10.559 276 HG LEU 38 HG LEU 38 12.261 7.949 8.091 277 1HD1 LEU 38 1HD1 LEU 38 9.859 7.426 7.965 278 2HD1 LEU 38 2HD1 LEU 38 9.869 7.064 9.694 279 3HD1 LEU 38 3HD1 LEU 38 10.819 6.079 8.581 280 1HD2 LEU 38 1HD2 LEU 38 10.557 9.530 10.012 281 2HD2 LEU 38 2HD2 LEU 38 10.618 9.737 8.260 282 3HD2 LEU 38 3HD2 LEU 38 12.040 10.096 9.240 283 H ARG 39 H ARG 39 12.446 4.893 11.606 284 HA ARG 39 HA ARG 39 12.399 2.638 9.803 285 1HB ARG 39 1HB ARG 39 11.600 1.313 11.619 286 2HB ARG 39 2HB ARG 39 12.874 2.345 12.237 287 1HG ARG 39 1HG ARG 39 11.417 3.624 13.486 288 2HG ARG 39 2HG ARG 39 10.021 3.178 12.501 289 1HD ARG 39 1HD ARG 39 9.982 2.095 14.707 290 2HD ARG 39 2HD ARG 39 10.076 0.928 13.388 291 HE ARG 39 HE ARG 39 12.519 1.742 14.807 292 1HH1 ARG 39 1HH1 ARG 39 10.156 -0.736 14.024 293 2HH1 ARG 39 2HH1 ARG 39 11.192 -2.052 14.491 294 1HH2 ARG 39 1HH2 ARG 39 13.887 0.014 15.414 295 2HH2 ARG 39 2HH2 ARG 39 13.315 -1.624 15.288 296 H SER 40 H SER 40 10.690 1.664 8.910 297 HA SER 40 HA SER 40 8.271 3.246 8.635 298 1HB SER 40 1HB SER 40 7.766 1.370 6.936 299 2HB SER 40 2HB SER 40 9.108 2.454 6.574 300 HG SER 40 HG SER 40 9.133 -0.243 7.313 301 H SER 41 H SER 41 6.161 2.236 8.834 302 HA SER 41 HA SER 41 6.021 0.417 11.081 303 1HB SER 41 1HB SER 41 4.502 2.405 10.882 304 2HB SER 41 2HB SER 41 3.754 1.640 9.480 305 HG SER 41 HG SER 41 2.734 0.271 10.744 306 H ALA 42 H ALA 42 5.773 -1.702 10.894 307 HA ALA 42 HA ALA 42 6.043 -3.041 8.467 308 1HB ALA 42 1HB ALA 42 6.659 -4.003 10.637 309 2HB ALA 42 2HB ALA 42 5.602 -5.078 9.721 310 3HB ALA 42 3HB ALA 42 4.952 -4.131 11.059 311 H LEU 43 H LEU 43 4.622 -2.923 6.873 312 HA LEU 43 HA LEU 43 1.775 -3.344 7.481 313 1HB LEU 43 1HB LEU 43 2.301 -1.205 6.359 314 2HB LEU 43 2HB LEU 43 3.033 -2.090 5.034 315 HG LEU 43 HG LEU 43 0.866 -3.077 4.476 316 1HD1 LEU 43 1HD1 LEU 43 -1.172 -2.284 5.571 317 2HD1 LEU 43 2HD1 LEU 43 -0.198 -1.374 6.725 318 3HD1 LEU 43 3HD1 LEU 43 -0.118 -3.136 6.698 319 1HD2 LEU 43 1HD2 LEU 43 -0.223 -1.042 3.671 320 2HD2 LEU 43 2HD2 LEU 43 1.521 -0.991 3.418 321 3HD2 LEU 43 3HD2 LEU 43 0.794 -0.078 4.741 322 H LYS 44 H LYS 44 1.919 -5.572 7.571 323 HA LYS 44 HA LYS 44 2.618 -6.894 5.043 324 1HB LYS 44 1HB LYS 44 3.042 -8.925 6.523 325 2HB LYS 44 2HB LYS 44 4.200 -7.603 6.630 326 1HG LYS 44 1HG LYS 44 3.060 -6.810 8.674 327 2HG LYS 44 2HG LYS 44 1.990 -8.211 8.591 328 1HD LYS 44 1HD LYS 44 4.993 -8.429 8.724 329 2HD LYS 44 2HD LYS 44 3.962 -8.420 10.155 330 1HE LYS 44 1HE LYS 44 3.736 -10.392 7.886 331 2HE LYS 44 2HE LYS 44 4.600 -10.693 9.393 332 1HZ LYS 44 1HZ LYS 44 2.494 -10.325 10.591 333 2HZ LYS 44 2HZ LYS 44 2.409 -11.636 9.520 334 3HZ LYS 44 3HZ LYS 44 1.686 -10.159 9.108 335 H GLY 45 H GLY 45 0.953 -7.630 3.985 336 1HA GLY 45 1HA GLY 45 -1.008 -9.344 4.946 337 2HA GLY 45 2HA GLY 45 -1.671 -7.717 5.047 338 H ARG 46 H ARG 46 -3.250 -8.556 3.447 339 HA ARG 46 HA ARG 46 -2.095 -8.537 0.729 340 1HB ARG 46 1HB ARG 46 -3.208 -10.701 1.445 341 2HB ARG 46 2HB ARG 46 -4.725 -9.811 1.505 342 1HG ARG 46 1HG ARG 46 -4.195 -9.161 -0.928 343 2HG ARG 46 2HG ARG 46 -3.033 -10.487 -0.869 344 1HD ARG 46 1HD ARG 46 -5.039 -11.375 -1.762 345 2HD ARG 46 2HD ARG 46 -4.917 -11.961 -0.103 346 HE ARG 46 HE ARG 46 -6.515 -9.555 -0.618 347 1HH1 ARG 46 1HH1 ARG 46 -6.388 -12.958 0.244 348 2HH1 ARG 46 2HH1 ARG 46 -8.058 -13.015 0.727 349 1HH2 ARG 46 1HH2 ARG 46 -8.657 -9.614 0.022 350 2HH2 ARG 46 2HH2 ARG 46 -9.361 -11.092 0.620 351 H HIS 47 H HIS 47 -2.367 -6.481 0.045 352 HA HIS 47 HA HIS 47 -5.088 -5.427 0.042 353 1HB HIS 47 1HB HIS 47 -2.727 -3.931 1.188 354 2HB HIS 47 2HB HIS 47 -4.246 -3.163 0.746 355 HD1 HIS 47 HD1 HIS 47 -6.407 -4.484 2.025 356 HD2 HIS 47 HD2 HIS 47 -2.651 -4.544 3.804 357 HE1 HIS 47 HE1 HIS 47 -6.815 -4.981 4.454 358 HE2 HIS 47 HE2 HIS 47 -4.532 -5.025 5.520 359 H ASP 48 H ASP 48 -5.185 -3.351 -1.248 360 HA ASP 48 HA ASP 48 -4.008 -3.750 -3.813 361 1HB ASP 48 1HB ASP 48 -5.484 -1.347 -2.711 362 2HB ASP 48 2HB ASP 48 -5.102 -1.613 -4.406 363 H LEU 49 H LEU 49 -2.751 -2.016 -4.948 364 HA LEU 49 HA LEU 49 -0.415 -1.305 -3.560 365 1HB LEU 49 1HB LEU 49 -0.465 -1.502 -5.985 366 2HB LEU 49 2HB LEU 49 -1.598 -0.168 -6.096 367 HG LEU 49 HG LEU 49 0.163 1.339 -5.176 368 1HD1 LEU 49 1HD1 LEU 49 2.483 0.555 -5.180 369 2HD1 LEU 49 2HD1 LEU 49 1.923 -1.082 -5.521 370 3HD1 LEU 49 3HD1 LEU 49 1.501 -0.306 -3.995 371 1HD2 LEU 49 1HD2 LEU 49 -0.241 1.184 -7.575 372 2HD2 LEU 49 2HD2 LEU 49 0.896 -0.161 -7.688 373 3HD2 LEU 49 3HD2 LEU 49 1.470 1.445 -7.235 374 H GLN 50 H GLN 50 -3.054 0.761 -4.730 375 HA GLN 50 HA GLN 50 -2.213 3.113 -3.445 376 1HB GLN 50 1HB GLN 50 -4.968 2.263 -4.346 377 2HB GLN 50 2HB GLN 50 -4.532 3.898 -3.861 378 1HG GLN 50 1HG GLN 50 -3.081 4.158 -5.711 379 2HG GLN 50 2HG GLN 50 -3.163 2.441 -6.103 380 1HE2 GLN 50 1HE2 GLN 50 -3.835 2.872 -8.194 381 2HE2 GLN 50 2HE2 GLN 50 -5.451 3.402 -8.552 382 H SER 51 H SER 51 -4.267 0.473 -2.371 383 HA SER 51 HA SER 51 -5.273 1.655 -0.037 384 1HB SER 51 1HB SER 51 -6.174 -0.424 -0.992 385 2HB SER 51 2HB SER 51 -4.669 -1.260 -0.617 386 HG SER 51 HG SER 51 -6.408 -1.569 0.923 387 H SER 52 H SER 52 -2.421 -0.415 -0.542 388 HA SER 52 HA SER 52 -1.467 -0.331 2.090 389 1HB SER 52 1HB SER 52 0.141 -0.630 -0.455 390 2HB SER 52 2HB SER 52 0.632 -1.141 1.162 391 HG SER 52 HG SER 52 -1.238 -2.269 -0.588 392 H LEU 53 H LEU 53 -0.776 1.768 -0.703 393 HA LEU 53 HA LEU 53 1.165 3.396 0.449 394 1HB LEU 53 1HB LEU 53 -0.996 4.125 -1.532 395 2HB LEU 53 2HB LEU 53 0.377 5.142 -1.146 396 HG LEU 53 HG LEU 53 0.565 2.397 -2.393 397 1HD1 LEU 53 1HD1 LEU 53 0.832 5.141 -3.613 398 2HD1 LEU 53 2HD1 LEU 53 -0.459 3.980 -3.916 399 3HD1 LEU 53 3HD1 LEU 53 1.189 3.620 -4.430 400 1HD2 LEU 53 1HD2 LEU 53 2.898 2.971 -2.776 401 2HD2 LEU 53 2HD2 LEU 53 2.526 3.015 -1.051 402 3HD2 LEU 53 3HD2 LEU 53 2.665 4.519 -1.963 403 H ARG 54 H ARG 54 -2.358 3.677 0.539 404 HA ARG 54 HA ARG 54 -2.517 6.102 1.930 405 1HB ARG 54 1HB ARG 54 -4.460 5.198 0.846 406 2HB ARG 54 2HB ARG 54 -4.404 3.745 1.834 407 1HG ARG 54 1HG ARG 54 -4.993 5.010 3.803 408 2HG ARG 54 2HG ARG 54 -4.927 6.519 2.891 409 1HD ARG 54 1HD ARG 54 -7.231 5.732 3.214 410 2HD ARG 54 2HD ARG 54 -6.784 5.803 1.513 411 HE ARG 54 HE ARG 54 -6.658 3.245 2.963 412 1HH1 ARG 54 1HH1 ARG 54 -7.998 5.243 0.419 413 2HH1 ARG 54 2HH1 ARG 54 -8.792 3.918 -0.380 414 1HH2 ARG 54 1HH2 ARG 54 -7.747 1.497 1.955 415 2HH2 ARG 54 2HH2 ARG 54 -8.695 1.794 0.520 416 H ILE 55 H ILE 55 -2.476 2.760 3.155 417 HA ILE 55 HA ILE 55 -2.783 3.436 5.868 418 HB ILE 55 HB ILE 55 -1.404 1.002 4.726 419 1HG1 ILE 55 1HG1 ILE 55 -4.298 1.350 5.538 420 2HG1 ILE 55 2HG1 ILE 55 -3.729 1.387 3.873 421 1HG2 ILE 55 1HG2 ILE 55 -0.933 1.286 7.087 422 2HG2 ILE 55 2HG2 ILE 55 -2.060 -0.054 6.862 423 3HG2 ILE 55 3HG2 ILE 55 -2.650 1.509 7.428 424 1HD1 ILE 55 1HD1 ILE 55 -4.676 -0.775 4.443 425 2HD1 ILE 55 2HD1 ILE 55 -3.509 -0.951 5.756 426 3HD1 ILE 55 3HD1 ILE 55 -2.955 -0.913 4.081 427 H LEU 56 H LEU 56 0.140 2.829 3.940 428 HA LEU 56 HA LEU 56 1.920 3.042 6.140 429 1HB LEU 56 1HB LEU 56 2.116 2.143 3.577 430 2HB LEU 56 2HB LEU 56 2.970 3.667 3.459 431 HG LEU 56 HG LEU 56 3.652 1.461 5.411 432 1HD1 LEU 56 1HD1 LEU 56 5.592 1.074 3.982 433 2HD1 LEU 56 2HD1 LEU 56 4.994 2.275 2.838 434 3HD1 LEU 56 3HD1 LEU 56 4.085 0.788 3.112 435 1HD2 LEU 56 1HD2 LEU 56 5.700 2.728 5.787 436 2HD2 LEU 56 2HD2 LEU 56 4.281 3.686 6.212 437 3HD2 LEU 56 3HD2 LEU 56 5.132 3.993 4.698 438 H LEU 57 H LEU 57 0.654 5.358 3.804 439 HA LEU 57 HA LEU 57 2.339 7.443 5.011 440 1HB LEU 57 1HB LEU 57 0.980 7.254 2.339 441 2HB LEU 57 2HB LEU 57 1.545 8.788 2.969 442 HG LEU 57 HG LEU 57 3.852 7.744 3.116 443 1HD1 LEU 57 1HD1 LEU 57 3.195 5.402 3.027 444 2HD1 LEU 57 2HD1 LEU 57 4.298 5.807 1.710 445 3HD1 LEU 57 3HD1 LEU 57 2.572 5.633 1.392 446 1HD2 LEU 57 1HD2 LEU 57 4.310 8.075 0.746 447 2HD2 LEU 57 2HD2 LEU 57 3.209 9.311 1.358 448 3HD2 LEU 57 3HD2 LEU 57 2.586 7.972 0.395 449 H GLN 58 H GLN 58 -0.327 6.277 5.947 450 HA GLN 58 HA GLN 58 -2.392 8.077 5.764 451 1HB GLN 58 1HB GLN 58 -3.174 7.236 7.927 452 2HB GLN 58 2HB GLN 58 -2.611 5.932 6.894 453 1HG GLN 58 1HG GLN 58 -0.518 5.840 8.133 454 2HG GLN 58 2HG GLN 58 -1.057 7.168 9.158 455 1HE2 GLN 58 1HE2 GLN 58 -3.820 6.140 9.181 456 2HE2 GLN 58 2HE2 GLN 58 -3.804 4.802 10.277 457 H GLY 59 H GLY 59 0.444 8.315 7.859 458 1HA GLY 59 1HA GLY 59 0.058 11.150 8.120 459 2HA GLY 59 2HA GLY 59 -0.261 10.279 9.613 460 H THR 60 H THR 60 2.145 9.324 7.254 461 HA THR 60 HA THR 60 4.194 9.488 9.288 462 HB THR 60 HB THR 60 5.595 8.555 7.286 463 HG1 THR 60 HG1 THR 60 3.724 7.297 6.057 464 1HG2 THR 60 1HG2 THR 60 4.773 6.285 7.767 465 2HG2 THR 60 2HG2 THR 60 3.354 6.977 8.555 466 3HG2 THR 60 3HG2 THR 60 4.958 7.240 9.239 467 H GLY 61 H GLY 61 2.948 11.655 7.161 468 1HA GLY 61 1HA GLY 61 3.714 13.843 6.860 469 2HA GLY 61 2HA GLY 61 5.306 13.337 7.416 470 H LEU 62 H LEU 62 4.340 11.094 5.212 471 HA LEU 62 HA LEU 62 5.855 12.402 3.081 472 1HB LEU 62 1HB LEU 62 4.995 9.519 3.378 473 2HB LEU 62 2HB LEU 62 6.037 10.154 2.121 474 HG LEU 62 HG LEU 62 6.715 10.084 5.063 475 1HD1 LEU 62 1HD1 LEU 62 8.305 8.335 4.428 476 2HD1 LEU 62 2HD1 LEU 62 7.685 8.372 2.776 477 3HD1 LEU 62 3HD1 LEU 62 6.640 7.850 4.099 478 1HD2 LEU 62 1HD2 LEU 62 8.961 10.696 4.317 479 2HD2 LEU 62 2HD2 LEU 62 7.781 11.937 3.896 480 3HD2 LEU 62 3HD2 LEU 62 8.376 10.831 2.660 481 H ARG 63 H ARG 63 5.047 12.477 0.972 482 HA ARG 63 HA ARG 63 2.141 12.048 0.722 483 1HB ARG 63 1HB ARG 63 3.905 14.131 -0.571 484 2HB ARG 63 2HB ARG 63 2.243 13.825 -1.054 485 1HG ARG 63 1HG ARG 63 1.413 14.566 1.045 486 2HG ARG 63 2HG ARG 63 3.040 14.633 1.729 487 1HD ARG 63 1HD ARG 63 2.132 16.856 1.077 488 2HD ARG 63 2HD ARG 63 3.645 16.430 0.278 489 HE ARG 63 HE ARG 63 1.088 15.979 -1.099 490 1HH1 ARG 63 1HH1 ARG 63 4.169 17.627 -0.873 491 2HH1 ARG 63 2HH1 ARG 63 4.125 18.244 -2.496 492 1HH2 ARG 63 1HH2 ARG 63 1.014 16.768 -3.246 493 2HH2 ARG 63 2HH2 ARG 63 2.309 17.767 -3.846 494 H TYR 64 H TYR 64 1.425 10.916 -1.022 495 HA TYR 64 HA TYR 64 3.531 9.740 -2.694 496 1HB TYR 64 1HB TYR 64 1.907 7.933 -3.217 497 2HB TYR 64 2HB TYR 64 2.323 8.030 -1.513 498 HD1 TYR 64 HD1 TYR 64 0.655 9.012 0.096 499 HD2 TYR 64 HD2 TYR 64 -0.332 8.143 -3.953 500 HE1 TYR 64 HE1 TYR 64 -1.735 9.063 0.670 501 HE2 TYR 64 HE2 TYR 64 -2.723 8.198 -3.388 502 HH TYR 64 HH TYR 64 -4.155 7.904 -1.430 503 H GLN 65 H GLN 65 3.787 10.607 -4.573 504 HA GLN 65 HA GLN 65 1.447 11.573 -6.072 505 1HB GLN 65 1HB GLN 65 3.155 13.252 -5.813 506 2HB GLN 65 2HB GLN 65 4.405 12.138 -6.340 507 1HG GLN 65 1HG GLN 65 3.389 12.090 -8.576 508 2HG GLN 65 2HG GLN 65 2.190 13.263 -8.037 509 1HE2 GLN 65 1HE2 GLN 65 5.534 12.736 -8.827 510 2HE2 GLN 65 2HE2 GLN 65 5.981 14.405 -8.943 511 H ILE 66 H ILE 66 0.660 10.133 -7.490 512 HA ILE 66 HA ILE 66 2.476 8.056 -8.468 513 HB ILE 66 HB ILE 66 0.483 7.225 -7.324 514 1HG1 ILE 66 1HG1 ILE 66 0.395 6.680 -10.298 515 2HG1 ILE 66 2HG1 ILE 66 1.499 5.918 -9.159 516 1HG2 ILE 66 1HG2 ILE 66 -1.749 7.511 -8.256 517 2HG2 ILE 66 2HG2 ILE 66 -1.100 8.578 -9.502 518 3HG2 ILE 66 3HG2 ILE 66 -1.042 9.064 -7.808 519 1HD1 ILE 66 1HD1 ILE 66 -0.399 4.911 -8.003 520 2HD1 ILE 66 2HD1 ILE 66 -0.343 4.452 -9.704 521 3HD1 ILE 66 3HD1 ILE 66 -1.496 5.668 -9.157 522 H ASP 67 H ASP 67 3.123 8.011 -10.471 523 HA ASP 67 HA ASP 67 1.648 9.502 -12.528 524 1HB ASP 67 1HB ASP 67 3.488 10.939 -11.780 525 2HB ASP 67 2HB ASP 67 4.634 9.627 -12.038 526 H GLY 68 H GLY 68 0.970 7.848 -13.760 527 1HA GLY 68 1HA GLY 68 0.987 5.945 -15.042 528 2HA GLY 68 2HA GLY 68 2.683 6.299 -15.327 529 H ASN 69 H ASN 69 4.181 4.992 -14.479 530 HA ASN 69 HA ASN 69 3.258 2.915 -12.607 531 1HB ASN 69 1HB ASN 69 5.598 2.868 -14.530 532 2HB ASN 69 2HB ASN 69 5.147 1.560 -13.442 533 1HD2 ASN 69 1HD2 ASN 69 3.341 0.324 -13.883 534 2HD2 ASN 69 2HD2 ASN 69 2.563 0.346 -15.432 535 H THR 70 H THR 70 4.569 5.757 -12.381 536 HA THR 70 HA THR 70 6.786 4.989 -10.608 537 HB THR 70 HB THR 70 6.244 7.696 -11.850 538 HG1 THR 70 HG1 THR 70 8.347 6.923 -12.951 539 1HG2 THR 70 1HG2 THR 70 8.648 6.632 -10.352 540 2HG2 THR 70 2HG2 THR 70 7.503 7.833 -9.755 541 3HG2 THR 70 3HG2 THR 70 8.541 8.210 -11.131 542 H VAL 71 H VAL 71 6.710 5.434 -8.518 543 HA VAL 71 HA VAL 71 4.485 7.070 -7.490 544 HB VAL 71 HB VAL 71 6.032 4.940 -5.997 545 1HG1 VAL 71 1HG1 VAL 71 3.532 6.463 -5.278 546 2HG1 VAL 71 2HG1 VAL 71 5.125 6.657 -4.545 547 3HG1 VAL 71 3HG1 VAL 71 4.234 5.149 -4.334 548 1HG2 VAL 71 1HG2 VAL 71 4.037 3.541 -6.198 549 2HG2 VAL 71 2HG2 VAL 71 4.713 3.926 -7.780 550 3HG2 VAL 71 3HG2 VAL 71 3.274 4.770 -7.208 551 H THR 72 H THR 72 5.175 9.026 -6.900 552 HA THR 72 HA THR 72 8.011 9.360 -6.219 553 HB THR 72 HB THR 72 6.018 11.541 -6.843 554 HG1 THR 72 HG1 THR 72 6.901 9.680 -8.498 555 1HG2 THR 72 1HG2 THR 72 8.022 12.840 -7.379 556 2HG2 THR 72 2HG2 THR 72 9.035 11.454 -6.978 557 3HG2 THR 72 3HG2 THR 72 8.087 12.246 -5.720 558 H VAL 73 H VAL 73 8.478 9.494 -4.137 559 HA VAL 73 HA VAL 73 6.366 10.230 -2.241 560 HB VAL 73 HB VAL 73 9.069 8.992 -1.683 561 1HG1 VAL 73 1HG1 VAL 73 8.179 10.216 0.222 562 2HG1 VAL 73 2HG1 VAL 73 8.131 8.479 0.523 563 3HG1 VAL 73 3HG1 VAL 73 6.653 9.343 0.094 564 1HG2 VAL 73 1HG2 VAL 73 6.356 7.686 -1.861 565 2HG2 VAL 73 2HG2 VAL 73 7.844 6.896 -1.339 566 3HG2 VAL 73 3HG2 VAL 73 7.692 7.480 -2.995 567 H THR 74 H THR 74 6.309 12.309 -1.750 568 HA THR 74 HA THR 74 8.855 13.743 -1.432 569 HB THR 74 HB THR 74 7.592 14.867 -3.097 570 HG1 THR 74 HG1 THR 74 8.447 16.280 -1.482 571 1HG2 THR 74 1HG2 THR 74 5.216 14.786 -1.239 572 2HG2 THR 74 2HG2 THR 74 5.422 13.819 -2.697 573 3HG2 THR 74 3HG2 THR 74 5.268 15.571 -2.817 574 H ALA 75 H ALA 75 9.393 14.512 0.516 575 HA ALA 75 HA ALA 75 7.678 13.815 2.741 576 1HB ALA 75 1HB ALA 75 10.023 13.163 2.828 577 2HB ALA 75 2HB ALA 75 9.636 14.293 4.127 578 3HB ALA 75 3HB ALA 75 10.505 14.856 2.700 579 H SER 76 H SER 76 6.564 15.249 3.938 580 HA SER 76 HA SER 76 6.983 18.096 3.339 581 1HB SER 76 1HB SER 76 4.654 18.399 4.236 582 2HB SER 76 2HB SER 76 4.739 17.419 2.775 583 HG SER 76 HG SER 76 4.887 15.618 4.510 584 H ALA 77 H ALA 77 7.795 19.353 4.859 585 HA ALA 77 HA ALA 77 8.551 20.133 6.846 586 1HB ALA 77 1HB ALA 77 7.186 19.788 8.830 587 2HB ALA 77 2HB ALA 77 6.314 18.484 8.022 588 3HB ALA 77 3HB ALA 77 6.173 20.139 7.429 589 H ALA 78 H ALA 78 9.802 17.819 5.764 590 HA ALA 78 HA ALA 78 10.674 16.449 8.235 591 1HB ALA 78 1HB ALA 78 9.676 14.938 6.586 592 2HB ALA 78 2HB ALA 78 11.393 14.601 6.815 593 3HB ALA 78 3HB ALA 78 10.850 15.477 5.385 594 H ALA 79 H ALA 79 11.481 18.884 6.285 595 HA ALA 79 HA ALA 79 14.324 18.259 6.091 596 1HB ALA 79 1HB ALA 79 12.768 20.574 4.942 597 2HB ALA 79 2HB ALA 79 13.249 19.118 4.072 598 3HB ALA 79 3HB ALA 79 14.476 20.241 4.661 599 H LYS 80 H LYS 80 15.427 18.695 7.876 600 HA LYS 80 HA LYS 80 14.891 21.172 9.345 601 1HB LYS 80 1HB LYS 80 15.256 19.138 10.665 602 2HB LYS 80 2HB LYS 80 16.818 18.896 9.896 603 1HG LYS 80 1HG LYS 80 17.049 19.807 12.141 604 2HG LYS 80 2HG LYS 80 17.662 20.926 10.923 605 1HD LYS 80 1HD LYS 80 16.408 22.181 12.546 606 2HD LYS 80 2HD LYS 80 15.499 22.150 11.037 607 1HE LYS 80 1HE LYS 80 14.043 21.801 12.970 608 2HE LYS 80 2HE LYS 80 14.070 20.388 11.916 609 1HZ LYS 80 1HZ LYS 80 15.884 20.540 14.235 610 2HZ LYS 80 2HZ LYS 80 15.278 19.169 13.435 611 3HZ LYS 80 3HZ LYS 80 14.267 20.074 14.448 612 H ASP 81 H ASP 81 16.944 19.802 6.991 613 HA ASP 81 HA ASP 81 18.938 21.910 7.159 614 1HB ASP 81 1HB ASP 81 18.590 19.588 5.246 615 2HB ASP 81 2HB ASP 81 19.866 20.791 5.092 616 H GLY 82 H GLY 82 19.036 23.649 5.835 617 1HA GLY 82 1HA GLY 82 17.032 23.880 3.704 618 2HA GLY 82 2HA GLY 82 17.019 25.073 4.997 Start of MODEL 11 1 1H SER 1 1H SER 1 -11.173 -6.605 -9.344 2 2H SER 1 2H SER 1 -9.771 -5.903 -9.988 3 3H SER 1 3H SER 1 -11.209 -5.014 -9.927 4 HA SER 1 HA SER 1 -9.675 -4.323 -8.209 5 1HB SER 1 1HB SER 1 -12.123 -5.780 -7.173 6 2HB SER 1 2HB SER 1 -11.252 -4.505 -6.322 7 HG SER 1 HG SER 1 -12.301 -3.086 -7.449 8 H GLN 2 H GLN 2 -7.743 -5.405 -7.994 9 HA GLN 2 HA GLN 2 -7.810 -7.847 -6.339 10 1HB GLN 2 1HB GLN 2 -5.787 -8.595 -7.453 11 2HB GLN 2 2HB GLN 2 -7.025 -8.264 -8.652 12 1HG GLN 2 1HG GLN 2 -5.985 -6.146 -9.193 13 2HG GLN 2 2HG GLN 2 -4.783 -6.392 -7.930 14 1HE2 GLN 2 1HE2 GLN 2 -3.159 -7.931 -8.235 15 2HE2 GLN 2 2HE2 GLN 2 -2.779 -8.559 -9.802 16 H GLU 3 H GLU 3 -5.971 -8.147 -4.922 17 HA GLU 3 HA GLU 3 -4.450 -5.701 -4.337 18 1HB GLU 3 1HB GLU 3 -5.754 -7.505 -2.286 19 2HB GLU 3 2HB GLU 3 -4.627 -6.206 -1.916 20 1HG GLU 3 1HG GLU 3 -6.260 -4.663 -3.109 21 2HG GLU 3 2HG GLU 3 -7.405 -6.002 -3.025 22 H TRP 4 H TRP 4 -2.663 -6.460 -2.577 23 HA TRP 4 HA TRP 4 -1.408 -8.823 -3.804 24 1HB TRP 4 1HB TRP 4 -0.198 -6.095 -3.354 25 2HB TRP 4 2HB TRP 4 0.782 -7.535 -3.624 26 HD1 TRP 4 HD1 TRP 4 0.652 -8.666 -6.070 27 HE1 TRP 4 HE1 TRP 4 0.023 -7.682 -8.363 28 HE3 TRP 4 HE3 TRP 4 -1.696 -4.404 -4.498 29 HZ2 TRP 4 HZ2 TRP 4 -1.287 -5.389 -9.366 30 HZ3 TRP 4 HZ3 TRP 4 -2.607 -2.868 -6.187 31 HH2 TRP 4 HH2 TRP 4 -2.407 -3.351 -8.570 32 H THR 5 H THR 5 -0.000 -9.994 -2.515 33 HA THR 5 HA THR 5 -0.344 -9.611 0.351 34 HB THR 5 HB THR 5 1.065 -11.846 -1.140 35 HG1 THR 5 HG1 THR 5 -0.964 -12.343 -1.589 36 1HG2 THR 5 1HG2 THR 5 0.178 -11.622 1.741 37 2HG2 THR 5 2HG2 THR 5 1.843 -11.635 1.161 38 3HG2 THR 5 3HG2 THR 5 0.838 -13.072 0.989 39 H LEU 6 H LEU 6 1.004 -8.154 1.193 40 HA LEU 6 HA LEU 6 3.746 -7.988 0.116 41 1HB LEU 6 1HB LEU 6 2.046 -5.769 1.263 42 2HB LEU 6 2HB LEU 6 3.656 -5.595 0.586 43 HG LEU 6 HG LEU 6 1.294 -6.550 -1.029 44 1HD1 LEU 6 1HD1 LEU 6 2.410 -3.759 -0.817 45 2HD1 LEU 6 2HD1 LEU 6 0.851 -4.297 -0.187 46 3HD1 LEU 6 3HD1 LEU 6 1.149 -4.294 -1.926 47 1HD2 LEU 6 1HD2 LEU 6 3.522 -7.142 -1.881 48 2HD2 LEU 6 2HD2 LEU 6 3.981 -5.441 -1.840 49 3HD2 LEU 6 3HD2 LEU 6 2.705 -5.983 -2.929 50 H ASP 7 H ASP 7 5.185 -8.687 1.552 51 HA ASP 7 HA ASP 7 4.727 -8.241 4.408 52 1HB ASP 7 1HB ASP 7 6.910 -9.761 2.956 53 2HB ASP 7 2HB ASP 7 6.818 -9.584 4.703 54 H ILE 8 H ILE 8 5.130 -6.148 4.842 55 HA ILE 8 HA ILE 8 7.425 -4.862 3.555 56 HB ILE 8 HB ILE 8 5.000 -3.688 4.918 57 1HG1 ILE 8 1HG1 ILE 8 4.590 -4.625 2.684 58 2HG1 ILE 8 2HG1 ILE 8 4.461 -2.867 2.665 59 1HG2 ILE 8 1HG2 ILE 8 7.329 -2.252 3.653 60 2HG2 ILE 8 2HG2 ILE 8 6.917 -2.271 5.369 61 3HG2 ILE 8 3HG2 ILE 8 5.837 -1.495 4.211 62 1HD1 ILE 8 1HD1 ILE 8 6.698 -2.719 1.694 63 2HD1 ILE 8 2HD1 ILE 8 5.619 -3.696 0.698 64 3HD1 ILE 8 3HD1 ILE 8 6.823 -4.478 1.723 65 HA PRO 9 HA PRO 9 9.740 -5.325 7.340 66 1HB PRO 9 1HB PRO 9 11.388 -3.248 5.986 67 2HB PRO 9 2HB PRO 9 11.875 -4.808 6.667 68 1HG PRO 9 1HG PRO 9 11.699 -4.489 4.039 69 2HG PRO 9 2HG PRO 9 11.135 -5.990 4.799 70 1HD PRO 9 1HD PRO 9 9.548 -3.662 3.801 71 2HD PRO 9 2HD PRO 9 9.215 -5.400 3.652 72 H ALA 10 H ALA 10 10.377 -4.084 9.122 73 HA ALA 10 HA ALA 10 9.190 -1.386 9.282 74 1HB ALA 10 1HB ALA 10 8.811 -1.795 11.663 75 2HB ALA 10 2HB ALA 10 9.488 -3.416 11.500 76 3HB ALA 10 3HB ALA 10 7.984 -3.002 10.678 77 H GLN 11 H GLN 11 11.797 -2.153 8.393 78 HA GLN 11 HA GLN 11 13.533 -1.008 10.450 79 1HB GLN 11 1HB GLN 11 15.364 -1.666 8.892 80 2HB GLN 11 2HB GLN 11 14.377 -3.030 9.405 81 1HG GLN 11 1HG GLN 11 13.147 -2.910 7.282 82 2HG GLN 11 2HG GLN 11 14.192 -1.586 6.769 83 1HE2 GLN 11 1HE2 GLN 11 13.955 -4.996 7.342 84 2HE2 GLN 11 2HE2 GLN 11 15.445 -5.431 6.573 85 H SER 12 H SER 12 15.349 -0.010 8.303 86 HA SER 12 HA SER 12 14.551 2.613 8.012 87 1HB SER 12 1HB SER 12 16.217 1.038 6.033 88 2HB SER 12 2HB SER 12 16.257 2.783 6.293 89 HG SER 12 HG SER 12 17.301 2.511 8.170 90 H MET 13 H MET 13 13.145 3.659 6.793 91 HA MET 13 HA MET 13 11.059 2.540 5.396 92 1HB MET 13 1HB MET 13 11.208 4.893 6.205 93 2HB MET 13 2HB MET 13 12.301 5.250 4.878 94 1HG MET 13 1HG MET 13 10.234 6.026 4.149 95 2HG MET 13 2HG MET 13 10.425 4.471 3.341 96 1HE MET 13 1HE MET 13 9.472 5.260 7.076 97 2HE MET 13 2HE MET 13 7.711 5.211 6.996 98 3HE MET 13 3HE MET 13 8.601 6.481 6.151 99 H ASN 14 H ASN 14 14.231 3.415 4.248 100 HA ASN 14 HA ASN 14 13.934 3.388 1.507 101 1HB ASN 14 1HB ASN 14 16.292 2.159 2.954 102 2HB ASN 14 2HB ASN 14 16.286 2.894 1.358 103 1HD2 ASN 14 1HD2 ASN 14 17.876 4.384 1.810 104 2HD2 ASN 14 2HD2 ASN 14 17.656 5.699 2.921 105 H SER 15 H SER 15 14.224 0.667 3.744 106 HA SER 15 HA SER 15 14.526 -1.305 1.687 107 1HB SER 15 1HB SER 15 13.717 -1.788 4.565 108 2HB SER 15 2HB SER 15 14.556 -2.891 3.468 109 HG SER 15 HG SER 15 16.059 -1.984 4.858 110 H ALA 16 H ALA 16 11.927 -0.143 3.765 111 HA ALA 16 HA ALA 16 9.982 -2.039 3.054 112 1HB ALA 16 1HB ALA 16 8.376 -0.516 4.013 113 2HB ALA 16 2HB ALA 16 9.539 0.807 3.932 114 3HB ALA 16 3HB ALA 16 9.828 -0.555 5.015 115 H LEU 17 H LEU 17 10.701 1.177 1.722 116 HA LEU 17 HA LEU 17 8.584 1.202 -0.145 117 1HB LEU 17 1HB LEU 17 11.229 2.658 -0.183 118 2HB LEU 17 2HB LEU 17 9.891 2.999 -1.266 119 HG LEU 17 HG LEU 17 9.849 3.321 1.736 120 1HD1 LEU 17 1HD1 LEU 17 11.224 4.992 0.615 121 2HD1 LEU 17 2HD1 LEU 17 9.740 5.706 1.252 122 3HD1 LEU 17 3HD1 LEU 17 9.887 5.368 -0.472 123 1HD2 LEU 17 1HD2 LEU 17 7.672 4.375 1.379 124 2HD2 LEU 17 2HD2 LEU 17 7.660 2.689 0.863 125 3HD2 LEU 17 3HD2 LEU 17 7.759 3.979 -0.337 126 H GLN 18 H GLN 18 12.014 0.348 -0.505 127 HA GLN 18 HA GLN 18 11.920 -0.293 -3.229 128 1HB GLN 18 1HB GLN 18 13.952 0.016 -1.684 129 2HB GLN 18 2HB GLN 18 13.720 -1.666 -1.235 130 1HG GLN 18 1HG GLN 18 14.023 -0.848 -4.100 131 2HG GLN 18 2HG GLN 18 15.421 -1.109 -3.063 132 1HE2 GLN 18 1HE2 GLN 18 14.437 -2.529 -5.463 133 2HE2 GLN 18 2HE2 GLN 18 14.320 -4.189 -4.990 134 H ALA 19 H ALA 19 11.316 -2.264 -0.361 135 HA ALA 19 HA ALA 19 10.983 -4.735 -1.690 136 1HB ALA 19 1HB ALA 19 11.317 -4.583 0.728 137 2HB ALA 19 2HB ALA 19 9.855 -5.487 0.336 138 3HB ALA 19 3HB ALA 19 9.736 -3.819 0.900 139 H LEU 20 H LEU 20 8.770 -2.078 -1.026 140 HA LEU 20 HA LEU 20 6.375 -3.442 -1.749 141 1HB LEU 20 1HB LEU 20 6.390 -1.435 -0.342 142 2HB LEU 20 2HB LEU 20 7.057 -0.500 -1.665 143 HG LEU 20 HG LEU 20 4.972 -0.888 -2.955 144 1HD1 LEU 20 1HD1 LEU 20 4.289 -2.980 -1.908 145 2HD1 LEU 20 2HD1 LEU 20 3.013 -1.769 -1.808 146 3HD1 LEU 20 3HD1 LEU 20 3.997 -2.131 -0.391 147 1HD2 LEU 20 1HD2 LEU 20 4.562 0.324 -0.226 148 2HD2 LEU 20 2HD2 LEU 20 3.577 0.626 -1.656 149 3HD2 LEU 20 3HD2 LEU 20 5.261 1.142 -1.625 150 H ALA 21 H ALA 21 8.725 -1.449 -3.381 151 HA ALA 21 HA ALA 21 7.336 -1.048 -5.819 152 1HB ALA 21 1HB ALA 21 9.524 -0.381 -6.710 153 2HB ALA 21 2HB ALA 21 10.303 -1.004 -5.255 154 3HB ALA 21 3HB ALA 21 9.201 0.368 -5.148 155 H LYS 22 H LYS 22 9.917 -3.280 -4.884 156 HA LYS 22 HA LYS 22 10.145 -4.604 -7.335 157 1HB LYS 22 1HB LYS 22 11.844 -4.701 -5.571 158 2HB LYS 22 2HB LYS 22 10.751 -5.628 -4.554 159 1HG LYS 22 1HG LYS 22 10.776 -7.442 -6.221 160 2HG LYS 22 2HG LYS 22 11.930 -6.511 -7.181 161 1HD LYS 22 1HD LYS 22 13.519 -6.552 -5.336 162 2HD LYS 22 2HD LYS 22 12.364 -7.451 -4.350 163 1HE LYS 22 1HE LYS 22 12.422 -9.279 -6.002 164 2HE LYS 22 2HE LYS 22 13.637 -8.388 -6.918 165 1HZ LYS 22 1HZ LYS 22 14.621 -10.075 -5.474 166 2HZ LYS 22 2HZ LYS 22 13.950 -9.317 -4.113 167 3HZ LYS 22 3HZ LYS 22 15.127 -8.513 -5.035 168 H GLN 23 H GLN 23 8.091 -5.303 -4.530 169 HA GLN 23 HA GLN 23 7.296 -7.853 -5.568 170 1HB GLN 23 1HB GLN 23 6.348 -6.223 -3.225 171 2HB GLN 23 2HB GLN 23 5.623 -7.767 -3.661 172 1HG GLN 23 1HG GLN 23 7.864 -8.810 -3.465 173 2HG GLN 23 2HG GLN 23 8.488 -7.267 -2.892 174 1HE2 GLN 23 1HE2 GLN 23 5.299 -8.332 -2.035 175 2HE2 GLN 23 2HE2 GLN 23 5.650 -8.724 -0.390 176 H THR 24 H THR 24 6.278 -4.683 -6.224 177 HA THR 24 HA THR 24 3.846 -5.779 -7.486 178 HB THR 24 HB THR 24 3.084 -3.373 -7.624 179 HG1 THR 24 HG1 THR 24 5.015 -2.874 -5.598 180 1HG2 THR 24 1HG2 THR 24 2.201 -4.904 -5.929 181 2HG2 THR 24 2HG2 THR 24 2.348 -3.269 -5.288 182 3HG2 THR 24 3HG2 THR 24 3.540 -4.496 -4.857 183 H ASP 25 H ASP 25 6.898 -5.156 -8.110 184 HA ASP 25 HA ASP 25 8.234 -4.500 -9.809 185 1HB ASP 25 1HB ASP 25 6.819 -6.423 -10.799 186 2HB ASP 25 2HB ASP 25 6.005 -5.157 -11.716 187 H THR 26 H THR 26 6.976 -2.392 -8.641 188 HA THR 26 HA THR 26 6.227 -0.628 -10.865 189 HB THR 26 HB THR 26 5.557 0.944 -8.968 190 HG1 THR 26 HG1 THR 26 5.305 -1.282 -7.296 191 1HG2 THR 26 1HG2 THR 26 3.912 -0.300 -10.271 192 2HG2 THR 26 2HG2 THR 26 3.427 -0.211 -8.576 193 3HG2 THR 26 3HG2 THR 26 4.122 -1.700 -9.218 194 H GLN 27 H GLN 27 7.008 1.722 -10.430 195 HA GLN 27 HA GLN 27 9.856 1.589 -9.687 196 1HB GLN 27 1HB GLN 27 9.401 2.203 -12.047 197 2HB GLN 27 2HB GLN 27 8.458 3.575 -11.492 198 1HG GLN 27 1HG GLN 27 10.431 4.549 -10.465 199 2HG GLN 27 2HG GLN 27 11.391 3.157 -10.955 200 1HE2 GLN 27 1HE2 GLN 27 8.926 4.616 -12.972 201 2HE2 GLN 27 2HE2 GLN 27 10.012 5.250 -14.158 202 H LEU 28 H LEU 28 10.284 2.491 -7.753 203 HA LEU 28 HA LEU 28 8.458 4.605 -6.838 204 1HB LEU 28 1HB LEU 28 9.723 2.348 -5.414 205 2HB LEU 28 2HB LEU 28 9.693 3.876 -4.556 206 HG LEU 28 HG LEU 28 7.224 3.965 -4.890 207 1HD1 LEU 28 1HD1 LEU 28 7.584 1.149 -5.891 208 2HD1 LEU 28 2HD1 LEU 28 7.065 2.532 -6.852 209 3HD1 LEU 28 3HD1 LEU 28 6.044 1.938 -5.543 210 1HD2 LEU 28 1HD2 LEU 28 6.697 2.319 -3.183 211 2HD2 LEU 28 2HD2 LEU 28 8.206 3.152 -2.806 212 3HD2 LEU 28 3HD2 LEU 28 8.242 1.516 -3.464 213 H LEU 29 H LEU 29 9.233 6.544 -6.683 214 HA LEU 29 HA LEU 29 12.148 6.921 -6.768 215 1HB LEU 29 1HB LEU 29 10.632 7.809 -8.628 216 2HB LEU 29 2HB LEU 29 10.023 8.952 -7.450 217 HG LEU 29 HG LEU 29 12.949 8.798 -8.166 218 1HD1 LEU 29 1HD1 LEU 29 11.706 9.226 -10.212 219 2HD1 LEU 29 2HD1 LEU 29 12.547 10.683 -9.683 220 3HD1 LEU 29 3HD1 LEU 29 10.810 10.521 -9.417 221 1HD2 LEU 29 1HD2 LEU 29 11.247 10.966 -6.936 222 2HD2 LEU 29 2HD2 LEU 29 12.962 11.100 -7.322 223 3HD2 LEU 29 3HD2 LEU 29 12.423 9.961 -6.090 224 H TYR 30 H TYR 30 13.029 7.470 -4.920 225 HA TYR 30 HA TYR 30 11.822 9.504 -3.260 226 1HB TYR 30 1HB TYR 30 12.003 8.206 -1.187 227 2HB TYR 30 2HB TYR 30 10.890 7.425 -2.303 228 HD1 TYR 30 HD1 TYR 30 11.550 5.331 -3.445 229 HD2 TYR 30 HD2 TYR 30 14.044 7.152 -0.516 230 HE1 TYR 30 HE1 TYR 30 12.824 3.239 -3.231 231 HE2 TYR 30 HE2 TYR 30 15.323 5.065 -0.296 232 HH TYR 30 HH TYR 30 15.015 2.486 -2.504 233 H SER 31 H SER 31 13.371 10.550 -1.961 234 HA SER 31 HA SER 31 16.119 9.987 -2.797 235 1HB SER 31 1HB SER 31 15.240 12.243 -3.306 236 2HB SER 31 2HB SER 31 14.957 12.507 -1.588 237 HG SER 31 HG SER 31 16.941 13.130 -1.458 238 HA PRO 32 HA PRO 32 16.531 7.820 1.000 239 1HB PRO 32 1HB PRO 32 19.330 8.164 1.123 240 2HB PRO 32 2HB PRO 32 18.453 6.798 0.431 241 1HG PRO 32 1HG PRO 32 19.636 9.171 -0.915 242 2HG PRO 32 2HG PRO 32 19.459 7.510 -1.507 243 1HD PRO 32 1HD PRO 32 17.879 9.475 -2.398 244 2HD PRO 32 2HD PRO 32 17.245 7.835 -2.131 245 H GLU 33 H GLU 33 18.509 10.771 0.710 246 HA GLU 33 HA GLU 33 18.841 11.020 3.537 247 1HB GLU 33 1HB GLU 33 20.498 11.810 1.869 248 2HB GLU 33 2HB GLU 33 19.355 13.039 1.351 249 1HG GLU 33 1HG GLU 33 19.446 14.092 3.519 250 2HG GLU 33 2HG GLU 33 20.510 12.819 4.120 251 H ASP 34 H ASP 34 16.403 11.961 1.329 252 HA ASP 34 HA ASP 34 15.613 14.335 2.787 253 1HB ASP 34 1HB ASP 34 14.518 12.989 0.320 254 2HB ASP 34 2HB ASP 34 13.755 14.395 1.056 255 H ILE 35 H ILE 35 15.012 11.067 3.165 256 HA ILE 35 HA ILE 35 12.435 11.609 4.479 257 HB ILE 35 HB ILE 35 12.155 9.159 4.592 258 1HG1 ILE 35 1HG1 ILE 35 14.664 9.095 2.897 259 2HG1 ILE 35 2HG1 ILE 35 14.518 8.499 4.547 260 1HG2 ILE 35 1HG2 ILE 35 11.669 8.835 2.216 261 2HG2 ILE 35 2HG2 ILE 35 12.647 10.249 1.825 262 3HG2 ILE 35 3HG2 ILE 35 11.169 10.434 2.769 263 1HD1 ILE 35 1HD1 ILE 35 12.940 6.805 3.800 264 2HD1 ILE 35 2HD1 ILE 35 14.466 6.686 2.927 265 3HD1 ILE 35 3HD1 ILE 35 13.059 7.413 2.150 266 H GLY 36 H GLY 36 15.534 11.771 5.230 267 1HA GLY 36 1HA GLY 36 16.580 12.016 7.249 268 2HA GLY 36 2HA GLY 36 15.006 11.851 8.000 269 H GLY 37 H GLY 37 15.672 9.155 6.108 270 1HA GLY 37 1HA GLY 37 16.217 6.984 6.631 271 2HA GLY 37 2HA GLY 37 17.267 7.634 7.882 272 H LEU 38 H LEU 38 13.758 7.774 7.407 273 HA LEU 38 HA LEU 38 13.330 7.174 10.207 274 1HB LEU 38 1HB LEU 38 11.402 7.696 7.941 275 2HB LEU 38 2HB LEU 38 10.925 7.456 9.609 276 HG LEU 38 HG LEU 38 12.703 9.706 8.670 277 1HD1 LEU 38 1HD1 LEU 38 9.751 9.689 9.272 278 2HD1 LEU 38 2HD1 LEU 38 10.508 9.973 7.703 279 3HD1 LEU 38 3HD1 LEU 38 10.730 11.133 9.013 280 1HD2 LEU 38 1HD2 LEU 38 13.019 9.082 11.009 281 2HD2 LEU 38 2HD2 LEU 38 11.283 9.230 11.287 282 3HD2 LEU 38 3HD2 LEU 38 12.235 10.655 10.868 283 H ARG 39 H ARG 39 11.937 5.420 10.913 284 HA ARG 39 HA ARG 39 12.247 3.054 9.220 285 1HB ARG 39 1HB ARG 39 11.635 1.757 11.205 286 2HB ARG 39 2HB ARG 39 13.013 2.798 11.505 287 1HG ARG 39 1HG ARG 39 11.645 4.340 12.744 288 2HG ARG 39 2HG ARG 39 10.183 3.450 12.307 289 1HD ARG 39 1HD ARG 39 12.451 2.514 14.057 290 2HD ARG 39 2HD ARG 39 10.786 2.839 14.538 291 HE ARG 39 HE ARG 39 11.588 0.625 12.760 292 1HH1 ARG 39 1HH1 ARG 39 9.459 1.996 15.178 293 2HH1 ARG 39 2HH1 ARG 39 8.591 0.507 15.432 294 1HH2 ARG 39 1HH2 ARG 39 10.444 -1.309 13.069 295 2HH2 ARG 39 2HH2 ARG 39 9.157 -1.376 14.233 296 H SER 40 H SER 40 10.564 1.725 8.662 297 HA SER 40 HA SER 40 8.035 3.106 8.338 298 1HB SER 40 1HB SER 40 7.575 0.972 6.954 299 2HB SER 40 2HB SER 40 8.799 2.097 6.360 300 HG SER 40 HG SER 40 9.067 -0.489 7.119 301 H SER 41 H SER 41 6.013 2.133 8.831 302 HA SER 41 HA SER 41 6.020 0.494 11.221 303 1HB SER 41 1HB SER 41 3.669 1.577 9.638 304 2HB SER 41 2HB SER 41 3.626 0.930 11.279 305 HG SER 41 HG SER 41 3.688 3.272 11.126 306 H ALA 42 H ALA 42 5.726 -1.650 11.233 307 HA ALA 42 HA ALA 42 5.926 -3.178 8.912 308 1HB ALA 42 1HB ALA 42 6.577 -3.978 11.136 309 2HB ALA 42 2HB ALA 42 5.483 -5.105 10.333 310 3HB ALA 42 3HB ALA 42 4.879 -4.043 11.605 311 H LEU 43 H LEU 43 4.439 -2.960 7.345 312 HA LEU 43 HA LEU 43 1.644 -3.568 8.043 313 1HB LEU 43 1HB LEU 43 2.283 -1.236 7.074 314 2HB LEU 43 2HB LEU 43 2.482 -2.090 5.558 315 HG LEU 43 HG LEU 43 -0.093 -2.071 7.136 316 1HD1 LEU 43 1HD1 LEU 43 0.480 0.194 6.438 317 2HD1 LEU 43 2HD1 LEU 43 -0.885 -0.429 5.510 318 3HD1 LEU 43 3HD1 LEU 43 0.721 -0.369 4.784 319 1HD2 LEU 43 1HD2 LEU 43 0.498 -2.839 4.276 320 2HD2 LEU 43 2HD2 LEU 43 -1.091 -2.830 5.038 321 3HD2 LEU 43 3HD2 LEU 43 0.147 -3.960 5.591 322 H LYS 44 H LYS 44 1.832 -5.784 7.797 323 HA LYS 44 HA LYS 44 2.481 -6.667 5.065 324 1HB LYS 44 1HB LYS 44 3.267 -8.796 5.970 325 2HB LYS 44 2HB LYS 44 4.195 -7.450 6.603 326 1HG LYS 44 1HG LYS 44 2.987 -7.584 8.711 327 2HG LYS 44 2HG LYS 44 1.996 -8.899 8.071 328 1HD LYS 44 1HD LYS 44 4.105 -10.191 7.701 329 2HD LYS 44 2HD LYS 44 4.970 -8.920 8.563 330 1HE LYS 44 1HE LYS 44 2.721 -10.582 9.685 331 2HE LYS 44 2HE LYS 44 4.434 -10.839 10.002 332 1HZ LYS 44 1HZ LYS 44 3.496 -9.647 11.812 333 2HZ LYS 44 2HZ LYS 44 2.801 -8.483 10.792 334 3HZ LYS 44 3HZ LYS 44 4.488 -8.564 10.961 335 H GLY 45 H GLY 45 0.901 -7.551 3.990 336 1HA GLY 45 1HA GLY 45 -1.008 -9.349 4.892 337 2HA GLY 45 2HA GLY 45 -1.702 -7.744 5.099 338 H ARG 46 H ARG 46 -3.290 -8.511 3.495 339 HA ARG 46 HA ARG 46 -2.202 -8.459 0.762 340 1HB ARG 46 1HB ARG 46 -3.601 -10.452 1.491 341 2HB ARG 46 2HB ARG 46 -4.972 -9.352 1.559 342 1HG ARG 46 1HG ARG 46 -4.698 -8.846 -0.808 343 2HG ARG 46 2HG ARG 46 -3.308 -9.929 -0.883 344 1HD ARG 46 1HD ARG 46 -6.181 -10.648 -0.355 345 2HD ARG 46 2HD ARG 46 -5.180 -11.123 -1.726 346 HE ARG 46 HE ARG 46 -4.714 -12.048 1.035 347 1HH1 ARG 46 1HH1 ARG 46 -4.634 -12.572 -2.431 348 2HH1 ARG 46 2HH1 ARG 46 -4.257 -14.266 -2.287 349 1HH2 ARG 46 1HH2 ARG 46 -4.179 -14.241 1.229 350 2HH2 ARG 46 2HH2 ARG 46 -3.951 -15.207 -0.202 351 H HIS 47 H HIS 47 -2.110 -6.336 0.249 352 HA HIS 47 HA HIS 47 -4.618 -4.831 0.367 353 1HB HIS 47 1HB HIS 47 -1.980 -3.887 1.493 354 2HB HIS 47 2HB HIS 47 -3.314 -2.800 1.127 355 HD1 HIS 47 HD1 HIS 47 -5.559 -3.233 2.539 356 HD2 HIS 47 HD2 HIS 47 -2.126 -5.131 3.917 357 HE1 HIS 47 HE1 HIS 47 -6.077 -3.941 4.897 358 HE2 HIS 47 HE2 HIS 47 -3.924 -4.933 5.767 359 H ASP 48 H ASP 48 -4.866 -3.267 -1.143 360 HA ASP 48 HA ASP 48 -3.508 -3.488 -3.601 361 1HB ASP 48 1HB ASP 48 -5.700 -2.742 -3.783 362 2HB ASP 48 2HB ASP 48 -5.544 -1.629 -2.430 363 H LEU 49 H LEU 49 -2.200 -1.884 -4.696 364 HA LEU 49 HA LEU 49 0.018 -1.128 -3.175 365 1HB LEU 49 1HB LEU 49 0.124 -1.562 -5.577 366 2HB LEU 49 2HB LEU 49 -0.852 -0.142 -5.892 367 HG LEU 49 HG LEU 49 0.965 1.269 -4.945 368 1HD1 LEU 49 1HD1 LEU 49 2.011 -0.388 -3.506 369 2HD1 LEU 49 2HD1 LEU 49 3.181 0.289 -4.641 370 3HD1 LEU 49 3HD1 LEU 49 2.509 -1.318 -4.919 371 1HD2 LEU 49 1HD2 LEU 49 2.451 1.058 -6.872 372 2HD2 LEU 49 2HD2 LEU 49 0.756 0.932 -7.346 373 3HD2 LEU 49 3HD2 LEU 49 1.753 -0.520 -7.237 374 H GLN 50 H GLN 50 -2.401 1.006 -4.717 375 HA GLN 50 HA GLN 50 -1.402 3.388 -3.599 376 1HB GLN 50 1HB GLN 50 -2.900 3.335 -5.554 377 2HB GLN 50 2HB GLN 50 -4.217 2.789 -4.524 378 1HG GLN 50 1HG GLN 50 -4.129 4.873 -3.276 379 2HG GLN 50 2HG GLN 50 -2.775 5.421 -4.264 380 1HE2 GLN 50 1HE2 GLN 50 -3.889 7.220 -4.978 381 2HE2 GLN 50 2HE2 GLN 50 -5.168 7.109 -6.143 382 H SER 51 H SER 51 -3.824 1.096 -2.475 383 HA SER 51 HA SER 51 -4.803 2.573 -0.299 384 1HB SER 51 1HB SER 51 -5.689 0.370 -1.281 385 2HB SER 51 2HB SER 51 -4.458 -0.427 -0.305 386 HG SER 51 HG SER 51 -6.137 -0.405 1.039 387 H SER 52 H SER 52 -2.129 0.243 -0.518 388 HA SER 52 HA SER 52 -1.308 0.377 2.163 389 1HB SER 52 1HB SER 52 0.409 -0.138 -0.281 390 2HB SER 52 2HB SER 52 0.790 -0.594 1.380 391 HG SER 52 HG SER 52 -1.190 -1.628 -0.342 392 H LEU 53 H LEU 53 -0.316 2.252 -0.683 393 HA LEU 53 HA LEU 53 1.659 3.828 0.519 394 1HB LEU 53 1HB LEU 53 -0.252 4.523 -1.713 395 2HB LEU 53 2HB LEU 53 1.163 5.464 -1.283 396 HG LEU 53 HG LEU 53 1.254 2.603 -2.241 397 1HD1 LEU 53 1HD1 LEU 53 0.427 4.056 -3.999 398 2HD1 LEU 53 2HD1 LEU 53 2.080 3.551 -4.347 399 3HD1 LEU 53 3HD1 LEU 53 1.765 5.172 -3.730 400 1HD2 LEU 53 1HD2 LEU 53 3.641 3.049 -2.527 401 2HD2 LEU 53 2HD2 LEU 53 3.152 3.241 -0.845 402 3HD2 LEU 53 3HD2 LEU 53 3.425 4.663 -1.854 403 H ARG 54 H ARG 54 -1.841 4.193 0.423 404 HA ARG 54 HA ARG 54 -1.887 6.789 1.572 405 1HB ARG 54 1HB ARG 54 -3.990 4.638 1.370 406 2HB ARG 54 2HB ARG 54 -4.302 6.218 2.076 407 1HG ARG 54 1HG ARG 54 -3.683 7.274 -0.049 408 2HG ARG 54 2HG ARG 54 -3.414 5.679 -0.751 409 1HD ARG 54 1HD ARG 54 -5.755 5.109 -0.384 410 2HD ARG 54 2HD ARG 54 -6.032 6.683 0.363 411 HE ARG 54 HE ARG 54 -4.956 6.955 -2.259 412 1HH1 ARG 54 1HH1 ARG 54 -7.934 6.266 -0.529 413 2HH1 ARG 54 2HH1 ARG 54 -8.954 6.863 -1.808 414 1HH2 ARG 54 1HH2 ARG 54 -6.320 7.715 -3.939 415 2HH2 ARG 54 2HH2 ARG 54 -8.042 7.672 -3.731 416 H ILE 55 H ILE 55 -2.384 3.547 2.982 417 HA ILE 55 HA ILE 55 -2.870 4.549 5.598 418 HB ILE 55 HB ILE 55 -2.069 1.758 4.758 419 1HG1 ILE 55 1HG1 ILE 55 -4.110 2.498 3.637 420 2HG1 ILE 55 2HG1 ILE 55 -4.483 1.276 4.847 421 1HG2 ILE 55 1HG2 ILE 55 -3.093 1.049 6.874 422 2HG2 ILE 55 2HG2 ILE 55 -3.359 2.737 7.304 423 3HG2 ILE 55 3HG2 ILE 55 -1.717 2.120 7.139 424 1HD1 ILE 55 1HD1 ILE 55 -4.869 4.246 5.149 425 2HD1 ILE 55 2HD1 ILE 55 -5.224 3.031 6.379 426 3HD1 ILE 55 3HD1 ILE 55 -6.130 3.046 4.865 427 H LEU 56 H LEU 56 0.012 3.189 4.030 428 HA LEU 56 HA LEU 56 1.585 2.955 6.348 429 1HB LEU 56 1HB LEU 56 1.894 2.047 3.904 430 2HB LEU 56 2HB LEU 56 2.798 3.529 3.672 431 HG LEU 56 HG LEU 56 3.449 1.461 5.779 432 1HD1 LEU 56 1HD1 LEU 56 4.713 1.930 3.083 433 2HD1 LEU 56 2HD1 LEU 56 3.718 0.545 3.533 434 3HD1 LEU 56 3HD1 LEU 56 5.280 0.799 4.310 435 1HD2 LEU 56 1HD2 LEU 56 4.997 3.838 4.748 436 2HD2 LEU 56 2HD2 LEU 56 5.604 2.637 5.887 437 3HD2 LEU 56 3HD2 LEU 56 4.261 3.684 6.342 438 H LEU 57 H LEU 57 1.544 5.524 3.865 439 HA LEU 57 HA LEU 57 3.496 7.095 5.222 440 1HB LEU 57 1HB LEU 57 1.662 7.598 2.903 441 2HB LEU 57 2HB LEU 57 2.598 8.907 3.595 442 HG LEU 57 HG LEU 57 4.681 7.634 3.106 443 1HD1 LEU 57 1HD1 LEU 57 3.772 5.378 3.093 444 2HD1 LEU 57 2HD1 LEU 57 4.585 5.736 1.570 445 3HD1 LEU 57 3HD1 LEU 57 2.825 5.755 1.656 446 1HD2 LEU 57 1HD2 LEU 57 2.870 8.174 0.763 447 2HD2 LEU 57 2HD2 LEU 57 4.623 8.002 0.681 448 3HD2 LEU 57 3HD2 LEU 57 3.910 9.341 1.579 449 H GLN 58 H GLN 58 0.041 6.904 5.337 450 HA GLN 58 HA GLN 58 -0.761 9.307 6.382 451 1HB GLN 58 1HB GLN 58 -2.271 7.472 5.832 452 2HB GLN 58 2HB GLN 58 -1.660 6.538 7.186 453 1HG GLN 58 1HG GLN 58 -2.596 8.119 8.749 454 2HG GLN 58 2HG GLN 58 -3.127 9.153 7.422 455 1HE2 GLN 58 1HE2 GLN 58 -4.659 7.813 9.538 456 2HE2 GLN 58 2HE2 GLN 58 -5.835 6.839 8.718 457 H GLY 59 H GLY 59 0.426 10.403 7.847 458 1HA GLY 59 1HA GLY 59 0.355 10.757 10.286 459 2HA GLY 59 2HA GLY 59 0.840 9.077 10.454 460 H THR 60 H THR 60 2.658 9.661 8.013 461 HA THR 60 HA THR 60 4.922 10.449 9.673 462 HB THR 60 HB THR 60 6.321 9.654 7.802 463 HG1 THR 60 HG1 THR 60 3.836 8.932 6.586 464 1HG2 THR 60 1HG2 THR 60 4.174 7.699 8.640 465 2HG2 THR 60 2HG2 THR 60 5.637 8.082 9.545 466 3HG2 THR 60 3HG2 THR 60 5.756 7.273 7.981 467 H GLY 61 H GLY 61 2.815 11.976 7.545 468 1HA GLY 61 1HA GLY 61 2.882 14.126 6.725 469 2HA GLY 61 2HA GLY 61 4.523 14.273 7.335 470 H LEU 62 H LEU 62 4.091 11.521 5.361 471 HA LEU 62 HA LEU 62 5.555 12.870 3.219 472 1HB LEU 62 1HB LEU 62 5.015 9.928 3.652 473 2HB LEU 62 2HB LEU 62 6.059 10.609 2.420 474 HG LEU 62 HG LEU 62 6.532 10.774 5.399 475 1HD1 LEU 62 1HD1 LEU 62 7.869 9.108 3.271 476 2HD1 LEU 62 2HD1 LEU 62 6.835 8.514 4.570 477 3HD1 LEU 62 3HD1 LEU 62 8.397 9.241 4.947 478 1HD2 LEU 62 1HD2 LEU 62 7.431 12.708 4.231 479 2HD2 LEU 62 2HD2 LEU 62 8.240 11.654 3.073 480 3HD2 LEU 62 3HD2 LEU 62 8.735 11.650 4.766 481 H ARG 63 H ARG 63 4.909 12.669 1.025 482 HA ARG 63 HA ARG 63 2.061 11.994 0.674 483 1HB ARG 63 1HB ARG 63 3.588 14.384 -0.149 484 2HB ARG 63 2HB ARG 63 2.515 13.720 -1.371 485 1HG ARG 63 1HG ARG 63 1.409 15.460 -0.101 486 2HG ARG 63 2HG ARG 63 0.631 13.902 0.173 487 1HD ARG 63 1HD ARG 63 1.924 13.682 2.275 488 2HD ARG 63 2HD ARG 63 2.575 15.297 2.003 489 HE ARG 63 HE ARG 63 -0.072 15.743 1.933 490 1HH1 ARG 63 1HH1 ARG 63 1.963 14.029 4.194 491 2HH1 ARG 63 2HH1 ARG 63 0.951 14.352 5.561 492 1HH2 ARG 63 1HH2 ARG 63 -1.449 16.147 3.725 493 2HH2 ARG 63 2HH2 ARG 63 -0.980 15.572 5.305 494 H TYR 64 H TYR 64 1.526 10.685 -0.966 495 HA TYR 64 HA TYR 64 3.764 9.575 -2.505 496 1HB TYR 64 1HB TYR 64 2.520 7.578 -2.785 497 2HB TYR 64 2HB TYR 64 2.274 8.049 -1.108 498 HD1 TYR 64 HD1 TYR 64 0.077 9.051 -0.427 499 HD2 TYR 64 HD2 TYR 64 0.712 7.411 -4.300 500 HE1 TYR 64 HE1 TYR 64 -2.357 8.928 -0.771 501 HE2 TYR 64 HE2 TYR 64 -1.716 7.282 -4.655 502 HH TYR 64 HH TYR 64 -3.959 8.852 -2.614 503 H GLN 65 H GLN 65 3.664 9.344 -4.720 504 HA GLN 65 HA GLN 65 1.456 10.706 -6.104 505 1HB GLN 65 1HB GLN 65 4.405 10.916 -6.751 506 2HB GLN 65 2HB GLN 65 3.109 11.541 -7.761 507 1HG GLN 65 1HG GLN 65 3.470 12.419 -4.915 508 2HG GLN 65 2HG GLN 65 4.334 13.180 -6.247 509 1HE2 GLN 65 1HE2 GLN 65 1.046 11.977 -6.544 510 2HE2 GLN 65 2HE2 GLN 65 0.305 13.531 -6.710 511 H ILE 66 H ILE 66 0.426 9.187 -7.214 512 HA ILE 66 HA ILE 66 1.990 6.926 -8.250 513 HB ILE 66 HB ILE 66 0.252 6.165 -6.799 514 1HG1 ILE 66 1HG1 ILE 66 -0.596 5.731 -9.669 515 2HG1 ILE 66 2HG1 ILE 66 0.645 4.822 -8.812 516 1HG2 ILE 66 1HG2 ILE 66 -1.191 8.111 -6.817 517 2HG2 ILE 66 2HG2 ILE 66 -2.120 6.652 -7.150 518 3HG2 ILE 66 3HG2 ILE 66 -1.695 7.743 -8.467 519 1HD1 ILE 66 1HD1 ILE 66 -1.424 3.573 -8.933 520 2HD1 ILE 66 2HD1 ILE 66 -2.286 4.892 -8.139 521 3HD1 ILE 66 3HD1 ILE 66 -1.052 3.989 -7.259 522 H ASP 67 H ASP 67 2.705 7.439 -10.190 523 HA ASP 67 HA ASP 67 0.774 8.458 -12.173 524 1HB ASP 67 1HB ASP 67 3.771 8.917 -12.107 525 2HB ASP 67 2HB ASP 67 2.659 9.537 -13.321 526 H GLY 68 H GLY 68 0.187 6.771 -13.380 527 1HA GLY 68 1HA GLY 68 0.291 4.843 -14.634 528 2HA GLY 68 2HA GLY 68 1.954 5.295 -14.981 529 H ASN 69 H ASN 69 3.515 4.028 -14.237 530 HA ASN 69 HA ASN 69 2.845 2.085 -12.117 531 1HB ASN 69 1HB ASN 69 4.452 0.576 -13.058 532 2HB ASN 69 2HB ASN 69 3.458 1.156 -14.390 533 1HD2 ASN 69 1HD2 ASN 69 6.086 0.011 -14.534 534 2HD2 ASN 69 2HD2 ASN 69 7.117 1.216 -15.232 535 H THR 70 H THR 70 4.091 4.950 -12.293 536 HA THR 70 HA THR 70 6.518 4.383 -10.729 537 HB THR 70 HB THR 70 5.827 6.871 -12.312 538 HG1 THR 70 HG1 THR 70 6.412 4.777 -13.427 539 1HG2 THR 70 1HG2 THR 70 7.275 7.370 -10.404 540 2HG2 THR 70 2HG2 THR 70 8.180 7.493 -11.914 541 3HG2 THR 70 3HG2 THR 70 8.373 6.075 -10.883 542 H VAL 71 H VAL 71 6.630 5.063 -8.697 543 HA VAL 71 HA VAL 71 4.466 6.783 -7.672 544 HB VAL 71 HB VAL 71 5.779 4.519 -6.159 545 1HG1 VAL 71 1HG1 VAL 71 3.352 6.199 -5.536 546 2HG1 VAL 71 2HG1 VAL 71 4.928 6.312 -4.752 547 3HG1 VAL 71 3HG1 VAL 71 3.954 4.856 -4.563 548 1HG2 VAL 71 1HG2 VAL 71 3.644 3.307 -6.445 549 2HG2 VAL 71 2HG2 VAL 71 4.495 3.569 -7.970 550 3HG2 VAL 71 3HG2 VAL 71 3.103 4.572 -7.552 551 H THR 72 H THR 72 5.214 8.591 -6.774 552 HA THR 72 HA THR 72 8.054 8.687 -6.014 553 HB THR 72 HB THR 72 6.202 11.010 -6.594 554 HG1 THR 72 HG1 THR 72 6.607 9.763 -8.483 555 1HG2 THR 72 1HG2 THR 72 8.101 11.549 -5.121 556 2HG2 THR 72 2HG2 THR 72 8.251 12.329 -6.696 557 3HG2 THR 72 3HG2 THR 72 9.211 10.895 -6.325 558 H VAL 73 H VAL 73 8.560 8.819 -3.939 559 HA VAL 73 HA VAL 73 6.458 9.497 -2.001 560 HB VAL 73 HB VAL 73 9.172 8.264 -1.463 561 1HG1 VAL 73 1HG1 VAL 73 6.731 8.585 0.287 562 2HG1 VAL 73 2HG1 VAL 73 8.273 9.424 0.467 563 3HG1 VAL 73 3HG1 VAL 73 8.182 7.681 0.721 564 1HG2 VAL 73 1HG2 VAL 73 7.809 6.762 -2.820 565 2HG2 VAL 73 2HG2 VAL 73 6.475 6.922 -1.677 566 3HG2 VAL 73 3HG2 VAL 73 7.976 6.145 -1.177 567 H THR 74 H THR 74 6.443 11.681 -1.964 568 HA THR 74 HA THR 74 9.012 13.066 -1.619 569 HB THR 74 HB THR 74 7.699 13.752 -3.591 570 HG1 THR 74 HG1 THR 74 9.034 15.305 -2.575 571 1HG2 THR 74 1HG2 THR 74 5.645 14.615 -1.556 572 2HG2 THR 74 2HG2 THR 74 5.448 13.370 -2.788 573 3HG2 THR 74 3HG2 THR 74 5.622 15.059 -3.263 574 H ALA 75 H ALA 75 9.231 14.657 -0.014 575 HA ALA 75 HA ALA 75 7.397 14.313 2.227 576 1HB ALA 75 1HB ALA 75 10.215 15.388 2.200 577 2HB ALA 75 2HB ALA 75 9.733 13.762 2.684 578 3HB ALA 75 3HB ALA 75 9.216 15.155 3.635 579 H SER 76 H SER 76 5.840 15.818 2.195 580 HA SER 76 HA SER 76 6.325 18.483 1.222 581 1HB SER 76 1HB SER 76 3.924 18.812 2.042 582 2HB SER 76 2HB SER 76 4.164 17.606 0.777 583 HG SER 76 HG SER 76 3.490 17.275 3.470 584 H ALA 77 H ALA 77 6.195 16.842 4.280 585 HA ALA 77 HA ALA 77 6.269 19.330 5.788 586 1HB ALA 77 1HB ALA 77 6.079 17.926 7.759 587 2HB ALA 77 2HB ALA 77 6.300 16.478 6.778 588 3HB ALA 77 3HB ALA 77 4.854 17.467 6.574 589 H ALA 78 H ALA 78 8.315 20.052 5.004 590 HA ALA 78 HA ALA 78 10.681 18.525 5.646 591 1HB ALA 78 1HB ALA 78 10.388 21.367 4.677 592 2HB ALA 78 2HB ALA 78 10.646 19.948 3.663 593 3HB ALA 78 3HB ALA 78 11.900 20.468 4.790 594 H ALA 79 H ALA 79 9.827 18.389 7.932 595 HA ALA 79 HA ALA 79 9.857 18.935 10.134 596 1HB ALA 79 1HB ALA 79 12.141 20.730 9.308 597 2HB ALA 79 2HB ALA 79 12.274 19.022 9.728 598 3HB ALA 79 3HB ALA 79 11.778 20.193 10.951 599 H LYS 80 H LYS 80 10.609 21.547 11.258 600 HA LYS 80 HA LYS 80 8.384 23.163 10.211 601 1HB LYS 80 1HB LYS 80 8.086 22.378 12.567 602 2HB LYS 80 2HB LYS 80 9.535 23.273 13.006 603 1HG LYS 80 1HG LYS 80 8.496 25.356 12.439 604 2HG LYS 80 2HG LYS 80 7.082 24.525 11.789 605 1HD LYS 80 1HD LYS 80 6.643 23.608 14.056 606 2HD LYS 80 2HD LYS 80 7.989 24.577 14.666 607 1HE LYS 80 1HE LYS 80 5.885 25.711 15.077 608 2HE LYS 80 2HE LYS 80 6.844 26.614 13.906 609 1HZ LYS 80 1HZ LYS 80 4.508 26.469 13.256 610 2HZ LYS 80 2HZ LYS 80 4.605 24.775 13.238 611 3HZ LYS 80 3HZ LYS 80 5.505 25.684 12.126 612 H ASP 81 H ASP 81 11.376 23.639 12.084 613 HA ASP 81 HA ASP 81 13.089 25.104 11.885 614 1HB ASP 81 1HB ASP 81 12.388 24.647 8.989 615 2HB ASP 81 2HB ASP 81 13.730 25.683 9.461 616 H GLY 82 H GLY 82 11.206 26.424 12.899 617 1HA GLY 82 1HA GLY 82 11.518 29.084 12.278 618 2HA GLY 82 2HA GLY 82 10.104 28.555 11.370 Start of MODEL 12 1 1H SER 1 1H SER 1 -7.881 -2.332 -10.838 2 2H SER 1 2H SER 1 -7.186 -3.842 -11.180 3 3H SER 1 3H SER 1 -6.471 -2.815 -10.041 4 HA SER 1 HA SER 1 -8.162 -3.118 -8.494 5 1HB SER 1 1HB SER 1 -9.683 -4.571 -10.672 6 2HB SER 1 2HB SER 1 -10.248 -4.272 -9.030 7 HG SER 1 HG SER 1 -10.721 -2.746 -11.013 8 H GLN 2 H GLN 2 -6.161 -4.275 -7.932 9 HA GLN 2 HA GLN 2 -6.634 -7.133 -7.743 10 1HB GLN 2 1HB GLN 2 -5.441 -6.951 -9.868 11 2HB GLN 2 2HB GLN 2 -4.176 -6.005 -9.098 12 1HG GLN 2 1HG GLN 2 -3.534 -7.919 -7.750 13 2HG GLN 2 2HG GLN 2 -4.842 -8.870 -8.451 14 1HE2 GLN 2 1HE2 GLN 2 -1.931 -9.281 -8.456 15 2HE2 GLN 2 2HE2 GLN 2 -1.483 -9.436 -10.121 16 H GLU 3 H GLU 3 -5.629 -8.066 -5.977 17 HA GLU 3 HA GLU 3 -4.174 -6.193 -4.234 18 1HB GLU 3 1HB GLU 3 -5.664 -8.738 -3.563 19 2HB GLU 3 2HB GLU 3 -4.727 -7.801 -2.408 20 1HG GLU 3 1HG GLU 3 -6.217 -5.894 -2.757 21 2HG GLU 3 2HG GLU 3 -7.158 -6.851 -3.902 22 H TRP 4 H TRP 4 -2.368 -7.057 -3.034 23 HA TRP 4 HA TRP 4 -1.076 -9.354 -4.337 24 1HB TRP 4 1HB TRP 4 0.275 -6.752 -3.572 25 2HB TRP 4 2HB TRP 4 1.080 -8.169 -4.228 26 HD1 TRP 4 HD1 TRP 4 0.766 -8.661 -6.845 27 HE1 TRP 4 HE1 TRP 4 0.062 -7.135 -8.800 28 HE3 TRP 4 HE3 TRP 4 -1.240 -4.793 -4.170 29 HZ2 TRP 4 HZ2 TRP 4 -1.180 -4.630 -9.155 30 HZ3 TRP 4 HZ3 TRP 4 -2.165 -2.869 -5.393 31 HH2 TRP 4 HH2 TRP 4 -2.134 -2.791 -7.834 32 H THR 5 H THR 5 0.462 -10.463 -2.986 33 HA THR 5 HA THR 5 0.012 -10.134 -0.144 34 HB THR 5 HB THR 5 1.680 -12.094 -0.092 35 HG1 THR 5 HG1 THR 5 2.498 -11.837 -2.198 36 1HG2 THR 5 1HG2 THR 5 -0.046 -13.729 -0.706 37 2HG2 THR 5 2HG2 THR 5 -0.959 -12.448 -1.506 38 3HG2 THR 5 3HG2 THR 5 -0.720 -12.400 0.241 39 H LEU 6 H LEU 6 1.051 -8.366 0.567 40 HA LEU 6 HA LEU 6 3.769 -7.833 -0.438 41 1HB LEU 6 1HB LEU 6 1.755 -5.898 0.709 42 2HB LEU 6 2HB LEU 6 3.335 -5.484 0.075 43 HG LEU 6 HG LEU 6 1.064 -6.625 -1.558 44 1HD1 LEU 6 1HD1 LEU 6 2.144 -3.815 -1.392 45 2HD1 LEU 6 2HD1 LEU 6 0.578 -4.366 -0.793 46 3HD1 LEU 6 3HD1 LEU 6 0.917 -4.384 -2.525 47 1HD2 LEU 6 1HD2 LEU 6 2.471 -6.044 -3.473 48 2HD2 LEU 6 2HD2 LEU 6 3.258 -7.229 -2.430 49 3HD2 LEU 6 3HD2 LEU 6 3.755 -5.537 -2.376 50 H ASP 7 H ASP 7 5.225 -8.481 1.007 51 HA ASP 7 HA ASP 7 4.688 -8.068 3.849 52 1HB ASP 7 1HB ASP 7 6.894 -9.552 2.406 53 2HB ASP 7 2HB ASP 7 6.887 -9.297 4.148 54 H ILE 8 H ILE 8 4.974 -5.988 4.347 55 HA ILE 8 HA ILE 8 7.290 -4.570 3.241 56 HB ILE 8 HB ILE 8 4.814 -3.510 4.619 57 1HG1 ILE 8 1HG1 ILE 8 4.364 -4.337 2.368 58 2HG1 ILE 8 2HG1 ILE 8 4.277 -2.578 2.397 59 1HG2 ILE 8 1HG2 ILE 8 6.719 -2.089 5.112 60 2HG2 ILE 8 2HG2 ILE 8 5.621 -1.281 3.993 61 3HG2 ILE 8 3HG2 ILE 8 7.117 -1.998 3.396 62 1HD1 ILE 8 1HD1 ILE 8 5.398 -3.350 0.401 63 2HD1 ILE 8 2HD1 ILE 8 6.577 -4.228 1.375 64 3HD1 ILE 8 3HD1 ILE 8 6.525 -2.467 1.431 65 HA PRO 9 HA PRO 9 9.334 -5.258 7.160 66 1HB PRO 9 1HB PRO 9 11.144 -3.188 6.022 67 2HB PRO 9 2HB PRO 9 11.523 -4.802 6.642 68 1HG PRO 9 1HG PRO 9 11.545 -4.327 4.030 69 2HG PRO 9 2HG PRO 9 10.887 -5.850 4.666 70 1HD PRO 9 1HD PRO 9 9.432 -3.410 3.707 71 2HD PRO 9 2HD PRO 9 9.068 -5.125 3.416 72 H ALA 10 H ALA 10 9.567 -4.194 9.070 73 HA ALA 10 HA ALA 10 8.426 -1.491 9.247 74 1HB ALA 10 1HB ALA 10 9.020 -3.484 11.438 75 2HB ALA 10 2HB ALA 10 7.445 -3.226 10.689 76 3HB ALA 10 3HB ALA 10 8.194 -1.938 11.632 77 H GLN 11 H GLN 11 11.058 -2.049 8.231 78 HA GLN 11 HA GLN 11 12.835 -0.943 10.272 79 1HB GLN 11 1HB GLN 11 13.465 -1.968 7.489 80 2HB GLN 11 2HB GLN 11 14.640 -1.523 8.721 81 1HG GLN 11 1HG GLN 11 13.965 -3.349 10.114 82 2HG GLN 11 2HG GLN 11 12.630 -3.739 9.030 83 1HE2 GLN 11 1HE2 GLN 11 14.249 -3.268 6.634 84 2HE2 GLN 11 2HE2 GLN 11 15.285 -4.641 6.492 85 H SER 12 H SER 12 14.597 0.351 8.400 86 HA SER 12 HA SER 12 13.512 2.894 8.150 87 1HB SER 12 1HB SER 12 15.673 1.620 6.456 88 2HB SER 12 2HB SER 12 15.372 3.351 6.603 89 HG SER 12 HG SER 12 17.034 2.733 7.991 90 H MET 13 H MET 13 12.483 3.991 6.563 91 HA MET 13 HA MET 13 10.668 2.828 4.869 92 1HB MET 13 1HB MET 13 10.840 5.250 5.566 93 2HB MET 13 2HB MET 13 12.054 5.450 4.313 94 1HG MET 13 1HG MET 13 9.931 6.216 3.509 95 2HG MET 13 2HG MET 13 10.403 4.763 2.629 96 1HE MET 13 1HE MET 13 8.998 4.903 6.309 97 2HE MET 13 2HE MET 13 7.264 4.773 6.019 98 3HE MET 13 3HE MET 13 8.139 6.215 5.499 99 H ASN 14 H ASN 14 14.048 3.460 4.284 100 HA ASN 14 HA ASN 14 14.239 3.193 1.534 101 1HB ASN 14 1HB ASN 14 16.163 2.198 3.651 102 2HB ASN 14 2HB ASN 14 16.543 2.343 1.941 103 1HD2 ASN 14 1HD2 ASN 14 18.206 3.773 2.325 104 2HD2 ASN 14 2HD2 ASN 14 17.921 5.415 2.794 105 H SER 15 H SER 15 13.909 0.705 4.014 106 HA SER 15 HA SER 15 14.456 -1.460 2.192 107 1HB SER 15 1HB SER 15 14.955 -1.421 4.710 108 2HB SER 15 2HB SER 15 13.225 -1.668 4.953 109 HG SER 15 HG SER 15 15.106 -3.380 3.703 110 H ALA 16 H ALA 16 11.659 -0.058 3.822 111 HA ALA 16 HA ALA 16 9.715 -1.867 2.965 112 1HB ALA 16 1HB ALA 16 9.412 1.068 3.580 113 2HB ALA 16 2HB ALA 16 9.347 -0.250 4.749 114 3HB ALA 16 3HB ALA 16 8.104 -0.111 3.506 115 H LEU 17 H LEU 17 10.744 1.220 1.513 116 HA LEU 17 HA LEU 17 8.875 1.234 -0.574 117 1HB LEU 17 1HB LEU 17 11.628 2.458 -0.443 118 2HB LEU 17 2HB LEU 17 10.449 2.809 -1.693 119 HG LEU 17 HG LEU 17 10.123 3.395 1.254 120 1HD1 LEU 17 1HD1 LEU 17 10.289 5.727 0.599 121 2HD1 LEU 17 2HD1 LEU 17 10.548 5.254 -1.081 122 3HD1 LEU 17 3HD1 LEU 17 11.750 4.849 0.146 123 1HD2 LEU 17 1HD2 LEU 17 7.990 2.862 0.200 124 2HD2 LEU 17 2HD2 LEU 17 8.318 4.033 -1.076 125 3HD2 LEU 17 3HD2 LEU 17 8.091 4.582 0.583 126 H GLN 18 H GLN 18 12.239 0.047 -0.551 127 HA GLN 18 HA GLN 18 12.232 -0.762 -3.251 128 1HB GLN 18 1HB GLN 18 13.931 -1.674 -0.929 129 2HB GLN 18 2HB GLN 18 14.223 -2.143 -2.601 130 1HG GLN 18 1HG GLN 18 14.224 0.677 -1.540 131 2HG GLN 18 2HG GLN 18 15.653 -0.290 -1.911 132 1HE2 GLN 18 1HE2 GLN 18 12.939 1.444 -3.241 133 2HE2 GLN 18 2HE2 GLN 18 13.523 1.524 -4.869 134 H ALA 19 H ALA 19 11.307 -2.445 -0.299 135 HA ALA 19 HA ALA 19 10.972 -5.000 -1.459 136 1HB ALA 19 1HB ALA 19 9.590 -5.505 0.496 137 2HB ALA 19 2HB ALA 19 9.543 -3.792 0.909 138 3HB ALA 19 3HB ALA 19 11.071 -4.667 0.958 139 H LEU 20 H LEU 20 8.836 -2.203 -1.129 140 HA LEU 20 HA LEU 20 6.479 -3.495 -2.060 141 1HB LEU 20 1HB LEU 20 6.481 -1.420 -0.719 142 2HB LEU 20 2HB LEU 20 7.224 -0.567 -2.061 143 HG LEU 20 HG LEU 20 5.208 -1.025 -3.430 144 1HD1 LEU 20 1HD1 LEU 20 3.175 -1.814 -2.322 145 2HD1 LEU 20 2HD1 LEU 20 4.094 -2.106 -0.845 146 3HD1 LEU 20 3HD1 LEU 20 4.441 -3.041 -2.299 147 1HD2 LEU 20 1HD2 LEU 20 4.664 0.369 -0.812 148 2HD2 LEU 20 2HD2 LEU 20 3.774 0.592 -2.319 149 3HD2 LEU 20 3HD2 LEU 20 5.464 1.085 -2.212 150 H ALA 21 H ALA 21 9.107 -1.742 -3.551 151 HA ALA 21 HA ALA 21 7.933 -1.309 -6.101 152 1HB ALA 21 1HB ALA 21 9.881 -0.045 -5.321 153 2HB ALA 21 2HB ALA 21 10.208 -0.844 -6.858 154 3HB ALA 21 3HB ALA 21 10.852 -1.516 -5.361 155 H LYS 22 H LYS 22 10.107 -3.771 -4.827 156 HA LYS 22 HA LYS 22 10.334 -5.352 -7.130 157 1HB LYS 22 1HB LYS 22 11.864 -5.634 -5.305 158 2HB LYS 22 2HB LYS 22 10.558 -6.016 -4.194 159 1HG LYS 22 1HG LYS 22 10.141 -8.100 -5.396 160 2HG LYS 22 2HG LYS 22 11.449 -7.713 -6.518 161 1HD LYS 22 1HD LYS 22 12.183 -9.283 -4.780 162 2HD LYS 22 2HD LYS 22 13.056 -7.753 -4.689 163 1HE LYS 22 1HE LYS 22 11.535 -7.028 -2.886 164 2HE LYS 22 2HE LYS 22 10.735 -8.598 -2.953 165 1HZ LYS 22 1HZ LYS 22 12.760 -9.666 -2.281 166 2HZ LYS 22 2HZ LYS 22 12.410 -8.428 -1.173 167 3HZ LYS 22 3HZ LYS 22 13.615 -8.201 -2.340 168 H GLN 23 H GLN 23 7.947 -5.337 -4.538 169 HA GLN 23 HA GLN 23 6.826 -7.857 -5.345 170 1HB GLN 23 1HB GLN 23 6.107 -5.853 -3.226 171 2HB GLN 23 2HB GLN 23 5.113 -7.268 -3.545 172 1HG GLN 23 1HG GLN 23 6.891 -8.744 -2.964 173 2HG GLN 23 2HG GLN 23 8.042 -7.412 -2.877 174 1HE2 GLN 23 1HE2 GLN 23 6.202 -5.638 -1.514 175 2HE2 GLN 23 2HE2 GLN 23 6.093 -6.208 0.112 176 H THR 24 H THR 24 6.157 -4.542 -6.165 177 HA THR 24 HA THR 24 3.660 -5.471 -7.426 178 HB THR 24 HB THR 24 2.943 -3.053 -7.404 179 HG1 THR 24 HG1 THR 24 5.063 -2.800 -5.499 180 1HG2 THR 24 1HG2 THR 24 2.246 -3.088 -5.053 181 2HG2 THR 24 2HG2 THR 24 3.415 -4.368 -4.724 182 3HG2 THR 24 3HG2 THR 24 2.052 -4.672 -5.803 183 H ASP 25 H ASP 25 6.677 -5.004 -8.221 184 HA ASP 25 HA ASP 25 7.901 -4.355 -10.017 185 1HB ASP 25 1HB ASP 25 6.309 -6.084 -10.989 186 2HB ASP 25 2HB ASP 25 5.366 -4.734 -11.617 187 H THR 26 H THR 26 7.145 -2.193 -8.632 188 HA THR 26 HA THR 26 6.220 -0.253 -10.642 189 HB THR 26 HB THR 26 5.747 1.182 -8.565 190 HG1 THR 26 HG1 THR 26 5.294 -1.069 -7.057 191 1HG2 THR 26 1HG2 THR 26 3.970 0.213 -9.915 192 2HG2 THR 26 2HG2 THR 26 3.559 0.104 -8.204 193 3HG2 THR 26 3HG2 THR 26 4.135 -1.323 -9.066 194 H GLN 27 H GLN 27 7.163 1.919 -10.482 195 HA GLN 27 HA GLN 27 9.979 1.808 -9.636 196 1HB GLN 27 1HB GLN 27 9.664 2.308 -12.009 197 2HB GLN 27 2HB GLN 27 8.609 3.654 -11.605 198 1HG GLN 27 1HG GLN 27 10.837 4.421 -12.218 199 2HG GLN 27 2HG GLN 27 10.462 4.814 -10.540 200 1HE2 GLN 27 1HE2 GLN 27 12.443 2.958 -12.679 201 2HE2 GLN 27 2HE2 GLN 27 13.550 2.373 -11.477 202 H LEU 28 H LEU 28 10.592 2.982 -7.945 203 HA LEU 28 HA LEU 28 8.701 4.989 -6.932 204 1HB LEU 28 1HB LEU 28 10.346 2.952 -5.478 205 2HB LEU 28 2HB LEU 28 9.893 4.442 -4.677 206 HG LEU 28 HG LEU 28 7.490 3.876 -5.173 207 1HD1 LEU 28 1HD1 LEU 28 8.662 1.196 -5.891 208 2HD1 LEU 28 2HD1 LEU 28 7.834 2.302 -6.988 209 3HD1 LEU 28 3HD1 LEU 28 6.947 1.548 -5.663 210 1HD2 LEU 28 1HD2 LEU 28 7.323 2.224 -3.366 211 2HD2 LEU 28 2HD2 LEU 28 8.420 3.548 -2.973 212 3HD2 LEU 28 3HD2 LEU 28 9.065 1.977 -3.451 213 H LEU 29 H LEU 29 9.402 6.960 -6.854 214 HA LEU 29 HA LEU 29 12.291 7.484 -6.954 215 1HB LEU 29 1HB LEU 29 9.918 9.179 -7.750 216 2HB LEU 29 2HB LEU 29 11.572 9.741 -7.761 217 HG LEU 29 HG LEU 29 10.445 7.527 -9.471 218 1HD1 LEU 29 1HD1 LEU 29 9.709 9.736 -10.167 219 2HD1 LEU 29 2HD1 LEU 29 10.863 9.068 -11.322 220 3HD1 LEU 29 3HD1 LEU 29 11.378 10.307 -10.174 221 1HD2 LEU 29 1HD2 LEU 29 13.220 8.710 -9.414 222 2HD2 LEU 29 2HD2 LEU 29 12.625 7.494 -10.549 223 3HD2 LEU 29 3HD2 LEU 29 12.767 7.105 -8.834 224 H TYR 30 H TYR 30 13.144 8.112 -5.074 225 HA TYR 30 HA TYR 30 11.604 9.785 -3.267 226 1HB TYR 30 1HB TYR 30 11.950 8.289 -1.340 227 2HB TYR 30 2HB TYR 30 10.953 7.533 -2.576 228 HD1 TYR 30 HD1 TYR 30 11.888 5.723 -3.982 229 HD2 TYR 30 HD2 TYR 30 14.076 7.376 -0.730 230 HE1 TYR 30 HE1 TYR 30 13.393 3.782 -4.016 231 HE2 TYR 30 HE2 TYR 30 15.588 5.438 -0.752 232 HH TYR 30 HH TYR 30 15.666 3.198 -3.323 233 H SER 31 H SER 31 12.840 11.007 -1.918 234 HA SER 31 HA SER 31 15.745 10.810 -2.278 235 1HB SER 31 1HB SER 31 14.182 13.124 -1.112 236 2HB SER 31 2HB SER 31 15.846 13.135 -1.696 237 HG SER 31 HG SER 31 13.629 13.653 -3.054 238 HA PRO 32 HA PRO 32 15.862 8.887 1.768 239 1HB PRO 32 1HB PRO 32 18.696 9.783 1.550 240 2HB PRO 32 2HB PRO 32 18.046 8.188 1.939 241 1HG PRO 32 1HG PRO 32 19.077 8.673 -0.459 242 2HG PRO 32 2HG PRO 32 17.624 7.671 -0.282 243 1HD PRO 32 1HD PRO 32 17.877 10.505 -1.189 244 2HD PRO 32 2HD PRO 32 16.784 9.230 -1.764 245 H GLU 33 H GLU 33 17.347 12.045 1.116 246 HA GLU 33 HA GLU 33 17.460 12.839 3.864 247 1HB GLU 33 1HB GLU 33 18.864 13.796 2.014 248 2HB GLU 33 2HB GLU 33 17.423 14.598 1.408 249 1HG GLU 33 1HG GLU 33 18.569 16.218 2.643 250 2HG GLU 33 2HG GLU 33 17.242 15.690 3.681 251 H ASP 34 H ASP 34 15.030 12.808 1.427 252 HA ASP 34 HA ASP 34 13.545 15.036 2.584 253 1HB ASP 34 1HB ASP 34 14.018 14.797 0.105 254 2HB ASP 34 2HB ASP 34 12.899 13.443 0.102 255 H ILE 35 H ILE 35 13.759 11.788 3.044 256 HA ILE 35 HA ILE 35 10.921 11.545 3.801 257 HB ILE 35 HB ILE 35 11.280 9.114 3.913 258 1HG1 ILE 35 1HG1 ILE 35 14.020 9.731 2.778 259 2HG1 ILE 35 2HG1 ILE 35 13.703 9.154 4.412 260 1HG2 ILE 35 1HG2 ILE 35 10.420 10.110 1.865 261 2HG2 ILE 35 2HG2 ILE 35 11.432 8.712 1.500 262 3HG2 ILE 35 3HG2 ILE 35 12.064 10.344 1.273 263 1HD1 ILE 35 1HD1 ILE 35 13.144 7.662 1.861 264 2HD1 ILE 35 2HD1 ILE 35 12.793 7.078 3.487 265 3HD1 ILE 35 3HD1 ILE 35 14.461 7.352 2.990 266 H GLY 36 H GLY 36 13.991 12.095 5.018 267 1HA GLY 36 1HA GLY 36 14.583 12.613 7.176 268 2HA GLY 36 2HA GLY 36 12.942 12.241 7.665 269 H GLY 37 H GLY 37 14.385 9.662 6.001 270 1HA GLY 37 1HA GLY 37 15.146 7.605 6.682 271 2HA GLY 37 2HA GLY 37 15.901 8.442 8.028 272 H LEU 38 H LEU 38 12.469 8.198 7.258 273 HA LEU 38 HA LEU 38 11.860 7.488 9.982 274 1HB LEU 38 1HB LEU 38 10.078 7.754 7.555 275 2HB LEU 38 2HB LEU 38 9.516 7.555 9.202 276 HG LEU 38 HG LEU 38 11.149 9.912 8.259 277 1HD1 LEU 38 1HD1 LEU 38 9.056 10.000 7.112 278 2HD1 LEU 38 2HD1 LEU 38 8.989 11.147 8.452 279 3HD1 LEU 38 3HD1 LEU 38 8.172 9.589 8.584 280 1HD2 LEU 38 1HD2 LEU 38 9.610 9.397 10.799 281 2HD2 LEU 38 2HD2 LEU 38 10.381 10.921 10.364 282 3HD2 LEU 38 3HD2 LEU 38 11.365 9.482 10.635 283 H ARG 39 H ARG 39 10.530 5.625 10.554 284 HA ARG 39 HA ARG 39 11.087 3.310 8.813 285 1HB ARG 39 1HB ARG 39 10.822 1.884 10.774 286 2HB ARG 39 2HB ARG 39 12.067 3.083 11.051 287 1HG ARG 39 1HG ARG 39 10.535 4.400 12.400 288 2HG ARG 39 2HG ARG 39 9.240 3.247 12.069 289 1HD ARG 39 1HD ARG 39 11.805 2.695 13.561 290 2HD ARG 39 2HD ARG 39 10.195 2.837 14.262 291 HE ARG 39 HE ARG 39 10.611 0.754 12.256 292 1HH1 ARG 39 1HH1 ARG 39 10.224 1.611 15.630 293 2HH1 ARG 39 2HH1 ARG 39 9.892 -0.013 16.141 294 1HH2 ARG 39 1HH2 ARG 39 10.201 -1.384 12.923 295 2HH2 ARG 39 2HH2 ARG 39 9.893 -1.725 14.602 296 H SER 40 H SER 40 9.464 1.842 8.372 297 HA SER 40 HA SER 40 6.778 2.938 8.482 298 1HB SER 40 1HB SER 40 6.411 0.746 7.070 299 2HB SER 40 2HB SER 40 7.224 2.136 6.347 300 HG SER 40 HG SER 40 8.194 -0.357 6.887 301 H SER 41 H SER 41 4.987 1.635 9.192 302 HA SER 41 HA SER 41 5.605 -0.138 11.406 303 1HB SER 41 1HB SER 41 3.770 1.596 11.518 304 2HB SER 41 2HB SER 41 2.886 0.656 10.318 305 HG SER 41 HG SER 41 2.396 0.292 12.641 306 H ALA 42 H ALA 42 4.928 -2.312 11.500 307 HA ALA 42 HA ALA 42 5.509 -3.816 9.239 308 1HB ALA 42 1HB ALA 42 3.958 -4.686 11.674 309 2HB ALA 42 2HB ALA 42 5.714 -4.675 11.515 310 3HB ALA 42 3HB ALA 42 4.745 -5.751 10.511 311 H LEU 43 H LEU 43 4.357 -3.555 7.418 312 HA LEU 43 HA LEU 43 1.463 -4.109 7.554 313 1HB LEU 43 1HB LEU 43 2.186 -1.727 6.914 314 2HB LEU 43 2HB LEU 43 2.805 -2.430 5.436 315 HG LEU 43 HG LEU 43 0.436 -3.320 5.053 316 1HD1 LEU 43 1HD1 LEU 43 -1.348 -2.091 6.150 317 2HD1 LEU 43 2HD1 LEU 43 -0.166 -1.223 7.130 318 3HD1 LEU 43 3HD1 LEU 43 -0.372 -2.964 7.331 319 1HD2 LEU 43 1HD2 LEU 43 -0.309 -1.170 4.121 320 2HD2 LEU 43 2HD2 LEU 43 1.380 -1.513 3.747 321 3HD2 LEU 43 3HD2 LEU 43 0.975 -0.354 5.013 322 H LYS 44 H LYS 44 1.933 -6.353 7.241 323 HA LYS 44 HA LYS 44 2.774 -6.971 4.505 324 1HB LYS 44 1HB LYS 44 4.039 -8.932 5.315 325 2HB LYS 44 2HB LYS 44 4.718 -7.402 5.832 326 1HG LYS 44 1HG LYS 44 3.568 -7.760 8.039 327 2HG LYS 44 2HG LYS 44 3.200 -9.396 7.482 328 1HD LYS 44 1HD LYS 44 5.686 -9.628 7.004 329 2HD LYS 44 2HD LYS 44 5.898 -8.143 7.934 330 1HE LYS 44 1HE LYS 44 6.280 -10.025 9.373 331 2HE LYS 44 2HE LYS 44 4.774 -9.240 9.848 332 1HZ LYS 44 1HZ LYS 44 4.894 -11.617 8.074 333 2HZ LYS 44 2HZ LYS 44 3.518 -10.937 8.795 334 3HZ LYS 44 3HZ LYS 44 4.682 -11.713 9.756 335 H GLY 45 H GLY 45 1.232 -7.931 3.488 336 1HA GLY 45 1HA GLY 45 -0.329 -10.082 4.226 337 2HA GLY 45 2HA GLY 45 -1.167 -8.663 4.849 338 H ARG 46 H ARG 46 -2.891 -9.202 3.348 339 HA ARG 46 HA ARG 46 -2.300 -8.845 0.509 340 1HB ARG 46 1HB ARG 46 -4.839 -9.458 2.026 341 2HB ARG 46 2HB ARG 46 -4.851 -9.039 0.320 342 1HG ARG 46 1HG ARG 46 -3.372 -10.964 -0.122 343 2HG ARG 46 2HG ARG 46 -3.491 -11.407 1.581 344 1HD ARG 46 1HD ARG 46 -5.058 -12.669 0.134 345 2HD ARG 46 2HD ARG 46 -5.869 -11.729 1.387 346 HE ARG 46 HE ARG 46 -6.394 -10.083 -0.364 347 1HH1 ARG 46 1HH1 ARG 46 -5.481 -13.312 -1.359 348 2HH1 ARG 46 2HH1 ARG 46 -6.368 -13.241 -2.857 349 1HH2 ARG 46 1HH2 ARG 46 -7.548 -9.964 -2.345 350 2HH2 ARG 46 2HH2 ARG 46 -7.506 -11.326 -3.441 351 H HIS 47 H HIS 47 -1.957 -6.801 -0.091 352 HA HIS 47 HA HIS 47 -3.750 -4.727 0.959 353 1HB HIS 47 1HB HIS 47 -0.732 -4.546 0.868 354 2HB HIS 47 2HB HIS 47 -1.799 -3.189 1.200 355 HD1 HIS 47 HD1 HIS 47 0.178 -5.631 2.881 356 HD2 HIS 47 HD2 HIS 47 -3.471 -3.789 3.635 357 HE1 HIS 47 HE1 HIS 47 -0.238 -5.938 5.342 358 HE2 HIS 47 HE2 HIS 47 -2.393 -4.722 5.808 359 H ASP 48 H ASP 48 -4.288 -3.162 -0.451 360 HA ASP 48 HA ASP 48 -3.512 -3.378 -3.219 361 1HB ASP 48 1HB ASP 48 -5.747 -2.721 -2.924 362 2HB ASP 48 2HB ASP 48 -5.347 -1.589 -1.639 363 H LEU 49 H LEU 49 -2.337 -1.729 -4.405 364 HA LEU 49 HA LEU 49 0.023 -0.993 -3.086 365 1HB LEU 49 1HB LEU 49 -0.091 -1.377 -5.493 366 2HB LEU 49 2HB LEU 49 -1.119 0.030 -5.685 367 HG LEU 49 HG LEU 49 0.755 1.462 -4.900 368 1HD1 LEU 49 1HD1 LEU 49 1.979 -0.150 -3.580 369 2HD1 LEU 49 2HD1 LEU 49 3.017 0.496 -4.850 370 3HD1 LEU 49 3HD1 LEU 49 2.315 -1.112 -5.018 371 1HD2 LEU 49 1HD2 LEU 49 2.072 1.300 -6.954 372 2HD2 LEU 49 2HD2 LEU 49 0.344 1.151 -7.282 373 3HD2 LEU 49 3HD2 LEU 49 1.368 -0.285 -7.281 374 H GLN 50 H GLN 50 -2.554 1.116 -4.351 375 HA GLN 50 HA GLN 50 -1.565 3.522 -3.337 376 1HB GLN 50 1HB GLN 50 -4.466 2.793 -3.775 377 2HB GLN 50 2HB GLN 50 -3.795 4.417 -3.717 378 1HG GLN 50 1HG GLN 50 -2.516 3.965 -5.744 379 2HG GLN 50 2HG GLN 50 -3.177 2.332 -5.797 380 1HE2 GLN 50 1HE2 GLN 50 -4.155 2.596 -7.767 381 2HE2 GLN 50 2HE2 GLN 50 -5.536 3.607 -8.002 382 H SER 51 H SER 51 -3.772 1.166 -1.943 383 HA SER 51 HA SER 51 -4.464 2.578 0.380 384 1HB SER 51 1HB SER 51 -4.239 -0.420 0.023 385 2HB SER 51 2HB SER 51 -5.178 0.417 1.263 386 HG SER 51 HG SER 51 -5.591 0.479 -1.557 387 H SER 52 H SER 52 -1.801 0.299 -0.236 388 HA SER 52 HA SER 52 -0.778 0.188 2.369 389 1HB SER 52 1HB SER 52 0.776 -0.003 -0.226 390 2HB SER 52 2HB SER 52 1.287 -0.622 1.344 391 HG SER 52 HG SER 52 -0.843 -1.518 -0.293 392 H LEU 53 H LEU 53 -0.053 2.384 -0.307 393 HA LEU 53 HA LEU 53 1.952 3.877 0.993 394 1HB LEU 53 1HB LEU 53 0.039 4.689 -1.195 395 2HB LEU 53 2HB LEU 53 1.442 5.616 -0.704 396 HG LEU 53 HG LEU 53 1.551 2.825 -1.853 397 1HD1 LEU 53 1HD1 LEU 53 0.762 4.453 -3.497 398 2HD1 LEU 53 2HD1 LEU 53 2.388 3.884 -3.876 399 3HD1 LEU 53 3HD1 LEU 53 2.158 5.477 -3.153 400 1HD2 LEU 53 1HD2 LEU 53 3.955 3.313 -2.076 401 2HD2 LEU 53 2HD2 LEU 53 3.426 3.304 -0.394 402 3HD2 LEU 53 3HD2 LEU 53 3.710 4.836 -1.218 403 H ARG 54 H ARG 54 -1.549 4.270 0.770 404 HA ARG 54 HA ARG 54 -1.711 6.745 2.100 405 1HB ARG 54 1HB ARG 54 -3.524 5.818 0.728 406 2HB ARG 54 2HB ARG 54 -3.766 4.537 1.907 407 1HG ARG 54 1HG ARG 54 -4.496 6.126 3.559 408 2HG ARG 54 2HG ARG 54 -4.116 7.472 2.483 409 1HD ARG 54 1HD ARG 54 -6.517 6.970 2.507 410 2HD ARG 54 2HD ARG 54 -5.809 6.725 0.911 411 HE ARG 54 HE ARG 54 -6.025 4.372 2.619 412 1HH1 ARG 54 1HH1 ARG 54 -7.435 6.272 0.039 413 2HH1 ARG 54 2HH1 ARG 54 -8.377 4.955 -0.595 414 1HH2 ARG 54 1HH2 ARG 54 -7.236 2.640 1.794 415 2HH2 ARG 54 2HH2 ARG 54 -8.248 2.871 0.396 416 H ILE 55 H ILE 55 -2.061 3.407 3.319 417 HA ILE 55 HA ILE 55 -2.595 4.085 5.987 418 HB ILE 55 HB ILE 55 -1.213 1.619 4.914 419 1HG1 ILE 55 1HG1 ILE 55 -4.105 2.078 5.684 420 2HG1 ILE 55 2HG1 ILE 55 -3.499 2.021 4.031 421 1HG2 ILE 55 1HG2 ILE 55 -0.746 1.890 7.274 422 2HG2 ILE 55 2HG2 ILE 55 -1.880 0.561 7.033 423 3HG2 ILE 55 3HG2 ILE 55 -2.462 2.122 7.610 424 1HD1 ILE 55 1HD1 ILE 55 -4.550 -0.074 4.671 425 2HD1 ILE 55 2HD1 ILE 55 -3.420 -0.242 6.016 426 3HD1 ILE 55 3HD1 ILE 55 -2.830 -0.300 4.354 427 H LEU 56 H LEU 56 0.516 3.104 4.527 428 HA LEU 56 HA LEU 56 2.012 3.447 6.876 429 1HB LEU 56 1HB LEU 56 2.851 3.452 3.987 430 2HB LEU 56 2HB LEU 56 3.987 3.486 5.320 431 HG LEU 56 HG LEU 56 2.007 1.275 4.762 432 1HD1 LEU 56 1HD1 LEU 56 3.807 1.349 3.118 433 2HD1 LEU 56 2HD1 LEU 56 3.985 -0.043 4.186 434 3HD1 LEU 56 3HD1 LEU 56 5.002 1.380 4.415 435 1HD2 LEU 56 1HD2 LEU 56 3.218 0.065 6.519 436 2HD2 LEU 56 2HD2 LEU 56 2.444 1.522 7.143 437 3HD2 LEU 56 3HD2 LEU 56 4.181 1.507 6.841 438 H LEU 57 H LEU 57 1.496 5.699 4.150 439 HA LEU 57 HA LEU 57 3.161 7.658 5.558 440 1HB LEU 57 1HB LEU 57 2.196 7.517 2.712 441 2HB LEU 57 2HB LEU 57 2.949 8.951 3.375 442 HG LEU 57 HG LEU 57 4.945 7.437 3.929 443 1HD1 LEU 57 1HD1 LEU 57 5.194 5.484 2.457 444 2HD1 LEU 57 2HD1 LEU 57 3.516 5.675 1.948 445 3HD1 LEU 57 3HD1 LEU 57 3.890 5.286 3.626 446 1HD2 LEU 57 1HD2 LEU 57 4.216 8.030 1.066 447 2HD2 LEU 57 2HD2 LEU 57 5.841 7.678 1.657 448 3HD2 LEU 57 3HD2 LEU 57 4.998 9.130 2.199 449 H GLN 58 H GLN 58 0.217 6.947 6.084 450 HA GLN 58 HA GLN 58 -1.495 8.992 5.363 451 1HB GLN 58 1HB GLN 58 -2.247 6.982 6.526 452 2HB GLN 58 2HB GLN 58 -1.418 7.497 7.988 453 1HG GLN 58 1HG GLN 58 -2.884 9.413 8.180 454 2HG GLN 58 2HG GLN 58 -3.688 8.972 6.674 455 1HE2 GLN 58 1HE2 GLN 58 -5.104 7.240 6.650 456 2HE2 GLN 58 2HE2 GLN 58 -5.708 6.511 8.101 457 H GLY 59 H GLY 59 0.372 8.839 8.410 458 1HA GLY 59 1HA GLY 59 0.024 11.767 8.592 459 2HA GLY 59 2HA GLY 59 -0.020 10.707 9.991 460 H THR 60 H THR 60 2.278 10.348 7.365 461 HA THR 60 HA THR 60 4.437 10.743 9.257 462 HB THR 60 HB THR 60 5.884 10.092 7.292 463 HG1 THR 60 HG1 THR 60 4.582 9.051 5.573 464 1HG2 THR 60 1HG2 THR 60 5.146 8.467 8.982 465 2HG2 THR 60 2HG2 THR 60 5.258 7.738 7.381 466 3HG2 THR 60 3HG2 THR 60 3.683 8.170 8.044 467 H GLY 61 H GLY 61 2.689 12.788 7.326 468 1HA GLY 61 1HA GLY 61 3.045 15.011 6.820 469 2HA GLY 61 2HA GLY 61 4.644 14.873 7.532 470 H LEU 62 H LEU 62 4.221 12.441 5.271 471 HA LEU 62 HA LEU 62 5.798 13.953 3.322 472 1HB LEU 62 1HB LEU 62 5.406 10.966 3.569 473 2HB LEU 62 2HB LEU 62 6.504 11.781 2.473 474 HG LEU 62 HG LEU 62 6.729 11.779 5.486 475 1HD1 LEU 62 1HD1 LEU 62 7.210 9.594 4.554 476 2HD1 LEU 62 2HD1 LEU 62 8.700 10.368 5.095 477 3HD1 LEU 62 3HD1 LEU 62 8.307 10.316 3.377 478 1HD2 LEU 62 1HD2 LEU 62 8.553 12.894 3.358 479 2HD2 LEU 62 2HD2 LEU 62 8.939 12.784 5.075 480 3HD2 LEU 62 3HD2 LEU 62 7.621 13.823 4.532 481 H ARG 63 H ARG 63 5.394 13.365 1.020 482 HA ARG 63 HA ARG 63 2.512 12.987 0.540 483 1HB ARG 63 1HB ARG 63 4.644 14.391 -1.070 484 2HB ARG 63 2HB ARG 63 3.056 14.019 -1.715 485 1HG ARG 63 1HG ARG 63 2.011 15.452 -0.076 486 2HG ARG 63 2HG ARG 63 3.576 15.754 0.691 487 1HD ARG 63 1HD ARG 63 4.378 16.946 -1.170 488 2HD ARG 63 2HD ARG 63 3.085 16.356 -2.208 489 HE ARG 63 HE ARG 63 1.766 17.763 -0.307 490 1HH1 ARG 63 1HH1 ARG 63 4.540 18.527 -2.290 491 2HH1 ARG 63 2HH1 ARG 63 4.070 20.183 -2.542 492 1HH2 ARG 63 1HH2 ARG 63 1.130 19.955 -0.637 493 2HH2 ARG 63 2HH2 ARG 63 2.127 20.984 -1.617 494 H TYR 64 H TYR 64 1.945 11.104 -0.320 495 HA TYR 64 HA TYR 64 3.897 9.654 -1.947 496 1HB TYR 64 1HB TYR 64 2.116 7.811 -1.875 497 2HB TYR 64 2HB TYR 64 2.941 8.174 -0.365 498 HD1 TYR 64 HD1 TYR 64 1.748 9.456 1.410 499 HD2 TYR 64 HD2 TYR 64 -0.239 8.107 -2.102 500 HE1 TYR 64 HE1 TYR 64 -0.418 9.785 2.517 501 HE2 TYR 64 HE2 TYR 64 -2.414 8.442 -1.004 502 HH TYR 64 HH TYR 64 -2.742 10.174 1.914 503 H GLN 65 H GLN 65 3.884 10.014 -4.013 504 HA GLN 65 HA GLN 65 1.384 10.907 -5.287 505 1HB GLN 65 1HB GLN 65 3.142 12.598 -5.291 506 2HB GLN 65 2HB GLN 65 4.255 11.469 -6.042 507 1HG GLN 65 1HG GLN 65 2.821 11.406 -8.032 508 2HG GLN 65 2HG GLN 65 1.747 12.582 -7.274 509 1HE2 GLN 65 1HE2 GLN 65 4.873 12.061 -8.719 510 2HE2 GLN 65 2HE2 GLN 65 5.263 13.729 -8.942 511 H ILE 66 H ILE 66 0.462 9.311 -6.371 512 HA ILE 66 HA ILE 66 2.207 7.415 -7.780 513 HB ILE 66 HB ILE 66 0.816 6.285 -6.165 514 1HG1 ILE 66 1HG1 ILE 66 -0.232 5.827 -8.966 515 2HG1 ILE 66 2HG1 ILE 66 1.260 5.159 -8.313 516 1HG2 ILE 66 1HG2 ILE 66 -1.628 6.313 -6.271 517 2HG2 ILE 66 2HG2 ILE 66 -1.558 7.517 -7.558 518 3HG2 ILE 66 3HG2 ILE 66 -0.971 7.917 -5.944 519 1HD1 ILE 66 1HD1 ILE 66 -0.049 3.918 -6.650 520 2HD1 ILE 66 2HD1 ILE 66 -0.486 3.497 -8.306 521 3HD1 ILE 66 3HD1 ILE 66 -1.532 4.558 -7.363 522 H ASP 67 H ASP 67 2.234 7.420 -9.908 523 HA ASP 67 HA ASP 67 -0.106 8.348 -11.399 524 1HB ASP 67 1HB ASP 67 1.488 10.291 -11.097 525 2HB ASP 67 2HB ASP 67 2.675 9.370 -12.017 526 H GLY 68 H GLY 68 -0.569 6.796 -12.812 527 1HA GLY 68 1HA GLY 68 -0.337 4.975 -14.187 528 2HA GLY 68 2HA GLY 68 1.293 5.546 -14.521 529 H ASN 69 H ASN 69 2.933 4.354 -13.831 530 HA ASN 69 HA ASN 69 2.469 2.502 -11.584 531 1HB ASN 69 1HB ASN 69 3.946 2.013 -14.165 532 2HB ASN 69 2HB ASN 69 4.309 1.084 -12.714 533 1HD2 ASN 69 1HD2 ASN 69 3.613 -0.832 -13.630 534 2HD2 ASN 69 2HD2 ASN 69 1.942 -1.178 -13.892 535 H THR 70 H THR 70 3.587 5.277 -11.963 536 HA THR 70 HA THR 70 6.264 4.821 -10.830 537 HB THR 70 HB THR 70 5.178 7.395 -11.995 538 HG1 THR 70 HG1 THR 70 5.433 5.680 -13.575 539 1HG2 THR 70 1HG2 THR 70 7.973 6.535 -11.237 540 2HG2 THR 70 2HG2 THR 70 6.987 7.742 -10.412 541 3HG2 THR 70 3HG2 THR 70 7.561 8.044 -12.052 542 H VAL 71 H VAL 71 6.670 5.454 -8.803 543 HA VAL 71 HA VAL 71 4.553 6.913 -7.351 544 HB VAL 71 HB VAL 71 6.466 4.899 -6.156 545 1HG1 VAL 71 1HG1 VAL 71 3.980 6.200 -5.052 546 2HG1 VAL 71 2HG1 VAL 71 5.641 6.555 -4.579 547 3HG1 VAL 71 3HG1 VAL 71 4.945 4.971 -4.234 548 1HG2 VAL 71 1HG2 VAL 71 4.981 3.767 -7.725 549 2HG2 VAL 71 2HG2 VAL 71 3.580 4.493 -6.938 550 3HG2 VAL 71 3HG2 VAL 71 4.585 3.341 -6.059 551 H THR 72 H THR 72 5.189 8.776 -6.429 552 HA THR 72 HA THR 72 8.092 9.261 -6.155 553 HB THR 72 HB THR 72 5.976 11.404 -6.387 554 HG1 THR 72 HG1 THR 72 7.301 9.925 -8.392 555 1HG2 THR 72 1HG2 THR 72 7.889 12.784 -7.092 556 2HG2 THR 72 2HG2 THR 72 8.960 11.406 -6.851 557 3HG2 THR 72 3HG2 THR 72 8.122 12.119 -5.474 558 H VAL 73 H VAL 73 8.807 9.469 -4.142 559 HA VAL 73 HA VAL 73 6.858 10.036 -2.004 560 HB VAL 73 HB VAL 73 9.477 8.539 -1.763 561 1HG1 VAL 73 1HG1 VAL 73 8.876 9.693 0.285 562 2HG1 VAL 73 2HG1 VAL 73 8.658 7.953 0.481 563 3HG1 VAL 73 3HG1 VAL 73 7.257 8.996 0.230 564 1HG2 VAL 73 1HG2 VAL 73 7.849 7.258 -3.043 565 2HG2 VAL 73 2HG2 VAL 73 6.646 7.495 -1.775 566 3HG2 VAL 73 3HG2 VAL 73 8.094 6.540 -1.452 567 H THR 74 H THR 74 7.010 12.152 -1.641 568 HA THR 74 HA THR 74 9.643 13.257 -0.982 569 HB THR 74 HB THR 74 9.227 13.949 -3.280 570 HG1 THR 74 HG1 THR 74 9.898 15.518 -1.426 571 1HG2 THR 74 1HG2 THR 74 6.645 15.127 -2.252 572 2HG2 THR 74 2HG2 THR 74 6.794 13.727 -3.313 573 3HG2 THR 74 3HG2 THR 74 7.290 15.321 -3.881 574 H ALA 75 H ALA 75 9.590 14.979 0.522 575 HA ALA 75 HA ALA 75 7.486 14.867 2.418 576 1HB ALA 75 1HB ALA 75 9.820 15.358 3.018 577 2HB ALA 75 2HB ALA 75 8.711 16.602 3.597 578 3HB ALA 75 3HB ALA 75 9.701 16.899 2.167 579 H SER 76 H SER 76 6.185 16.660 3.145 580 HA SER 76 HA SER 76 4.789 17.899 1.007 581 1HB SER 76 1HB SER 76 4.615 18.399 3.988 582 2HB SER 76 2HB SER 76 3.435 18.926 2.788 583 HG SER 76 HG SER 76 3.935 16.380 3.810 584 H ALA 77 H ALA 77 7.298 18.919 3.201 585 HA ALA 77 HA ALA 77 8.560 20.807 3.366 586 1HB ALA 77 1HB ALA 77 9.308 19.901 1.221 587 2HB ALA 77 2HB ALA 77 9.402 21.662 1.255 588 3HB ALA 77 3HB ALA 77 8.088 20.864 0.390 589 H ALA 78 H ALA 78 6.738 21.821 4.547 590 HA ALA 78 HA ALA 78 5.098 23.715 3.137 591 1HB ALA 78 1HB ALA 78 4.281 22.572 5.152 592 2HB ALA 78 2HB ALA 78 4.256 24.327 5.338 593 3HB ALA 78 3HB ALA 78 5.528 23.378 6.103 594 H ALA 79 H ALA 79 7.998 23.801 5.128 595 HA ALA 79 HA ALA 79 8.624 26.440 4.070 596 1HB ALA 79 1HB ALA 79 7.397 26.924 6.139 597 2HB ALA 79 2HB ALA 79 9.092 27.397 6.262 598 3HB ALA 79 3HB ALA 79 8.530 25.918 7.040 599 H LYS 80 H LYS 80 10.759 26.766 3.822 600 HA LYS 80 HA LYS 80 13.001 26.450 3.803 601 1HB LYS 80 1HB LYS 80 12.398 24.671 6.153 602 2HB LYS 80 2HB LYS 80 14.020 24.840 5.501 603 1HG LYS 80 1HG LYS 80 13.849 27.295 5.913 604 2HG LYS 80 2HG LYS 80 12.317 26.987 6.741 605 1HD LYS 80 1HD LYS 80 14.268 27.132 8.280 606 2HD LYS 80 2HD LYS 80 13.414 25.587 8.365 607 1HE LYS 80 1HE LYS 80 15.106 24.615 6.845 608 2HE LYS 80 2HE LYS 80 15.973 26.148 6.863 609 1HZ LYS 80 1HZ LYS 80 15.415 24.563 9.306 610 2HZ LYS 80 2HZ LYS 80 16.450 25.896 9.158 611 3HZ LYS 80 3HZ LYS 80 16.842 24.425 8.409 612 H ASP 81 H ASP 81 14.398 25.238 2.646 613 HA ASP 81 HA ASP 81 13.428 22.695 1.599 614 1HB ASP 81 1HB ASP 81 14.305 24.308 -0.016 615 2HB ASP 81 2HB ASP 81 15.832 24.386 0.857 616 H GLY 82 H GLY 82 13.643 21.567 3.585 617 1HA GLY 82 1HA GLY 82 15.118 19.769 4.379 618 2HA GLY 82 2HA GLY 82 16.433 20.938 4.316 Start of MODEL 13 1 1H SER 1 1H SER 1 -9.997 -3.334 -6.723 2 2H SER 1 2H SER 1 -8.929 -3.713 -7.981 3 3H SER 1 3H SER 1 -8.346 -3.551 -6.393 4 HA SER 1 HA SER 1 -9.642 -5.459 -5.702 5 1HB SER 1 1HB SER 1 -11.421 -5.222 -7.414 6 2HB SER 1 2HB SER 1 -10.278 -5.726 -8.653 7 HG SER 1 HG SER 1 -11.482 -7.233 -6.601 8 H GLN 2 H GLN 2 -7.515 -4.757 -8.382 9 HA GLN 2 HA GLN 2 -6.060 -7.210 -8.272 10 1HB GLN 2 1HB GLN 2 -5.965 -5.644 -10.207 11 2HB GLN 2 2HB GLN 2 -5.134 -4.474 -9.194 12 1HG GLN 2 1HG GLN 2 -3.518 -5.571 -10.549 13 2HG GLN 2 2HG GLN 2 -3.304 -6.128 -8.891 14 1HE2 GLN 2 1HE2 GLN 2 -5.872 -7.212 -11.003 15 2HE2 GLN 2 2HE2 GLN 2 -5.305 -8.836 -11.178 16 H GLU 3 H GLU 3 -5.629 -7.661 -6.134 17 HA GLU 3 HA GLU 3 -4.123 -5.650 -4.608 18 1HB GLU 3 1HB GLU 3 -5.914 -7.869 -3.590 19 2HB GLU 3 2HB GLU 3 -5.028 -6.729 -2.584 20 1HG GLU 3 1HG GLU 3 -6.330 -4.891 -3.457 21 2HG GLU 3 2HG GLU 3 -7.170 -5.977 -4.562 22 H TRP 4 H TRP 4 -2.666 -6.604 -2.959 23 HA TRP 4 HA TRP 4 -1.454 -9.116 -3.858 24 1HB TRP 4 1HB TRP 4 0.023 -6.502 -3.461 25 2HB TRP 4 2HB TRP 4 0.814 -8.066 -3.607 26 HD1 TRP 4 HD1 TRP 4 0.703 -9.265 -6.046 27 HE1 TRP 4 HE1 TRP 4 0.448 -8.253 -8.402 28 HE3 TRP 4 HE3 TRP 4 -1.056 -4.632 -4.758 29 HZ2 TRP 4 HZ2 TRP 4 -0.384 -5.824 -9.557 30 HZ3 TRP 4 HZ3 TRP 4 -1.556 -3.025 -6.554 31 HH2 TRP 4 HH2 TRP 4 -1.224 -3.608 -8.901 32 H THR 5 H THR 5 -0.041 -10.063 -2.243 33 HA THR 5 HA THR 5 -0.771 -9.232 0.483 34 HB THR 5 HB THR 5 0.599 -11.809 -0.324 35 HG1 THR 5 HG1 THR 5 -1.359 -11.962 -1.318 36 1HG2 THR 5 1HG2 THR 5 -0.246 -12.603 1.839 37 2HG2 THR 5 2HG2 THR 5 -0.968 -11.023 2.141 38 3HG2 THR 5 3HG2 THR 5 0.786 -11.185 2.045 39 H LEU 6 H LEU 6 0.663 -7.695 1.067 40 HA LEU 6 HA LEU 6 3.376 -7.853 -0.014 41 1HB LEU 6 1HB LEU 6 1.920 -5.554 1.289 42 2HB LEU 6 2HB LEU 6 3.517 -5.474 0.567 43 HG LEU 6 HG LEU 6 0.989 -6.128 -0.951 44 1HD1 LEU 6 1HD1 LEU 6 0.968 -3.835 -0.127 45 2HD1 LEU 6 2HD1 LEU 6 1.186 -3.885 -1.878 46 3HD1 LEU 6 3HD1 LEU 6 2.566 -3.564 -0.824 47 1HD2 LEU 6 1HD2 LEU 6 2.386 -5.783 -2.925 48 2HD2 LEU 6 2HD2 LEU 6 3.010 -7.095 -1.924 49 3HD2 LEU 6 3HD2 LEU 6 3.789 -5.513 -1.890 50 H ASP 7 H ASP 7 5.042 -8.376 1.205 51 HA ASP 7 HA ASP 7 4.783 -8.262 4.127 52 1HB ASP 7 1HB ASP 7 5.641 -10.361 2.970 53 2HB ASP 7 2HB ASP 7 7.067 -9.433 2.524 54 H ILE 8 H ILE 8 5.109 -6.161 4.654 55 HA ILE 8 HA ILE 8 7.412 -4.769 3.485 56 HB ILE 8 HB ILE 8 4.984 -3.684 4.925 57 1HG1 ILE 8 1HG1 ILE 8 4.533 -4.445 2.643 58 2HG1 ILE 8 2HG1 ILE 8 4.453 -2.689 2.732 59 1HG2 ILE 8 1HG2 ILE 8 6.932 -2.323 5.449 60 2HG2 ILE 8 2HG2 ILE 8 5.842 -1.455 4.367 61 3HG2 ILE 8 3HG2 ILE 8 7.317 -2.185 3.733 62 1HD1 ILE 8 1HD1 ILE 8 5.571 -3.408 0.710 63 2HD1 ILE 8 2HD1 ILE 8 6.751 -4.311 1.660 64 3HD1 ILE 8 3HD1 ILE 8 6.696 -2.551 1.765 65 HA PRO 9 HA PRO 9 9.612 -5.482 7.268 66 1HB PRO 9 1HB PRO 9 11.311 -3.285 6.245 67 2HB PRO 9 2HB PRO 9 11.749 -4.943 6.674 68 1HG PRO 9 1HG PRO 9 11.635 -4.165 4.123 69 2HG PRO 9 2HG PRO 9 11.103 -5.784 4.615 70 1HD PRO 9 1HD PRO 9 9.463 -3.362 3.973 71 2HD PRO 9 2HD PRO 9 9.182 -5.062 3.537 72 H ALA 10 H ALA 10 10.135 -4.402 9.194 73 HA ALA 10 HA ALA 10 8.707 -1.848 9.561 74 1HB ALA 10 1HB ALA 10 8.461 -2.477 11.907 75 2HB ALA 10 2HB ALA 10 9.354 -3.969 11.611 76 3HB ALA 10 3HB ALA 10 7.781 -3.716 10.852 77 H GLN 11 H GLN 11 11.511 -2.495 8.696 78 HA GLN 11 HA GLN 11 13.052 -1.213 10.825 79 1HB GLN 11 1HB GLN 11 15.018 -1.854 9.363 80 2HB GLN 11 2HB GLN 11 14.106 -3.199 10.032 81 1HG GLN 11 1HG GLN 11 12.881 -3.338 7.853 82 2HG GLN 11 2HG GLN 11 14.018 -2.152 7.214 83 1HE2 GLN 11 1HE2 GLN 11 13.525 -4.941 6.442 84 2HE2 GLN 11 2HE2 GLN 11 15.051 -5.739 6.568 85 H SER 12 H SER 12 15.047 -0.132 9.027 86 HA SER 12 HA SER 12 14.136 2.431 8.609 87 1HB SER 12 1HB SER 12 16.513 1.838 8.535 88 2HB SER 12 2HB SER 12 16.260 0.943 7.036 89 HG SER 12 HG SER 12 17.081 3.054 6.656 90 H MET 13 H MET 13 12.958 3.449 7.136 91 HA MET 13 HA MET 13 11.215 2.148 5.431 92 1HB MET 13 1HB MET 13 10.980 4.487 6.269 93 2HB MET 13 2HB MET 13 12.207 4.984 5.111 94 1HG MET 13 1HG MET 13 10.780 4.278 3.273 95 2HG MET 13 2HG MET 13 9.553 3.741 4.418 96 1HE MET 13 1HE MET 13 8.423 7.129 6.027 97 2HE MET 13 2HE MET 13 9.692 6.058 6.618 98 3HE MET 13 3HE MET 13 8.188 5.381 5.995 99 H ASN 14 H ASN 14 14.488 3.101 4.889 100 HA ASN 14 HA ASN 14 14.799 3.026 2.158 101 1HB ASN 14 1HB ASN 14 16.680 3.470 3.570 102 2HB ASN 14 2HB ASN 14 16.528 1.918 4.380 103 1HD2 ASN 14 1HD2 ASN 14 18.573 1.242 3.950 104 2HD2 ASN 14 2HD2 ASN 14 19.133 0.833 2.362 105 H SER 15 H SER 15 14.644 0.246 4.395 106 HA SER 15 HA SER 15 14.928 -1.666 2.276 107 1HB SER 15 1HB SER 15 13.993 -2.105 5.127 108 2HB SER 15 2HB SER 15 14.630 -3.323 4.019 109 HG SER 15 HG SER 15 16.628 -2.207 4.043 110 H ALA 16 H ALA 16 12.289 -0.259 4.112 111 HA ALA 16 HA ALA 16 10.249 -2.024 3.362 112 1HB ALA 16 1HB ALA 16 10.017 0.894 4.058 113 2HB ALA 16 2HB ALA 16 10.057 -0.443 5.209 114 3HB ALA 16 3HB ALA 16 8.712 -0.290 4.079 115 H LEU 17 H LEU 17 11.096 1.152 1.920 116 HA LEU 17 HA LEU 17 9.048 1.053 -0.019 117 1HB LEU 17 1HB LEU 17 11.635 2.599 0.021 118 2HB LEU 17 2HB LEU 17 10.361 2.849 -1.158 119 HG LEU 17 HG LEU 17 10.102 3.267 1.820 120 1HD1 LEU 17 1HD1 LEU 17 11.488 4.966 0.765 121 2HD1 LEU 17 2HD1 LEU 17 9.931 5.635 1.249 122 3HD1 LEU 17 3HD1 LEU 17 10.237 5.251 -0.444 123 1HD2 LEU 17 1HD2 LEU 17 8.146 3.756 -0.416 124 2HD2 LEU 17 2HD2 LEU 17 7.928 4.254 1.262 125 3HD2 LEU 17 3HD2 LEU 17 8.006 2.541 0.853 126 H GLN 18 H GLN 18 12.475 0.155 -0.160 127 HA GLN 18 HA GLN 18 12.491 -0.597 -2.867 128 1HB GLN 18 1HB GLN 18 14.170 -1.568 -0.557 129 2HB GLN 18 2HB GLN 18 14.491 -1.959 -2.239 130 1HG GLN 18 1HG GLN 18 14.442 0.813 -1.072 131 2HG GLN 18 2HG GLN 18 15.892 -0.127 -1.422 132 1HE2 GLN 18 1HE2 GLN 18 16.483 -0.486 -3.553 133 2HE2 GLN 18 2HE2 GLN 18 15.866 0.484 -4.852 134 H ALA 19 H ALA 19 11.587 -2.352 0.052 135 HA ALA 19 HA ALA 19 11.245 -4.885 -1.162 136 1HB ALA 19 1HB ALA 19 9.921 -5.453 0.801 137 2HB ALA 19 2HB ALA 19 9.836 -3.749 1.253 138 3HB ALA 19 3HB ALA 19 11.386 -4.590 1.269 139 H LEU 20 H LEU 20 9.089 -2.130 -0.680 140 HA LEU 20 HA LEU 20 6.702 -3.422 -1.482 141 1HB LEU 20 1HB LEU 20 6.707 -1.396 -0.134 142 2HB LEU 20 2HB LEU 20 7.491 -0.507 -1.422 143 HG LEU 20 HG LEU 20 5.477 -0.789 -2.821 144 1HD1 LEU 20 1HD1 LEU 20 3.412 -1.613 -1.814 145 2HD1 LEU 20 2HD1 LEU 20 4.290 -2.027 -0.343 146 3HD1 LEU 20 3HD1 LEU 20 4.647 -2.871 -1.849 147 1HD2 LEU 20 1HD2 LEU 20 5.769 1.207 -1.449 148 2HD2 LEU 20 2HD2 LEU 20 4.962 0.403 -0.101 149 3HD2 LEU 20 3HD2 LEU 20 4.066 0.765 -1.578 150 H ALA 21 H ALA 21 9.193 -1.615 -3.142 151 HA ALA 21 HA ALA 21 7.823 -1.164 -5.582 152 1HB ALA 21 1HB ALA 21 9.807 0.116 -4.932 153 2HB ALA 21 2HB ALA 21 10.027 -0.652 -6.504 154 3HB ALA 21 3HB ALA 21 10.795 -1.339 -5.072 155 H LYS 22 H LYS 22 10.220 -3.578 -4.607 156 HA LYS 22 HA LYS 22 10.287 -4.925 -7.072 157 1HB LYS 22 1HB LYS 22 12.052 -5.050 -5.322 158 2HB LYS 22 2HB LYS 22 10.975 -6.044 -4.352 159 1HG LYS 22 1HG LYS 22 12.577 -7.427 -5.512 160 2HG LYS 22 2HG LYS 22 10.952 -7.733 -6.129 161 1HD LYS 22 1HD LYS 22 12.357 -7.615 -8.030 162 2HD LYS 22 2HD LYS 22 11.486 -6.082 -7.973 163 1HE LYS 22 1HE LYS 22 13.778 -5.630 -8.493 164 2HE LYS 22 2HE LYS 22 13.460 -5.069 -6.852 165 1HZ LYS 22 1HZ LYS 22 14.639 -7.728 -7.419 166 2HZ LYS 22 2HZ LYS 22 14.618 -6.885 -5.941 167 3HZ LYS 22 3HZ LYS 22 15.590 -6.338 -7.219 168 H GLN 23 H GLN 23 8.141 -5.234 -4.324 169 HA GLN 23 HA GLN 23 7.212 -7.847 -5.093 170 1HB GLN 23 1HB GLN 23 6.232 -5.890 -3.019 171 2HB GLN 23 2HB GLN 23 5.482 -7.455 -3.300 172 1HG GLN 23 1HG GLN 23 7.573 -8.571 -2.730 173 2HG GLN 23 2HG GLN 23 8.343 -7.008 -2.472 174 1HE2 GLN 23 1HE2 GLN 23 8.828 -7.421 -0.339 175 2HE2 GLN 23 2HE2 GLN 23 7.620 -7.472 0.904 176 H THR 24 H THR 24 6.308 -4.596 -5.878 177 HA THR 24 HA THR 24 3.859 -5.644 -7.139 178 HB THR 24 HB THR 24 3.078 -3.227 -7.087 179 HG1 THR 24 HG1 THR 24 5.064 -2.954 -5.056 180 1HG2 THR 24 1HG2 THR 24 2.322 -3.359 -4.770 181 2HG2 THR 24 2HG2 THR 24 3.528 -4.604 -4.439 182 3HG2 THR 24 3HG2 THR 24 2.206 -4.931 -5.560 183 H ASP 25 H ASP 25 6.834 -5.116 -7.973 184 HA ASP 25 HA ASP 25 8.004 -4.526 -9.832 185 1HB ASP 25 1HB ASP 25 5.320 -4.669 -11.226 186 2HB ASP 25 2HB ASP 25 6.900 -4.733 -11.995 187 H THR 26 H THR 26 7.138 -2.396 -8.200 188 HA THR 26 HA THR 26 6.339 -0.315 -10.112 189 HB THR 26 HB THR 26 5.859 1.014 -7.991 190 HG1 THR 26 HG1 THR 26 5.457 -1.271 -6.529 191 1HG2 THR 26 1HG2 THR 26 4.266 -1.503 -8.505 192 2HG2 THR 26 2HG2 THR 26 4.084 0.028 -9.358 193 3HG2 THR 26 3HG2 THR 26 3.688 -0.077 -7.645 194 H GLN 27 H GLN 27 7.147 1.928 -9.272 195 HA GLN 27 HA GLN 27 10.041 1.748 -8.748 196 1HB GLN 27 1HB GLN 27 9.616 2.338 -11.084 197 2HB GLN 27 2HB GLN 27 8.548 3.638 -10.581 198 1HG GLN 27 1HG GLN 27 10.522 4.682 -9.441 199 2HG GLN 27 2HG GLN 27 11.523 3.462 -10.228 200 1HE2 GLN 27 1HE2 GLN 27 12.650 4.991 -11.411 201 2HE2 GLN 27 2HE2 GLN 27 11.945 5.849 -12.739 202 H LEU 28 H LEU 28 10.681 2.857 -6.986 203 HA LEU 28 HA LEU 28 8.804 4.814 -5.842 204 1HB LEU 28 1HB LEU 28 10.697 2.863 -4.670 205 2HB LEU 28 2HB LEU 28 10.591 4.409 -3.863 206 HG LEU 28 HG LEU 28 9.130 2.850 -2.772 207 1HD1 LEU 28 1HD1 LEU 28 8.381 5.172 -2.931 208 2HD1 LEU 28 2HD1 LEU 28 7.024 4.045 -2.894 209 3HD1 LEU 28 3HD1 LEU 28 7.513 4.787 -4.416 210 1HD2 LEU 28 1HD2 LEU 28 8.810 1.302 -4.627 211 2HD2 LEU 28 2HD2 LEU 28 7.793 2.488 -5.446 212 3HD2 LEU 28 3HD2 LEU 28 7.269 1.782 -3.918 213 H LEU 29 H LEU 29 9.306 6.869 -6.102 214 HA LEU 29 HA LEU 29 12.133 7.626 -6.387 215 1HB LEU 29 1HB LEU 29 9.627 9.125 -7.162 216 2HB LEU 29 2HB LEU 29 11.258 9.720 -7.360 217 HG LEU 29 HG LEU 29 10.051 7.348 -8.776 218 1HD1 LEU 29 1HD1 LEU 29 10.264 8.721 -10.771 219 2HD1 LEU 29 2HD1 LEU 29 10.901 10.048 -9.806 220 3HD1 LEU 29 3HD1 LEU 29 9.241 9.512 -9.574 221 1HD2 LEU 29 1HD2 LEU 29 12.431 7.012 -8.295 222 2HD2 LEU 29 2HD2 LEU 29 12.801 8.561 -9.053 223 3HD2 LEU 29 3HD2 LEU 29 12.141 7.241 -10.019 224 H TYR 30 H TYR 30 12.973 8.273 -4.516 225 HA TYR 30 HA TYR 30 11.628 10.245 -2.893 226 1HB TYR 30 1HB TYR 30 11.661 8.910 -0.832 227 2HB TYR 30 2HB TYR 30 10.629 8.160 -2.044 228 HD1 TYR 30 HD1 TYR 30 11.353 6.088 -3.179 229 HD2 TYR 30 HD2 TYR 30 13.662 7.823 -0.054 230 HE1 TYR 30 HE1 TYR 30 12.595 3.978 -2.932 231 HE2 TYR 30 HE2 TYR 30 14.909 5.722 0.200 232 HH TYR 30 HH TYR 30 14.655 3.139 -2.072 233 H SER 31 H SER 31 13.020 11.006 -1.130 234 HA SER 31 HA SER 31 15.859 10.369 -1.575 235 1HB SER 31 1HB SER 31 14.710 13.007 -0.635 236 2HB SER 31 2HB SER 31 16.385 12.674 -1.078 237 HG SER 31 HG SER 31 14.105 12.863 -2.734 238 HA PRO 32 HA PRO 32 15.941 8.890 2.567 239 1HB PRO 32 1HB PRO 32 18.673 10.033 2.711 240 2HB PRO 32 2HB PRO 32 18.134 8.368 2.944 241 1HG PRO 32 1HG PRO 32 19.433 9.083 0.732 242 2HG PRO 32 2HG PRO 32 18.096 7.918 0.674 243 1HD PRO 32 1HD PRO 32 18.119 10.817 -0.073 244 2HD PRO 32 2HD PRO 32 17.313 9.451 -0.874 245 H GLU 33 H GLU 33 16.722 12.181 1.827 246 HA GLU 33 HA GLU 33 16.815 13.123 4.518 247 1HB GLU 33 1HB GLU 33 16.658 15.370 3.457 248 2HB GLU 33 2HB GLU 33 17.966 14.376 2.836 249 1HG GLU 33 1HG GLU 33 16.634 13.828 0.872 250 2HG GLU 33 2HG GLU 33 15.301 14.795 1.505 251 H ASP 34 H ASP 34 14.272 12.166 2.473 252 HA ASP 34 HA ASP 34 12.309 13.943 3.714 253 1HB ASP 34 1HB ASP 34 11.834 11.740 1.686 254 2HB ASP 34 2HB ASP 34 10.685 12.975 2.180 255 H ILE 35 H ILE 35 13.744 10.952 4.215 256 HA ILE 35 HA ILE 35 11.361 9.856 5.557 257 HB ILE 35 HB ILE 35 12.269 7.648 5.306 258 1HG1 ILE 35 1HG1 ILE 35 14.681 8.931 4.006 259 2HG1 ILE 35 2HG1 ILE 35 14.654 8.239 5.625 260 1HG2 ILE 35 1HG2 ILE 35 12.319 7.447 2.857 261 2HG2 ILE 35 2HG2 ILE 35 12.510 9.196 2.730 262 3HG2 ILE 35 3HG2 ILE 35 11.031 8.517 3.411 263 1HD1 ILE 35 1HD1 ILE 35 15.665 6.722 4.022 264 2HD1 ILE 35 2HD1 ILE 35 14.186 6.732 3.062 265 3HD1 ILE 35 3HD1 ILE 35 14.181 6.044 4.684 266 H GLY 36 H GLY 36 14.419 11.200 6.086 267 1HA GLY 36 1HA GLY 36 15.453 11.782 8.046 268 2HA GLY 36 2HA GLY 36 14.019 11.226 8.884 269 H GLY 37 H GLY 37 15.233 8.744 7.002 270 1HA GLY 37 1HA GLY 37 16.387 6.818 7.479 271 2HA GLY 37 2HA GLY 37 17.320 7.760 8.636 272 H LEU 38 H LEU 38 13.828 7.276 8.693 273 HA LEU 38 HA LEU 38 14.158 5.983 11.304 274 1HB LEU 38 1HB LEU 38 11.728 6.574 11.628 275 2HB LEU 38 2HB LEU 38 12.852 7.912 11.591 276 HG LEU 38 HG LEU 38 12.166 8.261 9.168 277 1HD1 LEU 38 1HD1 LEU 38 11.136 6.073 8.786 278 2HD1 LEU 38 2HD1 LEU 38 10.005 7.392 8.484 279 3HD1 LEU 38 3HD1 LEU 38 9.892 6.455 9.976 280 1HD2 LEU 38 1HD2 LEU 38 10.126 9.458 9.797 281 2HD2 LEU 38 2HD2 LEU 38 11.424 9.711 10.963 282 3HD2 LEU 38 3HD2 LEU 38 10.105 8.602 11.337 283 H ARG 39 H ARG 39 12.308 4.444 11.842 284 HA ARG 39 HA ARG 39 12.209 2.484 9.690 285 1HB ARG 39 1HB ARG 39 11.477 0.916 11.465 286 2HB ARG 39 2HB ARG 39 13.039 1.655 11.785 287 1HG ARG 39 1HG ARG 39 11.748 3.329 13.220 288 2HG ARG 39 2HG ARG 39 10.407 2.183 13.110 289 1HD ARG 39 1HD ARG 39 11.784 1.835 15.133 290 2HD ARG 39 2HD ARG 39 11.780 0.431 14.064 291 HE ARG 39 HE ARG 39 13.968 2.243 13.594 292 1HH1 ARG 39 1HH1 ARG 39 12.892 -0.485 15.530 293 2HH1 ARG 39 2HH1 ARG 39 14.502 -1.061 15.823 294 1HH2 ARG 39 1HH2 ARG 39 16.073 1.460 13.947 295 2HH2 ARG 39 2HH2 ARG 39 16.316 0.032 14.912 296 H SER 40 H SER 40 10.397 1.714 8.813 297 HA SER 40 HA SER 40 8.034 3.360 9.110 298 1HB SER 40 1HB SER 40 7.277 1.881 7.138 299 2HB SER 40 2HB SER 40 8.627 2.983 6.861 300 HG SER 40 HG SER 40 8.818 0.210 7.475 301 H SER 41 H SER 41 5.885 2.220 9.019 302 HA SER 41 HA SER 41 5.775 0.290 11.167 303 1HB SER 41 1HB SER 41 3.474 1.483 9.595 304 2HB SER 41 2HB SER 41 3.411 0.737 11.193 305 HG SER 41 HG SER 41 3.778 2.650 11.960 306 H ALA 42 H ALA 42 5.433 -1.818 10.930 307 HA ALA 42 HA ALA 42 5.810 -3.117 8.491 308 1HB ALA 42 1HB ALA 42 4.569 -4.193 11.023 309 2HB ALA 42 2HB ALA 42 6.286 -4.177 10.630 310 3HB ALA 42 3HB ALA 42 5.177 -5.165 9.683 311 H LEU 43 H LEU 43 4.456 -2.762 6.840 312 HA LEU 43 HA LEU 43 1.570 -3.026 7.308 313 1HB LEU 43 1HB LEU 43 2.792 -1.017 6.077 314 2HB LEU 43 2HB LEU 43 2.735 -2.106 4.707 315 HG LEU 43 HG LEU 43 0.877 -0.510 4.684 316 1HD1 LEU 43 1HD1 LEU 43 -0.944 -2.064 4.339 317 2HD1 LEU 43 2HD1 LEU 43 -0.081 -3.313 5.233 318 3HD1 LEU 43 3HD1 LEU 43 0.553 -2.732 3.692 319 1HD2 LEU 43 1HD2 LEU 43 -0.888 -0.640 6.371 320 2HD2 LEU 43 2HD2 LEU 43 0.658 -0.153 7.071 321 3HD2 LEU 43 3HD2 LEU 43 0.078 -1.805 7.283 322 H LYS 44 H LYS 44 1.646 -5.303 7.439 323 HA LYS 44 HA LYS 44 2.161 -6.624 4.865 324 1HB LYS 44 1HB LYS 44 3.688 -7.473 6.520 325 2HB LYS 44 2HB LYS 44 2.379 -7.735 7.664 326 1HG LYS 44 1HG LYS 44 1.758 -9.684 6.719 327 2HG LYS 44 2HG LYS 44 2.119 -9.132 5.083 328 1HD LYS 44 1HD LYS 44 3.605 -10.953 5.814 329 2HD LYS 44 2HD LYS 44 4.488 -9.467 5.458 330 1HE LYS 44 1HE LYS 44 4.473 -8.956 7.897 331 2HE LYS 44 2HE LYS 44 3.751 -10.543 8.174 332 1HZ LYS 44 1HZ LYS 44 6.180 -10.518 8.461 333 2HZ LYS 44 2HZ LYS 44 6.361 -10.094 6.825 334 3HZ LYS 44 3HZ LYS 44 5.680 -11.589 7.248 335 H GLY 45 H GLY 45 0.308 -6.753 3.870 336 1HA GLY 45 1HA GLY 45 -1.824 -8.333 4.917 337 2HA GLY 45 2HA GLY 45 -2.233 -6.621 4.888 338 H ARG 46 H ARG 46 -3.904 -7.339 3.363 339 HA ARG 46 HA ARG 46 -2.777 -7.583 0.651 340 1HB ARG 46 1HB ARG 46 -3.799 -9.707 1.380 341 2HB ARG 46 2HB ARG 46 -5.318 -8.869 1.671 342 1HG ARG 46 1HG ARG 46 -5.593 -8.415 -0.658 343 2HG ARG 46 2HG ARG 46 -3.970 -9.007 -1.019 344 1HD ARG 46 1HD ARG 46 -6.239 -10.658 0.083 345 2HD ARG 46 2HD ARG 46 -5.687 -10.655 -1.593 346 HE ARG 46 HE ARG 46 -3.451 -11.368 -0.492 347 1HH1 ARG 46 1HH1 ARG 46 -6.636 -12.299 0.616 348 2HH1 ARG 46 2HH1 ARG 46 -6.114 -13.834 1.227 349 1HH2 ARG 46 1HH2 ARG 46 -2.754 -13.371 0.334 350 2HH2 ARG 46 2HH2 ARG 46 -3.902 -14.456 1.064 351 H HIS 47 H HIS 47 -3.001 -5.606 -0.147 352 HA HIS 47 HA HIS 47 -5.694 -4.473 -0.320 353 1HB HIS 47 1HB HIS 47 -3.249 -2.967 0.642 354 2HB HIS 47 2HB HIS 47 -4.696 -2.168 0.049 355 HD1 HIS 47 HD1 HIS 47 -6.660 -1.949 1.648 356 HD2 HIS 47 HD2 HIS 47 -3.557 -4.283 3.150 357 HE1 HIS 47 HE1 HIS 47 -7.162 -2.260 4.094 358 HE2 HIS 47 HE2 HIS 47 -5.276 -3.677 4.990 359 H ASP 48 H ASP 48 -5.699 -2.639 -1.974 360 HA ASP 48 HA ASP 48 -4.304 -3.366 -4.349 361 1HB ASP 48 1HB ASP 48 -5.836 -0.854 -3.639 362 2HB ASP 48 2HB ASP 48 -5.150 -1.153 -5.228 363 H LEU 49 H LEU 49 -2.970 -1.638 -5.564 364 HA LEU 49 HA LEU 49 -0.601 -1.158 -4.157 365 1HB LEU 49 1HB LEU 49 -0.710 -1.330 -6.598 366 2HB LEU 49 2HB LEU 49 -1.606 0.172 -6.677 367 HG LEU 49 HG LEU 49 0.361 1.369 -5.765 368 1HD1 LEU 49 1HD1 LEU 49 2.517 0.229 -5.671 369 2HD1 LEU 49 2HD1 LEU 49 1.731 -1.303 -6.052 370 3HD1 LEU 49 3HD1 LEU 49 1.370 -0.480 -4.534 371 1HD2 LEU 49 1HD2 LEU 49 1.705 1.241 -7.789 372 2HD2 LEU 49 2HD2 LEU 49 -0.014 1.215 -8.179 373 3HD2 LEU 49 3HD2 LEU 49 0.925 -0.276 -8.228 374 H GLN 50 H GLN 50 -3.027 1.197 -5.265 375 HA GLN 50 HA GLN 50 -1.855 3.441 -4.029 376 1HB GLN 50 1HB GLN 50 -3.488 3.561 -5.874 377 2HB GLN 50 2HB GLN 50 -4.743 2.980 -4.790 378 1HG GLN 50 1HG GLN 50 -4.457 4.987 -3.411 379 2HG GLN 50 2HG GLN 50 -3.238 5.572 -4.543 380 1HE2 GLN 50 1HE2 GLN 50 -6.103 3.826 -5.507 381 2HE2 GLN 50 2HE2 GLN 50 -6.872 5.149 -6.315 382 H SER 51 H SER 51 -4.211 1.098 -2.917 383 HA SER 51 HA SER 51 -5.046 2.400 -0.574 384 1HB SER 51 1HB SER 51 -6.220 0.455 -1.519 385 2HB SER 51 2HB SER 51 -4.833 -0.570 -1.158 386 HG SER 51 HG SER 51 -6.741 0.548 0.568 387 H SER 52 H SER 52 -2.499 -0.039 -1.088 388 HA SER 52 HA SER 52 -1.630 -0.180 1.575 389 1HB SER 52 1HB SER 52 -0.005 -0.672 -0.932 390 2HB SER 52 2HB SER 52 0.347 -1.288 0.682 391 HG SER 52 HG SER 52 -1.653 -2.056 -1.131 392 H LEU 53 H LEU 53 -0.594 1.857 -1.117 393 HA LEU 53 HA LEU 53 1.647 3.043 0.043 394 1HB LEU 53 1HB LEU 53 -0.340 4.170 -1.924 395 2HB LEU 53 2HB LEU 53 1.183 4.937 -1.521 396 HG LEU 53 HG LEU 53 0.931 2.201 -2.769 397 1HD1 LEU 53 1HD1 LEU 53 1.628 4.858 -4.013 398 2HD1 LEU 53 2HD1 LEU 53 0.147 3.939 -4.287 399 3HD1 LEU 53 3HD1 LEU 53 1.699 3.291 -4.819 400 1HD2 LEU 53 1HD2 LEU 53 3.314 3.990 -2.320 401 2HD2 LEU 53 2HD2 LEU 53 3.327 2.442 -3.166 402 3HD2 LEU 53 3HD2 LEU 53 2.953 2.505 -1.442 403 H ARG 54 H ARG 54 -1.762 4.031 0.181 404 HA ARG 54 HA ARG 54 -1.255 6.477 1.518 405 1HB ARG 54 1HB ARG 54 -3.327 5.984 0.233 406 2HB ARG 54 2HB ARG 54 -3.815 4.877 1.508 407 1HG ARG 54 1HG ARG 54 -3.926 6.685 3.100 408 2HG ARG 54 2HG ARG 54 -3.301 7.816 1.900 409 1HD ARG 54 1HD ARG 54 -5.675 8.094 2.039 410 2HD ARG 54 2HD ARG 54 -5.289 7.337 0.494 411 HE ARG 54 HE ARG 54 -6.189 5.731 2.797 412 1HH1 ARG 54 1HH1 ARG 54 -6.584 6.821 -0.506 413 2HH1 ARG 54 2HH1 ARG 54 -7.847 5.686 -0.875 414 1HH2 ARG 54 1HH2 ARG 54 -7.833 4.238 2.333 415 2HH2 ARG 54 2HH2 ARG 54 -8.538 4.180 0.744 416 H ILE 55 H ILE 55 -2.281 3.283 2.677 417 HA ILE 55 HA ILE 55 -2.719 4.002 5.350 418 HB ILE 55 HB ILE 55 -1.843 1.309 4.293 419 1HG1 ILE 55 1HG1 ILE 55 -3.843 2.127 3.136 420 2HG1 ILE 55 2HG1 ILE 55 -4.244 0.780 4.195 421 1HG2 ILE 55 1HG2 ILE 55 -1.632 1.488 6.718 422 2HG2 ILE 55 2HG2 ILE 55 -2.939 0.392 6.271 423 3HG2 ILE 55 3HG2 ILE 55 -3.309 2.024 6.829 424 1HD1 ILE 55 1HD1 ILE 55 -5.108 2.356 5.855 425 2HD1 ILE 55 2HD1 ILE 55 -5.935 2.506 4.305 426 3HD1 ILE 55 3HD1 ILE 55 -4.722 3.694 4.775 427 H LEU 56 H LEU 56 0.220 3.255 3.627 428 HA LEU 56 HA LEU 56 1.767 2.876 6.038 429 1HB LEU 56 1HB LEU 56 2.074 1.740 3.738 430 2HB LEU 56 2HB LEU 56 2.883 3.220 3.270 431 HG LEU 56 HG LEU 56 3.766 1.541 5.619 432 1HD1 LEU 56 1HD1 LEU 56 4.769 1.487 2.774 433 2HD1 LEU 56 2HD1 LEU 56 3.890 0.197 3.596 434 3HD1 LEU 56 3HD1 LEU 56 5.503 0.651 4.143 435 1HD2 LEU 56 1HD2 LEU 56 5.190 3.667 4.013 436 2HD2 LEU 56 2HD2 LEU 56 5.874 2.745 5.353 437 3HD2 LEU 56 3HD2 LEU 56 4.540 3.863 5.641 438 H LEU 57 H LEU 57 1.952 5.220 3.317 439 HA LEU 57 HA LEU 57 4.003 6.679 4.644 440 1HB LEU 57 1HB LEU 57 2.443 7.147 2.136 441 2HB LEU 57 2HB LEU 57 3.511 8.386 2.764 442 HG LEU 57 HG LEU 57 5.350 6.610 2.705 443 1HD1 LEU 57 1HD1 LEU 57 3.945 4.653 2.490 444 2HD1 LEU 57 2HD1 LEU 57 5.032 4.793 1.104 445 3HD1 LEU 57 3HD1 LEU 57 3.331 5.239 0.943 446 1HD2 LEU 57 1HD2 LEU 57 5.809 7.007 0.352 447 2HD2 LEU 57 2HD2 LEU 57 5.216 8.475 1.129 448 3HD2 LEU 57 3HD2 LEU 57 4.143 7.525 0.101 449 H GLN 58 H GLN 58 0.520 7.125 4.449 450 HA GLN 58 HA GLN 58 0.206 9.724 5.256 451 1HB GLN 58 1HB GLN 58 -1.648 8.156 4.769 452 2HB GLN 58 2HB GLN 58 -1.365 7.369 6.314 453 1HG GLN 58 1HG GLN 58 -1.869 9.513 7.444 454 2HG GLN 58 2HG GLN 58 -2.279 10.200 5.871 455 1HE2 GLN 58 1HE2 GLN 58 -3.228 8.004 8.383 456 2HE2 GLN 58 2HE2 GLN 58 -4.844 7.721 7.810 457 H GLY 59 H GLY 59 0.890 6.934 7.338 458 1HA GLY 59 1HA GLY 59 0.676 8.348 9.786 459 2HA GLY 59 2HA GLY 59 1.457 6.791 9.561 460 H THR 60 H THR 60 3.298 7.944 7.524 461 HA THR 60 HA THR 60 5.232 8.968 9.440 462 HB THR 60 HB THR 60 6.828 8.691 7.459 463 HG1 THR 60 HG1 THR 60 4.908 8.536 5.967 464 1HG2 THR 60 1HG2 THR 60 6.736 7.115 9.317 465 2HG2 THR 60 2HG2 THR 60 6.963 6.256 7.794 466 3HG2 THR 60 3HG2 THR 60 5.376 6.283 8.562 467 H GLY 61 H GLY 61 2.972 10.586 8.065 468 1HA GLY 61 1HA GLY 61 2.691 12.770 7.471 469 2HA GLY 61 2HA GLY 61 4.254 13.041 8.216 470 H LEU 62 H LEU 62 3.497 11.146 5.311 471 HA LEU 62 HA LEU 62 4.994 13.140 3.745 472 1HB LEU 62 1HB LEU 62 5.238 10.135 3.521 473 2HB LEU 62 2HB LEU 62 5.961 11.288 2.413 474 HG LEU 62 HG LEU 62 6.625 11.088 5.352 475 1HD1 LEU 62 1HD1 LEU 62 8.153 10.137 2.935 476 2HD1 LEU 62 2HD1 LEU 62 7.375 9.114 4.141 477 3HD1 LEU 62 3HD1 LEU 62 8.743 10.127 4.595 478 1HD2 LEU 62 1HD2 LEU 62 8.471 12.583 4.793 479 2HD2 LEU 62 2HD2 LEU 62 6.918 13.332 4.423 480 3HD2 LEU 62 3HD2 LEU 62 7.907 12.667 3.124 481 H ARG 63 H ARG 63 4.577 12.902 1.355 482 HA ARG 63 HA ARG 63 1.754 12.158 0.950 483 1HB ARG 63 1HB ARG 63 2.044 14.569 0.734 484 2HB ARG 63 2HB ARG 63 3.357 14.333 -0.415 485 1HG ARG 63 1HG ARG 63 1.762 13.245 -1.960 486 2HG ARG 63 2HG ARG 63 0.462 13.609 -0.828 487 1HD ARG 63 1HD ARG 63 0.831 15.976 -1.103 488 2HD ARG 63 2HD ARG 63 2.241 15.672 -2.118 489 HE ARG 63 HE ARG 63 0.282 14.377 -3.444 490 1HH1 ARG 63 1HH1 ARG 63 0.514 17.640 -2.189 491 2HH1 ARG 63 2HH1 ARG 63 -0.553 18.307 -3.389 492 1HH2 ARG 63 1HH2 ARG 63 -1.062 15.266 -5.060 493 2HH2 ARG 63 2HH2 ARG 63 -1.439 16.963 -5.016 494 H TYR 64 H TYR 64 1.364 10.619 -0.484 495 HA TYR 64 HA TYR 64 3.572 9.761 -2.207 496 1HB TYR 64 1HB TYR 64 2.568 7.614 -2.341 497 2HB TYR 64 2HB TYR 64 2.473 8.093 -0.655 498 HD1 TYR 64 HD1 TYR 64 0.221 9.058 0.168 499 HD2 TYR 64 HD2 TYR 64 0.667 6.916 -3.482 500 HE1 TYR 64 HE1 TYR 64 -2.195 8.595 0.145 501 HE2 TYR 64 HE2 TYR 64 -1.744 6.449 -3.513 502 HH TYR 64 HH TYR 64 -3.602 6.305 -1.943 503 H GLN 65 H GLN 65 3.550 10.487 -4.220 504 HA GLN 65 HA GLN 65 0.952 10.866 -5.532 505 1HB GLN 65 1HB GLN 65 2.488 12.762 -5.668 506 2HB GLN 65 2HB GLN 65 3.721 11.733 -6.383 507 1HG GLN 65 1HG GLN 65 2.468 11.466 -8.375 508 2HG GLN 65 2HG GLN 65 1.038 12.198 -7.649 509 1HE2 GLN 65 1HE2 GLN 65 0.930 14.412 -7.407 510 2HE2 GLN 65 2HE2 GLN 65 2.009 15.494 -8.224 511 H ILE 66 H ILE 66 0.220 9.137 -6.548 512 HA ILE 66 HA ILE 66 2.140 7.196 -7.603 513 HB ILE 66 HB ILE 66 0.601 6.189 -6.076 514 1HG1 ILE 66 1HG1 ILE 66 -0.239 5.537 -8.909 515 2HG1 ILE 66 2HG1 ILE 66 1.154 4.867 -8.069 516 1HG2 ILE 66 1HG2 ILE 66 -1.155 7.871 -6.126 517 2HG2 ILE 66 2HG2 ILE 66 -1.822 6.255 -6.361 518 3HG2 ILE 66 3HG2 ILE 66 -1.633 7.341 -7.739 519 1HD1 ILE 66 1HD1 ILE 66 -0.694 3.298 -8.107 520 2HD1 ILE 66 2HD1 ILE 66 -1.727 4.476 -7.295 521 3HD1 ILE 66 3HD1 ILE 66 -0.331 3.801 -6.455 522 H ASP 67 H ASP 67 2.466 7.066 -9.711 523 HA ASP 67 HA ASP 67 0.343 7.905 -11.559 524 1HB ASP 67 1HB ASP 67 2.063 9.747 -11.149 525 2HB ASP 67 2HB ASP 67 3.238 8.698 -11.939 526 H GLY 68 H GLY 68 -0.099 6.056 -12.593 527 1HA GLY 68 1HA GLY 68 0.177 4.071 -13.714 528 2HA GLY 68 2HA GLY 68 1.773 4.658 -14.163 529 H ASN 69 H ASN 69 3.472 3.618 -13.378 530 HA ASN 69 HA ASN 69 3.060 1.816 -11.074 531 1HB ASN 69 1HB ASN 69 4.921 1.565 -13.443 532 2HB ASN 69 2HB ASN 69 5.086 0.581 -11.994 533 1HD2 ASN 69 1HD2 ASN 69 3.592 -1.031 -11.578 534 2HD2 ASN 69 2HD2 ASN 69 2.462 -1.580 -12.769 535 H THR 70 H THR 70 4.076 4.731 -11.660 536 HA THR 70 HA THR 70 6.600 4.553 -10.165 537 HB THR 70 HB THR 70 5.522 6.820 -11.859 538 HG1 THR 70 HG1 THR 70 7.855 5.418 -12.530 539 1HG2 THR 70 1HG2 THR 70 8.224 6.483 -10.540 540 2HG2 THR 70 2HG2 THR 70 6.970 7.619 -10.046 541 3HG2 THR 70 3HG2 THR 70 7.756 7.803 -11.613 542 H VAL 71 H VAL 71 6.721 5.378 -8.168 543 HA VAL 71 HA VAL 71 4.456 6.998 -7.199 544 HB VAL 71 HB VAL 71 6.169 5.140 -5.532 545 1HG1 VAL 71 1HG1 VAL 71 5.273 7.017 -4.276 546 2HG1 VAL 71 2HG1 VAL 71 4.463 5.520 -3.806 547 3HG1 VAL 71 3HG1 VAL 71 3.649 6.665 -4.874 548 1HG2 VAL 71 1HG2 VAL 71 4.173 3.695 -5.409 549 2HG2 VAL 71 2HG2 VAL 71 4.810 3.824 -7.048 550 3HG2 VAL 71 3HG2 VAL 71 3.371 4.732 -6.589 551 H THR 72 H THR 72 4.971 8.979 -6.543 552 HA THR 72 HA THR 72 7.815 9.606 -6.109 553 HB THR 72 HB THR 72 5.590 11.550 -6.770 554 HG1 THR 72 HG1 THR 72 6.763 9.741 -8.355 555 1HG2 THR 72 1HG2 THR 72 8.597 11.808 -6.943 556 2HG2 THR 72 2HG2 THR 72 7.579 12.521 -5.691 557 3HG2 THR 72 3HG2 THR 72 7.419 13.051 -7.365 558 H VAL 73 H VAL 73 8.361 9.842 -4.047 559 HA VAL 73 HA VAL 73 6.333 10.432 -2.042 560 HB VAL 73 HB VAL 73 9.289 9.875 -1.689 561 1HG1 VAL 73 1HG1 VAL 73 8.369 11.126 0.177 562 2HG1 VAL 73 2HG1 VAL 73 8.701 9.464 0.661 563 3HG1 VAL 73 3HG1 VAL 73 7.045 9.970 0.327 564 1HG2 VAL 73 1HG2 VAL 73 8.131 7.959 -2.651 565 2HG2 VAL 73 2HG2 VAL 73 6.920 8.033 -1.373 566 3HG2 VAL 73 3HG2 VAL 73 8.592 7.636 -0.979 567 H THR 74 H THR 74 5.867 12.449 -1.552 568 HA THR 74 HA THR 74 7.901 14.535 -1.970 569 HB THR 74 HB THR 74 4.896 14.855 -1.767 570 HG1 THR 74 HG1 THR 74 6.355 13.920 -3.789 571 1HG2 THR 74 1HG2 THR 74 5.303 17.081 -2.678 572 2HG2 THR 74 2HG2 THR 74 7.038 16.764 -2.711 573 3HG2 THR 74 3HG2 THR 74 6.188 16.859 -1.169 574 H ALA 75 H ALA 75 8.552 15.751 -0.254 575 HA ALA 75 HA ALA 75 7.772 15.013 2.381 576 1HB ALA 75 1HB ALA 75 9.292 16.742 3.128 577 2HB ALA 75 2HB ALA 75 9.371 17.419 1.504 578 3HB ALA 75 3HB ALA 75 10.044 15.821 1.827 579 H SER 76 H SER 76 6.212 15.813 3.605 580 HA SER 76 HA SER 76 4.198 17.453 2.549 581 1HB SER 76 1HB SER 76 4.729 16.755 5.444 582 2HB SER 76 2HB SER 76 3.197 17.314 4.770 583 HG SER 76 HG SER 76 4.176 14.824 4.877 584 H ALA 77 H ALA 77 3.836 19.558 2.584 585 HA ALA 77 HA ALA 77 4.714 21.432 4.465 586 1HB ALA 77 1HB ALA 77 6.479 22.601 3.241 587 2HB ALA 77 2HB ALA 77 6.447 21.358 1.988 588 3HB ALA 77 3HB ALA 77 6.964 20.949 3.626 589 H ALA 78 H ALA 78 2.503 20.647 2.600 590 HA ALA 78 HA ALA 78 2.269 23.139 1.040 591 1HB ALA 78 1HB ALA 78 0.832 20.518 0.644 592 2HB ALA 78 2HB ALA 78 2.225 21.079 -0.280 593 3HB ALA 78 3HB ALA 78 0.694 21.948 -0.379 594 H ALA 79 H ALA 79 1.325 21.991 3.925 595 HA ALA 79 HA ALA 79 -0.293 22.513 5.428 596 1HB ALA 79 1HB ALA 79 -1.012 24.680 3.457 597 2HB ALA 79 2HB ALA 79 0.158 24.811 4.771 598 3HB ALA 79 3HB ALA 79 -1.554 24.584 5.132 599 H LYS 80 H LYS 80 -0.804 20.769 3.024 600 HA LYS 80 HA LYS 80 -3.394 19.930 3.755 601 1HB LYS 80 1HB LYS 80 -4.504 20.242 1.545 602 2HB LYS 80 2HB LYS 80 -4.210 21.755 2.386 603 1HG LYS 80 1HG LYS 80 -2.427 22.323 0.940 604 2HG LYS 80 2HG LYS 80 -2.374 20.698 0.258 605 1HD LYS 80 1HD LYS 80 -4.831 22.412 0.022 606 2HD LYS 80 2HD LYS 80 -3.496 22.569 -1.118 607 1HE LYS 80 1HE LYS 80 -5.133 21.086 -2.054 608 2HE LYS 80 2HE LYS 80 -3.704 20.151 -1.625 609 1HZ LYS 80 1HZ LYS 80 -5.822 19.068 -1.022 610 2HZ LYS 80 2HZ LYS 80 -6.146 20.337 0.059 611 3HZ LYS 80 3HZ LYS 80 -4.812 19.329 0.313 612 H ASP 81 H ASP 81 -1.346 18.505 3.971 613 HA ASP 81 HA ASP 81 -0.349 17.429 1.467 614 1HB ASP 81 1HB ASP 81 0.472 16.666 4.271 615 2HB ASP 81 2HB ASP 81 1.392 16.444 2.788 616 H GLY 82 H GLY 82 -1.546 15.895 0.543 617 1HA GLY 82 1HA GLY 82 -1.808 13.458 0.580 618 2HA GLY 82 2HA GLY 82 -2.370 13.624 2.239 Start of MODEL 14 1 1H SER 1 1H SER 1 -9.070 -3.779 -7.613 2 2H SER 1 2H SER 1 -7.780 -4.639 -8.295 3 3H SER 1 3H SER 1 -7.726 -4.185 -6.658 4 HA SER 1 HA SER 1 -9.577 -5.614 -6.156 5 1HB SER 1 1HB SER 1 -9.353 -6.503 -9.046 6 2HB SER 1 2HB SER 1 -10.478 -7.126 -7.836 7 HG SER 1 HG SER 1 -11.382 -4.994 -7.724 8 H GLN 2 H GLN 2 -7.027 -6.441 -8.501 9 HA GLN 2 HA GLN 2 -6.289 -8.890 -7.377 10 1HB GLN 2 1HB GLN 2 -5.517 -8.113 -9.585 11 2HB GLN 2 2HB GLN 2 -4.547 -6.869 -8.810 12 1HG GLN 2 1HG GLN 2 -3.150 -8.715 -9.474 13 2HG GLN 2 2HG GLN 2 -3.210 -8.612 -7.715 14 1HE2 GLN 2 1HE2 GLN 2 -4.139 -10.432 -10.515 15 2HE2 GLN 2 2HE2 GLN 2 -4.629 -11.862 -9.674 16 H GLU 3 H GLU 3 -5.594 -9.284 -5.411 17 HA GLU 3 HA GLU 3 -4.300 -7.139 -3.903 18 1HB GLU 3 1HB GLU 3 -5.651 -9.693 -3.023 19 2HB GLU 3 2HB GLU 3 -4.776 -8.632 -1.925 20 1HG GLU 3 1HG GLU 3 -6.318 -6.839 -2.347 21 2HG GLU 3 2HG GLU 3 -7.141 -7.789 -3.586 22 H TRP 4 H TRP 4 -2.433 -7.578 -2.677 23 HA TRP 4 HA TRP 4 -0.887 -9.913 -3.575 24 1HB TRP 4 1HB TRP 4 0.115 -7.072 -3.253 25 2HB TRP 4 2HB TRP 4 1.143 -8.467 -3.560 26 HD1 TRP 4 HD1 TRP 4 0.856 -9.651 -6.015 27 HE1 TRP 4 HE1 TRP 4 0.203 -8.618 -8.279 28 HE3 TRP 4 HE3 TRP 4 -1.274 -5.320 -4.339 29 HZ2 TRP 4 HZ2 TRP 4 -1.051 -6.266 -9.229 30 HZ3 TRP 4 HZ3 TRP 4 -2.174 -3.732 -5.984 31 HH2 TRP 4 HH2 TRP 4 -2.064 -4.199 -8.381 32 H THR 5 H THR 5 0.638 -10.698 -2.047 33 HA THR 5 HA THR 5 0.046 -9.953 0.712 34 HB THR 5 HB THR 5 1.943 -12.096 -0.295 35 HG1 THR 5 HG1 THR 5 0.189 -13.164 -0.793 36 1HG2 THR 5 1HG2 THR 5 1.637 -13.054 1.945 37 2HG2 THR 5 2HG2 THR 5 0.599 -11.696 2.382 38 3HG2 THR 5 3HG2 THR 5 2.304 -11.424 2.029 39 H LEU 6 H LEU 6 1.042 -8.067 1.150 40 HA LEU 6 HA LEU 6 3.715 -7.611 0.069 41 1HB LEU 6 1HB LEU 6 1.771 -5.722 1.399 42 2HB LEU 6 2HB LEU 6 3.347 -5.263 0.778 43 HG LEU 6 HG LEU 6 1.029 -6.297 -0.857 44 1HD1 LEU 6 1HD1 LEU 6 2.297 -3.566 -0.721 45 2HD1 LEU 6 2HD1 LEU 6 0.727 -4.014 -0.054 46 3HD1 LEU 6 3HD1 LEU 6 0.987 -4.056 -1.798 47 1HD2 LEU 6 1HD2 LEU 6 3.772 -5.389 -1.720 48 2HD2 LEU 6 2HD2 LEU 6 2.434 -5.802 -2.793 49 3HD2 LEU 6 3HD2 LEU 6 3.157 -7.042 -1.768 50 H ASP 7 H ASP 7 5.253 -8.418 1.305 51 HA ASP 7 HA ASP 7 5.114 -8.069 4.198 52 1HB ASP 7 1HB ASP 7 7.175 -9.471 2.477 53 2HB ASP 7 2HB ASP 7 7.207 -9.396 4.236 54 H ILE 8 H ILE 8 5.465 -5.991 4.626 55 HA ILE 8 HA ILE 8 7.718 -4.643 3.311 56 HB ILE 8 HB ILE 8 5.257 -3.503 4.642 57 1HG1 ILE 8 1HG1 ILE 8 4.872 -4.467 2.412 58 2HG1 ILE 8 2HG1 ILE 8 4.691 -2.716 2.391 59 1HG2 ILE 8 1HG2 ILE 8 7.180 -2.066 5.066 60 2HG2 ILE 8 2HG2 ILE 8 6.056 -1.305 3.940 61 3HG2 ILE 8 3HG2 ILE 8 7.545 -2.034 3.339 62 1HD1 ILE 8 1HD1 ILE 8 7.115 -4.241 1.457 63 2HD1 ILE 8 2HD1 ILE 8 6.903 -2.490 1.404 64 3HD1 ILE 8 3HD1 ILE 8 5.874 -3.534 0.423 65 HA PRO 9 HA PRO 9 9.831 -5.064 7.221 66 1HB PRO 9 1HB PRO 9 11.634 -3.082 5.951 67 2HB PRO 9 2HB PRO 9 12.008 -4.664 6.644 68 1HG PRO 9 1HG PRO 9 11.997 -4.304 4.006 69 2HG PRO 9 2HG PRO 9 11.369 -5.800 4.725 70 1HD PRO 9 1HD PRO 9 9.872 -3.434 3.662 71 2HD PRO 9 2HD PRO 9 9.517 -5.166 3.477 72 H ALA 10 H ALA 10 9.951 -3.921 9.059 73 HA ALA 10 HA ALA 10 8.908 -1.184 9.075 74 1HB ALA 10 1HB ALA 10 7.837 -2.816 10.558 75 2HB ALA 10 2HB ALA 10 8.605 -1.518 11.472 76 3HB ALA 10 3HB ALA 10 9.382 -3.099 11.362 77 H GLN 11 H GLN 11 11.576 -1.920 8.197 78 HA GLN 11 HA GLN 11 13.342 -0.847 10.255 79 1HB GLN 11 1HB GLN 11 14.002 -1.886 7.487 80 2HB GLN 11 2HB GLN 11 15.145 -1.563 8.785 81 1HG GLN 11 1HG GLN 11 14.262 -3.367 10.089 82 2HG GLN 11 2HG GLN 11 12.962 -3.628 8.929 83 1HE2 GLN 11 1HE2 GLN 11 14.829 -3.179 6.662 84 2HE2 GLN 11 2HE2 GLN 11 15.733 -4.648 6.526 85 H SER 12 H SER 12 15.209 0.295 8.366 86 HA SER 12 HA SER 12 14.353 2.908 8.098 87 1HB SER 12 1HB SER 12 16.299 1.465 6.277 88 2HB SER 12 2HB SER 12 16.234 3.201 6.584 89 HG SER 12 HG SER 12 17.217 2.931 8.444 90 H MET 13 H MET 13 13.265 4.044 6.626 91 HA MET 13 HA MET 13 11.232 3.019 5.119 92 1HB MET 13 1HB MET 13 11.456 5.386 5.742 93 2HB MET 13 2HB MET 13 12.763 5.571 4.583 94 1HG MET 13 1HG MET 13 10.797 6.479 3.614 95 2HG MET 13 2HG MET 13 11.159 4.971 2.778 96 1HE MET 13 1HE MET 13 8.804 6.840 5.260 97 2HE MET 13 2HE MET 13 9.464 5.587 6.310 98 3HE MET 13 3HE MET 13 7.763 5.547 5.848 99 H ASN 14 H ASN 14 14.553 3.468 4.133 100 HA ASN 14 HA ASN 14 14.343 3.188 1.376 101 1HB ASN 14 1HB ASN 14 16.448 3.825 2.155 102 2HB ASN 14 2HB ASN 14 16.506 2.536 3.352 103 1HD2 ASN 14 1HD2 ASN 14 16.754 3.254 -0.083 104 2HD2 ASN 14 2HD2 ASN 14 17.666 1.839 -0.497 105 H SER 15 H SER 15 14.431 0.670 3.891 106 HA SER 15 HA SER 15 14.736 -1.477 2.027 107 1HB SER 15 1HB SER 15 13.661 -1.673 4.849 108 2HB SER 15 2HB SER 15 14.507 -2.911 3.918 109 HG SER 15 HG SER 15 16.384 -1.575 4.010 110 H ALA 16 H ALA 16 12.056 0.020 3.761 111 HA ALA 16 HA ALA 16 10.044 -1.804 3.054 112 1HB ALA 16 1HB ALA 16 9.740 1.138 3.613 113 2HB ALA 16 2HB ALA 16 9.843 -0.123 4.841 114 3HB ALA 16 3HB ALA 16 8.481 -0.091 3.719 115 H LEU 17 H LEU 17 10.965 1.292 1.535 116 HA LEU 17 HA LEU 17 8.950 1.152 -0.453 117 1HB LEU 17 1HB LEU 17 11.520 2.735 -0.428 118 2HB LEU 17 2HB LEU 17 10.195 2.979 -1.550 119 HG LEU 17 HG LEU 17 10.085 3.394 1.440 120 1HD1 LEU 17 1HD1 LEU 17 11.341 5.109 0.239 121 2HD1 LEU 17 2HD1 LEU 17 9.827 5.737 0.894 122 3HD1 LEU 17 3HD1 LEU 17 9.961 5.368 -0.827 123 1HD2 LEU 17 1HD2 LEU 17 7.842 4.309 1.016 124 2HD2 LEU 17 2HD2 LEU 17 7.948 2.592 0.635 125 3HD2 LEU 17 3HD2 LEU 17 7.960 3.785 -0.664 126 H GLN 18 H GLN 18 12.378 0.257 -0.462 127 HA GLN 18 HA GLN 18 12.536 -0.537 -3.146 128 1HB GLN 18 1HB GLN 18 14.484 -0.268 -1.633 129 2HB GLN 18 2HB GLN 18 13.993 -1.722 -0.775 130 1HG GLN 18 1HG GLN 18 14.298 -3.018 -2.841 131 2HG GLN 18 2HG GLN 18 14.856 -1.555 -3.652 132 1HE2 GLN 18 1HE2 GLN 18 15.615 -4.022 -1.343 133 2HE2 GLN 18 2HE2 GLN 18 17.294 -3.631 -1.175 134 H ALA 19 H ALA 19 11.437 -2.231 -0.274 135 HA ALA 19 HA ALA 19 11.122 -4.784 -1.449 136 1HB ALA 19 1HB ALA 19 9.742 -5.319 0.479 137 2HB ALA 19 2HB ALA 19 9.616 -3.607 0.887 138 3HB ALA 19 3HB ALA 19 11.176 -4.424 0.984 139 H LEU 20 H LEU 20 8.998 -1.964 -1.195 140 HA LEU 20 HA LEU 20 6.647 -3.279 -2.122 141 1HB LEU 20 1HB LEU 20 6.594 -1.177 -0.841 142 2HB LEU 20 2HB LEU 20 7.390 -0.349 -2.166 143 HG LEU 20 HG LEU 20 5.425 -0.818 -3.604 144 1HD1 LEU 20 1HD1 LEU 20 4.616 -2.826 -2.477 145 2HD1 LEU 20 2HD1 LEU 20 3.352 -1.601 -2.576 146 3HD1 LEU 20 3HD1 LEU 20 4.203 -1.869 -1.056 147 1HD2 LEU 20 1HD2 LEU 20 3.927 0.795 -2.530 148 2HD2 LEU 20 2HD2 LEU 20 5.613 1.307 -2.437 149 3HD2 LEU 20 3HD2 LEU 20 4.821 0.615 -1.021 150 H ALA 21 H ALA 21 9.310 -1.583 -3.602 151 HA ALA 21 HA ALA 21 8.213 -1.147 -6.166 152 1HB ALA 21 1HB ALA 21 10.245 -0.025 -5.339 153 2HB ALA 21 2HB ALA 21 10.509 -0.812 -6.895 154 3HB ALA 21 3HB ALA 21 11.109 -1.561 -5.414 155 H LYS 22 H LYS 22 10.263 -3.706 -4.889 156 HA LYS 22 HA LYS 22 10.297 -5.317 -7.198 157 1HB LYS 22 1HB LYS 22 11.938 -5.508 -5.395 158 2HB LYS 22 2HB LYS 22 10.684 -6.060 -4.294 159 1HG LYS 22 1HG LYS 22 10.403 -8.091 -5.544 160 2HG LYS 22 2HG LYS 22 11.521 -7.521 -6.789 161 1HD LYS 22 1HD LYS 22 13.350 -7.542 -5.222 162 2HD LYS 22 2HD LYS 22 12.259 -7.949 -3.896 163 1HE LYS 22 1HE LYS 22 12.679 -9.688 -6.318 164 2HE LYS 22 2HE LYS 22 13.584 -9.869 -4.816 165 1HZ LYS 22 1HZ LYS 22 11.495 -10.256 -3.652 166 2HZ LYS 22 2HZ LYS 22 11.718 -11.386 -4.896 167 3HZ LYS 22 3HZ LYS 22 10.631 -10.101 -5.105 168 H GLN 23 H GLN 23 8.222 -5.359 -4.318 169 HA GLN 23 HA GLN 23 6.967 -7.809 -4.856 170 1HB GLN 23 1HB GLN 23 6.629 -5.629 -2.955 171 2HB GLN 23 2HB GLN 23 5.108 -6.393 -3.391 172 1HG GLN 23 1HG GLN 23 5.905 -7.510 -1.475 173 2HG GLN 23 2HG GLN 23 6.154 -8.598 -2.836 174 1HE2 GLN 23 1HE2 GLN 23 7.656 -6.659 -0.405 175 2HE2 GLN 23 2HE2 GLN 23 9.269 -7.213 -0.662 176 H THR 24 H THR 24 5.971 -4.502 -5.754 177 HA THR 24 HA THR 24 3.652 -5.728 -7.099 178 HB THR 24 HB THR 24 2.751 -3.329 -7.128 179 HG1 THR 24 HG1 THR 24 4.345 -2.020 -6.498 180 1HG2 THR 24 1HG2 THR 24 1.851 -5.075 -5.672 181 2HG2 THR 24 2HG2 THR 24 1.892 -3.524 -4.834 182 3HG2 THR 24 3HG2 THR 24 3.113 -4.748 -4.483 183 H ASP 25 H ASP 25 6.584 -4.988 -7.935 184 HA ASP 25 HA ASP 25 7.693 -4.319 -9.800 185 1HB ASP 25 1HB ASP 25 6.312 -6.122 -10.773 186 2HB ASP 25 2HB ASP 25 5.050 -4.951 -11.141 187 H THR 26 H THR 26 7.275 -2.170 -8.526 188 HA THR 26 HA THR 26 6.208 -0.237 -10.471 189 HB THR 26 HB THR 26 5.942 0.552 -7.652 190 HG1 THR 26 HG1 THR 26 4.625 -1.722 -8.708 191 1HG2 THR 26 1HG2 THR 26 4.046 0.556 -10.003 192 2HG2 THR 26 2HG2 THR 26 5.065 1.900 -9.487 193 3HG2 THR 26 3HG2 THR 26 3.751 1.339 -8.452 194 H GLN 27 H GLN 27 7.125 1.943 -10.151 195 HA GLN 27 HA GLN 27 9.882 1.729 -9.157 196 1HB GLN 27 1HB GLN 27 9.681 2.209 -11.571 197 2HB GLN 27 2HB GLN 27 8.767 3.664 -11.197 198 1HG GLN 27 1HG GLN 27 10.684 4.589 -10.027 199 2HG GLN 27 2HG GLN 27 11.601 3.121 -10.349 200 1HE2 GLN 27 1HE2 GLN 27 13.190 4.252 -11.420 201 2HE2 GLN 27 2HE2 GLN 27 12.959 4.918 -12.999 202 H LEU 28 H LEU 28 10.467 2.920 -7.469 203 HA LEU 28 HA LEU 28 8.614 5.024 -6.575 204 1HB LEU 28 1HB LEU 28 10.176 2.996 -4.992 205 2HB LEU 28 2HB LEU 28 9.580 4.469 -4.255 206 HG LEU 28 HG LEU 28 7.259 3.768 -4.961 207 1HD1 LEU 28 1HD1 LEU 28 8.615 1.122 -5.464 208 2HD1 LEU 28 2HD1 LEU 28 7.886 2.158 -6.690 209 3HD1 LEU 28 3HD1 LEU 28 6.877 1.417 -5.449 210 1HD2 LEU 28 1HD2 LEU 28 6.999 2.191 -3.121 211 2HD2 LEU 28 2HD2 LEU 28 8.049 3.536 -2.675 212 3HD2 LEU 28 3HD2 LEU 28 8.747 1.964 -3.065 213 H LEU 29 H LEU 29 9.421 6.985 -6.493 214 HA LEU 29 HA LEU 29 12.347 7.310 -6.509 215 1HB LEU 29 1HB LEU 29 10.135 8.784 -7.830 216 2HB LEU 29 2HB LEU 29 11.474 9.748 -7.242 217 HG LEU 29 HG LEU 29 11.792 9.225 -9.585 218 1HD1 LEU 29 1HD1 LEU 29 13.782 9.381 -8.210 219 2HD1 LEU 29 2HD1 LEU 29 14.001 8.170 -9.474 220 3HD1 LEU 29 3HD1 LEU 29 13.668 7.666 -7.817 221 1HD2 LEU 29 1HD2 LEU 29 12.111 6.918 -10.342 222 2HD2 LEU 29 2HD2 LEU 29 10.480 7.189 -9.729 223 3HD2 LEU 29 3HD2 LEU 29 11.664 6.336 -8.738 224 H TYR 30 H TYR 30 13.203 7.998 -4.689 225 HA TYR 30 HA TYR 30 11.898 10.077 -3.151 226 1HB TYR 30 1HB TYR 30 11.970 8.856 -1.031 227 2HB TYR 30 2HB TYR 30 10.925 8.036 -2.181 228 HD1 TYR 30 HD1 TYR 30 11.674 5.920 -3.246 229 HD2 TYR 30 HD2 TYR 30 13.931 7.795 -0.162 230 HE1 TYR 30 HE1 TYR 30 12.893 3.819 -2.867 231 HE2 TYR 30 HE2 TYR 30 15.162 5.699 0.217 232 HH TYR 30 HH TYR 30 14.981 3.037 -1.934 233 H SER 31 H SER 31 13.310 11.137 -1.717 234 HA SER 31 HA SER 31 16.128 10.756 -2.388 235 1HB SER 31 1HB SER 31 14.915 13.005 -0.777 236 2HB SER 31 2HB SER 31 16.439 13.004 -1.667 237 HG SER 31 HG SER 31 13.795 12.990 -2.708 238 HA PRO 32 HA PRO 32 16.576 8.450 1.401 239 1HB PRO 32 1HB PRO 32 19.451 9.015 0.920 240 2HB PRO 32 2HB PRO 32 18.631 7.467 1.151 241 1HG PRO 32 1HG PRO 32 19.483 8.207 -1.262 242 2HG PRO 32 2HG PRO 32 17.941 7.353 -1.064 243 1HD PRO 32 1HD PRO 32 18.450 10.264 -1.537 244 2HD PRO 32 2HD PRO 32 17.183 9.217 -2.211 245 H GLU 33 H GLU 33 18.122 11.529 0.798 246 HA GLU 33 HA GLU 33 18.828 12.043 3.523 247 1HB GLU 33 1HB GLU 33 18.603 13.854 1.118 248 2HB GLU 33 2HB GLU 33 19.220 14.363 2.684 249 1HG GLU 33 1HG GLU 33 21.084 12.894 2.508 250 2HG GLU 33 2HG GLU 33 20.417 12.129 1.068 251 H ASP 34 H ASP 34 15.945 12.314 1.666 252 HA ASP 34 HA ASP 34 14.873 14.401 3.416 253 1HB ASP 34 1HB ASP 34 14.085 13.424 0.692 254 2HB ASP 34 2HB ASP 34 12.941 14.319 1.689 255 H ILE 35 H ILE 35 14.987 11.142 3.404 256 HA ILE 35 HA ILE 35 12.237 10.803 4.370 257 HB ILE 35 HB ILE 35 12.696 8.385 4.377 258 1HG1 ILE 35 1HG1 ILE 35 15.380 9.154 3.202 259 2HG1 ILE 35 2HG1 ILE 35 15.124 8.501 4.814 260 1HG2 ILE 35 1HG2 ILE 35 11.740 9.406 2.392 261 2HG2 ILE 35 2HG2 ILE 35 12.813 8.079 1.946 262 3HG2 ILE 35 3HG2 ILE 35 13.354 9.748 1.768 263 1HD1 ILE 35 1HD1 ILE 35 14.549 7.084 2.224 264 2HD1 ILE 35 2HD1 ILE 35 14.303 6.422 3.840 265 3HD1 ILE 35 3HD1 ILE 35 15.932 6.802 3.282 266 H GLY 36 H GLY 36 15.018 11.827 5.571 267 1HA GLY 36 1HA GLY 36 15.684 12.256 7.712 268 2HA GLY 36 2HA GLY 36 14.105 11.693 8.219 269 H GLY 37 H GLY 37 15.743 9.295 6.503 270 1HA GLY 37 1HA GLY 37 16.603 7.268 7.155 271 2HA GLY 37 2HA GLY 37 17.459 8.179 8.392 272 H LEU 38 H LEU 38 13.964 7.851 8.053 273 HA LEU 38 HA LEU 38 13.889 6.875 10.809 274 1HB LEU 38 1HB LEU 38 11.491 7.526 10.720 275 2HB LEU 38 2HB LEU 38 12.603 8.855 10.476 276 HG LEU 38 HG LEU 38 12.162 8.357 7.931 277 1HD1 LEU 38 1HD1 LEU 38 10.826 6.352 8.280 278 2HD1 LEU 38 2HD1 LEU 38 9.876 7.621 7.507 279 3HD1 LEU 38 3HD1 LEU 38 9.662 7.283 9.224 280 1HD2 LEU 38 1HD2 LEU 38 10.139 9.744 9.682 281 2HD2 LEU 38 2HD2 LEU 38 10.388 10.011 7.955 282 3HD2 LEU 38 3HD2 LEU 38 11.653 10.441 9.105 283 H ARG 39 H ARG 39 12.087 5.307 11.321 284 HA ARG 39 HA ARG 39 12.284 3.105 9.426 285 1HB ARG 39 1HB ARG 39 11.393 1.699 11.203 286 2HB ARG 39 2HB ARG 39 12.757 2.635 11.789 287 1HG ARG 39 1HG ARG 39 11.217 4.197 12.873 288 2HG ARG 39 2HG ARG 39 9.850 3.236 12.296 289 1HD ARG 39 1HD ARG 39 10.833 1.280 13.511 290 2HD ARG 39 2HD ARG 39 12.014 2.389 14.211 291 HE ARG 39 HE ARG 39 9.429 3.389 14.674 292 1HH1 ARG 39 1HH1 ARG 39 11.586 0.833 15.721 293 2HH1 ARG 39 2HH1 ARG 39 10.772 0.606 17.240 294 1HH2 ARG 39 1HH2 ARG 39 8.399 3.130 16.699 295 2HH2 ARG 39 2HH2 ARG 39 8.973 1.907 17.798 296 H SER 40 H SER 40 10.578 2.095 8.492 297 HA SER 40 HA SER 40 8.348 3.835 7.944 298 1HB SER 40 1HB SER 40 7.802 1.854 6.358 299 2HB SER 40 2HB SER 40 9.245 2.818 6.037 300 HG SER 40 HG SER 40 9.020 0.181 6.779 301 H SER 41 H SER 41 6.150 3.106 7.908 302 HA SER 41 HA SER 41 5.435 1.470 10.198 303 1HB SER 41 1HB SER 41 4.297 3.663 9.752 304 2HB SER 41 2HB SER 41 3.653 2.983 8.261 305 HG SER 41 HG SER 41 2.951 1.250 10.021 306 H ALA 42 H ALA 42 5.535 -0.631 9.814 307 HA ALA 42 HA ALA 42 5.668 -1.830 7.315 308 1HB ALA 42 1HB ALA 42 5.491 -3.939 8.477 309 2HB ALA 42 2HB ALA 42 4.854 -3.129 9.909 310 3HB ALA 42 3HB ALA 42 6.514 -2.830 9.390 311 H LEU 43 H LEU 43 4.160 -2.037 5.818 312 HA LEU 43 HA LEU 43 1.384 -2.534 6.635 313 1HB LEU 43 1HB LEU 43 2.156 -0.696 4.904 314 2HB LEU 43 2HB LEU 43 2.224 -2.050 3.794 315 HG LEU 43 HG LEU 43 0.109 -0.817 3.602 316 1HD1 LEU 43 1HD1 LEU 43 0.072 -3.174 3.063 317 2HD1 LEU 43 2HD1 LEU 43 -1.443 -2.702 3.833 318 3HD1 LEU 43 3HD1 LEU 43 -0.220 -3.580 4.754 319 1HD2 LEU 43 1HD2 LEU 43 -1.526 -0.901 5.436 320 2HD2 LEU 43 2HD2 LEU 43 -0.081 0.017 5.861 321 3HD2 LEU 43 3HD2 LEU 43 -0.296 -1.621 6.477 322 H LYS 44 H LYS 44 1.711 -4.665 7.214 323 HA LYS 44 HA LYS 44 2.703 -6.502 5.142 324 1HB LYS 44 1HB LYS 44 3.954 -6.378 7.291 325 2HB LYS 44 2HB LYS 44 2.504 -6.890 8.136 326 1HG LYS 44 1HG LYS 44 2.563 -9.017 6.888 327 2HG LYS 44 2HG LYS 44 4.078 -8.498 6.137 328 1HD LYS 44 1HD LYS 44 5.111 -8.313 8.347 329 2HD LYS 44 2HD LYS 44 3.601 -8.827 9.100 330 1HE LYS 44 1HE LYS 44 5.064 -10.709 9.017 331 2HE LYS 44 2HE LYS 44 3.785 -10.965 7.831 332 1HZ LYS 44 1HZ LYS 44 5.242 -10.488 6.071 333 2HZ LYS 44 2HZ LYS 44 6.128 -11.489 7.113 334 3HZ LYS 44 3HZ LYS 44 6.416 -9.817 7.096 335 H GLY 45 H GLY 45 0.924 -7.171 4.028 336 1HA GLY 45 1HA GLY 45 -0.837 -9.040 5.102 337 2HA GLY 45 2HA GLY 45 -1.647 -7.484 5.180 338 H ARG 46 H ARG 46 -3.195 -8.514 3.738 339 HA ARG 46 HA ARG 46 -2.239 -8.718 0.957 340 1HB ARG 46 1HB ARG 46 -3.480 -10.674 2.210 341 2HB ARG 46 2HB ARG 46 -4.918 -9.729 1.847 342 1HG ARG 46 1HG ARG 46 -4.223 -9.772 -0.561 343 2HG ARG 46 2HG ARG 46 -2.962 -10.917 -0.104 344 1HD ARG 46 1HD ARG 46 -4.632 -12.352 -0.743 345 2HD ARG 46 2HD ARG 46 -4.961 -12.215 0.983 346 HE ARG 46 HE ARG 46 -6.416 -10.239 -0.416 347 1HH1 ARG 46 1HH1 ARG 46 -6.396 -13.682 0.232 348 2HH1 ARG 46 2HH1 ARG 46 -8.074 -13.902 -0.177 349 1HH2 ARG 46 1HH2 ARG 46 -8.611 -10.518 -0.987 350 2HH2 ARG 46 2HH2 ARG 46 -9.328 -12.107 -0.901 351 H HIS 47 H HIS 47 -2.446 -6.678 0.178 352 HA HIS 47 HA HIS 47 -5.141 -5.523 0.201 353 1HB HIS 47 1HB HIS 47 -2.631 -4.174 1.157 354 2HB HIS 47 2HB HIS 47 -3.949 -3.231 0.476 355 HD1 HIS 47 HD1 HIS 47 -5.757 -2.562 2.034 356 HD2 HIS 47 HD2 HIS 47 -3.440 -5.664 3.558 357 HE1 HIS 47 HE1 HIS 47 -6.530 -2.888 4.404 358 HE2 HIS 47 HE2 HIS 47 -5.014 -4.660 5.356 359 H ASP 48 H ASP 48 -5.362 -3.740 -1.377 360 HA ASP 48 HA ASP 48 -4.089 -4.272 -3.883 361 1HB ASP 48 1HB ASP 48 -5.812 -1.950 -2.981 362 2HB ASP 48 2HB ASP 48 -5.242 -2.172 -4.628 363 H LEU 49 H LEU 49 -3.030 -2.366 -5.098 364 HA LEU 49 HA LEU 49 -0.659 -1.682 -3.767 365 1HB LEU 49 1HB LEU 49 -0.842 -1.824 -6.201 366 2HB LEU 49 2HB LEU 49 -1.890 -0.418 -6.216 367 HG LEU 49 HG LEU 49 -0.033 0.972 -5.374 368 1HD1 LEU 49 1HD1 LEU 49 1.203 -0.723 -4.144 369 2HD1 LEU 49 2HD1 LEU 49 2.245 0.040 -5.345 370 3HD1 LEU 49 3HD1 LEU 49 1.581 -1.565 -5.647 371 1HD2 LEU 49 1HD2 LEU 49 1.295 0.959 -7.417 372 2HD2 LEU 49 2HD2 LEU 49 -0.419 0.770 -7.780 373 3HD2 LEU 49 3HD2 LEU 49 0.653 -0.629 -7.835 374 H GLN 50 H GLN 50 -3.359 0.458 -4.717 375 HA GLN 50 HA GLN 50 -2.310 2.728 -3.394 376 1HB GLN 50 1HB GLN 50 -5.035 2.083 -4.475 377 2HB GLN 50 2HB GLN 50 -4.708 3.594 -3.634 378 1HG GLN 50 1HG GLN 50 -2.911 4.059 -5.272 379 2HG GLN 50 2HG GLN 50 -3.384 2.605 -6.148 380 1HE2 GLN 50 1HE2 GLN 50 -6.213 2.980 -5.620 381 2HE2 GLN 50 2HE2 GLN 50 -6.733 4.273 -6.646 382 H SER 51 H SER 51 -4.416 0.143 -2.307 383 HA SER 51 HA SER 51 -5.416 1.352 0.011 384 1HB SER 51 1HB SER 51 -6.197 -0.821 -0.958 385 2HB SER 51 2HB SER 51 -4.711 -1.570 -0.379 386 HG SER 51 HG SER 51 -6.981 -0.818 0.998 387 H SER 52 H SER 52 -2.566 -0.705 -0.470 388 HA SER 52 HA SER 52 -1.559 -0.534 2.137 389 1HB SER 52 1HB SER 52 0.029 -0.885 -0.413 390 2HB SER 52 2HB SER 52 0.483 -1.422 1.206 391 HG SER 52 HG SER 52 -1.309 -2.528 -0.605 392 H LEU 53 H LEU 53 -0.880 1.408 -0.757 393 HA LEU 53 HA LEU 53 1.114 3.051 0.249 394 1HB LEU 53 1HB LEU 53 -1.003 3.428 -1.839 395 2HB LEU 53 2HB LEU 53 0.089 4.741 -1.435 396 HG LEU 53 HG LEU 53 1.223 2.070 -2.173 397 1HD1 LEU 53 1HD1 LEU 53 1.268 2.780 -4.521 398 2HD1 LEU 53 2HD1 LEU 53 0.280 4.178 -4.110 399 3HD1 LEU 53 3HD1 LEU 53 -0.381 2.553 -3.942 400 1HD2 LEU 53 1HD2 LEU 53 2.655 3.877 -1.281 401 2HD2 LEU 53 2HD2 LEU 53 2.149 4.906 -2.627 402 3HD2 LEU 53 3HD2 LEU 53 3.070 3.431 -2.937 403 H ARG 54 H ARG 54 -2.409 3.556 0.319 404 HA ARG 54 HA ARG 54 -2.346 6.115 1.454 405 1HB ARG 54 1HB ARG 54 -4.353 5.239 0.406 406 2HB ARG 54 2HB ARG 54 -4.477 3.980 1.628 407 1HG ARG 54 1HG ARG 54 -4.814 5.712 3.343 408 2HG ARG 54 2HG ARG 54 -4.762 6.942 2.079 409 1HD ARG 54 1HD ARG 54 -6.731 6.044 1.044 410 2HD ARG 54 2HD ARG 54 -6.730 4.663 2.143 411 HE ARG 54 HE ARG 54 -6.850 7.071 3.614 412 1HH1 ARG 54 1HH1 ARG 54 -8.828 5.069 1.533 413 2HH1 ARG 54 2HH1 ARG 54 -10.320 5.521 2.310 414 1HH2 ARG 54 1HH2 ARG 54 -8.799 7.667 4.644 415 2HH2 ARG 54 2HH2 ARG 54 -10.301 6.994 4.079 416 H ILE 55 H ILE 55 -2.648 2.932 3.016 417 HA ILE 55 HA ILE 55 -2.986 4.055 5.626 418 HB ILE 55 HB ILE 55 -2.250 1.216 4.894 419 1HG1 ILE 55 1HG1 ILE 55 -4.968 2.442 5.403 420 2HG1 ILE 55 2HG1 ILE 55 -4.345 1.984 3.820 421 1HG2 ILE 55 1HG2 ILE 55 -3.218 0.656 7.084 422 2HG2 ILE 55 2HG2 ILE 55 -3.442 2.375 7.409 423 3HG2 ILE 55 3HG2 ILE 55 -1.816 1.715 7.232 424 1HD1 ILE 55 1HD1 ILE 55 -5.873 0.312 4.664 425 2HD1 ILE 55 2HD1 ILE 55 -4.896 0.123 6.120 426 3HD1 ILE 55 3HD1 ILE 55 -4.241 -0.346 4.551 427 H LEU 56 H LEU 56 -0.251 2.862 3.783 428 HA LEU 56 HA LEU 56 1.529 2.657 5.997 429 1HB LEU 56 1HB LEU 56 1.669 1.554 3.674 430 2HB LEU 56 2HB LEU 56 2.356 3.069 3.135 431 HG LEU 56 HG LEU 56 3.567 1.426 5.361 432 1HD1 LEU 56 1HD1 LEU 56 4.196 1.395 2.412 433 2HD1 LEU 56 2HD1 LEU 56 3.516 0.068 3.357 434 3HD1 LEU 56 3HD1 LEU 56 5.162 0.621 3.667 435 1HD2 LEU 56 1HD2 LEU 56 4.678 3.621 3.610 436 2HD2 LEU 56 2HD2 LEU 56 5.593 2.702 4.807 437 3HD2 LEU 56 3HD2 LEU 56 4.276 3.756 5.322 438 H LEU 57 H LEU 57 1.045 5.127 3.484 439 HA LEU 57 HA LEU 57 3.207 6.729 4.473 440 1HB LEU 57 1HB LEU 57 1.197 7.035 2.283 441 2HB LEU 57 2HB LEU 57 2.126 8.426 2.802 442 HG LEU 57 HG LEU 57 3.138 7.406 0.845 443 1HD1 LEU 57 1HD1 LEU 57 4.595 8.452 2.523 444 2HD1 LEU 57 2HD1 LEU 57 5.397 7.153 1.644 445 3HD1 LEU 57 3HD1 LEU 57 4.821 6.878 3.287 446 1HD2 LEU 57 1HD2 LEU 57 3.422 4.913 2.515 447 2HD2 LEU 57 2HD2 LEU 57 4.091 5.165 0.902 448 3HD2 LEU 57 3HD2 LEU 57 2.343 5.119 1.135 449 H GLN 58 H GLN 58 -0.311 6.863 4.716 450 HA GLN 58 HA GLN 58 -0.710 9.386 5.714 451 1HB GLN 58 1HB GLN 58 -2.474 7.646 5.252 452 2HB GLN 58 2HB GLN 58 -2.086 6.933 6.812 453 1HG GLN 58 1HG GLN 58 -2.618 9.138 7.854 454 2HG GLN 58 2HG GLN 58 -3.205 9.669 6.280 455 1HE2 GLN 58 1HE2 GLN 58 -3.572 6.439 7.626 456 2HE2 GLN 58 2HE2 GLN 58 -5.296 6.515 7.792 457 H GLY 59 H GLY 59 0.444 10.390 7.222 458 1HA GLY 59 1HA GLY 59 0.971 10.919 9.430 459 2HA GLY 59 2HA GLY 59 0.460 9.307 9.913 460 H THR 60 H THR 60 3.005 10.891 8.008 461 HA THR 60 HA THR 60 5.014 9.285 9.373 462 HB THR 60 HB THR 60 6.178 8.806 7.195 463 HG1 THR 60 HG1 THR 60 3.693 9.069 5.899 464 1HG2 THR 60 1HG2 THR 60 3.481 7.491 7.549 465 2HG2 THR 60 2HG2 THR 60 4.963 7.047 8.394 466 3HG2 THR 60 3HG2 THR 60 4.848 6.833 6.648 467 H GLY 61 H GLY 61 4.131 11.948 7.294 468 1HA GLY 61 1HA GLY 61 5.215 14.105 7.615 469 2HA GLY 61 2HA GLY 61 6.727 13.232 7.852 470 H LEU 62 H LEU 62 5.616 11.391 5.624 471 HA LEU 62 HA LEU 62 6.616 13.043 3.408 472 1HB LEU 62 1HB LEU 62 6.542 10.033 3.690 473 2HB LEU 62 2HB LEU 62 7.208 10.916 2.329 474 HG LEU 62 HG LEU 62 8.274 11.044 5.152 475 1HD1 LEU 62 1HD1 LEU 62 10.174 9.762 4.241 476 2HD1 LEU 62 2HD1 LEU 62 9.281 9.556 2.734 477 3HD1 LEU 62 3HD1 LEU 62 8.664 8.853 4.228 478 1HD2 LEU 62 1HD2 LEU 62 9.351 12.152 2.563 479 2HD2 LEU 62 2HD2 LEU 62 10.176 12.187 4.121 480 3HD2 LEU 62 3HD2 LEU 62 8.676 13.087 3.897 481 H ARG 63 H ARG 63 5.597 12.754 1.329 482 HA ARG 63 HA ARG 63 2.769 11.953 1.544 483 1HB ARG 63 1HB ARG 63 2.970 14.378 1.382 484 2HB ARG 63 2HB ARG 63 3.998 14.224 -0.035 485 1HG ARG 63 1HG ARG 63 2.119 13.236 -1.271 486 2HG ARG 63 2HG ARG 63 1.095 13.450 0.151 487 1HD ARG 63 1HD ARG 63 0.794 15.251 -1.502 488 2HD ARG 63 2HD ARG 63 1.387 15.849 0.047 489 HE ARG 63 HE ARG 63 3.671 15.549 -1.286 490 1HH1 ARG 63 1HH1 ARG 63 0.654 17.018 -2.271 491 2HH1 ARG 63 2HH1 ARG 63 1.404 18.137 -3.365 492 1HH2 ARG 63 1HH2 ARG 63 4.665 17.043 -2.703 493 2HH2 ARG 63 2HH2 ARG 63 3.695 18.190 -3.571 494 H TYR 64 H TYR 64 1.956 10.682 -0.071 495 HA TYR 64 HA TYR 64 3.961 9.666 -1.957 496 1HB TYR 64 1HB TYR 64 2.670 7.646 -2.147 497 2HB TYR 64 2HB TYR 64 2.890 8.005 -0.443 498 HD1 TYR 64 HD1 TYR 64 0.898 9.225 0.734 499 HD2 TYR 64 HD2 TYR 64 0.559 7.160 -2.972 500 HE1 TYR 64 HE1 TYR 64 -1.528 9.015 1.076 501 HE2 TYR 64 HE2 TYR 64 -1.868 6.949 -2.639 502 HH TYR 64 HH TYR 64 -3.567 8.719 -0.353 503 H GLN 65 H GLN 65 3.914 10.447 -3.911 504 HA GLN 65 HA GLN 65 1.323 11.115 -5.136 505 1HB GLN 65 1HB GLN 65 4.139 11.952 -5.836 506 2HB GLN 65 2HB GLN 65 2.748 12.290 -6.855 507 1HG GLN 65 1HG GLN 65 3.075 13.235 -4.016 508 2HG GLN 65 2HG GLN 65 3.421 14.197 -5.452 509 1HE2 GLN 65 1HE2 GLN 65 1.691 14.858 -6.781 510 2HE2 GLN 65 2HE2 GLN 65 0.067 14.907 -6.178 511 H ILE 66 H ILE 66 0.600 9.977 -6.841 512 HA ILE 66 HA ILE 66 2.381 7.888 -7.909 513 HB ILE 66 HB ILE 66 -0.636 7.975 -7.839 514 1HG1 ILE 66 1HG1 ILE 66 1.374 6.142 -6.526 515 2HG1 ILE 66 2HG1 ILE 66 0.381 7.355 -5.719 516 1HG2 ILE 66 1HG2 ILE 66 0.083 7.013 -9.944 517 2HG2 ILE 66 2HG2 ILE 66 -0.550 5.746 -8.893 518 3HG2 ILE 66 3HG2 ILE 66 1.191 5.934 -9.098 519 1HD1 ILE 66 1HD1 ILE 66 -1.630 6.112 -6.397 520 2HD1 ILE 66 2HD1 ILE 66 -0.554 5.170 -5.370 521 3HD1 ILE 66 3HD1 ILE 66 -0.597 4.873 -7.109 522 H ASP 67 H ASP 67 3.314 8.590 -9.688 523 HA ASP 67 HA ASP 67 1.711 10.144 -11.616 524 1HB ASP 67 1HB ASP 67 3.707 11.289 -10.531 525 2HB ASP 67 2HB ASP 67 4.727 10.134 -11.382 526 H GLY 68 H GLY 68 1.048 8.771 -13.159 527 1HA GLY 68 1HA GLY 68 1.063 7.104 -14.739 528 2HA GLY 68 2HA GLY 68 2.814 7.271 -14.771 529 H ASN 69 H ASN 69 3.957 5.582 -14.125 530 HA ASN 69 HA ASN 69 2.668 3.629 -12.322 531 1HB ASN 69 1HB ASN 69 4.104 1.906 -13.274 532 2HB ASN 69 2HB ASN 69 3.217 2.705 -14.565 533 1HD2 ASN 69 1HD2 ASN 69 4.316 4.023 -16.014 534 2HD2 ASN 69 2HD2 ASN 69 6.043 3.983 -16.160 535 H THR 70 H THR 70 4.080 6.096 -11.695 536 HA THR 70 HA THR 70 6.487 5.040 -10.367 537 HB THR 70 HB THR 70 6.089 7.869 -11.361 538 HG1 THR 70 HG1 THR 70 6.284 6.583 -13.170 539 1HG2 THR 70 1HG2 THR 70 8.549 6.418 -10.369 540 2HG2 THR 70 2HG2 THR 70 7.665 7.671 -9.499 541 3HG2 THR 70 3HG2 THR 70 8.510 8.066 -10.995 542 H VAL 71 H VAL 71 6.754 5.494 -8.257 543 HA VAL 71 HA VAL 71 4.599 7.003 -6.932 544 HB VAL 71 HB VAL 71 6.443 4.955 -5.679 545 1HG1 VAL 71 1HG1 VAL 71 4.830 4.989 -3.834 546 2HG1 VAL 71 2HG1 VAL 71 3.918 6.252 -4.658 547 3HG1 VAL 71 3HG1 VAL 71 5.557 6.573 -4.093 548 1HG2 VAL 71 1HG2 VAL 71 5.060 3.837 -7.313 549 2HG2 VAL 71 2HG2 VAL 71 3.615 4.622 -6.674 550 3HG2 VAL 71 3HG2 VAL 71 4.487 3.445 -5.690 551 H THR 72 H THR 72 5.195 8.954 -6.228 552 HA THR 72 HA THR 72 8.065 9.467 -5.833 553 HB THR 72 HB THR 72 5.867 11.515 -6.169 554 HG1 THR 72 HG1 THR 72 6.792 9.867 -7.999 555 1HG2 THR 72 1HG2 THR 72 8.878 11.695 -6.399 556 2HG2 THR 72 2HG2 THR 72 7.889 12.360 -5.096 557 3HG2 THR 72 3HG2 THR 72 7.749 13.008 -6.730 558 H VAL 73 H VAL 73 8.664 9.354 -3.789 559 HA VAL 73 HA VAL 73 6.773 10.042 -1.667 560 HB VAL 73 HB VAL 73 9.551 8.874 -1.416 561 1HG1 VAL 73 1HG1 VAL 73 8.822 8.248 0.840 562 2HG1 VAL 73 2HG1 VAL 73 7.289 9.073 0.565 563 3HG1 VAL 73 3HG1 VAL 73 8.790 9.994 0.601 564 1HG2 VAL 73 1HG2 VAL 73 8.406 6.725 -1.020 565 2HG2 VAL 73 2HG2 VAL 73 8.144 7.340 -2.652 566 3HG2 VAL 73 3HG2 VAL 73 6.870 7.489 -1.440 567 H THR 74 H THR 74 6.703 12.206 -1.535 568 HA THR 74 HA THR 74 9.257 13.664 -1.355 569 HB THR 74 HB THR 74 7.935 14.296 -3.324 570 HG1 THR 74 HG1 THR 74 9.036 16.032 -2.619 571 1HG2 THR 74 1HG2 THR 74 5.791 15.068 -1.342 572 2HG2 THR 74 2HG2 THR 74 5.703 13.755 -2.518 573 3HG2 THR 74 3HG2 THR 74 5.769 15.433 -3.067 574 H ALA 75 H ALA 75 9.470 15.222 0.278 575 HA ALA 75 HA ALA 75 8.137 14.644 2.702 576 1HB ALA 75 1HB ALA 75 9.857 17.020 2.003 577 2HB ALA 75 2HB ALA 75 10.440 15.474 2.616 578 3HB ALA 75 3HB ALA 75 9.422 16.495 3.629 579 H SER 76 H SER 76 6.421 15.585 3.671 580 HA SER 76 HA SER 76 4.605 17.123 2.160 581 1HB SER 76 1HB SER 76 4.663 16.770 5.168 582 2HB SER 76 2HB SER 76 3.266 17.197 4.179 583 HG SER 76 HG SER 76 4.551 14.734 4.503 584 H ALA 77 H ALA 77 5.001 19.113 1.565 585 HA ALA 77 HA ALA 77 5.692 21.255 1.515 586 1HB ALA 77 1HB ALA 77 5.461 21.115 4.522 587 2HB ALA 77 2HB ALA 77 4.173 21.568 3.404 588 3HB ALA 77 3HB ALA 77 5.601 22.590 3.566 589 H ALA 78 H ALA 78 7.638 19.704 0.965 590 HA ALA 78 HA ALA 78 9.878 19.538 2.606 591 1HB ALA 78 1HB ALA 78 11.159 19.179 0.559 592 2HB ALA 78 2HB ALA 78 9.809 19.786 -0.401 593 3HB ALA 78 3HB ALA 78 9.638 18.288 0.514 594 H ALA 79 H ALA 79 9.379 21.863 -0.056 595 HA ALA 79 HA ALA 79 10.198 23.945 -0.444 596 1HB ALA 79 1HB ALA 79 9.932 24.203 2.551 597 2HB ALA 79 2HB ALA 79 8.637 24.450 1.374 598 3HB ALA 79 3HB ALA 79 10.033 25.532 1.393 599 H LYS 80 H LYS 80 12.234 22.450 -0.798 600 HA LYS 80 HA LYS 80 14.393 23.153 1.026 601 1HB LYS 80 1HB LYS 80 14.327 21.395 -1.429 602 2HB LYS 80 2HB LYS 80 15.792 21.742 -0.523 603 1HG LYS 80 1HG LYS 80 14.630 20.807 1.506 604 2HG LYS 80 2HG LYS 80 13.357 20.254 0.417 605 1HD LYS 80 1HD LYS 80 16.272 19.522 0.135 606 2HD LYS 80 2HD LYS 80 15.075 18.523 0.958 607 1HE LYS 80 1HE LYS 80 13.787 18.359 -1.117 608 2HE LYS 80 2HE LYS 80 14.982 19.363 -1.938 609 1HZ LYS 80 1HZ LYS 80 15.530 16.709 -0.700 610 2HZ LYS 80 2HZ LYS 80 16.646 17.666 -1.554 611 3HZ LYS 80 3HZ LYS 80 15.322 16.991 -2.360 612 H ASP 81 H ASP 81 14.803 25.252 0.800 613 HA ASP 81 HA ASP 81 15.586 27.202 -0.019 614 1HB ASP 81 1HB ASP 81 16.861 25.382 -2.067 615 2HB ASP 81 2HB ASP 81 17.195 27.106 -1.949 616 H GLY 82 H GLY 82 15.501 25.956 -3.285 617 1HA GLY 82 1HA GLY 82 13.034 26.529 -4.222 618 2HA GLY 82 2HA GLY 82 13.759 28.125 -4.059 Start of MODEL 15 1 1H SER 1 1H SER 1 -11.670 -6.023 -5.637 2 2H SER 1 2H SER 1 -10.438 -5.046 -6.261 3 3H SER 1 3H SER 1 -10.144 -6.015 -4.900 4 HA SER 1 HA SER 1 -10.381 -8.001 -6.169 5 1HB SER 1 1HB SER 1 -10.892 -6.142 -8.507 6 2HB SER 1 2HB SER 1 -10.743 -7.897 -8.605 7 HG SER 1 HG SER 1 -12.764 -6.385 -7.292 8 H GLN 2 H GLN 2 -8.730 -4.987 -6.679 9 HA GLN 2 HA GLN 2 -6.480 -6.363 -7.954 10 1HB GLN 2 1HB GLN 2 -7.381 -4.307 -9.016 11 2HB GLN 2 2HB GLN 2 -6.962 -3.401 -7.570 12 1HG GLN 2 1HG GLN 2 -5.327 -3.087 -9.341 13 2HG GLN 2 2HG GLN 2 -4.614 -3.863 -7.929 14 1HE2 GLN 2 1HE2 GLN 2 -3.958 -5.999 -8.059 15 2HE2 GLN 2 2HE2 GLN 2 -3.760 -6.817 -9.572 16 H GLU 3 H GLU 3 -5.843 -7.436 -5.977 17 HA GLU 3 HA GLU 3 -4.489 -5.614 -4.104 18 1HB GLU 3 1HB GLU 3 -5.754 -8.300 -3.516 19 2HB GLU 3 2HB GLU 3 -4.830 -7.349 -2.356 20 1HG GLU 3 1HG GLU 3 -6.468 -5.522 -2.595 21 2HG GLU 3 2HG GLU 3 -7.411 -6.536 -3.683 22 H TRP 4 H TRP 4 -2.521 -6.302 -3.219 23 HA TRP 4 HA TRP 4 -1.157 -8.458 -4.695 24 1HB TRP 4 1HB TRP 4 -0.110 -5.709 -3.997 25 2HB TRP 4 2HB TRP 4 0.941 -7.044 -4.447 26 HD1 TRP 4 HD1 TRP 4 0.754 -7.925 -7.015 27 HE1 TRP 4 HE1 TRP 4 0.081 -6.667 -9.157 28 HE3 TRP 4 HE3 TRP 4 -1.624 -3.930 -4.897 29 HZ2 TRP 4 HZ2 TRP 4 -1.277 -4.295 -9.856 30 HZ3 TRP 4 HZ3 TRP 4 -2.584 -2.211 -6.370 31 HH2 TRP 4 HH2 TRP 4 -2.413 -2.392 -8.800 32 H THR 5 H THR 5 0.501 -9.544 -3.501 33 HA THR 5 HA THR 5 0.036 -9.498 -0.624 34 HB THR 5 HB THR 5 1.906 -11.310 -2.167 35 HG1 THR 5 HG1 THR 5 -0.810 -11.193 -2.217 36 1HG2 THR 5 1HG2 THR 5 1.557 -12.820 -0.273 37 2HG2 THR 5 2HG2 THR 5 0.493 -11.634 0.485 38 3HG2 THR 5 3HG2 THR 5 2.207 -11.272 0.269 39 H LEU 6 H LEU 6 1.072 -7.836 0.299 40 HA LEU 6 HA LEU 6 3.792 -7.161 -0.605 41 1HB LEU 6 1HB LEU 6 1.920 -5.461 1.038 42 2HB LEU 6 2HB LEU 6 3.387 -4.950 0.228 43 HG LEU 6 HG LEU 6 0.904 -5.888 -1.214 44 1HD1 LEU 6 1HD1 LEU 6 1.884 -3.089 -0.676 45 2HD1 LEU 6 2HD1 LEU 6 0.440 -3.838 0.010 46 3HD1 LEU 6 3HD1 LEU 6 0.533 -3.524 -1.724 47 1HD2 LEU 6 1HD2 LEU 6 2.948 -6.168 -2.499 48 2HD2 LEU 6 2HD2 LEU 6 3.397 -4.493 -2.173 49 3HD2 LEU 6 3HD2 LEU 6 1.977 -4.851 -3.158 50 H ASP 7 H ASP 7 5.256 -8.176 0.677 51 HA ASP 7 HA ASP 7 4.831 -8.192 3.571 52 1HB ASP 7 1HB ASP 7 7.105 -9.330 1.917 53 2HB ASP 7 2HB ASP 7 6.972 -9.462 3.665 54 H ILE 8 H ILE 8 5.121 -6.152 4.325 55 HA ILE 8 HA ILE 8 7.415 -4.610 3.350 56 HB ILE 8 HB ILE 8 4.969 -3.758 4.901 57 1HG1 ILE 8 1HG1 ILE 8 4.516 -4.212 2.554 58 2HG1 ILE 8 2HG1 ILE 8 4.460 -2.478 2.846 59 1HG2 ILE 8 1HG2 ILE 8 6.867 -2.424 5.618 60 2HG2 ILE 8 2HG2 ILE 8 5.773 -1.456 4.631 61 3HG2 ILE 8 3HG2 ILE 8 7.273 -2.070 3.941 62 1HD1 ILE 8 1HD1 ILE 8 6.708 -2.254 1.906 63 2HD1 ILE 8 2HD1 ILE 8 5.579 -2.967 0.756 64 3HD1 ILE 8 3HD1 ILE 8 6.744 -3.991 1.596 65 HA PRO 9 HA PRO 9 9.631 -5.592 7.110 66 1HB PRO 9 1HB PRO 9 11.378 -3.413 6.125 67 2HB PRO 9 2HB PRO 9 11.780 -5.089 6.517 68 1HG PRO 9 1HG PRO 9 11.681 -4.270 3.987 69 2HG PRO 9 2HG PRO 9 11.080 -5.875 4.451 70 1HD PRO 9 1HD PRO 9 9.542 -3.363 3.895 71 2HD PRO 9 2HD PRO 9 9.201 -5.028 3.378 72 H ALA 10 H ALA 10 10.351 -4.512 9.015 73 HA ALA 10 HA ALA 10 9.046 -1.898 9.492 74 1HB ALA 10 1HB ALA 10 9.648 -4.105 11.471 75 2HB ALA 10 2HB ALA 10 8.060 -3.706 10.816 76 3HB ALA 10 3HB ALA 10 8.901 -2.554 11.853 77 H GLN 11 H GLN 11 11.612 -2.336 8.345 78 HA GLN 11 HA GLN 11 13.469 -1.436 10.431 79 1HB GLN 11 1HB GLN 11 14.057 -2.315 7.596 80 2HB GLN 11 2HB GLN 11 15.240 -1.989 8.856 81 1HG GLN 11 1HG GLN 11 14.480 -3.905 10.110 82 2HG GLN 11 2HG GLN 11 13.198 -4.199 8.935 83 1HE2 GLN 11 1HE2 GLN 11 13.703 -5.043 6.941 84 2HE2 GLN 11 2HE2 GLN 11 15.246 -5.727 6.561 85 H SER 12 H SER 12 15.249 -0.256 8.493 86 HA SER 12 HA SER 12 14.422 2.368 8.283 87 1HB SER 12 1HB SER 12 16.267 0.898 6.382 88 2HB SER 12 2HB SER 12 16.252 2.632 6.707 89 HG SER 12 HG SER 12 17.751 0.952 7.902 90 H MET 13 H MET 13 13.139 3.444 6.981 91 HA MET 13 HA MET 13 11.153 2.418 5.415 92 1HB MET 13 1HB MET 13 11.399 4.776 6.254 93 2HB MET 13 2HB MET 13 12.501 5.075 4.920 94 1HG MET 13 1HG MET 13 10.455 5.910 4.197 95 2HG MET 13 2HG MET 13 10.597 4.345 3.399 96 1HE MET 13 1HE MET 13 9.728 5.105 7.151 97 2HE MET 13 2HE MET 13 7.966 5.134 7.099 98 3HE MET 13 3HE MET 13 8.890 6.386 6.268 99 H ASN 14 H ASN 14 14.423 3.187 4.471 100 HA ASN 14 HA ASN 14 14.274 3.136 1.707 101 1HB ASN 14 1HB ASN 14 16.317 3.716 2.887 102 2HB ASN 14 2HB ASN 14 16.450 2.085 3.531 103 1HD2 ASN 14 1HD2 ASN 14 15.552 2.918 0.219 104 2HD2 ASN 14 2HD2 ASN 14 16.964 2.233 -0.510 105 H SER 15 H SER 15 14.418 0.398 3.979 106 HA SER 15 HA SER 15 14.770 -1.544 1.905 107 1HB SER 15 1HB SER 15 13.850 -2.036 4.747 108 2HB SER 15 2HB SER 15 14.658 -3.169 3.661 109 HG SER 15 HG SER 15 16.470 -2.437 4.408 110 H ALA 16 H ALA 16 12.091 -0.375 3.884 111 HA ALA 16 HA ALA 16 10.144 -2.210 3.049 112 1HB ALA 16 1HB ALA 16 9.886 -0.769 5.002 113 2HB ALA 16 2HB ALA 16 8.523 -0.608 3.896 114 3HB ALA 16 3HB ALA 16 9.768 0.640 3.948 115 H LEU 17 H LEU 17 11.029 0.982 1.777 116 HA LEU 17 HA LEU 17 8.979 1.059 -0.168 117 1HB LEU 17 1HB LEU 17 11.603 2.535 -0.011 118 2HB LEU 17 2HB LEU 17 10.364 2.873 -1.204 119 HG LEU 17 HG LEU 17 10.096 3.180 1.786 120 1HD1 LEU 17 1HD1 LEU 17 9.872 5.564 1.264 121 2HD1 LEU 17 2HD1 LEU 17 10.203 5.214 -0.433 122 3HD1 LEU 17 3HD1 LEU 17 11.443 4.921 0.787 123 1HD2 LEU 17 1HD2 LEU 17 8.084 3.737 -0.390 124 2HD2 LEU 17 2HD2 LEU 17 7.893 4.116 1.321 125 3HD2 LEU 17 3HD2 LEU 17 7.996 2.437 0.797 126 H GLN 18 H GLN 18 12.430 0.165 -0.431 127 HA GLN 18 HA GLN 18 12.368 -0.439 -3.170 128 1HB GLN 18 1HB GLN 18 14.085 -1.617 -0.980 129 2HB GLN 18 2HB GLN 18 14.367 -1.863 -2.698 130 1HG GLN 18 1HG GLN 18 14.696 0.550 -2.979 131 2HG GLN 18 2HG GLN 18 14.430 0.779 -1.249 132 1HE2 GLN 18 1HE2 GLN 18 15.832 -1.743 -0.631 133 2HE2 GLN 18 2HE2 GLN 18 17.518 -1.404 -0.807 134 H ALA 19 H ALA 19 11.544 -2.379 -0.347 135 HA ALA 19 HA ALA 19 11.153 -4.829 -1.699 136 1HB ALA 19 1HB ALA 19 11.386 -4.684 0.735 137 2HB ALA 19 2HB ALA 19 9.903 -5.520 0.276 138 3HB ALA 19 3HB ALA 19 9.835 -3.849 0.833 139 H LEU 20 H LEU 20 9.014 -2.078 -1.034 140 HA LEU 20 HA LEU 20 6.603 -3.321 -1.882 141 1HB LEU 20 1HB LEU 20 6.682 -1.312 -0.455 142 2HB LEU 20 2HB LEU 20 7.386 -0.402 -1.777 143 HG LEU 20 HG LEU 20 5.280 -0.829 -3.085 144 1HD1 LEU 20 1HD1 LEU 20 4.289 -1.807 -0.409 145 2HD1 LEU 20 2HD1 LEU 20 4.467 -2.770 -1.875 146 3HD1 LEU 20 3HD1 LEU 20 3.280 -1.469 -1.815 147 1HD2 LEU 20 1HD2 LEU 20 4.005 0.889 -1.922 148 2HD2 LEU 20 2HD2 LEU 20 5.722 1.293 -1.956 149 3HD2 LEU 20 3HD2 LEU 20 4.991 0.662 -0.479 150 H ALA 21 H ALA 21 9.146 -1.504 -3.415 151 HA ALA 21 HA ALA 21 7.912 -1.029 -5.919 152 1HB ALA 21 1HB ALA 21 9.895 0.201 -5.140 153 2HB ALA 21 2HB ALA 21 10.150 -0.531 -6.724 154 3HB ALA 21 3HB ALA 21 10.853 -1.273 -5.285 155 H LYS 22 H LYS 22 9.958 -3.598 -4.656 156 HA LYS 22 HA LYS 22 10.280 -5.084 -7.008 157 1HB LYS 22 1HB LYS 22 11.614 -5.467 -4.989 158 2HB LYS 22 2HB LYS 22 10.187 -6.036 -4.136 159 1HG LYS 22 1HG LYS 22 10.026 -7.867 -5.856 160 2HG LYS 22 2HG LYS 22 11.611 -7.354 -6.434 161 1HD LYS 22 1HD LYS 22 11.831 -9.216 -4.888 162 2HD LYS 22 2HD LYS 22 12.541 -7.757 -4.196 163 1HE LYS 22 1HE LYS 22 10.589 -7.404 -2.828 164 2HE LYS 22 2HE LYS 22 9.759 -8.751 -3.600 165 1HZ LYS 22 1HZ LYS 22 11.392 -10.256 -2.672 166 2HZ LYS 22 2HZ LYS 22 10.646 -9.360 -1.434 167 3HZ LYS 22 3HZ LYS 22 12.217 -8.966 -1.940 168 H GLN 23 H GLN 23 7.749 -5.139 -4.547 169 HA GLN 23 HA GLN 23 6.440 -7.471 -5.398 170 1HB GLN 23 1HB GLN 23 5.772 -5.195 -3.649 171 2HB GLN 23 2HB GLN 23 4.398 -6.049 -4.332 172 1HG GLN 23 1HG GLN 23 4.735 -7.115 -2.313 173 2HG GLN 23 2HG GLN 23 5.546 -8.174 -3.464 174 1HE2 GLN 23 1HE2 GLN 23 5.942 -5.910 -0.869 175 2HE2 GLN 23 2HE2 GLN 23 7.607 -6.246 -0.554 176 H THR 24 H THR 24 6.156 -4.137 -6.538 177 HA THR 24 HA THR 24 3.974 -5.033 -8.302 178 HB THR 24 HB THR 24 3.389 -2.532 -8.360 179 HG1 THR 24 HG1 THR 24 4.771 -2.503 -5.874 180 1HG2 THR 24 1HG2 THR 24 2.031 -4.223 -7.205 181 2HG2 THR 24 2HG2 THR 24 2.063 -2.704 -6.308 182 3HG2 THR 24 3HG2 THR 24 3.052 -4.066 -5.777 183 H ASP 25 H ASP 25 7.124 -4.497 -8.456 184 HA ASP 25 HA ASP 25 8.667 -3.786 -9.960 185 1HB ASP 25 1HB ASP 25 6.532 -4.977 -11.470 186 2HB ASP 25 2HB ASP 25 7.252 -3.663 -12.395 187 H THR 26 H THR 26 7.362 -1.762 -8.590 188 HA THR 26 HA THR 26 6.793 0.305 -10.579 189 HB THR 26 HB THR 26 6.077 1.624 -8.505 190 HG1 THR 26 HG1 THR 26 5.579 -0.731 -7.155 191 1HG2 THR 26 1HG2 THR 26 3.897 0.515 -8.401 192 2HG2 THR 26 2HG2 THR 26 4.579 -0.902 -9.200 193 3HG2 THR 26 3HG2 THR 26 4.475 0.632 -10.065 194 H GLN 27 H GLN 27 7.711 2.396 -10.340 195 HA GLN 27 HA GLN 27 10.389 2.343 -9.144 196 1HB GLN 27 1HB GLN 27 9.182 4.003 -11.349 197 2HB GLN 27 2HB GLN 27 10.697 4.444 -10.570 198 1HG GLN 27 1HG GLN 27 10.163 1.848 -12.007 199 2HG GLN 27 2HG GLN 27 11.047 3.224 -12.666 200 1HE2 GLN 27 1HE2 GLN 27 12.349 3.848 -10.148 201 2HE2 GLN 27 2HE2 GLN 27 13.549 2.630 -9.888 202 H LEU 28 H LEU 28 10.688 3.405 -7.327 203 HA LEU 28 HA LEU 28 8.636 5.333 -6.498 204 1HB LEU 28 1HB LEU 28 10.635 3.841 -4.792 205 2HB LEU 28 2HB LEU 28 9.385 4.920 -4.206 206 HG LEU 28 HG LEU 28 8.983 2.232 -5.517 207 1HD1 LEU 28 1HD1 LEU 28 8.334 3.216 -2.745 208 2HD1 LEU 28 2HD1 LEU 28 9.713 2.203 -3.170 209 3HD1 LEU 28 3HD1 LEU 28 8.072 1.589 -3.374 210 1HD2 LEU 28 1HD2 LEU 28 6.913 4.198 -4.550 211 2HD2 LEU 28 2HD2 LEU 28 6.602 2.566 -5.145 212 3HD2 LEU 28 3HD2 LEU 28 7.243 3.797 -6.235 213 H LEU 29 H LEU 29 9.166 7.384 -6.546 214 HA LEU 29 HA LEU 29 11.998 8.109 -6.712 215 1HB LEU 29 1HB LEU 29 9.465 9.615 -7.351 216 2HB LEU 29 2HB LEU 29 11.023 10.407 -7.267 217 HG LEU 29 HG LEU 29 10.567 10.002 -9.562 218 1HD1 LEU 29 1HD1 LEU 29 12.513 7.956 -8.523 219 2HD1 LEU 29 2HD1 LEU 29 12.862 9.625 -8.977 220 3HD1 LEU 29 3HD1 LEU 29 12.382 8.457 -10.207 221 1HD2 LEU 29 1HD2 LEU 29 10.062 7.120 -8.839 222 2HD2 LEU 29 2HD2 LEU 29 10.060 7.795 -10.467 223 3HD2 LEU 29 3HD2 LEU 29 8.838 8.301 -9.302 224 H TYR 30 H TYR 30 12.917 8.481 -4.851 225 HA TYR 30 HA TYR 30 11.887 10.383 -2.991 226 1HB TYR 30 1HB TYR 30 11.513 8.974 -1.097 227 2HB TYR 30 2HB TYR 30 10.586 8.272 -2.417 228 HD1 TYR 30 HD1 TYR 30 11.400 6.188 -3.523 229 HD2 TYR 30 HD2 TYR 30 13.293 7.781 -0.061 230 HE1 TYR 30 HE1 TYR 30 12.517 4.030 -3.145 231 HE2 TYR 30 HE2 TYR 30 14.416 5.630 0.323 232 HH TYR 30 HH TYR 30 14.429 3.120 -2.019 233 H SER 31 H SER 31 13.417 10.661 -1.167 234 HA SER 31 HA SER 31 16.071 9.573 -1.807 235 1HB SER 31 1HB SER 31 15.454 12.397 -0.913 236 2HB SER 31 2HB SER 31 17.067 11.738 -1.186 237 HG SER 31 HG SER 31 14.997 12.136 -3.097 238 HA PRO 32 HA PRO 32 15.624 8.048 2.389 239 1HB PRO 32 1HB PRO 32 18.482 7.386 1.951 240 2HB PRO 32 2HB PRO 32 17.146 6.340 2.442 241 1HG PRO 32 1HG PRO 32 18.151 6.195 -0.018 242 2HG PRO 32 2HG PRO 32 16.407 6.036 0.266 243 1HD PRO 32 1HD PRO 32 17.956 8.389 -0.754 244 2HD PRO 32 2HD PRO 32 16.378 7.762 -1.281 245 H GLU 33 H GLU 33 17.927 10.312 1.179 246 HA GLU 33 HA GLU 33 19.096 11.040 3.672 247 1HB GLU 33 1HB GLU 33 18.850 12.683 1.144 248 2HB GLU 33 2HB GLU 33 19.938 13.003 2.482 249 1HG GLU 33 1HG GLU 33 21.232 12.042 0.764 250 2HG GLU 33 2HG GLU 33 21.032 10.798 1.996 251 H ASP 34 H ASP 34 16.303 12.078 1.824 252 HA ASP 34 HA ASP 34 15.739 14.409 3.357 253 1HB ASP 34 1HB ASP 34 14.014 12.803 1.464 254 2HB ASP 34 2HB ASP 34 13.502 14.308 2.215 255 H ILE 35 H ILE 35 15.184 11.091 3.948 256 HA ILE 35 HA ILE 35 12.902 11.677 5.697 257 HB ILE 35 HB ILE 35 12.556 9.266 5.849 258 1HG1 ILE 35 1HG1 ILE 35 14.897 9.044 3.943 259 2HG1 ILE 35 2HG1 ILE 35 14.915 8.566 5.638 260 1HG2 ILE 35 1HG2 ILE 35 12.850 10.283 3.028 261 2HG2 ILE 35 2HG2 ILE 35 11.441 10.466 4.076 262 3HG2 ILE 35 3HG2 ILE 35 11.916 8.866 3.505 263 1HD1 ILE 35 1HD1 ILE 35 13.221 6.873 5.169 264 2HD1 ILE 35 2HD1 ILE 35 14.667 6.644 4.188 265 3HD1 ILE 35 3HD1 ILE 35 13.219 7.349 3.473 266 H GLY 36 H GLY 36 16.234 11.275 5.845 267 1HA GLY 36 1HA GLY 36 17.685 11.276 7.615 268 2HA GLY 36 2HA GLY 36 16.309 11.660 8.635 269 H GLY 37 H GLY 37 16.024 8.774 6.826 270 1HA GLY 37 1HA GLY 37 16.310 6.545 7.379 271 2HA GLY 37 2HA GLY 37 17.253 7.051 8.772 272 H LEU 38 H LEU 38 13.888 7.210 7.624 273 HA LEU 38 HA LEU 38 12.896 6.932 10.337 274 1HB LEU 38 1HB LEU 38 11.489 7.089 7.669 275 2HB LEU 38 2HB LEU 38 10.662 6.965 9.208 276 HG LEU 38 HG LEU 38 12.463 9.249 8.404 277 1HD1 LEU 38 1HD1 LEU 38 9.457 9.073 8.524 278 2HD1 LEU 38 2HD1 LEU 38 10.435 9.210 7.061 279 3HD1 LEU 38 3HD1 LEU 38 10.391 10.539 8.222 280 1HD2 LEU 38 1HD2 LEU 38 12.392 8.863 10.815 281 2HD2 LEU 38 2HD2 LEU 38 10.628 8.896 10.772 282 3HD2 LEU 38 3HD2 LEU 38 11.547 10.349 10.379 283 H ARG 39 H ARG 39 11.577 5.156 11.029 284 HA ARG 39 HA ARG 39 12.101 2.664 9.589 285 1HB ARG 39 1HB ARG 39 11.096 1.582 11.634 286 2HB ARG 39 2HB ARG 39 12.599 2.442 11.903 287 1HG ARG 39 1HG ARG 39 11.328 4.354 12.782 288 2HG ARG 39 2HG ARG 39 9.832 3.453 12.529 289 1HD ARG 39 1HD ARG 39 10.472 3.268 14.840 290 2HD ARG 39 2HD ARG 39 10.677 1.703 14.059 291 HE ARG 39 HE ARG 39 13.068 3.316 14.126 292 1HH1 ARG 39 1HH1 ARG 39 11.129 0.942 15.842 293 2HH1 ARG 39 2HH1 ARG 39 12.465 0.351 16.785 294 1HH2 ARG 39 1HH2 ARG 39 14.820 2.552 15.387 295 2HH2 ARG 39 2HH2 ARG 39 14.551 1.293 16.564 296 H SER 40 H SER 40 10.517 1.379 8.794 297 HA SER 40 HA SER 40 7.996 2.710 8.265 298 1HB SER 40 1HB SER 40 7.683 0.656 6.768 299 2HB SER 40 2HB SER 40 8.988 1.762 6.343 300 HG SER 40 HG SER 40 9.090 -0.850 7.246 301 H SER 41 H SER 41 5.965 1.715 8.587 302 HA SER 41 HA SER 41 5.825 0.053 10.957 303 1HB SER 41 1HB SER 41 4.319 2.079 10.471 304 2HB SER 41 2HB SER 41 3.499 1.045 9.303 305 HG SER 41 HG SER 41 3.788 0.563 12.091 306 H ALA 42 H ALA 42 5.356 -2.069 10.962 307 HA ALA 42 HA ALA 42 5.732 -3.616 8.671 308 1HB ALA 42 1HB ALA 42 6.144 -4.427 10.944 309 2HB ALA 42 2HB ALA 42 5.090 -5.514 10.041 310 3HB ALA 42 3HB ALA 42 4.409 -4.432 11.255 311 H LEU 43 H LEU 43 4.393 -3.263 6.992 312 HA LEU 43 HA LEU 43 1.551 -3.913 7.405 313 1HB LEU 43 1HB LEU 43 2.837 -2.167 5.298 314 2HB LEU 43 2HB LEU 43 1.154 -2.647 5.280 315 HG LEU 43 HG LEU 43 2.468 -0.954 7.407 316 1HD1 LEU 43 1HD1 LEU 43 0.537 -0.253 5.199 317 2HD1 LEU 43 2HD1 LEU 43 2.228 0.234 5.304 318 3HD1 LEU 43 3HD1 LEU 43 1.062 0.838 6.482 319 1HD2 LEU 43 1HD2 LEU 43 0.172 -0.631 8.230 320 2HD2 LEU 43 2HD2 LEU 43 0.676 -2.318 8.327 321 3HD2 LEU 43 3HD2 LEU 43 -0.408 -1.797 7.040 322 H LYS 44 H LYS 44 2.017 -6.157 7.203 323 HA LYS 44 HA LYS 44 2.738 -6.939 4.464 324 1HB LYS 44 1HB LYS 44 3.446 -9.145 5.525 325 2HB LYS 44 2HB LYS 44 4.486 -7.755 5.781 326 1HG LYS 44 1HG LYS 44 3.472 -7.459 8.017 327 2HG LYS 44 2HG LYS 44 2.534 -8.932 7.748 328 1HD LYS 44 1HD LYS 44 4.564 -10.230 7.531 329 2HD LYS 44 2HD LYS 44 5.548 -8.772 7.677 330 1HE LYS 44 1HE LYS 44 4.715 -8.439 9.951 331 2HE LYS 44 2HE LYS 44 3.721 -9.888 9.803 332 1HZ LYS 44 1HZ LYS 44 5.800 -10.306 10.987 333 2HZ LYS 44 2HZ LYS 44 6.689 -9.823 9.626 334 3HZ LYS 44 3HZ LYS 44 5.711 -11.209 9.552 335 H GLY 45 H GLY 45 1.182 -7.703 3.328 336 1HA GLY 45 1HA GLY 45 -0.629 -9.691 3.985 337 2HA GLY 45 2HA GLY 45 -1.413 -8.163 4.378 338 H ARG 46 H ARG 46 -2.942 -8.804 2.668 339 HA ARG 46 HA ARG 46 -1.882 -8.174 0.009 340 1HB ARG 46 1HB ARG 46 -3.733 -9.587 -0.885 341 2HB ARG 46 2HB ARG 46 -2.510 -10.478 0.002 342 1HG ARG 46 1HG ARG 46 -3.924 -10.781 1.852 343 2HG ARG 46 2HG ARG 46 -5.056 -9.555 1.273 344 1HD ARG 46 1HD ARG 46 -4.524 -12.010 -0.350 345 2HD ARG 46 2HD ARG 46 -5.653 -12.062 1.007 346 HE ARG 46 HE ARG 46 -6.149 -9.888 -0.799 347 1HH1 ARG 46 1HH1 ARG 46 -6.721 -13.293 -0.241 348 2HH1 ARG 46 2HH1 ARG 46 -8.236 -13.309 -1.092 349 1HH2 ARG 46 1HH2 ARG 46 -8.144 -9.893 -1.917 350 2HH2 ARG 46 2HH2 ARG 46 -9.028 -11.391 -2.061 351 H HIS 47 H HIS 47 -2.537 -6.191 -0.537 352 HA HIS 47 HA HIS 47 -5.359 -5.595 -0.530 353 1HB HIS 47 1HB HIS 47 -3.477 -4.161 1.296 354 2HB HIS 47 2HB HIS 47 -4.759 -3.241 0.516 355 HD1 HIS 47 HD1 HIS 47 -6.935 -5.572 0.730 356 HD2 HIS 47 HD2 HIS 47 -4.553 -4.120 3.829 357 HE1 HIS 47 HE1 HIS 47 -8.194 -6.061 2.853 358 HE2 HIS 47 HE2 HIS 47 -6.769 -5.126 4.709 359 H ASP 48 H ASP 48 -5.590 -3.173 -1.302 360 HA ASP 48 HA ASP 48 -4.450 -3.021 -3.882 361 1HB ASP 48 1HB ASP 48 -6.627 -2.116 -3.546 362 2HB ASP 48 2HB ASP 48 -6.078 -1.095 -2.224 363 H LEU 49 H LEU 49 -2.917 -1.574 -4.730 364 HA LEU 49 HA LEU 49 -0.677 -1.149 -3.090 365 1HB LEU 49 1HB LEU 49 -0.593 -1.438 -5.547 366 2HB LEU 49 2HB LEU 49 -1.293 0.156 -5.741 367 HG LEU 49 HG LEU 49 0.696 1.135 -4.629 368 1HD1 LEU 49 1HD1 LEU 49 1.339 -0.807 -3.288 369 2HD1 LEU 49 2HD1 LEU 49 2.679 -0.244 -4.288 370 3HD1 LEU 49 3HD1 LEU 49 1.769 -1.679 -4.758 371 1HD2 LEU 49 1HD2 LEU 49 0.578 0.999 -7.062 372 2HD2 LEU 49 2HD2 LEU 49 1.299 -0.610 -7.010 373 3HD2 LEU 49 3HD2 LEU 49 2.234 0.793 -6.495 374 H GLN 50 H GLN 50 -2.813 1.278 -4.590 375 HA GLN 50 HA GLN 50 -1.666 3.517 -3.350 376 1HB GLN 50 1HB GLN 50 -3.183 3.601 -5.301 377 2HB GLN 50 2HB GLN 50 -4.526 3.140 -4.265 378 1HG GLN 50 1HG GLN 50 -4.240 5.209 -2.985 379 2HG GLN 50 2HG GLN 50 -2.903 5.667 -4.041 380 1HE2 GLN 50 1HE2 GLN 50 -5.799 4.055 -5.139 381 2HE2 GLN 50 2HE2 GLN 50 -6.417 5.379 -6.069 382 H SER 51 H SER 51 -4.167 1.311 -2.326 383 HA SER 51 HA SER 51 -5.083 2.711 -0.065 384 1HB SER 51 1HB SER 51 -6.131 0.698 -1.243 385 2HB SER 51 2HB SER 51 -5.004 -0.296 -0.325 386 HG SER 51 HG SER 51 -7.306 0.943 0.467 387 H SER 52 H SER 52 -2.531 0.215 -0.386 388 HA SER 52 HA SER 52 -1.935 0.062 2.357 389 1HB SER 52 1HB SER 52 0.177 -1.005 1.684 390 2HB SER 52 2HB SER 52 -1.193 -1.658 0.792 391 HG SER 52 HG SER 52 -0.575 -0.173 -0.926 392 H LEU 53 H LEU 53 -0.338 1.985 -0.204 393 HA LEU 53 HA LEU 53 1.475 3.301 1.457 394 1HB LEU 53 1HB LEU 53 0.186 4.110 -1.132 395 2HB LEU 53 2HB LEU 53 1.312 5.168 -0.304 396 HG LEU 53 HG LEU 53 2.878 3.073 -0.376 397 1HD1 LEU 53 1HD1 LEU 53 1.267 1.503 -1.255 398 2HD1 LEU 53 2HD1 LEU 53 2.582 1.746 -2.407 399 3HD1 LEU 53 3HD1 LEU 53 1.020 2.522 -2.672 400 1HD2 LEU 53 1HD2 LEU 53 2.297 4.764 -2.799 401 2HD2 LEU 53 2HD2 LEU 53 3.786 3.867 -2.504 402 3HD2 LEU 53 3HD2 LEU 53 3.341 5.206 -1.446 403 H ARG 54 H ARG 54 -1.923 3.882 0.916 404 HA ARG 54 HA ARG 54 -2.088 6.463 2.004 405 1HB ARG 54 1HB ARG 54 -3.922 5.397 0.739 406 2HB ARG 54 2HB ARG 54 -4.171 4.272 2.066 407 1HG ARG 54 1HG ARG 54 -4.860 6.062 3.522 408 2HG ARG 54 2HG ARG 54 -4.477 7.260 2.283 409 1HD ARG 54 1HD ARG 54 -6.883 6.820 2.385 410 2HD ARG 54 2HD ARG 54 -6.204 6.333 0.834 411 HE ARG 54 HE ARG 54 -6.361 4.196 2.767 412 1HH1 ARG 54 1HH1 ARG 54 -8.050 5.915 0.212 413 2HH1 ARG 54 2HH1 ARG 54 -9.156 4.611 -0.104 414 1HH2 ARG 54 1HH2 ARG 54 -7.784 2.485 2.347 415 2HH2 ARG 54 2HH2 ARG 54 -8.976 2.635 1.093 416 H ILE 55 H ILE 55 -2.038 3.283 3.496 417 HA ILE 55 HA ILE 55 -2.635 4.214 6.134 418 HB ILE 55 HB ILE 55 -1.258 1.649 5.314 419 1HG1 ILE 55 1HG1 ILE 55 -4.196 2.135 5.862 420 2HG1 ILE 55 2HG1 ILE 55 -3.497 1.973 4.254 421 1HG2 ILE 55 1HG2 ILE 55 -2.694 2.415 7.855 422 2HG2 ILE 55 2HG2 ILE 55 -0.959 2.173 7.665 423 3HG2 ILE 55 3HG2 ILE 55 -2.064 0.812 7.482 424 1HD1 ILE 55 1HD1 ILE 55 -4.558 -0.086 4.994 425 2HD1 ILE 55 2HD1 ILE 55 -3.490 -0.139 6.397 426 3HD1 ILE 55 3HD1 ILE 55 -2.823 -0.308 4.772 427 H LEU 56 H LEU 56 0.328 3.244 4.448 428 HA LEU 56 HA LEU 56 2.030 3.499 6.683 429 1HB LEU 56 1HB LEU 56 2.364 2.195 4.492 430 2HB LEU 56 2HB LEU 56 2.917 3.713 3.816 431 HG LEU 56 HG LEU 56 4.200 2.515 6.266 432 1HD1 LEU 56 1HD1 LEU 56 4.906 2.028 3.375 433 2HD1 LEU 56 2HD1 LEU 56 4.318 0.831 4.531 434 3HD1 LEU 56 3HD1 LEU 56 5.902 1.575 4.758 435 1HD2 LEU 56 1HD2 LEU 56 5.224 4.423 4.162 436 2HD2 LEU 56 2HD2 LEU 56 6.102 3.872 5.591 437 3HD2 LEU 56 3HD2 LEU 56 4.663 4.878 5.772 438 H LEU 57 H LEU 57 1.482 5.669 3.893 439 HA LEU 57 HA LEU 57 3.386 7.568 4.860 440 1HB LEU 57 1HB LEU 57 1.413 7.561 2.614 441 2HB LEU 57 2HB LEU 57 2.230 9.047 3.062 442 HG LEU 57 HG LEU 57 4.418 7.853 2.706 443 1HD1 LEU 57 1HD1 LEU 57 3.632 5.561 2.918 444 2HD1 LEU 57 2HD1 LEU 57 4.411 5.822 1.356 445 3HD1 LEU 57 3HD1 LEU 57 2.652 5.755 1.465 446 1HD2 LEU 57 1HD2 LEU 57 3.533 9.372 1.049 447 2HD2 LEU 57 2HD2 LEU 57 2.542 8.085 0.364 448 3HD2 LEU 57 3HD2 LEU 57 4.300 7.994 0.256 449 H GLN 58 H GLN 58 -0.066 7.182 5.192 450 HA GLN 58 HA GLN 58 -0.965 9.520 6.206 451 1HB GLN 58 1HB GLN 58 -2.306 7.472 6.103 452 2HB GLN 58 2HB GLN 58 -1.400 6.801 7.449 453 1HG GLN 58 1HG GLN 58 -2.236 8.611 8.886 454 2HG GLN 58 2HG GLN 58 -3.187 9.219 7.533 455 1HE2 GLN 58 1HE2 GLN 58 -2.702 5.819 8.139 456 2HE2 GLN 58 2HE2 GLN 58 -4.327 5.474 8.613 457 H GLY 59 H GLY 59 0.938 7.151 8.065 458 1HA GLY 59 1HA GLY 59 0.875 8.769 10.445 459 2HA GLY 59 2HA GLY 59 1.774 7.278 10.220 460 H THR 60 H THR 60 2.921 8.617 7.691 461 HA THR 60 HA THR 60 5.149 9.829 9.155 462 HB THR 60 HB THR 60 6.348 9.494 6.913 463 HG1 THR 60 HG1 THR 60 4.485 7.479 6.380 464 1HG2 THR 60 1HG2 THR 60 5.377 7.083 8.451 465 2HG2 THR 60 2HG2 THR 60 6.762 8.091 8.867 466 3HG2 THR 60 3HG2 THR 60 6.785 7.126 7.390 467 H GLY 61 H GLY 61 2.469 10.982 7.841 468 1HA GLY 61 1HA GLY 61 1.810 12.949 6.882 469 2HA GLY 61 2HA GLY 61 3.321 13.598 7.494 470 H LEU 62 H LEU 62 3.247 10.998 5.138 471 HA LEU 62 HA LEU 62 4.619 12.810 3.283 472 1HB LEU 62 1HB LEU 62 4.516 9.793 3.361 473 2HB LEU 62 2HB LEU 62 5.405 10.738 2.181 474 HG LEU 62 HG LEU 62 5.944 10.665 5.152 475 1HD1 LEU 62 1HD1 LEU 62 7.467 9.515 2.819 476 2HD1 LEU 62 2HD1 LEU 62 6.590 8.605 4.051 477 3HD1 LEU 62 3HD1 LEU 62 8.022 9.536 4.493 478 1HD2 LEU 62 1HD2 LEU 62 7.412 12.093 2.932 479 2HD2 LEU 62 2HD2 LEU 62 7.938 11.984 4.612 480 3HD2 LEU 62 3HD2 LEU 62 6.459 12.853 4.208 481 H ARG 63 H ARG 63 4.233 12.511 0.973 482 HA ARG 63 HA ARG 63 1.448 11.740 0.396 483 1HB ARG 63 1HB ARG 63 3.051 14.053 -0.696 484 2HB ARG 63 2HB ARG 63 1.565 13.478 -1.440 485 1HG ARG 63 1HG ARG 63 0.348 13.962 0.621 486 2HG ARG 63 2HG ARG 63 1.838 14.559 1.357 487 1HD ARG 63 1HD ARG 63 0.425 16.381 0.497 488 2HD ARG 63 2HD ARG 63 1.994 16.312 -0.305 489 HE ARG 63 HE ARG 63 0.183 14.816 -1.827 490 1HH1 ARG 63 1HH1 ARG 63 0.685 18.145 -0.869 491 2HH1 ARG 63 2HH1 ARG 63 0.024 18.803 -2.337 492 1HH2 ARG 63 1HH2 ARG 63 -0.714 15.693 -3.760 493 2HH2 ARG 63 2HH2 ARG 63 -0.792 17.416 -3.958 494 H TYR 64 H TYR 64 1.073 10.785 -1.637 495 HA TYR 64 HA TYR 64 3.486 9.899 -3.052 496 1HB TYR 64 1HB TYR 64 2.501 7.634 -3.282 497 2HB TYR 64 2HB TYR 64 2.858 8.056 -1.614 498 HD1 TYR 64 HD1 TYR 64 0.841 9.039 -0.250 499 HD2 TYR 64 HD2 TYR 64 0.436 6.735 -3.801 500 HE1 TYR 64 HE1 TYR 64 -1.457 8.467 0.392 501 HE2 TYR 64 HE2 TYR 64 -1.866 6.154 -3.167 502 HH TYR 64 HH TYR 64 -3.228 5.999 -1.132 503 H GLN 65 H GLN 65 3.409 10.304 -5.103 504 HA GLN 65 HA GLN 65 0.818 10.693 -6.435 505 1HB GLN 65 1HB GLN 65 3.574 11.372 -7.481 506 2HB GLN 65 2HB GLN 65 2.028 11.924 -8.114 507 1HG GLN 65 1HG GLN 65 1.648 13.246 -6.123 508 2HG GLN 65 2HG GLN 65 3.145 12.643 -5.412 509 1HE2 GLN 65 1HE2 GLN 65 4.530 12.757 -8.016 510 2HE2 GLN 65 2HE2 GLN 65 4.875 14.429 -8.282 511 H ILE 66 H ILE 66 0.087 9.036 -7.666 512 HA ILE 66 HA ILE 66 2.084 7.070 -8.578 513 HB ILE 66 HB ILE 66 -0.825 6.630 -7.895 514 1HG1 ILE 66 1HG1 ILE 66 1.780 5.710 -6.670 515 2HG1 ILE 66 2HG1 ILE 66 0.534 6.700 -5.921 516 1HG2 ILE 66 1HG2 ILE 66 -0.454 4.282 -8.482 517 2HG2 ILE 66 2HG2 ILE 66 1.178 4.670 -9.024 518 3HG2 ILE 66 3HG2 ILE 66 -0.216 5.335 -9.877 519 1HD1 ILE 66 1HD1 ILE 66 -0.984 4.796 -5.921 520 2HD1 ILE 66 2HD1 ILE 66 0.518 4.422 -5.068 521 3HD1 ILE 66 3HD1 ILE 66 0.254 3.809 -6.703 522 H ASP 67 H ASP 67 2.453 7.024 -10.633 523 HA ASP 67 HA ASP 67 0.266 7.539 -12.526 524 1HB ASP 67 1HB ASP 67 1.718 9.565 -12.313 525 2HB ASP 67 2HB ASP 67 3.093 8.588 -12.818 526 H GLY 68 H GLY 68 -0.011 5.528 -13.334 527 1HA GLY 68 1HA GLY 68 0.455 3.600 -14.507 528 2HA GLY 68 2HA GLY 68 2.009 4.309 -14.929 529 H ASN 69 H ASN 69 3.808 3.593 -13.941 530 HA ASN 69 HA ASN 69 3.465 1.919 -11.532 531 1HB ASN 69 1HB ASN 69 5.211 0.448 -12.211 532 2HB ASN 69 2HB ASN 69 4.167 0.623 -13.614 533 1HD2 ASN 69 1HD2 ASN 69 7.016 -0.113 -13.319 534 2HD2 ASN 69 2HD2 ASN 69 7.891 0.978 -14.345 535 H THR 70 H THR 70 4.034 4.805 -12.102 536 HA THR 70 HA THR 70 6.699 5.058 -10.878 537 HB THR 70 HB THR 70 5.150 7.179 -12.379 538 HG1 THR 70 HG1 THR 70 6.440 5.017 -13.334 539 1HG2 THR 70 1HG2 THR 70 6.870 8.036 -10.863 540 2HG2 THR 70 2HG2 THR 70 7.325 8.292 -12.548 541 3HG2 THR 70 3HG2 THR 70 8.069 6.989 -11.620 542 H VAL 71 H VAL 71 6.688 5.611 -8.791 543 HA VAL 71 HA VAL 71 4.370 7.122 -7.760 544 HB VAL 71 HB VAL 71 5.936 5.062 -6.207 545 1HG1 VAL 71 1HG1 VAL 71 3.370 6.518 -5.596 546 2HG1 VAL 71 2HG1 VAL 71 4.933 6.774 -4.820 547 3HG1 VAL 71 3HG1 VAL 71 4.080 5.243 -4.603 548 1HG2 VAL 71 1HG2 VAL 71 4.732 3.934 -7.976 549 2HG2 VAL 71 2HG2 VAL 71 3.249 4.787 -7.547 550 3HG2 VAL 71 3HG2 VAL 71 3.950 3.619 -6.428 551 H THR 72 H THR 72 4.850 8.949 -6.731 552 HA THR 72 HA THR 72 7.684 9.489 -6.147 553 HB THR 72 HB THR 72 5.479 11.537 -6.405 554 HG1 THR 72 HG1 THR 72 6.558 10.021 -8.330 555 1HG2 THR 72 1HG2 THR 72 7.340 13.076 -6.831 556 2HG2 THR 72 2HG2 THR 72 8.485 11.750 -6.629 557 3HG2 THR 72 3HG2 THR 72 7.511 12.290 -5.262 558 H VAL 73 H VAL 73 8.187 9.254 -4.072 559 HA VAL 73 HA VAL 73 6.155 9.653 -2.011 560 HB VAL 73 HB VAL 73 9.002 8.682 -1.679 561 1HG1 VAL 73 1HG1 VAL 73 8.156 7.792 0.465 562 2HG1 VAL 73 2HG1 VAL 73 6.614 8.591 0.159 563 3HG1 VAL 73 3HG1 VAL 73 8.078 9.552 0.373 564 1HG2 VAL 73 1HG2 VAL 73 8.048 6.423 -1.539 565 2HG2 VAL 73 2HG2 VAL 73 7.783 7.152 -3.124 566 3HG2 VAL 73 3HG2 VAL 73 6.462 7.077 -1.956 567 H THR 74 H THR 74 5.918 11.812 -1.779 568 HA THR 74 HA THR 74 8.356 13.417 -1.401 569 HB THR 74 HB THR 74 7.143 14.056 -3.423 570 HG1 THR 74 HG1 THR 74 8.095 15.677 -1.876 571 1HG2 THR 74 1HG2 THR 74 4.805 14.571 -1.583 572 2HG2 THR 74 2HG2 THR 74 4.904 13.327 -2.828 573 3HG2 THR 74 3HG2 THR 74 4.885 15.029 -3.286 574 H ALA 75 H ALA 75 8.405 14.921 0.258 575 HA ALA 75 HA ALA 75 6.690 14.331 2.501 576 1HB ALA 75 1HB ALA 75 8.185 15.820 3.749 577 2HB ALA 75 2HB ALA 75 9.000 16.260 2.249 578 3HB ALA 75 3HB ALA 75 9.097 14.605 2.852 579 H SER 76 H SER 76 5.203 15.702 3.398 580 HA SER 76 HA SER 76 4.043 17.678 1.708 581 1HB SER 76 1HB SER 76 3.478 17.132 4.632 582 2HB SER 76 2HB SER 76 2.417 17.952 3.487 583 HG SER 76 HG SER 76 2.874 15.258 3.857 584 H ALA 77 H ALA 77 5.449 19.335 1.339 585 HA ALA 77 HA ALA 77 5.927 21.157 3.566 586 1HB ALA 77 1HB ALA 77 8.162 20.147 1.803 587 2HB ALA 77 2HB ALA 77 7.930 19.749 3.506 588 3HB ALA 77 3HB ALA 77 8.300 21.407 3.030 589 H ALA 78 H ALA 78 4.077 21.737 1.888 590 HA ALA 78 HA ALA 78 4.708 22.897 -0.574 591 1HB ALA 78 1HB ALA 78 2.529 23.655 1.370 592 2HB ALA 78 2HB ALA 78 2.419 22.420 0.115 593 3HB ALA 78 3HB ALA 78 2.595 24.118 -0.329 594 H ALA 79 H ALA 79 5.473 24.853 -1.183 595 HA ALA 79 HA ALA 79 7.010 26.368 0.649 596 1HB ALA 79 1HB ALA 79 7.401 27.876 -1.240 597 2HB ALA 79 2HB ALA 79 6.121 27.068 -2.147 598 3HB ALA 79 3HB ALA 79 7.586 26.188 -1.717 599 H LYS 80 H LYS 80 6.521 28.119 1.831 600 HA LYS 80 HA LYS 80 3.838 28.791 2.321 601 1HB LYS 80 1HB LYS 80 5.679 29.099 3.968 602 2HB LYS 80 2HB LYS 80 6.299 30.423 2.990 603 1HG LYS 80 1HG LYS 80 4.199 31.647 3.337 604 2HG LYS 80 2HG LYS 80 3.617 30.332 4.357 605 1HD LYS 80 1HD LYS 80 4.436 32.064 5.781 606 2HD LYS 80 2HD LYS 80 5.585 30.728 5.848 607 1HE LYS 80 1HE LYS 80 6.678 32.938 5.699 608 2HE LYS 80 2HE LYS 80 7.083 31.876 4.351 609 1HZ LYS 80 1HZ LYS 80 5.786 33.099 2.891 610 2HZ LYS 80 2HZ LYS 80 6.487 34.301 3.854 611 3HZ LYS 80 3HZ LYS 80 4.877 33.833 4.122 612 H ASP 81 H ASP 81 2.580 30.483 1.717 613 HA ASP 81 HA ASP 81 3.662 32.519 -0.073 614 1HB ASP 81 1HB ASP 81 2.762 30.737 -1.555 615 2HB ASP 81 2HB ASP 81 1.201 30.878 -0.749 616 H GLY 82 H GLY 82 3.406 33.941 1.619 617 1HA GLY 82 1HA GLY 82 1.350 35.583 1.898 618 2HA GLY 82 2HA GLY 82 0.782 34.224 2.863 Start of MODEL 16 1 1H SER 1 1H SER 1 -9.414 -7.278 -9.730 2 2H SER 1 2H SER 1 -9.304 -6.017 -8.598 3 3H SER 1 3H SER 1 -10.728 -6.924 -8.712 4 HA SER 1 HA SER 1 -9.413 -7.537 -6.784 5 1HB SER 1 1HB SER 1 -9.627 -9.638 -8.956 6 2HB SER 1 2HB SER 1 -9.390 -9.984 -7.242 7 HG SER 1 HG SER 1 -11.397 -8.676 -6.954 8 H GLN 2 H GLN 2 -7.490 -6.079 -8.297 9 HA GLN 2 HA GLN 2 -5.217 -7.886 -8.548 10 1HB GLN 2 1HB GLN 2 -5.505 -4.934 -9.128 11 2HB GLN 2 2HB GLN 2 -4.009 -5.838 -9.327 12 1HG GLN 2 1HG GLN 2 -5.148 -7.302 -10.955 13 2HG GLN 2 2HG GLN 2 -6.592 -6.302 -10.799 14 1HE2 GLN 2 1HE2 GLN 2 -6.561 -5.720 -12.953 15 2HE2 GLN 2 2HE2 GLN 2 -5.389 -4.621 -13.597 16 H GLU 3 H GLU 3 -5.779 -8.166 -6.143 17 HA GLU 3 HA GLU 3 -4.320 -6.213 -4.519 18 1HB GLU 3 1HB GLU 3 -6.264 -8.409 -3.792 19 2HB GLU 3 2HB GLU 3 -5.248 -7.626 -2.590 20 1HG GLU 3 1HG GLU 3 -7.356 -6.579 -2.490 21 2HG GLU 3 2HG GLU 3 -6.269 -5.445 -3.281 22 H TRP 4 H TRP 4 -2.764 -7.075 -2.969 23 HA TRP 4 HA TRP 4 -1.515 -9.581 -3.859 24 1HB TRP 4 1HB TRP 4 -0.082 -6.931 -3.541 25 2HB TRP 4 2HB TRP 4 0.716 -8.481 -3.781 26 HD1 TRP 4 HD1 TRP 4 0.215 -9.700 -6.217 27 HE1 TRP 4 HE1 TRP 4 -0.125 -8.620 -8.532 28 HE3 TRP 4 HE3 TRP 4 -0.949 -4.958 -4.714 29 HZ2 TRP 4 HZ2 TRP 4 -0.805 -6.072 -9.570 30 HZ3 TRP 4 HZ3 TRP 4 -1.428 -3.258 -6.424 31 HH2 TRP 4 HH2 TRP 4 -1.357 -3.805 -8.804 32 H THR 5 H THR 5 0.039 -10.432 -2.312 33 HA THR 5 HA THR 5 -0.562 -9.602 0.437 34 HB THR 5 HB THR 5 1.068 -11.982 -0.510 35 HG1 THR 5 HG1 THR 5 -1.290 -11.948 -1.030 36 1HG2 THR 5 1HG2 THR 5 1.608 -11.267 1.764 37 2HG2 THR 5 2HG2 THR 5 0.736 -12.801 1.785 38 3HG2 THR 5 3HG2 THR 5 -0.102 -11.303 2.195 39 H LEU 6 H LEU 6 0.619 -7.838 0.871 40 HA LEU 6 HA LEU 6 3.363 -7.696 -0.164 41 1HB LEU 6 1HB LEU 6 1.560 -5.479 0.814 42 2HB LEU 6 2HB LEU 6 3.153 -5.271 0.116 43 HG LEU 6 HG LEU 6 0.733 -6.351 -1.333 44 1HD1 LEU 6 1HD1 LEU 6 2.168 -3.713 -1.610 45 2HD1 LEU 6 2HD1 LEU 6 0.601 -3.950 -0.837 46 3HD1 LEU 6 3HD1 LEU 6 0.788 -4.261 -2.563 47 1HD2 LEU 6 1HD2 LEU 6 2.797 -7.340 -2.156 48 2HD2 LEU 6 2HD2 LEU 6 3.517 -5.738 -2.317 49 3HD2 LEU 6 3HD2 LEU 6 2.148 -6.194 -3.330 50 H ASP 7 H ASP 7 4.905 -8.133 1.244 51 HA ASP 7 HA ASP 7 4.468 -7.589 4.088 52 1HB ASP 7 1HB ASP 7 5.285 -9.813 3.620 53 2HB ASP 7 2HB ASP 7 6.601 -9.172 2.640 54 H ILE 8 H ILE 8 4.929 -5.540 4.593 55 HA ILE 8 HA ILE 8 7.309 -4.288 3.420 56 HB ILE 8 HB ILE 8 4.804 -3.178 4.624 57 1HG1 ILE 8 1HG1 ILE 8 5.006 -1.621 2.686 58 2HG1 ILE 8 2HG1 ILE 8 6.489 -2.440 2.219 59 1HG2 ILE 8 1HG2 ILE 8 7.385 -1.622 4.488 60 2HG2 ILE 8 2HG2 ILE 8 6.569 -2.143 5.961 61 3HG2 ILE 8 3HG2 ILE 8 5.797 -0.969 4.895 62 1HD1 ILE 8 1HD1 ILE 8 4.621 -3.181 0.873 63 2HD1 ILE 8 2HD1 ILE 8 3.746 -3.672 2.325 64 3HD1 ILE 8 3HD1 ILE 8 5.231 -4.505 1.865 65 HA PRO 9 HA PRO 9 9.551 -5.208 7.136 66 1HB PRO 9 1HB PRO 9 11.383 -3.119 6.109 67 2HB PRO 9 2HB PRO 9 11.703 -4.820 6.476 68 1HG PRO 9 1HG PRO 9 11.572 -3.970 3.956 69 2HG PRO 9 2HG PRO 9 10.896 -5.545 4.423 70 1HD PRO 9 1HD PRO 9 9.483 -2.941 3.953 71 2HD PRO 9 2HD PRO 9 9.038 -4.574 3.413 72 H ALA 10 H ALA 10 10.337 -4.213 9.031 73 HA ALA 10 HA ALA 10 9.186 -1.557 9.603 74 1HB ALA 10 1HB ALA 10 8.432 -3.411 11.051 75 2HB ALA 10 2HB ALA 10 9.308 -2.176 11.952 76 3HB ALA 10 3HB ALA 10 10.104 -3.692 11.536 77 H GLN 11 H GLN 11 11.589 -1.945 8.119 78 HA GLN 11 HA GLN 11 13.708 -1.057 9.933 79 1HB GLN 11 1HB GLN 11 13.829 -1.574 6.952 80 2HB GLN 11 2HB GLN 11 15.195 -1.293 8.017 81 1HG GLN 11 1HG GLN 11 14.846 -3.389 9.118 82 2HG GLN 11 2HG GLN 11 13.344 -3.652 8.228 83 1HE2 GLN 11 1HE2 GLN 11 14.054 -5.565 7.315 84 2HE2 GLN 11 2HE2 GLN 11 15.244 -5.605 6.056 85 H SER 12 H SER 12 15.126 0.657 8.312 86 HA SER 12 HA SER 12 13.762 3.074 8.228 87 1HB SER 12 1HB SER 12 16.047 2.142 6.464 88 2HB SER 12 2HB SER 12 15.552 3.819 6.686 89 HG SER 12 HG SER 12 16.106 3.646 8.876 90 H MET 13 H MET 13 12.647 4.156 6.656 91 HA MET 13 HA MET 13 10.824 2.854 5.077 92 1HB MET 13 1HB MET 13 10.698 5.226 5.755 93 2HB MET 13 2HB MET 13 11.966 5.613 4.603 94 1HG MET 13 1HG MET 13 9.876 6.226 3.650 95 2HG MET 13 2HG MET 13 10.485 4.820 2.781 96 1HE MET 13 1HE MET 13 7.917 6.158 5.402 97 2HE MET 13 2HE MET 13 8.774 4.932 6.338 98 3HE MET 13 3HE MET 13 7.081 4.684 5.899 99 H ASN 14 H ASN 14 14.116 3.565 4.326 100 HA ASN 14 HA ASN 14 14.181 3.375 1.559 101 1HB ASN 14 1HB ASN 14 16.158 3.937 2.889 102 2HB ASN 14 2HB ASN 14 16.180 2.314 3.571 103 1HD2 ASN 14 1HD2 ASN 14 18.133 1.692 2.813 104 2HD2 ASN 14 2HD2 ASN 14 18.499 1.491 1.129 105 H SER 15 H SER 15 14.202 0.775 4.011 106 HA SER 15 HA SER 15 14.507 -1.282 2.027 107 1HB SER 15 1HB SER 15 13.755 -1.532 4.949 108 2HB SER 15 2HB SER 15 14.322 -2.829 3.899 109 HG SER 15 HG SER 15 16.056 -2.104 5.086 110 H ALA 16 H ALA 16 11.882 0.054 3.977 111 HA ALA 16 HA ALA 16 9.856 -1.728 3.353 112 1HB ALA 16 1HB ALA 16 9.658 0.074 5.013 113 2HB ALA 16 2HB ALA 16 8.301 0.049 3.889 114 3HB ALA 16 3HB ALA 16 9.575 1.252 3.704 115 H LEU 17 H LEU 17 10.704 1.279 1.628 116 HA LEU 17 HA LEU 17 8.819 0.843 -0.460 117 1HB LEU 17 1HB LEU 17 11.250 2.631 -0.354 118 2HB LEU 17 2HB LEU 17 10.014 2.689 -1.599 119 HG LEU 17 HG LEU 17 9.572 3.254 1.334 120 1HD1 LEU 17 1HD1 LEU 17 10.861 5.002 0.253 121 2HD1 LEU 17 2HD1 LEU 17 9.225 5.561 0.604 122 3HD1 LEU 17 3HD1 LEU 17 9.666 5.103 -1.041 123 1HD2 LEU 17 1HD2 LEU 17 7.684 3.507 -1.005 124 2HD2 LEU 17 2HD2 LEU 17 7.341 3.953 0.668 125 3HD2 LEU 17 3HD2 LEU 17 7.611 2.261 0.242 126 H GLN 18 H GLN 18 12.215 0.068 -0.020 127 HA GLN 18 HA GLN 18 12.813 -0.809 -2.614 128 1HB GLN 18 1HB GLN 18 14.489 -0.464 -0.835 129 2HB GLN 18 2HB GLN 18 13.852 -1.853 0.031 130 1HG GLN 18 1HG GLN 18 14.478 -3.271 -1.908 131 2HG GLN 18 2HG GLN 18 15.243 -1.859 -2.633 132 1HE2 GLN 18 1HE2 GLN 18 17.293 -2.696 -2.592 133 2HE2 GLN 18 2HE2 GLN 18 18.181 -2.927 -1.123 134 H ALA 19 H ALA 19 11.607 -2.603 0.199 135 HA ALA 19 HA ALA 19 11.364 -5.092 -1.120 136 1HB ALA 19 1HB ALA 19 9.881 -4.073 1.300 137 2HB ALA 19 2HB ALA 19 11.429 -4.919 1.308 138 3HB ALA 19 3HB ALA 19 9.970 -5.755 0.775 139 H LEU 20 H LEU 20 9.238 -2.314 -0.826 140 HA LEU 20 HA LEU 20 6.875 -3.568 -1.791 141 1HB LEU 20 1HB LEU 20 6.859 -1.452 -0.533 142 2HB LEU 20 2HB LEU 20 7.710 -0.664 -1.849 143 HG LEU 20 HG LEU 20 5.760 -1.089 -3.321 144 1HD1 LEU 20 1HD1 LEU 20 4.467 -2.070 -0.782 145 2HD1 LEU 20 2HD1 LEU 20 4.850 -3.040 -2.203 146 3HD1 LEU 20 3HD1 LEU 20 3.637 -1.765 -2.309 147 1HD2 LEU 20 1HD2 LEU 20 4.316 0.606 -2.308 148 2HD2 LEU 20 2HD2 LEU 20 6.019 1.044 -2.180 149 3HD2 LEU 20 3HD2 LEU 20 5.163 0.411 -0.772 150 H ALA 21 H ALA 21 9.586 -1.920 -3.272 151 HA ALA 21 HA ALA 21 8.439 -1.520 -5.846 152 1HB ALA 21 1HB ALA 21 11.340 -1.702 -5.031 153 2HB ALA 21 2HB ALA 21 10.368 -0.232 -5.111 154 3HB ALA 21 3HB ALA 21 10.751 -1.119 -6.586 155 H LYS 22 H LYS 22 10.586 -3.954 -4.489 156 HA LYS 22 HA LYS 22 10.833 -5.587 -6.784 157 1HB LYS 22 1HB LYS 22 12.316 -5.581 -4.754 158 2HB LYS 22 2HB LYS 22 11.036 -6.393 -3.874 159 1HG LYS 22 1HG LYS 22 12.403 -8.145 -4.446 160 2HG LYS 22 2HG LYS 22 11.226 -8.171 -5.762 161 1HD LYS 22 1HD LYS 22 13.830 -6.677 -5.967 162 2HD LYS 22 2HD LYS 22 13.696 -8.381 -6.393 163 1HE LYS 22 1HE LYS 22 11.948 -6.247 -7.584 164 2HE LYS 22 2HE LYS 22 13.483 -6.739 -8.297 165 1HZ LYS 22 1HZ LYS 22 11.312 -7.836 -9.095 166 2HZ LYS 22 2HZ LYS 22 11.431 -8.764 -7.675 167 3HZ LYS 22 3HZ LYS 22 12.675 -8.810 -8.828 168 H GLN 23 H GLN 23 8.321 -5.193 -4.462 169 HA GLN 23 HA GLN 23 7.319 -7.900 -4.766 170 1HB GLN 23 1HB GLN 23 7.631 -6.624 -2.573 171 2HB GLN 23 2HB GLN 23 6.190 -5.731 -3.027 172 1HG GLN 23 1HG GLN 23 4.831 -7.624 -2.860 173 2HG GLN 23 2HG GLN 23 6.216 -8.715 -2.874 174 1HE2 GLN 23 1HE2 GLN 23 6.293 -5.797 -1.010 175 2HE2 GLN 23 2HE2 GLN 23 6.182 -6.538 0.549 176 H THR 24 H THR 24 6.474 -4.644 -5.769 177 HA THR 24 HA THR 24 4.018 -5.758 -6.965 178 HB THR 24 HB THR 24 3.228 -3.354 -7.084 179 HG1 THR 24 HG1 THR 24 4.767 -1.978 -6.605 180 1HG2 THR 24 1HG2 THR 24 3.700 -4.533 -4.343 181 2HG2 THR 24 2HG2 THR 24 2.358 -4.917 -5.422 182 3HG2 THR 24 3HG2 THR 24 2.506 -3.296 -4.742 183 H ASP 25 H ASP 25 7.064 -4.929 -7.706 184 HA ASP 25 HA ASP 25 8.235 -4.438 -9.578 185 1HB ASP 25 1HB ASP 25 6.741 -6.345 -10.410 186 2HB ASP 25 2HB ASP 25 5.756 -5.099 -11.172 187 H THR 26 H THR 26 7.210 -2.268 -8.320 188 HA THR 26 HA THR 26 6.320 -0.506 -10.514 189 HB THR 26 HB THR 26 5.984 0.330 -7.676 190 HG1 THR 26 HG1 THR 26 4.537 -1.763 -8.952 191 1HG2 THR 26 1HG2 THR 26 4.339 0.590 -10.198 192 2HG2 THR 26 2HG2 THR 26 5.243 1.859 -9.373 193 3HG2 THR 26 3HG2 THR 26 3.808 1.167 -8.624 194 H GLN 27 H GLN 27 7.058 1.828 -10.147 195 HA GLN 27 HA GLN 27 9.901 1.756 -9.444 196 1HB GLN 27 1HB GLN 27 9.259 2.563 -11.707 197 2HB GLN 27 2HB GLN 27 8.362 3.878 -10.959 198 1HG GLN 27 1HG GLN 27 10.457 4.743 -11.662 199 2HG GLN 27 2HG GLN 27 10.489 4.632 -9.905 200 1HE2 GLN 27 1HE2 GLN 27 11.742 3.423 -12.877 201 2HE2 GLN 27 2HE2 GLN 27 13.039 2.494 -12.201 202 H LEU 28 H LEU 28 10.497 2.513 -7.555 203 HA LEU 28 HA LEU 28 8.705 4.362 -6.135 204 1HB LEU 28 1HB LEU 28 10.495 2.156 -5.207 205 2HB LEU 28 2HB LEU 28 10.190 3.503 -4.131 206 HG LEU 28 HG LEU 28 8.699 1.663 -3.615 207 1HD1 LEU 28 1HD1 LEU 28 6.549 2.824 -3.770 208 2HD1 LEU 28 2HD1 LEU 28 7.251 3.957 -4.925 209 3HD1 LEU 28 3HD1 LEU 28 7.851 3.903 -3.267 210 1HD2 LEU 28 1HD2 LEU 28 8.634 0.576 -5.797 211 2HD2 LEU 28 2HD2 LEU 28 7.701 1.924 -6.451 212 3HD2 LEU 28 3HD2 LEU 28 7.006 0.891 -5.201 213 H LEU 29 H LEU 29 9.371 6.379 -6.131 214 HA LEU 29 HA LEU 29 12.255 6.937 -6.208 215 1HB LEU 29 1HB LEU 29 9.889 8.665 -6.950 216 2HB LEU 29 2HB LEU 29 11.539 9.238 -6.890 217 HG LEU 29 HG LEU 29 11.128 8.867 -9.158 218 1HD1 LEU 29 1HD1 LEU 29 13.253 7.936 -8.473 219 2HD1 LEU 29 2HD1 LEU 29 12.560 6.990 -9.789 220 3HD1 LEU 29 3HD1 LEU 29 12.487 6.384 -8.135 221 1HD2 LEU 29 1HD2 LEU 29 10.135 6.819 -10.065 222 2HD2 LEU 29 2HD2 LEU 29 9.041 7.655 -8.963 223 3HD2 LEU 29 3HD2 LEU 29 9.902 6.214 -8.424 224 H TYR 30 H TYR 30 13.076 7.368 -4.289 225 HA TYR 30 HA TYR 30 11.612 9.125 -2.487 226 1HB TYR 30 1HB TYR 30 12.152 7.642 -0.545 227 2HB TYR 30 2HB TYR 30 10.969 6.969 -1.656 228 HD1 TYR 30 HD1 TYR 30 11.513 5.039 -3.032 229 HD2 TYR 30 HD2 TYR 30 14.354 6.656 -0.309 230 HE1 TYR 30 HE1 TYR 30 12.849 2.987 -3.220 231 HE2 TYR 30 HE2 TYR 30 15.700 4.610 -0.493 232 HH TYR 30 HH TYR 30 15.402 2.257 -1.088 233 H SER 31 H SER 31 12.889 10.391 -1.224 234 HA SER 31 HA SER 31 15.738 10.334 -1.886 235 1HB SER 31 1HB SER 31 14.120 12.550 -0.609 236 2HB SER 31 2HB SER 31 15.743 12.677 -1.287 237 HG SER 31 HG SER 31 14.541 13.355 -2.935 238 HA PRO 32 HA PRO 32 16.332 8.353 2.059 239 1HB PRO 32 1HB PRO 32 19.144 9.171 1.572 240 2HB PRO 32 2HB PRO 32 18.477 7.571 1.914 241 1HG PRO 32 1HG PRO 32 19.282 8.211 -0.544 242 2HG PRO 32 2HG PRO 32 17.832 7.222 -0.286 243 1HD PRO 32 1HD PRO 32 18.051 10.118 -0.996 244 2HD PRO 32 2HD PRO 32 16.895 8.901 -1.572 245 H GLU 33 H GLU 33 17.927 11.452 1.359 246 HA GLU 33 HA GLU 33 18.273 12.027 4.166 247 1HB GLU 33 1HB GLU 33 18.752 14.414 2.937 248 2HB GLU 33 2HB GLU 33 19.957 13.173 3.234 249 1HG GLU 33 1HG GLU 33 20.082 14.014 0.963 250 2HG GLU 33 2HG GLU 33 19.651 12.307 0.990 251 H ASP 34 H ASP 34 15.821 12.510 1.819 252 HA ASP 34 HA ASP 34 14.650 14.789 3.178 253 1HB ASP 34 1HB ASP 34 14.519 14.613 0.722 254 2HB ASP 34 2HB ASP 34 13.577 13.136 0.883 255 H ILE 35 H ILE 35 14.286 11.327 3.107 256 HA ILE 35 HA ILE 35 11.849 11.470 4.718 257 HB ILE 35 HB ILE 35 11.801 9.018 4.523 258 1HG1 ILE 35 1HG1 ILE 35 14.301 9.391 2.854 259 2HG1 ILE 35 2HG1 ILE 35 14.215 8.601 4.424 260 1HG2 ILE 35 1HG2 ILE 35 10.663 10.349 2.849 261 2HG2 ILE 35 2HG2 ILE 35 11.351 8.904 2.108 262 3HG2 ILE 35 3HG2 ILE 35 12.145 10.465 1.898 263 1HD1 ILE 35 1HD1 ILE 35 14.353 6.972 2.646 264 2HD1 ILE 35 2HD1 ILE 35 12.917 7.654 1.883 265 3HD1 ILE 35 3HD1 ILE 35 12.791 6.866 3.453 266 H GLY 36 H GLY 36 15.119 11.557 5.196 267 1HA GLY 36 1HA GLY 36 16.345 11.602 7.131 268 2HA GLY 36 2HA GLY 36 14.834 11.449 8.010 269 H GLY 37 H GLY 37 15.107 8.901 5.874 270 1HA GLY 37 1HA GLY 37 15.519 6.662 6.154 271 2HA GLY 37 2HA GLY 37 16.840 7.140 7.208 272 H LEU 38 H LEU 38 13.395 7.800 7.680 273 HA LEU 38 HA LEU 38 13.555 6.876 10.395 274 1HB LEU 38 1HB LEU 38 11.157 7.484 10.486 275 2HB LEU 38 2HB LEU 38 12.172 8.786 9.907 276 HG LEU 38 HG LEU 38 11.454 7.913 7.537 277 1HD1 LEU 38 1HD1 LEU 38 9.176 6.937 9.253 278 2HD1 LEU 38 2HD1 LEU 38 10.282 5.924 8.325 279 3HD1 LEU 38 3HD1 LEU 38 9.187 7.027 7.490 280 1HD2 LEU 38 1HD2 LEU 38 10.957 10.121 8.456 281 2HD2 LEU 38 2HD2 LEU 38 9.576 9.452 9.327 282 3HD2 LEU 38 3HD2 LEU 38 9.582 9.474 7.564 283 H ARG 39 H ARG 39 12.098 5.194 11.294 284 HA ARG 39 HA ARG 39 12.135 2.905 9.501 285 1HB ARG 39 1HB ARG 39 11.711 1.504 11.411 286 2HB ARG 39 2HB ARG 39 13.016 2.608 11.787 287 1HG ARG 39 1HG ARG 39 10.180 3.100 12.645 288 2HG ARG 39 2HG ARG 39 11.323 2.166 13.608 289 1HD ARG 39 1HD ARG 39 11.547 5.059 12.796 290 2HD ARG 39 2HD ARG 39 11.282 4.421 14.418 291 HE ARG 39 HE ARG 39 13.781 4.050 12.892 292 1HH1 ARG 39 1HH1 ARG 39 12.062 4.464 15.909 293 2HH1 ARG 39 2HH1 ARG 39 13.507 4.556 16.868 294 1HH2 ARG 39 1HH2 ARG 39 15.678 4.186 14.129 295 2HH2 ARG 39 2HH2 ARG 39 15.570 4.413 15.856 296 H SER 40 H SER 40 10.421 1.765 8.824 297 HA SER 40 HA SER 40 7.915 3.223 8.803 298 1HB SER 40 1HB SER 40 7.353 1.351 7.116 299 2HB SER 40 2HB SER 40 8.578 2.533 6.655 300 HG SER 40 HG SER 40 8.854 -0.172 7.309 301 H SER 41 H SER 41 5.911 2.252 9.250 302 HA SER 41 HA SER 41 5.970 0.194 11.299 303 1HB SER 41 1HB SER 41 3.576 1.656 10.139 304 2HB SER 41 2HB SER 41 3.642 0.754 11.655 305 HG SER 41 HG SER 41 3.841 2.964 12.078 306 H ALA 42 H ALA 42 5.383 -1.875 10.969 307 HA ALA 42 HA ALA 42 5.642 -3.003 8.464 308 1HB ALA 42 1HB ALA 42 4.851 -5.078 9.451 309 2HB ALA 42 2HB ALA 42 4.200 -4.192 10.829 310 3HB ALA 42 3HB ALA 42 5.941 -4.240 10.555 311 H LEU 43 H LEU 43 4.423 -2.687 6.778 312 HA LEU 43 HA LEU 43 1.496 -2.838 7.048 313 1HB LEU 43 1HB LEU 43 2.691 -0.805 5.960 314 2HB LEU 43 2HB LEU 43 3.005 -1.884 4.616 315 HG LEU 43 HG LEU 43 1.045 -0.396 4.275 316 1HD1 LEU 43 1HD1 LEU 43 0.402 -3.337 4.376 317 2HD1 LEU 43 2HD1 LEU 43 1.151 -2.473 3.034 318 3HD1 LEU 43 3HD1 LEU 43 -0.514 -2.119 3.492 319 1HD2 LEU 43 1HD2 LEU 43 -0.161 -1.998 6.520 320 2HD2 LEU 43 2HD2 LEU 43 -1.025 -0.856 5.491 321 3HD2 LEU 43 3HD2 LEU 43 0.253 -0.283 6.563 322 H LYS 44 H LYS 44 1.268 -5.063 7.052 323 HA LYS 44 HA LYS 44 2.067 -6.377 4.573 324 1HB LYS 44 1HB LYS 44 2.763 -8.393 5.893 325 2HB LYS 44 2HB LYS 44 3.831 -7.003 5.997 326 1HG LYS 44 1HG LYS 44 2.798 -6.433 8.178 327 2HG LYS 44 2HG LYS 44 1.862 -7.926 8.078 328 1HD LYS 44 1HD LYS 44 4.873 -7.722 8.074 329 2HD LYS 44 2HD LYS 44 3.872 -8.233 9.435 330 1HE LYS 44 1HE LYS 44 3.308 -10.242 8.439 331 2HE LYS 44 2HE LYS 44 3.635 -9.642 6.813 332 1HZ LYS 44 1HZ LYS 44 5.739 -10.114 8.853 333 2HZ LYS 44 2HZ LYS 44 5.958 -9.757 7.203 334 3HZ LYS 44 3HZ LYS 44 5.294 -11.245 7.671 335 H GLY 45 H GLY 45 0.423 -7.215 3.651 336 1HA GLY 45 1HA GLY 45 -1.301 -9.121 4.710 337 2HA GLY 45 2HA GLY 45 -2.108 -7.563 4.873 338 H ARG 46 H ARG 46 -3.682 -8.561 3.364 339 HA ARG 46 HA ARG 46 -2.691 -8.604 0.597 340 1HB ARG 46 1HB ARG 46 -4.031 -10.557 1.396 341 2HB ARG 46 2HB ARG 46 -5.402 -9.476 1.605 342 1HG ARG 46 1HG ARG 46 -5.435 -8.988 -0.757 343 2HG ARG 46 2HG ARG 46 -3.982 -9.958 -1.005 344 1HD ARG 46 1HD ARG 46 -5.251 -11.927 -0.136 345 2HD ARG 46 2HD ARG 46 -6.700 -10.921 -0.137 346 HE ARG 46 HE ARG 46 -6.377 -10.702 -2.573 347 1HH1 ARG 46 1HH1 ARG 46 -4.745 -13.303 -0.904 348 2HH1 ARG 46 2HH1 ARG 46 -4.737 -14.357 -2.290 349 1HH2 ARG 46 1HH2 ARG 46 -6.336 -12.061 -4.414 350 2HH2 ARG 46 2HH2 ARG 46 -5.661 -13.662 -4.278 351 H HIS 47 H HIS 47 -2.574 -6.531 -0.014 352 HA HIS 47 HA HIS 47 -5.070 -4.990 -0.030 353 1HB HIS 47 1HB HIS 47 -2.397 -3.832 0.813 354 2HB HIS 47 2HB HIS 47 -3.911 -2.949 0.668 355 HD1 HIS 47 HD1 HIS 47 -5.778 -3.536 2.485 356 HD2 HIS 47 HD2 HIS 47 -1.971 -5.048 3.223 357 HE1 HIS 47 HE1 HIS 47 -5.760 -4.192 4.915 358 HE2 HIS 47 HE2 HIS 47 -3.482 -5.202 5.316 359 H ASP 48 H ASP 48 -5.056 -3.269 -1.627 360 HA ASP 48 HA ASP 48 -3.455 -3.904 -3.954 361 1HB ASP 48 1HB ASP 48 -4.746 -2.125 -5.075 362 2HB ASP 48 2HB ASP 48 -5.809 -3.278 -4.276 363 H LEU 49 H LEU 49 -2.460 -1.947 -5.148 364 HA LEU 49 HA LEU 49 -0.273 -1.137 -3.625 365 1HB LEU 49 1HB LEU 49 -0.289 -1.328 -6.083 366 2HB LEU 49 2HB LEU 49 -1.304 0.096 -6.178 367 HG LEU 49 HG LEU 49 0.515 1.441 -5.171 368 1HD1 LEU 49 1HD1 LEU 49 2.751 0.490 -4.981 369 2HD1 LEU 49 2HD1 LEU 49 2.127 -1.096 -5.435 370 3HD1 LEU 49 3HD1 LEU 49 1.619 -0.349 -3.921 371 1HD2 LEU 49 1HD2 LEU 49 0.270 1.296 -7.604 372 2HD2 LEU 49 2HD2 LEU 49 1.336 -0.109 -7.624 373 3HD2 LEU 49 3HD2 LEU 49 1.959 1.463 -7.127 374 H GLN 50 H GLN 50 -3.029 0.825 -4.748 375 HA GLN 50 HA GLN 50 -2.254 3.250 -3.639 376 1HB GLN 50 1HB GLN 50 -5.065 2.216 -4.039 377 2HB GLN 50 2HB GLN 50 -4.613 3.899 -3.813 378 1HG GLN 50 1HG GLN 50 -3.439 3.925 -5.902 379 2HG GLN 50 2HG GLN 50 -3.694 2.191 -6.109 380 1HE2 GLN 50 1HE2 GLN 50 -4.474 4.441 -7.815 381 2HE2 GLN 50 2HE2 GLN 50 -6.187 4.287 -8.016 382 H SER 51 H SER 51 -4.396 0.766 -2.251 383 HA SER 51 HA SER 51 -4.921 2.114 0.149 384 1HB SER 51 1HB SER 51 -4.866 -0.857 -0.399 385 2HB SER 51 2HB SER 51 -5.562 -0.108 1.038 386 HG SER 51 HG SER 51 -6.601 -0.364 -1.474 387 H SER 52 H SER 52 -2.369 -0.222 -0.651 388 HA SER 52 HA SER 52 -1.269 -0.447 1.913 389 1HB SER 52 1HB SER 52 0.169 -0.651 -0.744 390 2HB SER 52 2HB SER 52 0.722 -1.317 0.795 391 HG SER 52 HG SER 52 -1.363 -2.161 -0.879 392 H LEU 53 H LEU 53 -0.545 1.812 -0.722 393 HA LEU 53 HA LEU 53 1.599 3.130 0.534 394 1HB LEU 53 1HB LEU 53 -0.375 4.139 -1.511 395 2HB LEU 53 2HB LEU 53 1.074 4.998 -1.032 396 HG LEU 53 HG LEU 53 1.049 2.275 -2.339 397 1HD1 LEU 53 1HD1 LEU 53 1.881 3.453 -4.317 398 2HD1 LEU 53 2HD1 LEU 53 1.663 4.993 -3.487 399 3HD1 LEU 53 3HD1 LEU 53 0.263 3.992 -3.872 400 1HD2 LEU 53 1HD2 LEU 53 2.984 2.665 -0.887 401 2HD2 LEU 53 2HD2 LEU 53 3.318 4.174 -1.741 402 3HD2 LEU 53 3HD2 LEU 53 3.445 2.633 -2.589 403 H ARG 54 H ARG 54 -1.878 3.741 0.552 404 HA ARG 54 HA ARG 54 -1.725 6.188 1.958 405 1HB ARG 54 1HB ARG 54 -3.682 5.747 0.672 406 2HB ARG 54 2HB ARG 54 -3.987 4.245 1.536 407 1HG ARG 54 1HG ARG 54 -4.679 5.373 3.475 408 2HG ARG 54 2HG ARG 54 -4.008 6.908 2.923 409 1HD ARG 54 1HD ARG 54 -6.228 5.497 1.469 410 2HD ARG 54 2HD ARG 54 -6.529 6.639 2.780 411 HE ARG 54 HE ARG 54 -4.846 7.921 0.986 412 1HH1 ARG 54 1HH1 ARG 54 -8.033 6.471 0.839 413 2HH1 ARG 54 2HH1 ARG 54 -8.663 7.678 -0.246 414 1HH2 ARG 54 1HH2 ARG 54 -5.692 9.503 -0.448 415 2HH2 ARG 54 2HH2 ARG 54 -7.341 9.380 -0.978 416 H ILE 55 H ILE 55 -2.440 2.866 3.062 417 HA ILE 55 HA ILE 55 -2.833 3.638 5.761 418 HB ILE 55 HB ILE 55 -2.054 0.912 4.708 419 1HG1 ILE 55 1HG1 ILE 55 -4.086 1.729 3.636 420 2HG1 ILE 55 2HG1 ILE 55 -4.479 0.441 4.770 421 1HG2 ILE 55 1HG2 ILE 55 -3.364 1.706 7.305 422 2HG2 ILE 55 2HG2 ILE 55 -1.712 1.120 7.113 423 3HG2 ILE 55 3HG2 ILE 55 -3.071 0.055 6.760 424 1HD1 ILE 55 1HD1 ILE 55 -4.812 3.391 5.270 425 2HD1 ILE 55 2HD1 ILE 55 -5.225 2.095 6.395 426 3HD1 ILE 55 3HD1 ILE 55 -6.097 2.253 4.869 427 H LEU 56 H LEU 56 0.005 2.946 3.885 428 HA LEU 56 HA LEU 56 1.754 2.539 6.112 429 1HB LEU 56 1HB LEU 56 2.003 1.919 3.559 430 2HB LEU 56 2HB LEU 56 2.726 3.511 3.455 431 HG LEU 56 HG LEU 56 3.711 1.316 5.286 432 1HD1 LEU 56 1HD1 LEU 56 3.995 0.655 2.976 433 2HD1 LEU 56 2HD1 LEU 56 5.555 1.090 3.675 434 3HD1 LEU 56 3HD1 LEU 56 4.728 2.213 2.596 435 1HD2 LEU 56 1HD2 LEU 56 5.707 2.708 5.490 436 2HD2 LEU 56 2HD2 LEU 56 4.276 3.569 6.053 437 3HD2 LEU 56 3HD2 LEU 56 4.961 3.938 4.471 438 H LEU 57 H LEU 57 1.271 5.282 3.858 439 HA LEU 57 HA LEU 57 2.789 6.993 5.689 440 1HB LEU 57 1HB LEU 57 1.828 7.432 2.864 441 2HB LEU 57 2HB LEU 57 2.579 8.687 3.826 442 HG LEU 57 HG LEU 57 4.580 7.077 4.027 443 1HD1 LEU 57 1HD1 LEU 57 4.845 5.519 2.172 444 2HD1 LEU 57 2HD1 LEU 57 3.198 5.861 1.643 445 3HD1 LEU 57 3HD1 LEU 57 3.480 5.072 3.197 446 1HD2 LEU 57 1HD2 LEU 57 3.877 8.313 1.370 447 2HD2 LEU 57 2HD2 LEU 57 5.497 7.875 1.911 448 3HD2 LEU 57 3HD2 LEU 57 4.604 9.146 2.744 449 H GLN 58 H GLN 58 0.031 6.052 6.206 450 HA GLN 58 HA GLN 58 -1.960 7.874 5.776 451 1HB GLN 58 1HB GLN 58 -2.196 5.653 6.874 452 2HB GLN 58 2HB GLN 58 -1.543 6.357 8.349 453 1HG GLN 58 1HG GLN 58 -3.419 7.890 8.469 454 2HG GLN 58 2HG GLN 58 -4.062 7.247 6.959 455 1HE2 GLN 58 1HE2 GLN 58 -5.967 6.573 7.845 456 2HE2 GLN 58 2HE2 GLN 58 -6.078 5.241 8.949 457 H GLY 59 H GLY 59 0.157 7.848 8.664 458 1HA GLY 59 1HA GLY 59 -0.474 10.716 8.961 459 2HA GLY 59 2HA GLY 59 -0.521 9.626 10.337 460 H THR 60 H THR 60 1.897 9.398 7.817 461 HA THR 60 HA THR 60 3.952 9.868 9.811 462 HB THR 60 HB THR 60 5.488 9.194 7.890 463 HG1 THR 60 HG1 THR 60 4.580 8.589 6.030 464 1HG2 THR 60 1HG2 THR 60 4.899 6.812 8.104 465 2HG2 THR 60 2HG2 THR 60 3.344 7.268 8.802 466 3HG2 THR 60 3HG2 THR 60 4.839 7.640 9.660 467 H GLY 61 H GLY 61 2.249 11.910 7.911 468 1HA GLY 61 1HA GLY 61 2.592 14.088 7.288 469 2HA GLY 61 2HA GLY 61 4.085 14.037 8.215 470 H LEU 62 H LEU 62 3.620 11.757 5.650 471 HA LEU 62 HA LEU 62 5.542 13.263 4.007 472 1HB LEU 62 1HB LEU 62 5.097 10.277 4.147 473 2HB LEU 62 2HB LEU 62 6.256 11.087 3.113 474 HG LEU 62 HG LEU 62 6.338 11.068 6.132 475 1HD1 LEU 62 1HD1 LEU 62 8.294 9.627 5.850 476 2HD1 LEU 62 2HD1 LEU 62 8.018 9.600 4.109 477 3HD1 LEU 62 3HD1 LEU 62 6.835 8.881 5.200 478 1HD2 LEU 62 1HD2 LEU 62 7.304 13.103 5.223 479 2HD2 LEU 62 2HD2 LEU 62 8.288 12.159 4.104 480 3HD2 LEU 62 3HD2 LEU 62 8.573 12.047 5.841 481 H ARG 63 H ARG 63 5.329 12.858 1.647 482 HA ARG 63 HA ARG 63 2.483 12.600 0.934 483 1HB ARG 63 1HB ARG 63 3.475 14.836 0.544 484 2HB ARG 63 2HB ARG 63 4.670 14.102 -0.514 485 1HG ARG 63 1HG ARG 63 2.973 15.073 -1.872 486 2HG ARG 63 2HG ARG 63 2.819 13.319 -1.965 487 1HD ARG 63 1HD ARG 63 0.637 14.394 -1.759 488 2HD ARG 63 2HD ARG 63 0.990 13.372 -0.367 489 HE ARG 63 HE ARG 63 1.797 15.752 0.519 490 1HH1 ARG 63 1HH1 ARG 63 -1.099 14.894 -1.230 491 2HH1 ARG 63 2HH1 ARG 63 -2.097 16.061 -0.417 492 1HH2 ARG 63 1HH2 ARG 63 0.489 17.329 1.588 493 2HH2 ARG 63 2HH2 ARG 63 -1.199 17.448 1.180 494 H TYR 64 H TYR 64 1.965 10.853 -0.163 495 HA TYR 64 HA TYR 64 4.019 9.597 -1.841 496 1HB TYR 64 1HB TYR 64 2.500 7.627 -1.939 497 2HB TYR 64 2HB TYR 64 3.023 8.016 -0.310 498 HD1 TYR 64 HD1 TYR 64 1.407 9.027 1.294 499 HD2 TYR 64 HD2 TYR 64 0.194 7.669 -2.551 500 HE1 TYR 64 HE1 TYR 64 -0.935 9.013 2.043 501 HE2 TYR 64 HE2 TYR 64 -2.151 7.665 -1.815 502 HH TYR 64 HH TYR 64 -3.206 9.169 1.014 503 H GLN 65 H GLN 65 4.033 10.162 -3.873 504 HA GLN 65 HA GLN 65 1.503 10.945 -5.149 505 1HB GLN 65 1HB GLN 65 3.329 12.619 -5.194 506 2HB GLN 65 2HB GLN 65 4.347 11.462 -6.038 507 1HG GLN 65 1HG GLN 65 2.840 11.475 -7.935 508 2HG GLN 65 2HG GLN 65 1.758 12.581 -7.089 509 1HE2 GLN 65 1HE2 GLN 65 2.357 14.733 -6.840 510 2HE2 GLN 65 2HE2 GLN 65 3.624 15.443 -7.770 511 H ILE 66 H ILE 66 0.575 9.351 -6.217 512 HA ILE 66 HA ILE 66 2.288 7.386 -7.574 513 HB ILE 66 HB ILE 66 1.010 6.249 -5.920 514 1HG1 ILE 66 1HG1 ILE 66 -0.338 5.856 -8.600 515 2HG1 ILE 66 2HG1 ILE 66 1.187 5.129 -8.106 516 1HG2 ILE 66 1HG2 ILE 66 -1.432 7.605 -7.042 517 2HG2 ILE 66 2HG2 ILE 66 -0.685 7.904 -5.471 518 3HG2 ILE 66 3HG2 ILE 66 -1.444 6.347 -5.806 519 1HD1 ILE 66 1HD1 ILE 66 -0.614 3.535 -7.931 520 2HD1 ILE 66 2HD1 ILE 66 -1.509 4.624 -6.871 521 3HD1 ILE 66 3HD1 ILE 66 0.015 3.918 -6.326 522 H ASP 67 H ASP 67 2.466 7.824 -9.632 523 HA ASP 67 HA ASP 67 0.070 8.647 -11.143 524 1HB ASP 67 1HB ASP 67 1.710 10.547 -10.683 525 2HB ASP 67 2HB ASP 67 2.855 9.682 -11.703 526 H GLY 68 H GLY 68 -0.349 6.791 -12.245 527 1HA GLY 68 1HA GLY 68 -0.064 5.089 -13.759 528 2HA GLY 68 2HA GLY 68 1.404 5.900 -14.288 529 H ASN 69 H ASN 69 3.263 4.910 -13.908 530 HA ASN 69 HA ASN 69 3.302 2.741 -11.917 531 1HB ASN 69 1HB ASN 69 4.770 3.141 -14.506 532 2HB ASN 69 2HB ASN 69 5.440 2.093 -13.262 533 1HD2 ASN 69 1HD2 ASN 69 5.239 0.299 -14.578 534 2HD2 ASN 69 2HD2 ASN 69 3.706 -0.454 -14.886 535 H THR 70 H THR 70 3.947 5.822 -11.956 536 HA THR 70 HA THR 70 6.597 5.633 -10.694 537 HB THR 70 HB THR 70 5.115 8.093 -11.650 538 HG1 THR 70 HG1 THR 70 5.806 6.821 -13.399 539 1HG2 THR 70 1HG2 THR 70 7.259 9.240 -11.335 540 2HG2 THR 70 2HG2 THR 70 7.962 7.754 -10.693 541 3HG2 THR 70 3HG2 THR 70 6.667 8.570 -9.815 542 H VAL 71 H VAL 71 6.658 5.618 -8.555 543 HA VAL 71 HA VAL 71 4.550 7.067 -7.082 544 HB VAL 71 HB VAL 71 6.056 4.636 -6.090 545 1HG1 VAL 71 1HG1 VAL 71 5.396 6.167 -4.309 546 2HG1 VAL 71 2HG1 VAL 71 4.451 4.677 -4.240 547 3HG1 VAL 71 3HG1 VAL 71 3.733 6.148 -4.897 548 1HG2 VAL 71 1HG2 VAL 71 4.538 3.961 -7.840 549 2HG2 VAL 71 2HG2 VAL 71 3.228 4.880 -7.101 550 3HG2 VAL 71 3HG2 VAL 71 3.884 3.465 -6.279 551 H THR 72 H THR 72 5.304 8.770 -6.020 552 HA THR 72 HA THR 72 8.190 8.872 -5.411 553 HB THR 72 HB THR 72 6.358 11.232 -5.884 554 HG1 THR 72 HG1 THR 72 7.414 9.502 -7.650 555 1HG2 THR 72 1HG2 THR 72 8.380 11.705 -4.555 556 2HG2 THR 72 2HG2 THR 72 8.432 12.488 -6.134 557 3HG2 THR 72 3HG2 THR 72 9.374 11.025 -5.845 558 H VAL 73 H VAL 73 8.749 9.026 -3.341 559 HA VAL 73 HA VAL 73 6.684 9.808 -1.383 560 HB VAL 73 HB VAL 73 8.987 7.884 -1.001 561 1HG1 VAL 73 1HG1 VAL 73 8.481 9.176 1.025 562 2HG1 VAL 73 2HG1 VAL 73 8.065 7.472 1.210 563 3HG1 VAL 73 3HG1 VAL 73 6.797 8.665 0.922 564 1HG2 VAL 73 1HG2 VAL 73 7.248 6.179 -0.769 565 2HG2 VAL 73 2HG2 VAL 73 7.181 6.948 -2.355 566 3HG2 VAL 73 3HG2 VAL 73 6.011 7.389 -1.111 567 H THR 74 H THR 74 7.084 11.808 -0.764 568 HA THR 74 HA THR 74 9.769 12.493 0.185 569 HB THR 74 HB THR 74 9.514 13.304 -2.184 570 HG1 THR 74 HG1 THR 74 10.557 14.510 -0.144 571 1HG2 THR 74 1HG2 THR 74 7.121 13.832 -2.115 572 2HG2 THR 74 2HG2 THR 74 8.077 15.226 -2.622 573 3HG2 THR 74 3HG2 THR 74 7.444 15.140 -0.975 574 H ALA 75 H ALA 75 9.747 14.432 1.597 575 HA ALA 75 HA ALA 75 7.629 14.380 3.456 576 1HB ALA 75 1HB ALA 75 9.926 15.052 4.024 577 2HB ALA 75 2HB ALA 75 8.736 16.258 4.519 578 3HB ALA 75 3HB ALA 75 9.715 16.525 3.075 579 H SER 76 H SER 76 5.716 15.383 3.483 580 HA SER 76 HA SER 76 5.046 17.106 1.260 581 1HB SER 76 1HB SER 76 2.722 16.961 2.311 582 2HB SER 76 2HB SER 76 3.419 15.455 1.713 583 HG SER 76 HG SER 76 3.595 16.312 4.412 584 H ALA 77 H ALA 77 6.368 18.898 1.886 585 HA ALA 77 HA ALA 77 5.078 20.570 3.947 586 1HB ALA 77 1HB ALA 77 7.922 20.727 2.930 587 2HB ALA 77 2HB ALA 77 7.419 20.045 4.479 588 3HB ALA 77 3HB ALA 77 7.200 21.766 4.160 589 H ALA 78 H ALA 78 3.967 20.332 1.440 590 HA ALA 78 HA ALA 78 4.994 22.236 -0.422 591 1HB ALA 78 1HB ALA 78 3.025 21.719 -1.742 592 2HB ALA 78 2HB ALA 78 2.303 20.881 -0.369 593 3HB ALA 78 3HB ALA 78 3.759 20.237 -1.128 594 H ALA 79 H ALA 79 4.877 24.330 -0.141 595 HA ALA 79 HA ALA 79 2.442 25.487 1.062 596 1HB ALA 79 1HB ALA 79 4.458 25.919 2.395 597 2HB ALA 79 2HB ALA 79 3.816 27.411 1.706 598 3HB ALA 79 3HB ALA 79 5.235 26.648 0.988 599 H LYS 80 H LYS 80 1.163 26.105 -0.573 600 HA LYS 80 HA LYS 80 2.316 27.742 -2.700 601 1HB LYS 80 1HB LYS 80 1.196 26.486 -4.475 602 2HB LYS 80 2HB LYS 80 2.345 25.474 -3.617 603 1HG LYS 80 1HG LYS 80 -0.572 25.443 -2.918 604 2HG LYS 80 2HG LYS 80 0.065 24.482 -4.253 605 1HD LYS 80 1HD LYS 80 1.693 23.476 -2.625 606 2HD LYS 80 2HD LYS 80 0.818 24.305 -1.336 607 1HE LYS 80 1HE LYS 80 -0.400 22.335 -3.269 608 2HE LYS 80 2HE LYS 80 0.122 21.943 -1.631 609 1HZ LYS 80 1HZ LYS 80 -1.932 24.001 -2.256 610 2HZ LYS 80 2HZ LYS 80 -1.538 23.365 -0.728 611 3HZ LYS 80 3HZ LYS 80 -2.299 22.389 -1.883 612 H ASP 81 H ASP 81 0.414 27.922 -0.343 613 HA ASP 81 HA ASP 81 -1.550 29.584 -1.720 614 1HB ASP 81 1HB ASP 81 -2.565 27.292 -1.424 615 2HB ASP 81 2HB ASP 81 -2.398 27.498 0.313 616 H GLY 82 H GLY 82 0.843 29.642 0.201 617 1HA GLY 82 1HA GLY 82 1.226 31.464 1.736 618 2HA GLY 82 2HA GLY 82 -0.437 31.283 2.287 Start of MODEL 17 1 1H SER 1 1H SER 1 -10.307 -3.940 -6.982 2 2H SER 1 2H SER 1 -11.195 -3.470 -5.616 3 3H SER 1 3H SER 1 -11.212 -5.086 -6.123 4 HA SER 1 HA SER 1 -8.838 -3.629 -5.166 5 1HB SER 1 1HB SER 1 -10.742 -5.494 -3.772 6 2HB SER 1 2HB SER 1 -9.084 -5.281 -3.213 7 HG SER 1 HG SER 1 -9.503 -3.055 -3.002 8 H GLN 2 H GLN 2 -7.780 -4.454 -7.076 9 HA GLN 2 HA GLN 2 -7.154 -7.280 -7.100 10 1HB GLN 2 1HB GLN 2 -5.930 -4.913 -8.542 11 2HB GLN 2 2HB GLN 2 -5.371 -6.570 -8.738 12 1HG GLN 2 1HG GLN 2 -8.149 -5.595 -9.345 13 2HG GLN 2 2HG GLN 2 -6.876 -5.844 -10.539 14 1HE2 GLN 2 1HE2 GLN 2 -9.478 -7.103 -10.383 15 2HE2 GLN 2 2HE2 GLN 2 -9.183 -8.805 -10.257 16 H GLU 3 H GLU 3 -6.142 -7.985 -5.347 17 HA GLU 3 HA GLU 3 -4.317 -6.118 -3.985 18 1HB GLU 3 1HB GLU 3 -5.930 -8.372 -2.788 19 2HB GLU 3 2HB GLU 3 -4.913 -7.241 -1.906 20 1HG GLU 3 1HG GLU 3 -6.373 -5.400 -2.608 21 2HG GLU 3 2HG GLU 3 -7.407 -6.559 -3.444 22 H TRP 4 H TRP 4 -2.748 -7.231 -2.548 23 HA TRP 4 HA TRP 4 -1.740 -9.758 -3.604 24 1HB TRP 4 1HB TRP 4 -0.058 -7.249 -3.341 25 2HB TRP 4 2HB TRP 4 0.573 -8.854 -3.690 26 HD1 TRP 4 HD1 TRP 4 -0.122 -9.912 -6.130 27 HE1 TRP 4 HE1 TRP 4 -0.601 -8.728 -8.372 28 HE3 TRP 4 HE3 TRP 4 -0.988 -5.188 -4.374 29 HZ2 TRP 4 HZ2 TRP 4 -1.254 -6.129 -9.260 30 HZ3 TRP 4 HZ3 TRP 4 -1.528 -3.413 -5.982 31 HH2 TRP 4 HH2 TRP 4 -1.658 -3.875 -8.379 32 H THR 5 H THR 5 -0.066 -10.674 -2.119 33 HA THR 5 HA THR 5 -0.630 -9.850 0.638 34 HB THR 5 HB THR 5 0.791 -12.328 -0.376 35 HG1 THR 5 HG1 THR 5 -1.255 -12.873 -0.705 36 1HG2 THR 5 1HG2 THR 5 0.616 -13.122 1.936 37 2HG2 THR 5 2HG2 THR 5 -0.098 -11.582 2.414 38 3HG2 THR 5 3HG2 THR 5 1.573 -11.644 1.850 39 H LEU 6 H LEU 6 0.628 -8.168 1.089 40 HA LEU 6 HA LEU 6 3.268 -7.958 -0.093 41 1HB LEU 6 1HB LEU 6 1.741 -6.029 1.655 42 2HB LEU 6 2HB LEU 6 3.251 -5.680 0.836 43 HG LEU 6 HG LEU 6 0.628 -6.311 -0.524 44 1HD1 LEU 6 1HD1 LEU 6 2.124 -3.714 -0.201 45 2HD1 LEU 6 2HD1 LEU 6 0.589 -4.141 0.558 46 3HD1 LEU 6 3HD1 LEU 6 0.686 -3.956 -1.194 47 1HD2 LEU 6 1HD2 LEU 6 3.278 -5.446 -1.677 48 2HD2 LEU 6 2HD2 LEU 6 1.777 -5.670 -2.575 49 3HD2 LEU 6 3HD2 LEU 6 2.565 -7.053 -1.818 50 H ASP 7 H ASP 7 5.130 -7.441 1.118 51 HA ASP 7 HA ASP 7 5.074 -8.091 3.982 52 1HB ASP 7 1HB ASP 7 5.786 -10.109 2.654 53 2HB ASP 7 2HB ASP 7 7.138 -9.165 2.042 54 H ILE 8 H ILE 8 5.496 -6.054 4.656 55 HA ILE 8 HA ILE 8 7.818 -4.696 3.471 56 HB ILE 8 HB ILE 8 5.271 -3.497 4.558 57 1HG1 ILE 8 1HG1 ILE 8 6.555 -3.450 1.817 58 2HG1 ILE 8 2HG1 ILE 8 5.152 -4.407 2.275 59 1HG2 ILE 8 1HG2 ILE 8 7.156 -2.130 5.262 60 2HG2 ILE 8 2HG2 ILE 8 6.239 -1.312 3.993 61 3HG2 ILE 8 3HG2 ILE 8 7.768 -2.101 3.608 62 1HD1 ILE 8 1HD1 ILE 8 3.847 -2.408 2.585 63 2HD1 ILE 8 2HD1 ILE 8 4.595 -2.396 0.987 64 3HD1 ILE 8 3HD1 ILE 8 5.264 -1.403 2.281 65 HA PRO 9 HA PRO 9 9.647 -5.351 7.465 66 1HB PRO 9 1HB PRO 9 11.550 -3.354 6.366 67 2HB PRO 9 2HB PRO 9 11.859 -4.959 7.036 68 1HG PRO 9 1HG PRO 9 11.994 -4.544 4.418 69 2HG PRO 9 2HG PRO 9 11.283 -6.035 5.061 70 1HD PRO 9 1HD PRO 9 9.925 -3.607 3.964 71 2HD PRO 9 2HD PRO 9 9.525 -5.322 3.738 72 H ALA 10 H ALA 10 10.393 -4.095 9.266 73 HA ALA 10 HA ALA 10 9.235 -1.382 9.427 74 1HB ALA 10 1HB ALA 10 8.812 -1.811 11.812 75 2HB ALA 10 2HB ALA 10 9.399 -3.462 11.617 76 3HB ALA 10 3HB ALA 10 7.933 -2.943 10.785 77 H GLN 11 H GLN 11 11.729 -1.913 8.495 78 HA GLN 11 HA GLN 11 13.461 -0.909 10.645 79 1HB GLN 11 1HB GLN 11 15.349 -1.769 9.271 80 2HB GLN 11 2HB GLN 11 14.249 -3.043 9.784 81 1HG GLN 11 1HG GLN 11 13.188 -3.001 7.577 82 2HG GLN 11 2HG GLN 11 14.326 -1.754 7.066 83 1HE2 GLN 11 1HE2 GLN 11 13.888 -5.113 7.810 84 2HE2 GLN 11 2HE2 GLN 11 15.409 -5.657 7.176 85 H SER 12 H SER 12 15.464 -0.118 8.623 86 HA SER 12 HA SER 12 14.770 2.505 8.139 87 1HB SER 12 1HB SER 12 16.583 2.345 6.312 88 2HB SER 12 2HB SER 12 17.053 1.974 7.969 89 HG SER 12 HG SER 12 17.265 -0.098 7.471 90 H MET 13 H MET 13 13.639 3.549 6.747 91 HA MET 13 HA MET 13 11.638 2.626 5.165 92 1HB MET 13 1HB MET 13 12.332 5.024 5.885 93 2HB MET 13 2HB MET 13 13.207 5.058 4.365 94 1HG MET 13 1HG MET 13 11.134 6.109 3.991 95 2HG MET 13 2HG MET 13 11.045 4.524 3.219 96 1HE MET 13 1HE MET 13 8.345 5.415 3.244 97 2HE MET 13 2HE MET 13 8.725 6.733 4.355 98 3HE MET 13 3HE MET 13 7.448 5.581 4.752 99 H ASN 14 H ASN 14 14.995 2.916 4.330 100 HA ASN 14 HA ASN 14 14.985 2.765 1.577 101 1HB ASN 14 1HB ASN 14 16.910 1.469 3.519 102 2HB ASN 14 2HB ASN 14 17.208 1.652 1.796 103 1HD2 ASN 14 1HD2 ASN 14 19.020 2.893 2.109 104 2HD2 ASN 14 2HD2 ASN 14 18.953 4.520 2.686 105 H SER 15 H SER 15 14.786 0.081 3.931 106 HA SER 15 HA SER 15 14.953 -1.913 1.870 107 1HB SER 15 1HB SER 15 14.084 -2.324 4.742 108 2HB SER 15 2HB SER 15 14.803 -3.502 3.641 109 HG SER 15 HG SER 15 16.268 -2.553 5.228 110 H ALA 16 H ALA 16 12.443 -0.540 3.931 111 HA ALA 16 HA ALA 16 10.359 -2.275 3.327 112 1HB ALA 16 1HB ALA 16 8.882 -0.516 4.105 113 2HB ALA 16 2HB ALA 16 10.178 0.666 3.942 114 3HB ALA 16 3HB ALA 16 10.308 -0.627 5.136 115 H LEU 17 H LEU 17 11.156 0.832 1.770 116 HA LEU 17 HA LEU 17 9.034 0.679 -0.105 117 1HB LEU 17 1HB LEU 17 11.606 2.261 -0.204 118 2HB LEU 17 2HB LEU 17 10.244 2.493 -1.285 119 HG LEU 17 HG LEU 17 10.230 2.940 1.701 120 1HD1 LEU 17 1HD1 LEU 17 10.063 4.893 -0.585 121 2HD1 LEU 17 2HD1 LEU 17 11.464 4.638 0.455 122 3HD1 LEU 17 3HD1 LEU 17 9.971 5.284 1.132 123 1HD2 LEU 17 1HD2 LEU 17 8.049 3.363 -0.336 124 2HD2 LEU 17 2HD2 LEU 17 7.977 3.817 1.367 125 3HD2 LEU 17 3HD2 LEU 17 8.076 2.117 0.910 126 H GLN 18 H GLN 18 12.429 -0.258 -0.211 127 HA GLN 18 HA GLN 18 12.564 -0.894 -2.941 128 1HB GLN 18 1HB GLN 18 14.496 -0.659 -1.343 129 2HB GLN 18 2HB GLN 18 14.084 -2.240 -0.699 130 1HG GLN 18 1HG GLN 18 14.474 -3.233 -2.899 131 2HG GLN 18 2HG GLN 18 14.907 -1.643 -3.528 132 1HE2 GLN 18 1HE2 GLN 18 16.979 -2.271 -4.070 133 2HE2 GLN 18 2HE2 GLN 18 18.199 -2.583 -2.888 134 H ALA 19 H ALA 19 11.556 -2.773 -0.134 135 HA ALA 19 HA ALA 19 11.210 -5.248 -1.468 136 1HB ALA 19 1HB ALA 19 9.845 -4.220 1.021 137 2HB ALA 19 2HB ALA 19 11.380 -5.088 0.968 138 3HB ALA 19 3HB ALA 19 9.890 -5.900 0.483 139 H LEU 20 H LEU 20 9.082 -2.485 -0.899 140 HA LEU 20 HA LEU 20 6.679 -3.709 -1.780 141 1HB LEU 20 1HB LEU 20 6.702 -1.699 -0.390 142 2HB LEU 20 2HB LEU 20 7.493 -0.803 -1.670 143 HG LEU 20 HG LEU 20 5.485 -1.080 -3.084 144 1HD1 LEU 20 1HD1 LEU 20 4.273 -2.314 -0.615 145 2HD1 LEU 20 2HD1 LEU 20 4.648 -3.161 -2.115 146 3HD1 LEU 20 3HD1 LEU 20 3.413 -1.902 -2.098 147 1HD2 LEU 20 1HD2 LEU 20 4.958 0.123 -0.371 148 2HD2 LEU 20 2HD2 LEU 20 4.062 0.474 -1.848 149 3HD2 LEU 20 3HD2 LEU 20 5.762 0.922 -1.721 150 H ALA 21 H ALA 21 9.366 -2.194 -3.335 151 HA ALA 21 HA ALA 21 8.172 -1.447 -5.777 152 1HB ALA 21 1HB ALA 21 10.443 -1.308 -6.648 153 2HB ALA 21 2HB ALA 21 11.047 -2.180 -5.239 154 3HB ALA 21 3HB ALA 21 10.340 -0.576 -5.047 155 H LYS 22 H LYS 22 10.132 -4.307 -4.940 156 HA LYS 22 HA LYS 22 9.748 -5.611 -7.418 157 1HB LYS 22 1HB LYS 22 10.627 -6.557 -4.723 158 2HB LYS 22 2HB LYS 22 10.276 -7.717 -5.994 159 1HG LYS 22 1HG LYS 22 12.573 -7.368 -6.114 160 2HG LYS 22 2HG LYS 22 11.894 -6.423 -7.439 161 1HD LYS 22 1HD LYS 22 12.061 -4.397 -6.077 162 2HD LYS 22 2HD LYS 22 12.725 -5.347 -4.745 163 1HE LYS 22 1HE LYS 22 14.549 -6.063 -6.347 164 2HE LYS 22 2HE LYS 22 13.955 -4.810 -7.435 165 1HZ LYS 22 1HZ LYS 22 14.417 -3.151 -5.778 166 2HZ LYS 22 2HZ LYS 22 15.815 -4.081 -6.040 167 3HZ LYS 22 3HZ LYS 22 14.878 -4.340 -4.654 168 H GLN 23 H GLN 23 7.916 -5.721 -4.414 169 HA GLN 23 HA GLN 23 6.429 -8.029 -5.071 170 1HB GLN 23 1HB GLN 23 5.984 -5.829 -3.069 171 2HB GLN 23 2HB GLN 23 4.912 -7.219 -3.206 172 1HG GLN 23 1HG GLN 23 6.671 -8.723 -2.636 173 2HG GLN 23 2HG GLN 23 7.873 -7.440 -2.746 174 1HE2 GLN 23 1HE2 GLN 23 8.583 -7.825 -0.667 175 2HE2 GLN 23 2HE2 GLN 23 7.667 -7.331 0.723 176 H THR 24 H THR 24 5.972 -4.677 -5.927 177 HA THR 24 HA THR 24 3.370 -5.404 -7.100 178 HB THR 24 HB THR 24 3.035 -2.902 -7.286 179 HG1 THR 24 HG1 THR 24 5.152 -2.743 -5.385 180 1HG2 THR 24 1HG2 THR 24 3.402 -4.066 -4.519 181 2HG2 THR 24 2HG2 THR 24 1.956 -4.195 -5.522 182 3HG2 THR 24 3HG2 THR 24 2.464 -2.624 -4.904 183 H ASP 25 H ASP 25 6.577 -4.861 -7.831 184 HA ASP 25 HA ASP 25 7.799 -4.602 -9.709 185 1HB ASP 25 1HB ASP 25 6.230 -6.427 -10.512 186 2HB ASP 25 2HB ASP 25 5.286 -5.158 -11.290 187 H THR 26 H THR 26 6.683 -2.353 -8.497 188 HA THR 26 HA THR 26 6.039 -0.574 -10.746 189 HB THR 26 HB THR 26 5.409 1.058 -8.948 190 HG1 THR 26 HG1 THR 26 5.254 -1.010 -7.070 191 1HG2 THR 26 1HG2 THR 26 3.722 -0.336 -10.060 192 2HG2 THR 26 2HG2 THR 26 3.301 -0.039 -8.373 193 3HG2 THR 26 3HG2 THR 26 3.973 -1.596 -8.853 194 H GLN 27 H GLN 27 6.932 1.726 -10.345 195 HA GLN 27 HA GLN 27 9.790 1.481 -9.687 196 1HB GLN 27 1HB GLN 27 9.350 2.066 -12.017 197 2HB GLN 27 2HB GLN 27 8.361 3.423 -11.512 198 1HG GLN 27 1HG GLN 27 10.233 4.600 -10.680 199 2HG GLN 27 2HG GLN 27 11.271 3.182 -10.820 200 1HE2 GLN 27 1HE2 GLN 27 9.571 5.667 -12.593 201 2HE2 GLN 27 2HE2 GLN 27 10.485 5.516 -14.057 202 H LEU 28 H LEU 28 10.419 2.477 -7.857 203 HA LEU 28 HA LEU 28 8.554 4.450 -6.733 204 1HB LEU 28 1HB LEU 28 10.566 2.712 -5.306 205 2HB LEU 28 2HB LEU 28 9.509 3.881 -4.538 206 HG LEU 28 HG LEU 28 8.709 1.310 -5.895 207 1HD1 LEU 28 1HD1 LEU 28 8.447 2.315 -3.070 208 2HD1 LEU 28 2HD1 LEU 28 9.536 1.051 -3.644 209 3HD1 LEU 28 3HD1 LEU 28 7.792 0.794 -3.682 210 1HD2 LEU 28 1HD2 LEU 28 6.404 1.894 -5.355 211 2HD2 LEU 28 2HD2 LEU 28 7.109 3.054 -6.481 212 3HD2 LEU 28 3HD2 LEU 28 6.933 3.474 -4.777 213 H LEU 29 H LEU 29 9.202 6.437 -6.268 214 HA LEU 29 HA LEU 29 12.041 7.088 -6.732 215 1HB LEU 29 1HB LEU 29 10.106 8.010 -8.241 216 2HB LEU 29 2HB LEU 29 9.801 9.082 -6.890 217 HG LEU 29 HG LEU 29 11.164 10.112 -8.689 218 1HD1 LEU 29 1HD1 LEU 29 12.903 11.053 -7.242 219 2HD1 LEU 29 2HD1 LEU 29 12.582 9.794 -6.049 220 3HD1 LEU 29 3HD1 LEU 29 11.338 10.983 -6.431 221 1HD2 LEU 29 1HD2 LEU 29 12.368 8.124 -9.407 222 2HD2 LEU 29 2HD2 LEU 29 13.224 8.074 -7.867 223 3HD2 LEU 29 3HD2 LEU 29 13.489 9.418 -8.977 224 H TYR 30 H TYR 30 13.024 7.306 -4.829 225 HA TYR 30 HA TYR 30 11.995 9.215 -2.925 226 1HB TYR 30 1HB TYR 30 12.143 7.725 -0.993 227 2HB TYR 30 2HB TYR 30 10.948 7.138 -2.141 228 HD1 TYR 30 HD1 TYR 30 11.520 5.152 -3.585 229 HD2 TYR 30 HD2 TYR 30 14.004 6.401 -0.359 230 HE1 TYR 30 HE1 TYR 30 12.600 2.942 -3.564 231 HE2 TYR 30 HE2 TYR 30 15.088 4.195 -0.334 232 HH TYR 30 HH TYR 30 14.558 1.870 -1.024 233 H SER 31 H SER 31 13.600 10.108 -1.642 234 HA SER 31 HA SER 31 16.326 9.416 -2.495 235 1HB SER 31 1HB SER 31 15.512 11.664 -3.159 236 2HB SER 31 2HB SER 31 15.260 12.055 -1.461 237 HG SER 31 HG SER 31 17.229 12.788 -1.666 238 HA PRO 32 HA PRO 32 16.799 7.766 1.632 239 1HB PRO 32 1HB PRO 32 19.657 8.022 0.826 240 2HB PRO 32 2HB PRO 32 18.792 6.634 1.498 241 1HG PRO 32 1HG PRO 32 19.401 6.715 -1.087 242 2HG PRO 32 2HG PRO 32 17.838 6.074 -0.546 243 1HD PRO 32 1HD PRO 32 18.479 8.716 -1.784 244 2HD PRO 32 2HD PRO 32 17.059 7.677 -2.013 245 H GLU 33 H GLU 33 18.774 10.490 0.460 246 HA GLU 33 HA GLU 33 19.612 11.290 3.070 247 1HB GLU 33 1HB GLU 33 20.866 11.982 1.091 248 2HB GLU 33 2HB GLU 33 19.475 12.882 0.498 249 1HG GLU 33 1HG GLU 33 19.608 14.291 2.556 250 2HG GLU 33 2HG GLU 33 21.119 13.475 2.947 251 H ASP 34 H ASP 34 16.909 12.145 0.997 252 HA ASP 34 HA ASP 34 16.201 14.434 2.600 253 1HB ASP 34 1HB ASP 34 14.859 13.180 0.199 254 2HB ASP 34 2HB ASP 34 14.316 14.664 0.980 255 H ILE 35 H ILE 35 15.620 11.150 2.919 256 HA ILE 35 HA ILE 35 13.019 11.589 4.189 257 HB ILE 35 HB ILE 35 12.878 9.145 4.417 258 1HG1 ILE 35 1HG1 ILE 35 15.495 9.108 2.899 259 2HG1 ILE 35 2HG1 ILE 35 15.300 8.681 4.597 260 1HG2 ILE 35 1HG2 ILE 35 13.500 10.100 1.628 261 2HG2 ILE 35 2HG2 ILE 35 11.936 10.173 2.442 262 3HG2 ILE 35 3HG2 ILE 35 12.645 8.610 2.024 263 1HD1 ILE 35 1HD1 ILE 35 14.082 7.246 2.250 264 2HD1 ILE 35 2HD1 ILE 35 13.861 6.815 3.944 265 3HD1 ILE 35 3HD1 ILE 35 15.460 6.705 3.209 266 H GLY 36 H GLY 36 16.257 11.561 4.983 267 1HA GLY 36 1HA GLY 36 17.340 11.711 7.002 268 2HA GLY 36 2HA GLY 36 15.760 11.894 7.744 269 H GLY 37 H GLY 37 16.352 9.058 5.870 270 1HA GLY 37 1HA GLY 37 16.502 6.842 6.445 271 2HA GLY 37 2HA GLY 37 17.441 7.372 7.833 272 H LEU 38 H LEU 38 14.043 7.681 6.830 273 HA LEU 38 HA LEU 38 12.999 7.428 9.448 274 1HB LEU 38 1HB LEU 38 11.737 7.082 6.732 275 2HB LEU 38 2HB LEU 38 10.829 6.985 8.228 276 HG LEU 38 HG LEU 38 12.360 9.420 7.314 277 1HD1 LEU 38 1HD1 LEU 38 10.160 10.369 6.830 278 2HD1 LEU 38 2HD1 LEU 38 9.401 8.828 7.233 279 3HD1 LEU 38 3HD1 LEU 38 10.474 8.946 5.837 280 1HD2 LEU 38 1HD2 LEU 38 11.141 10.551 9.097 281 2HD2 LEU 38 2HD2 LEU 38 12.122 9.233 9.745 282 3HD2 LEU 38 3HD2 LEU 38 10.379 9.027 9.554 283 H ARG 39 H ARG 39 11.602 5.680 10.210 284 HA ARG 39 HA ARG 39 12.238 3.073 9.014 285 1HB ARG 39 1HB ARG 39 11.606 2.072 11.204 286 2HB ARG 39 2HB ARG 39 13.047 3.064 11.274 287 1HG ARG 39 1HG ARG 39 11.718 4.900 12.229 288 2HG ARG 39 2HG ARG 39 10.288 3.861 12.180 289 1HD ARG 39 1HD ARG 39 11.493 2.234 13.614 290 2HD ARG 39 2HD ARG 39 12.818 3.389 13.745 291 HE ARG 39 HE ARG 39 10.304 4.517 14.527 292 1HH1 ARG 39 1HH1 ARG 39 13.045 2.609 15.567 293 2HH1 ARG 39 2HH1 ARG 39 12.764 2.875 17.262 294 1HH2 ARG 39 1HH2 ARG 39 9.925 4.885 16.767 295 2HH2 ARG 39 2HH2 ARG 39 10.969 4.144 17.947 296 H SER 40 H SER 40 10.585 1.746 8.493 297 HA SER 40 HA SER 40 8.062 3.113 8.109 298 1HB SER 40 1HB SER 40 7.606 0.996 6.736 299 2HB SER 40 2HB SER 40 8.889 2.064 6.166 300 HG SER 40 HG SER 40 9.037 -0.506 7.168 301 H SER 41 H SER 41 6.059 2.226 8.643 302 HA SER 41 HA SER 41 6.004 0.372 10.874 303 1HB SER 41 1HB SER 41 3.728 1.738 9.403 304 2HB SER 41 2HB SER 41 3.593 0.851 10.919 305 HG SER 41 HG SER 41 5.489 2.632 11.278 306 H ALA 42 H ALA 42 5.748 -1.750 10.614 307 HA ALA 42 HA ALA 42 6.026 -2.935 8.113 308 1HB ALA 42 1HB ALA 42 6.697 -3.993 10.220 309 2HB ALA 42 2HB ALA 42 5.685 -5.052 9.239 310 3HB ALA 42 3HB ALA 42 4.999 -4.223 10.637 311 H LEU 43 H LEU 43 4.607 -2.853 6.535 312 HA LEU 43 HA LEU 43 1.771 -3.340 7.146 313 1HB LEU 43 1HB LEU 43 2.585 -1.156 5.976 314 2HB LEU 43 2HB LEU 43 2.789 -2.174 4.565 315 HG LEU 43 HG LEU 43 0.649 -0.891 4.605 316 1HD1 LEU 43 1HD1 LEU 43 0.852 -2.939 3.282 317 2HD1 LEU 43 2HD1 LEU 43 -0.781 -2.722 3.912 318 3HD1 LEU 43 3HD1 LEU 43 0.308 -3.885 4.670 319 1HD2 LEU 43 1HD2 LEU 43 0.215 -0.956 6.988 320 2HD2 LEU 43 2HD2 LEU 43 0.011 -2.707 6.924 321 3HD2 LEU 43 3HD2 LEU 43 -1.139 -1.655 6.098 322 H LYS 44 H LYS 44 1.871 -5.555 7.147 323 HA LYS 44 HA LYS 44 2.510 -6.785 4.556 324 1HB LYS 44 1HB LYS 44 3.198 -8.828 5.878 325 2HB LYS 44 2HB LYS 44 4.280 -7.447 5.988 326 1HG LYS 44 1HG LYS 44 3.326 -6.868 8.158 327 2HG LYS 44 2HG LYS 44 2.231 -8.245 8.042 328 1HD LYS 44 1HD LYS 44 4.181 -9.751 7.947 329 2HD LYS 44 2HD LYS 44 5.244 -8.355 8.145 330 1HE LYS 44 1HE LYS 44 4.877 -9.514 10.269 331 2HE LYS 44 2HE LYS 44 4.233 -7.871 10.304 332 1HZ LYS 44 1HZ LYS 44 2.709 -9.488 11.298 333 2HZ LYS 44 2HZ LYS 44 2.621 -10.324 9.826 334 3HZ LYS 44 3HZ LYS 44 2.024 -8.738 9.942 335 H GLY 45 H GLY 45 0.630 -7.235 3.697 336 1HA GLY 45 1HA GLY 45 -1.164 -9.118 4.742 337 2HA GLY 45 2HA GLY 45 -1.788 -7.509 5.082 338 H ARG 46 H ARG 46 -3.569 -8.256 3.649 339 HA ARG 46 HA ARG 46 -2.789 -8.159 0.810 340 1HB ARG 46 1HB ARG 46 -4.094 -10.174 1.793 341 2HB ARG 46 2HB ARG 46 -5.474 -9.082 1.788 342 1HG ARG 46 1HG ARG 46 -4.960 -8.684 -0.664 343 2HG ARG 46 2HG ARG 46 -3.878 -10.074 -0.550 344 1HD ARG 46 1HD ARG 46 -5.931 -11.283 0.449 345 2HD ARG 46 2HD ARG 46 -6.854 -9.964 -0.271 346 HE ARG 46 HE ARG 46 -5.115 -11.796 -1.801 347 1HH1 ARG 46 1HH1 ARG 46 -7.889 -9.649 -1.637 348 2HH1 ARG 46 2HH1 ARG 46 -8.548 -10.196 -3.153 349 1HH2 ARG 46 1HH2 ARG 46 -5.992 -12.525 -3.758 350 2HH2 ARG 46 2HH2 ARG 46 -7.475 -11.838 -4.359 351 H HIS 47 H HIS 47 -3.009 -6.169 0.010 352 HA HIS 47 HA HIS 47 -5.617 -4.932 0.105 353 1HB HIS 47 1HB HIS 47 -3.245 -3.673 1.438 354 2HB HIS 47 2HB HIS 47 -4.436 -2.648 0.647 355 HD1 HIS 47 HD1 HIS 47 -7.049 -3.367 1.501 356 HD2 HIS 47 HD2 HIS 47 -3.822 -4.025 4.046 357 HE1 HIS 47 HE1 HIS 47 -8.031 -3.539 3.812 358 HE2 HIS 47 HE2 HIS 47 -6.051 -3.802 5.357 359 H ASP 48 H ASP 48 -5.566 -2.846 -1.244 360 HA ASP 48 HA ASP 48 -4.396 -3.433 -3.776 361 1HB ASP 48 1HB ASP 48 -5.866 -1.011 -2.732 362 2HB ASP 48 2HB ASP 48 -5.267 -1.125 -4.384 363 H LEU 49 H LEU 49 -3.164 -1.681 -4.985 364 HA LEU 49 HA LEU 49 -0.686 -1.274 -3.722 365 1HB LEU 49 1HB LEU 49 -1.142 -1.430 -6.197 366 2HB LEU 49 2HB LEU 49 -1.761 0.208 -6.124 367 HG LEU 49 HG LEU 49 1.025 -0.340 -5.177 368 1HD1 LEU 49 1HD1 LEU 49 0.886 -1.450 -7.338 369 2HD1 LEU 49 2HD1 LEU 49 1.848 0.023 -7.452 370 3HD1 LEU 49 3HD1 LEU 49 0.191 0.003 -8.053 371 1HD2 LEU 49 1HD2 LEU 49 -0.258 2.005 -6.582 372 2HD2 LEU 49 2HD2 LEU 49 1.393 1.933 -5.969 373 3HD2 LEU 49 3HD2 LEU 49 0.035 1.885 -4.845 374 H GLN 50 H GLN 50 -3.116 1.164 -4.699 375 HA GLN 50 HA GLN 50 -1.870 3.267 -3.272 376 1HB GLN 50 1HB GLN 50 -4.647 2.973 -4.391 377 2HB GLN 50 2HB GLN 50 -4.125 4.420 -3.538 378 1HG GLN 50 1HG GLN 50 -2.239 4.583 -5.192 379 2HG GLN 50 2HG GLN 50 -3.035 3.300 -6.103 380 1HE2 GLN 50 1HE2 GLN 50 -4.959 3.735 -7.163 381 2HE2 GLN 50 2HE2 GLN 50 -5.533 5.348 -7.433 382 H SER 51 H SER 51 -4.237 0.871 -2.332 383 HA SER 51 HA SER 51 -5.109 2.084 0.054 384 1HB SER 51 1HB SER 51 -4.876 -0.857 -0.624 385 2HB SER 51 2HB SER 51 -5.800 -0.188 0.723 386 HG SER 51 HG SER 51 -7.287 0.550 -0.620 387 H SER 52 H SER 52 -2.475 -0.203 -0.599 388 HA SER 52 HA SER 52 -1.489 -0.411 2.011 389 1HB SER 52 1HB SER 52 -0.783 -1.880 0.147 390 2HB SER 52 2HB SER 52 0.065 -0.522 -0.591 391 HG SER 52 HG SER 52 1.591 -1.577 0.559 392 H LEU 53 H LEU 53 -0.649 1.831 -0.611 393 HA LEU 53 HA LEU 53 1.336 3.284 0.701 394 1HB LEU 53 1HB LEU 53 -0.660 4.221 -1.361 395 2HB LEU 53 2HB LEU 53 0.780 5.102 -0.892 396 HG LEU 53 HG LEU 53 0.771 2.378 -2.198 397 1HD1 LEU 53 1HD1 LEU 53 -0.021 4.097 -3.724 398 2HD1 LEU 53 2HD1 LEU 53 1.601 3.568 -4.173 399 3HD1 LEU 53 3HD1 LEU 53 1.374 5.104 -3.336 400 1HD2 LEU 53 1HD2 LEU 53 3.016 4.277 -1.528 401 2HD2 LEU 53 2HD2 LEU 53 3.178 2.812 -2.493 402 3HD2 LEU 53 3HD2 LEU 53 2.718 2.700 -0.794 403 H ARG 54 H ARG 54 -2.175 3.666 0.726 404 HA ARG 54 HA ARG 54 -2.249 6.145 2.067 405 1HB ARG 54 1HB ARG 54 -4.167 5.219 0.851 406 2HB ARG 54 2HB ARG 54 -4.307 3.928 2.038 407 1HG ARG 54 1HG ARG 54 -4.794 5.596 3.772 408 2HG ARG 54 2HG ARG 54 -4.692 6.872 2.554 409 1HD ARG 54 1HD ARG 54 -6.649 4.576 2.571 410 2HD ARG 54 2HD ARG 54 -7.013 6.250 2.984 411 HE ARG 54 HE ARG 54 -6.087 6.553 0.517 412 1HH1 ARG 54 1HH1 ARG 54 -8.350 4.199 1.790 413 2HH1 ARG 54 2HH1 ARG 54 -9.204 4.024 0.286 414 1HH2 ARG 54 1HH2 ARG 54 -7.202 6.319 -1.451 415 2HH2 ARG 54 2HH2 ARG 54 -8.554 5.223 -1.554 416 H ILE 55 H ILE 55 -2.445 2.812 3.297 417 HA ILE 55 HA ILE 55 -2.776 3.599 6.021 418 HB ILE 55 HB ILE 55 -1.798 0.938 4.963 419 1HG1 ILE 55 1HG1 ILE 55 -4.615 1.847 5.607 420 2HG1 ILE 55 2HG1 ILE 55 -3.974 1.594 3.987 421 1HG2 ILE 55 1HG2 ILE 55 -1.381 1.269 7.350 422 2HG2 ILE 55 2HG2 ILE 55 -2.625 0.048 7.085 423 3HG2 ILE 55 3HG2 ILE 55 -3.080 1.673 7.594 424 1HD1 ILE 55 1HD1 ILE 55 -3.685 -0.774 4.464 425 2HD1 ILE 55 2HD1 ILE 55 -5.358 -0.272 4.714 426 3HD1 ILE 55 3HD1 ILE 55 -4.297 -0.529 6.099 427 H LEU 56 H LEU 56 -0.023 2.920 3.976 428 HA LEU 56 HA LEU 56 1.886 2.857 6.115 429 1HB LEU 56 1HB LEU 56 2.038 1.821 3.744 430 2HB LEU 56 2HB LEU 56 2.512 3.425 3.227 431 HG LEU 56 HG LEU 56 4.013 1.975 5.397 432 1HD1 LEU 56 1HD1 LEU 56 3.970 0.519 3.439 433 2HD1 LEU 56 2HD1 LEU 56 5.576 1.207 3.690 434 3HD1 LEU 56 3HD1 LEU 56 4.526 1.856 2.428 435 1HD2 LEU 56 1HD2 LEU 56 4.449 4.362 5.179 436 2HD2 LEU 56 2HD2 LEU 56 4.788 4.154 3.460 437 3HD2 LEU 56 3HD2 LEU 56 5.850 3.421 4.664 438 H LEU 57 H LEU 57 0.544 5.271 3.962 439 HA LEU 57 HA LEU 57 2.421 7.321 4.401 440 1HB LEU 57 1HB LEU 57 0.583 7.172 2.620 441 2HB LEU 57 2HB LEU 57 -0.505 7.767 3.862 442 HG LEU 57 HG LEU 57 1.052 9.759 4.094 443 1HD1 LEU 57 1HD1 LEU 57 2.117 8.650 1.500 444 2HD1 LEU 57 2HD1 LEU 57 3.004 8.774 3.020 445 3HD1 LEU 57 3HD1 LEU 57 2.492 10.234 2.174 446 1HD2 LEU 57 1HD2 LEU 57 -1.104 9.881 2.947 447 2HD2 LEU 57 2HD2 LEU 57 -0.340 9.341 1.451 448 3HD2 LEU 57 3HD2 LEU 57 0.102 10.897 2.155 449 H GLN 58 H GLN 58 -0.674 6.592 5.950 450 HA GLN 58 HA GLN 58 -0.924 8.590 7.781 451 1HB GLN 58 1HB GLN 58 -2.571 6.836 7.588 452 2HB GLN 58 2HB GLN 58 -1.426 5.638 8.175 453 1HG GLN 58 1HG GLN 58 -1.402 6.672 10.357 454 2HG GLN 58 2HG GLN 58 -2.461 7.961 9.786 455 1HE2 GLN 58 1HE2 GLN 58 -2.807 6.010 11.939 456 2HE2 GLN 58 2HE2 GLN 58 -4.291 5.189 11.598 457 H GLY 59 H GLY 59 0.622 9.477 8.985 458 1HA GLY 59 1HA GLY 59 1.698 9.261 11.163 459 2HA GLY 59 2HA GLY 59 2.241 7.668 10.661 460 H THR 60 H THR 60 2.821 8.962 7.910 461 HA THR 60 HA THR 60 5.560 9.635 8.675 462 HB THR 60 HB THR 60 6.109 9.353 6.287 463 HG1 THR 60 HG1 THR 60 3.402 8.513 5.964 464 1HG2 THR 60 1HG2 THR 60 6.247 7.425 7.765 465 2HG2 THR 60 2HG2 THR 60 5.697 6.929 6.162 466 3HG2 THR 60 3HG2 THR 60 4.542 7.068 7.488 467 H GLY 61 H GLY 61 2.762 11.320 7.920 468 1HA GLY 61 1HA GLY 61 2.305 13.459 7.274 469 2HA GLY 61 2HA GLY 61 3.923 13.832 7.837 470 H LEU 62 H LEU 62 3.697 11.567 5.254 471 HA LEU 62 HA LEU 62 4.842 13.601 3.475 472 1HB LEU 62 1HB LEU 62 4.986 10.586 3.428 473 2HB LEU 62 2HB LEU 62 5.674 11.620 2.190 474 HG LEU 62 HG LEU 62 6.488 11.667 5.099 475 1HD1 LEU 62 1HD1 LEU 62 7.860 10.413 2.727 476 2HD1 LEU 62 2HD1 LEU 62 7.111 9.550 4.069 477 3HD1 LEU 62 3HD1 LEU 62 8.533 10.553 4.350 478 1HD2 LEU 62 1HD2 LEU 62 8.371 12.999 4.279 479 2HD2 LEU 62 2HD2 LEU 62 6.824 13.788 3.962 480 3HD2 LEU 62 3HD2 LEU 62 7.682 12.968 2.657 481 H ARG 63 H ARG 63 4.442 12.983 1.052 482 HA ARG 63 HA ARG 63 1.605 12.264 0.694 483 1HB ARG 63 1HB ARG 63 3.112 14.329 -0.922 484 2HB ARG 63 2HB ARG 63 1.407 13.923 -1.060 485 1HG ARG 63 1HG ARG 63 2.653 15.048 1.418 486 2HG ARG 63 2HG ARG 63 1.891 16.033 0.170 487 1HD ARG 63 1HD ARG 63 -0.226 15.251 0.679 488 2HD ARG 63 2HD ARG 63 0.388 13.762 1.401 489 HE ARG 63 HE ARG 63 1.351 15.603 3.079 490 1HH1 ARG 63 1HH1 ARG 63 -1.880 15.354 1.711 491 2HH1 ARG 63 2HH1 ARG 63 -2.658 15.895 3.173 492 1HH2 ARG 63 1HH2 ARG 63 0.329 16.324 4.956 493 2HH2 ARG 63 2HH2 ARG 63 -1.401 16.471 5.012 494 H TYR 64 H TYR 64 1.229 10.733 -0.861 495 HA TYR 64 HA TYR 64 3.597 9.866 -2.347 496 1HB TYR 64 1HB TYR 64 2.559 7.709 -2.688 497 2HB TYR 64 2HB TYR 64 2.579 8.110 -0.980 498 HD1 TYR 64 HD1 TYR 64 0.436 8.740 0.150 499 HD2 TYR 64 HD2 TYR 64 0.537 7.280 -3.844 500 HE1 TYR 64 HE1 TYR 64 -1.950 8.163 0.305 501 HE2 TYR 64 HE2 TYR 64 -1.848 6.704 -3.701 502 HH TYR 64 HH TYR 64 -3.491 6.150 -1.893 503 H GLN 65 H GLN 65 3.828 10.423 -4.318 504 HA GLN 65 HA GLN 65 1.501 11.241 -5.914 505 1HB GLN 65 1HB GLN 65 3.251 12.911 -5.714 506 2HB GLN 65 2HB GLN 65 4.470 11.746 -6.208 507 1HG GLN 65 1HG GLN 65 3.388 11.617 -8.425 508 2HG GLN 65 2HG GLN 65 2.272 12.883 -7.914 509 1HE2 GLN 65 1HE2 GLN 65 2.993 14.270 -9.533 510 2HE2 GLN 65 2HE2 GLN 65 4.525 15.067 -9.445 511 H ILE 66 H ILE 66 0.717 9.679 -7.211 512 HA ILE 66 HA ILE 66 2.597 7.645 -8.193 513 HB ILE 66 HB ILE 66 0.817 6.661 -6.902 514 1HG1 ILE 66 1HG1 ILE 66 0.341 6.169 -9.849 515 2HG1 ILE 66 2HG1 ILE 66 1.635 5.453 -8.896 516 1HG2 ILE 66 1HG2 ILE 66 -1.109 8.003 -8.792 517 2HG2 ILE 66 2HG2 ILE 66 -0.864 8.393 -7.088 518 3HG2 ILE 66 3HG2 ILE 66 -1.539 6.828 -7.548 519 1HD1 ILE 66 1HD1 ILE 66 -0.226 3.912 -9.237 520 2HD1 ILE 66 2HD1 ILE 66 -1.306 5.040 -8.418 521 3HD1 ILE 66 3HD1 ILE 66 0.015 4.282 -7.531 522 H ASP 67 H ASP 67 3.262 7.901 -10.168 523 HA ASP 67 HA ASP 67 1.451 9.079 -12.170 524 1HB ASP 67 1HB ASP 67 3.095 10.766 -11.438 525 2HB ASP 67 2HB ASP 67 4.404 9.663 -11.847 526 H GLY 68 H GLY 68 1.059 7.586 -13.644 527 1HA GLY 68 1HA GLY 68 1.366 5.859 -15.138 528 2HA GLY 68 2HA GLY 68 3.093 6.182 -15.043 529 H ASN 69 H ASN 69 4.309 4.622 -14.216 530 HA ASN 69 HA ASN 69 3.051 2.734 -12.316 531 1HB ASN 69 1HB ASN 69 3.947 1.849 -14.605 532 2HB ASN 69 2HB ASN 69 5.537 2.078 -13.886 533 1HD2 ASN 69 1HD2 ASN 69 6.087 -0.058 -13.778 534 2HD2 ASN 69 2HD2 ASN 69 5.291 -1.202 -12.754 535 H THR 70 H THR 70 4.525 5.390 -12.138 536 HA THR 70 HA THR 70 6.738 4.562 -10.391 537 HB THR 70 HB THR 70 6.322 7.249 -11.716 538 HG1 THR 70 HG1 THR 70 7.184 6.328 -13.403 539 1HG2 THR 70 1HG2 THR 70 8.622 7.702 -11.047 540 2HG2 THR 70 2HG2 THR 70 8.734 6.111 -10.292 541 3HG2 THR 70 3HG2 THR 70 7.640 7.328 -9.630 542 H VAL 71 H VAL 71 6.728 5.152 -8.313 543 HA VAL 71 HA VAL 71 4.518 6.866 -7.377 544 HB VAL 71 HB VAL 71 5.758 4.610 -5.796 545 1HG1 VAL 71 1HG1 VAL 71 3.254 6.238 -5.387 546 2HG1 VAL 71 2HG1 VAL 71 4.737 6.330 -4.440 547 3HG1 VAL 71 3HG1 VAL 71 3.752 4.869 -4.392 548 1HG2 VAL 71 1HG2 VAL 71 3.187 4.564 -7.380 549 2HG2 VAL 71 2HG2 VAL 71 3.746 3.300 -6.285 550 3HG2 VAL 71 3HG2 VAL 71 4.657 3.661 -7.753 551 H THR 72 H THR 72 5.250 8.690 -6.530 552 HA THR 72 HA THR 72 8.055 8.795 -5.654 553 HB THR 72 HB THR 72 6.275 11.083 -6.528 554 HG1 THR 72 HG1 THR 72 6.746 9.787 -8.309 555 1HG2 THR 72 1HG2 THR 72 9.253 10.953 -6.039 556 2HG2 THR 72 2HG2 THR 72 8.072 11.747 -4.999 557 3HG2 THR 72 3HG2 THR 72 8.363 12.358 -6.628 558 H VAL 73 H VAL 73 8.360 8.907 -3.547 559 HA VAL 73 HA VAL 73 6.200 9.739 -1.776 560 HB VAL 73 HB VAL 73 8.983 8.798 -1.043 561 1HG1 VAL 73 1HG1 VAL 73 7.994 8.317 1.137 562 2HG1 VAL 73 2HG1 VAL 73 6.444 8.949 0.577 563 3HG1 VAL 73 3HG1 VAL 73 7.835 10.024 0.725 564 1HG2 VAL 73 1HG2 VAL 73 6.440 7.184 -1.247 565 2HG2 VAL 73 2HG2 VAL 73 7.997 6.598 -0.661 566 3HG2 VAL 73 3HG2 VAL 73 7.815 7.085 -2.345 567 H THR 74 H THR 74 5.987 11.915 -1.712 568 HA THR 74 HA THR 74 8.456 13.519 -1.606 569 HB THR 74 HB THR 74 7.208 13.797 -3.724 570 HG1 THR 74 HG1 THR 74 6.776 16.234 -3.251 571 1HG2 THR 74 1HG2 THR 74 5.027 14.938 -3.705 572 2HG2 THR 74 2HG2 THR 74 4.990 14.814 -1.946 573 3HG2 THR 74 3HG2 THR 74 4.955 13.353 -2.934 574 H ALA 75 H ALA 75 8.223 15.589 -0.479 575 HA ALA 75 HA ALA 75 6.940 15.261 2.054 576 1HB ALA 75 1HB ALA 75 7.933 17.428 2.599 577 2HB ALA 75 2HB ALA 75 8.398 17.644 0.910 578 3HB ALA 75 3HB ALA 75 9.122 16.350 1.867 579 H SER 76 H SER 76 5.536 16.985 2.983 580 HA SER 76 HA SER 76 3.297 17.359 1.227 581 1HB SER 76 1HB SER 76 3.736 18.184 4.103 582 2HB SER 76 2HB SER 76 2.197 18.294 3.249 583 HG SER 76 HG SER 76 3.576 16.042 4.179 584 H ALA 77 H ALA 77 5.213 18.782 0.044 585 HA ALA 77 HA ALA 77 5.176 21.551 0.727 586 1HB ALA 77 1HB ALA 77 6.960 20.588 -0.644 587 2HB ALA 77 2HB ALA 77 6.142 21.901 -1.493 588 3HB ALA 77 3HB ALA 77 5.792 20.225 -1.914 589 H ALA 78 H ALA 78 3.243 19.431 -1.245 590 HA ALA 78 HA ALA 78 1.384 21.625 -1.822 591 1HB ALA 78 1HB ALA 78 2.112 20.342 -3.778 592 2HB ALA 78 2HB ALA 78 0.388 20.122 -3.481 593 3HB ALA 78 3HB ALA 78 1.529 18.858 -3.022 594 H ALA 79 H ALA 79 1.070 21.317 0.638 595 HA ALA 79 HA ALA 79 -0.435 18.984 1.442 596 1HB ALA 79 1HB ALA 79 0.201 21.501 2.982 597 2HB ALA 79 2HB ALA 79 1.165 20.024 2.978 598 3HB ALA 79 3HB ALA 79 -0.465 20.010 3.651 599 H LYS 80 H LYS 80 -1.919 19.768 -0.460 600 HA LYS 80 HA LYS 80 -4.276 20.920 0.816 601 1HB LYS 80 1HB LYS 80 -2.915 22.708 -0.485 602 2HB LYS 80 2HB LYS 80 -3.461 21.868 -1.929 603 1HG LYS 80 1HG LYS 80 -4.898 23.750 -1.500 604 2HG LYS 80 2HG LYS 80 -5.799 22.253 -1.235 605 1HD LYS 80 1HD LYS 80 -5.641 22.475 1.126 606 2HD LYS 80 2HD LYS 80 -4.463 23.782 0.993 607 1HE LYS 80 1HE LYS 80 -6.676 24.635 1.585 608 2HE LYS 80 2HE LYS 80 -6.162 25.228 0.009 609 1HZ LYS 80 1HZ LYS 80 -7.882 22.836 0.260 610 2HZ LYS 80 2HZ LYS 80 -7.663 23.848 -1.083 611 3HZ LYS 80 3HZ LYS 80 -8.539 24.397 0.262 612 H ASP 81 H ASP 81 -4.626 18.554 0.713 613 HA ASP 81 HA ASP 81 -5.087 17.415 -1.916 614 1HB ASP 81 1HB ASP 81 -5.148 16.328 0.885 615 2HB ASP 81 2HB ASP 81 -5.843 15.410 -0.449 616 H GLY 82 H GLY 82 -6.761 19.512 -0.254 617 1HA GLY 82 1HA GLY 82 -9.230 18.819 -1.519 618 2HA GLY 82 2HA GLY 82 -9.304 18.675 0.235 Start of MODEL 18 1 1H SER 1 1H SER 1 -8.717 -6.493 -11.561 2 2H SER 1 2H SER 1 -9.910 -5.338 -11.232 3 3H SER 1 3H SER 1 -10.009 -6.884 -10.541 4 HA SER 1 HA SER 1 -7.844 -4.944 -10.007 5 1HB SER 1 1HB SER 1 -10.227 -5.692 -8.291 6 2HB SER 1 2HB SER 1 -8.933 -4.581 -7.842 7 HG SER 1 HG SER 1 -9.609 -3.163 -9.430 8 H GLN 2 H GLN 2 -6.234 -5.695 -8.702 9 HA GLN 2 HA GLN 2 -6.524 -8.410 -7.604 10 1HB GLN 2 1HB GLN 2 -4.183 -7.334 -9.176 11 2HB GLN 2 2HB GLN 2 -4.072 -8.753 -8.147 12 1HG GLN 2 1HG GLN 2 -5.903 -9.773 -9.517 13 2HG GLN 2 2HG GLN 2 -5.738 -8.410 -10.624 14 1HE2 GLN 2 1HE2 GLN 2 -2.839 -8.250 -10.214 15 2HE2 GLN 2 2HE2 GLN 2 -2.157 -9.579 -11.086 16 H GLU 3 H GLU 3 -5.501 -8.779 -5.655 17 HA GLU 3 HA GLU 3 -4.306 -6.397 -4.402 18 1HB GLU 3 1HB GLU 3 -5.578 -8.805 -3.082 19 2HB GLU 3 2HB GLU 3 -4.779 -7.499 -2.221 20 1HG GLU 3 1HG GLU 3 -6.928 -6.814 -2.023 21 2HG GLU 3 2HG GLU 3 -6.530 -6.035 -3.554 22 H TRP 4 H TRP 4 -2.502 -6.823 -2.918 23 HA TRP 4 HA TRP 4 -0.899 -9.092 -3.869 24 1HB TRP 4 1HB TRP 4 0.016 -6.229 -3.537 25 2HB TRP 4 2HB TRP 4 1.096 -7.590 -3.834 26 HD1 TRP 4 HD1 TRP 4 0.873 -8.807 -6.264 27 HE1 TRP 4 HE1 TRP 4 0.107 -7.870 -8.535 28 HE3 TRP 4 HE3 TRP 4 -1.528 -4.593 -4.641 29 HZ2 TRP 4 HZ2 TRP 4 -1.325 -5.641 -9.510 30 HZ3 TRP 4 HZ3 TRP 4 -2.571 -3.116 -6.309 31 HH2 TRP 4 HH2 TRP 4 -2.470 -3.630 -8.693 32 H THR 5 H THR 5 0.519 -9.989 -2.432 33 HA THR 5 HA THR 5 -0.027 -9.376 0.379 34 HB THR 5 HB THR 5 1.501 -11.734 -0.747 35 HG1 THR 5 HG1 THR 5 -0.915 -11.341 -1.307 36 1HG2 THR 5 1HG2 THR 5 0.943 -12.768 1.409 37 2HG2 THR 5 2HG2 THR 5 0.135 -11.285 1.910 38 3HG2 THR 5 3HG2 THR 5 1.876 -11.289 1.630 39 H LEU 6 H LEU 6 1.265 -7.766 0.992 40 HA LEU 6 HA LEU 6 3.963 -7.613 -0.141 41 1HB LEU 6 1HB LEU 6 2.364 -5.502 1.304 42 2HB LEU 6 2HB LEU 6 3.895 -5.265 0.482 43 HG LEU 6 HG LEU 6 1.306 -6.041 -0.864 44 1HD1 LEU 6 1HD1 LEU 6 1.230 -3.759 -0.030 45 2HD1 LEU 6 2HD1 LEU 6 1.357 -3.778 -1.791 46 3HD1 LEU 6 3HD1 LEU 6 2.775 -3.411 -0.807 47 1HD2 LEU 6 1HD2 LEU 6 3.229 -6.914 -2.051 48 2HD2 LEU 6 2HD2 LEU 6 4.003 -5.331 -2.003 49 3HD2 LEU 6 3HD2 LEU 6 2.529 -5.563 -2.941 50 H ASP 7 H ASP 7 5.605 -8.235 1.056 51 HA ASP 7 HA ASP 7 5.399 -8.239 3.964 52 1HB ASP 7 1HB ASP 7 7.445 -9.322 2.029 53 2HB ASP 7 2HB ASP 7 7.770 -9.214 3.755 54 H ILE 8 H ILE 8 5.548 -6.161 4.645 55 HA ILE 8 HA ILE 8 7.750 -4.522 3.618 56 HB ILE 8 HB ILE 8 5.282 -3.729 5.169 57 1HG1 ILE 8 1HG1 ILE 8 4.796 -4.356 2.858 58 2HG1 ILE 8 2HG1 ILE 8 4.608 -2.619 3.076 59 1HG2 ILE 8 1HG2 ILE 8 7.458 -1.987 4.020 60 2HG2 ILE 8 2HG2 ILE 8 7.154 -2.280 5.733 61 3HG2 ILE 8 3HG2 ILE 8 5.962 -1.413 4.763 62 1HD1 ILE 8 1HD1 ILE 8 6.995 -3.977 1.845 63 2HD1 ILE 8 2HD1 ILE 8 6.762 -2.238 2.024 64 3HD1 ILE 8 3HD1 ILE 8 5.700 -3.168 0.967 65 HA PRO 9 HA PRO 9 9.808 -5.464 7.475 66 1HB PRO 9 1HB PRO 9 11.789 -3.512 6.505 67 2HB PRO 9 2HB PRO 9 11.989 -5.228 6.875 68 1HG PRO 9 1HG PRO 9 12.026 -4.333 4.349 69 2HG PRO 9 2HG PRO 9 11.308 -5.899 4.770 70 1HD PRO 9 1HD PRO 9 9.948 -3.276 4.244 71 2HD PRO 9 2HD PRO 9 9.509 -4.903 3.676 72 H ALA 10 H ALA 10 10.076 -4.517 9.414 73 HA ALA 10 HA ALA 10 9.157 -1.752 9.743 74 1HB ALA 10 1HB ALA 10 8.048 -3.432 11.118 75 2HB ALA 10 2HB ALA 10 8.970 -2.318 12.130 76 3HB ALA 10 3HB ALA 10 9.602 -3.931 11.787 77 H GLN 11 H GLN 11 11.764 -2.546 8.707 78 HA GLN 11 HA GLN 11 13.620 -1.592 10.755 79 1HB GLN 11 1HB GLN 11 14.164 -2.549 7.930 80 2HB GLN 11 2HB GLN 11 15.362 -2.254 9.181 81 1HG GLN 11 1HG GLN 11 14.581 -4.117 10.461 82 2HG GLN 11 2HG GLN 11 13.204 -4.339 9.386 83 1HE2 GLN 11 1HE2 GLN 11 14.793 -3.839 6.986 84 2HE2 GLN 11 2HE2 GLN 11 15.718 -5.275 6.732 85 H SER 12 H SER 12 15.449 -0.376 8.950 86 HA SER 12 HA SER 12 14.572 2.208 8.573 87 1HB SER 12 1HB SER 12 16.923 1.547 8.366 88 2HB SER 12 2HB SER 12 16.556 0.636 6.903 89 HG SER 12 HG SER 12 17.377 2.612 6.303 90 H MET 13 H MET 13 13.284 3.200 7.190 91 HA MET 13 HA MET 13 11.412 1.947 5.618 92 1HB MET 13 1HB MET 13 11.156 4.240 6.374 93 2HB MET 13 2HB MET 13 12.496 4.758 5.357 94 1HG MET 13 1HG MET 13 11.237 4.277 3.369 95 2HG MET 13 2HG MET 13 9.920 3.595 4.319 96 1HE MET 13 1HE MET 13 8.275 4.976 5.796 97 2HE MET 13 2HE MET 13 8.416 6.709 6.091 98 3HE MET 13 3HE MET 13 9.625 5.601 6.747 99 H ASN 14 H ASN 14 14.657 2.850 4.757 100 HA ASN 14 HA ASN 14 14.546 2.732 1.983 101 1HB ASN 14 1HB ASN 14 16.571 3.423 3.113 102 2HB ASN 14 2HB ASN 14 16.737 1.840 3.868 103 1HD2 ASN 14 1HD2 ASN 14 17.636 0.183 2.742 104 2HD2 ASN 14 2HD2 ASN 14 18.329 0.362 1.163 105 H SER 15 H SER 15 14.649 0.123 4.372 106 HA SER 15 HA SER 15 15.038 -1.971 2.468 107 1HB SER 15 1HB SER 15 15.624 -2.123 4.918 108 2HB SER 15 2HB SER 15 13.894 -2.162 5.279 109 HG SER 15 HG SER 15 15.509 -4.089 4.003 110 H ALA 16 H ALA 16 12.292 -0.543 4.145 111 HA ALA 16 HA ALA 16 10.293 -2.299 3.259 112 1HB ALA 16 1HB ALA 16 10.054 0.622 3.968 113 2HB ALA 16 2HB ALA 16 9.970 -0.729 5.097 114 3HB ALA 16 3HB ALA 16 8.724 -0.531 3.867 115 H LEU 17 H LEU 17 11.559 0.681 1.832 116 HA LEU 17 HA LEU 17 9.658 0.768 -0.275 117 1HB LEU 17 1HB LEU 17 12.365 2.068 -0.009 118 2HB LEU 17 2HB LEU 17 11.210 2.431 -1.280 119 HG LEU 17 HG LEU 17 10.771 2.876 1.674 120 1HD1 LEU 17 1HD1 LEU 17 12.370 4.444 0.758 121 2HD1 LEU 17 2HD1 LEU 17 10.838 5.253 1.080 122 3HD1 LEU 17 3HD1 LEU 17 11.275 4.818 -0.572 123 1HD2 LEU 17 1HD2 LEU 17 9.031 3.547 -0.692 124 2HD2 LEU 17 2HD2 LEU 17 8.732 4.032 0.976 125 3HD2 LEU 17 3HD2 LEU 17 8.699 2.326 0.534 126 H GLN 18 H GLN 18 12.984 -0.481 -0.070 127 HA GLN 18 HA GLN 18 13.250 -1.356 -2.707 128 1HB GLN 18 1HB GLN 18 14.279 -2.640 -0.170 129 2HB GLN 18 2HB GLN 18 14.795 -3.091 -1.787 130 1HG GLN 18 1HG GLN 18 15.743 -0.892 -2.132 131 2HG GLN 18 2HG GLN 18 15.151 -0.367 -0.555 132 1HE2 GLN 18 1HE2 GLN 18 15.753 -2.954 0.667 133 2HE2 GLN 18 2HE2 GLN 18 17.469 -3.005 0.879 134 H ALA 19 H ALA 19 11.744 -2.903 0.077 135 HA ALA 19 HA ALA 19 11.164 -5.365 -1.183 136 1HB ALA 19 1HB ALA 19 11.194 -5.140 1.237 137 2HB ALA 19 2HB ALA 19 9.625 -5.735 0.691 138 3HB ALA 19 3HB ALA 19 9.812 -4.047 1.167 139 H LEU 20 H LEU 20 9.347 -2.329 -0.864 140 HA LEU 20 HA LEU 20 6.879 -3.367 -1.796 141 1HB LEU 20 1HB LEU 20 7.021 -1.326 -0.466 142 2HB LEU 20 2HB LEU 20 7.941 -0.541 -1.734 143 HG LEU 20 HG LEU 20 5.965 -0.711 -3.231 144 1HD1 LEU 20 1HD1 LEU 20 4.587 -1.705 -0.740 145 2HD1 LEU 20 2HD1 LEU 20 4.888 -2.638 -2.206 146 3HD1 LEU 20 3HD1 LEU 20 3.791 -1.258 -2.247 147 1HD2 LEU 20 1HD2 LEU 20 6.391 1.329 -1.967 148 2HD2 LEU 20 2HD2 LEU 20 5.485 0.683 -0.599 149 3HD2 LEU 20 3HD2 LEU 20 4.661 1.033 -2.118 150 H ALA 21 H ALA 21 9.550 -1.657 -3.353 151 HA ALA 21 HA ALA 21 8.272 -1.226 -5.849 152 1HB ALA 21 1HB ALA 21 10.262 0.028 -5.100 153 2HB ALA 21 2HB ALA 21 10.475 -0.687 -6.697 154 3HB ALA 21 3HB ALA 21 11.231 -1.434 -5.291 155 H LYS 22 H LYS 22 10.432 -3.704 -4.639 156 HA LYS 22 HA LYS 22 10.728 -5.265 -6.929 157 1HB LYS 22 1HB LYS 22 12.111 -5.541 -4.960 158 2HB LYS 22 2HB LYS 22 10.717 -6.001 -3.997 159 1HG LYS 22 1HG LYS 22 10.490 -7.988 -5.576 160 2HG LYS 22 2HG LYS 22 12.113 -7.572 -6.135 161 1HD LYS 22 1HD LYS 22 12.213 -9.265 -4.380 162 2HD LYS 22 2HD LYS 22 12.946 -7.756 -3.831 163 1HE LYS 22 1HE LYS 22 10.824 -7.183 -2.701 164 2HE LYS 22 2HE LYS 22 10.167 -8.743 -3.186 165 1HZ LYS 22 1HZ LYS 22 10.935 -8.901 -0.957 166 2HZ LYS 22 2HZ LYS 22 12.447 -8.248 -1.354 167 3HZ LYS 22 3HZ LYS 22 12.013 -9.789 -1.923 168 H GLN 23 H GLN 23 8.201 -5.255 -4.462 169 HA GLN 23 HA GLN 23 7.106 -7.763 -5.304 170 1HB GLN 23 1HB GLN 23 6.256 -5.697 -3.294 171 2HB GLN 23 2HB GLN 23 5.278 -7.117 -3.641 172 1HG GLN 23 1HG GLN 23 6.986 -8.584 -2.884 173 2HG GLN 23 2HG GLN 23 8.155 -7.269 -2.784 174 1HE2 GLN 23 1HE2 GLN 23 6.267 -5.410 -1.613 175 2HE2 GLN 23 2HE2 GLN 23 6.056 -5.903 0.029 176 H THR 24 H THR 24 6.299 -4.377 -5.935 177 HA THR 24 HA THR 24 3.911 -5.330 -7.372 178 HB THR 24 HB THR 24 3.255 -2.835 -7.254 179 HG1 THR 24 HG1 THR 24 4.911 -1.746 -6.408 180 1HG2 THR 24 1HG2 THR 24 3.334 -4.529 -4.754 181 2HG2 THR 24 2HG2 THR 24 2.108 -4.605 -6.018 182 3HG2 THR 24 3HG2 THR 24 2.265 -3.154 -5.026 183 H ASP 25 H ASP 25 6.970 -4.561 -8.049 184 HA ASP 25 HA ASP 25 8.138 -3.885 -9.874 185 1HB ASP 25 1HB ASP 25 5.522 -4.513 -11.255 186 2HB ASP 25 2HB ASP 25 7.022 -4.149 -12.101 187 H THR 26 H THR 26 7.045 -1.828 -8.340 188 HA THR 26 HA THR 26 6.129 0.137 -10.322 189 HB THR 26 HB THR 26 5.524 1.459 -8.184 190 HG1 THR 26 HG1 THR 26 6.480 0.285 -6.584 191 1HG2 THR 26 1HG2 THR 26 3.869 0.438 -9.686 192 2HG2 THR 26 2HG2 THR 26 3.374 0.318 -7.996 193 3HG2 THR 26 3HG2 THR 26 4.039 -1.092 -8.823 194 H GLN 27 H GLN 27 6.953 2.315 -10.155 195 HA GLN 27 HA GLN 27 9.775 2.351 -9.377 196 1HB GLN 27 1HB GLN 27 9.219 3.066 -11.669 197 2HB GLN 27 2HB GLN 27 8.168 4.321 -11.024 198 1HG GLN 27 1HG GLN 27 10.184 5.276 -9.877 199 2HG GLN 27 2HG GLN 27 11.156 4.129 -10.797 200 1HE2 GLN 27 1HE2 GLN 27 9.188 6.972 -10.937 201 2HE2 GLN 27 2HE2 GLN 27 9.635 7.457 -12.532 202 H LEU 28 H LEU 28 10.394 3.344 -7.574 203 HA LEU 28 HA LEU 28 8.494 5.165 -6.272 204 1HB LEU 28 1HB LEU 28 10.755 3.572 -5.055 205 2HB LEU 28 2HB LEU 28 9.684 4.647 -4.176 206 HG LEU 28 HG LEU 28 8.871 2.096 -5.573 207 1HD1 LEU 28 1HD1 LEU 28 8.443 1.293 -3.298 208 2HD1 LEU 28 2HD1 LEU 28 9.104 2.794 -2.652 209 3HD1 LEU 28 3HD1 LEU 28 10.144 1.688 -3.549 210 1HD2 LEU 28 1HD2 LEU 28 7.243 4.026 -3.924 211 2HD2 LEU 28 2HD2 LEU 28 6.690 2.460 -4.517 212 3HD2 LEU 28 3HD2 LEU 28 7.082 3.746 -5.659 213 H LEU 29 H LEU 29 8.991 7.232 -6.463 214 HA LEU 29 HA LEU 29 11.801 7.980 -6.876 215 1HB LEU 29 1HB LEU 29 9.923 8.631 -8.516 216 2HB LEU 29 2HB LEU 29 9.390 9.746 -7.277 217 HG LEU 29 HG LEU 29 10.766 10.771 -9.096 218 1HD1 LEU 29 1HD1 LEU 29 12.165 12.122 -7.630 219 2HD1 LEU 29 2HD1 LEU 29 11.936 10.956 -6.327 220 3HD1 LEU 29 3HD1 LEU 29 10.562 11.877 -6.940 221 1HD2 LEU 29 1HD2 LEU 29 12.319 8.954 -9.475 222 2HD2 LEU 29 2HD2 LEU 29 12.972 9.146 -7.850 223 3HD2 LEU 29 3HD2 LEU 29 13.193 10.423 -9.042 224 H TYR 30 H TYR 30 12.789 8.496 -5.058 225 HA TYR 30 HA TYR 30 11.650 10.415 -3.240 226 1HB TYR 30 1HB TYR 30 11.713 9.024 -1.258 227 2HB TYR 30 2HB TYR 30 10.673 8.258 -2.451 228 HD1 TYR 30 HD1 TYR 30 11.493 6.245 -3.689 229 HD2 TYR 30 HD2 TYR 30 13.681 7.953 -0.463 230 HE1 TYR 30 HE1 TYR 30 12.795 4.169 -3.480 231 HE2 TYR 30 HE2 TYR 30 14.993 5.886 -0.250 232 HH TYR 30 HH TYR 30 15.014 3.459 -2.596 233 H SER 31 H SER 31 13.218 11.148 -1.673 234 HA SER 31 HA SER 31 15.969 10.580 -2.488 235 1HB SER 31 1HB SER 31 16.315 12.715 -0.984 236 2HB SER 31 2HB SER 31 15.706 12.877 -2.634 237 HG SER 31 HG SER 31 14.552 13.642 -0.369 238 HA PRO 32 HA PRO 32 16.049 7.937 1.118 239 1HB PRO 32 1HB PRO 32 18.950 7.943 0.497 240 2HB PRO 32 2HB PRO 32 17.842 6.582 0.703 241 1HG PRO 32 1HG PRO 32 18.707 7.284 -1.718 242 2HG PRO 32 2HG PRO 32 17.037 6.739 -1.466 243 1HD PRO 32 1HD PRO 32 18.096 9.510 -1.841 244 2HD PRO 32 2HD PRO 32 16.606 8.777 -2.471 245 H GLU 33 H GLU 33 18.074 10.769 0.647 246 HA GLU 33 HA GLU 33 19.191 10.772 3.273 247 1HB GLU 33 1HB GLU 33 19.816 13.124 2.756 248 2HB GLU 33 2HB GLU 33 20.328 11.975 1.528 249 1HG GLU 33 1HG GLU 33 17.710 13.241 1.077 250 2HG GLU 33 2HG GLU 33 19.111 14.308 0.996 251 H ASP 34 H ASP 34 16.106 11.586 2.051 252 HA ASP 34 HA ASP 34 15.547 13.561 4.092 253 1HB ASP 34 1HB ASP 34 14.036 12.472 1.763 254 2HB ASP 34 2HB ASP 34 13.141 13.256 3.064 255 H ILE 35 H ILE 35 15.434 10.174 3.914 256 HA ILE 35 HA ILE 35 13.518 10.105 6.133 257 HB ILE 35 HB ILE 35 13.471 7.670 5.863 258 1HG1 ILE 35 1HG1 ILE 35 15.295 8.125 3.490 259 2HG1 ILE 35 2HG1 ILE 35 15.773 7.370 5.006 260 1HG2 ILE 35 1HG2 ILE 35 12.992 9.202 3.312 261 2HG2 ILE 35 2HG2 ILE 35 11.864 9.011 4.654 262 3HG2 ILE 35 3HG2 ILE 35 12.328 7.612 3.687 263 1HD1 ILE 35 1HD1 ILE 35 15.372 5.705 3.296 264 2HD1 ILE 35 2HD1 ILE 35 13.732 6.311 3.065 265 3HD1 ILE 35 3HD1 ILE 35 14.187 5.555 4.591 266 H GLY 36 H GLY 36 16.862 9.578 5.311 267 1HA GLY 36 1HA GLY 36 18.724 9.495 6.645 268 2HA GLY 36 2HA GLY 36 17.703 10.028 7.968 269 H GLY 37 H GLY 37 16.580 7.183 6.530 270 1HA GLY 37 1HA GLY 37 16.808 4.938 7.084 271 2HA GLY 37 2HA GLY 37 18.155 5.366 8.131 272 H LEU 38 H LEU 38 14.778 6.477 8.121 273 HA LEU 38 HA LEU 38 14.587 5.827 10.945 274 1HB LEU 38 1HB LEU 38 12.270 6.855 10.694 275 2HB LEU 38 2HB LEU 38 13.645 7.922 10.510 276 HG LEU 38 HG LEU 38 13.340 7.621 7.986 277 1HD1 LEU 38 1HD1 LEU 38 11.080 7.032 7.261 278 2HD1 LEU 38 2HD1 LEU 38 10.674 6.577 8.917 279 3HD1 LEU 38 3HD1 LEU 38 11.901 5.672 8.029 280 1HD2 LEU 38 1HD2 LEU 38 11.600 9.334 7.903 281 2HD2 LEU 38 2HD2 LEU 38 12.767 9.667 9.183 282 3HD2 LEU 38 3HD2 LEU 38 11.185 8.998 9.584 283 H ARG 39 H ARG 39 12.797 4.537 11.779 284 HA ARG 39 HA ARG 39 12.569 2.159 10.147 285 1HB ARG 39 1HB ARG 39 11.632 1.094 12.142 286 2HB ARG 39 2HB ARG 39 13.154 1.890 12.491 287 1HG ARG 39 1HG ARG 39 11.814 3.828 13.370 288 2HG ARG 39 2HG ARG 39 10.387 2.802 13.221 289 1HD ARG 39 1HD ARG 39 11.591 1.119 14.657 290 2HD ARG 39 2HD ARG 39 12.813 2.358 14.949 291 HE ARG 39 HE ARG 39 10.015 2.411 15.857 292 1HH1 ARG 39 1HH1 ARG 39 13.218 3.858 15.869 293 2HH1 ARG 39 2HH1 ARG 39 12.895 4.836 17.275 294 1HH2 ARG 39 1HH2 ARG 39 9.622 3.659 17.713 295 2HH2 ARG 39 2HH2 ARG 39 10.868 4.696 18.342 296 H SER 40 H SER 40 10.917 1.582 8.988 297 HA SER 40 HA SER 40 8.528 3.217 8.964 298 1HB SER 40 1HB SER 40 7.962 1.592 7.040 299 2HB SER 40 2HB SER 40 9.318 2.695 6.808 300 HG SER 40 HG SER 40 9.367 -0.074 7.394 301 H SER 41 H SER 41 6.383 2.206 8.946 302 HA SER 41 HA SER 41 6.194 0.224 11.061 303 1HB SER 41 1HB SER 41 3.999 1.761 9.649 304 2HB SER 41 2HB SER 41 3.841 0.841 11.148 305 HG SER 41 HG SER 41 5.851 2.580 11.431 306 H ALA 42 H ALA 42 6.119 -1.844 10.563 307 HA ALA 42 HA ALA 42 6.059 -2.835 7.959 308 1HB ALA 42 1HB ALA 42 5.969 -5.035 8.954 309 2HB ALA 42 2HB ALA 42 5.479 -4.342 10.500 310 3HB ALA 42 3HB ALA 42 7.085 -4.006 9.854 311 H LEU 43 H LEU 43 4.393 -2.722 6.626 312 HA LEU 43 HA LEU 43 1.736 -3.475 7.637 313 1HB LEU 43 1HB LEU 43 1.903 -1.238 6.576 314 2HB LEU 43 2HB LEU 43 2.467 -1.995 5.101 315 HG LEU 43 HG LEU 43 0.287 -3.189 4.928 316 1HD1 LEU 43 1HD1 LEU 43 -0.480 -1.410 7.239 317 2HD1 LEU 43 2HD1 LEU 43 -0.331 -3.167 7.281 318 3HD1 LEU 43 3HD1 LEU 43 -1.584 -2.414 6.297 319 1HD2 LEU 43 1HD2 LEU 43 -0.987 -1.251 4.191 320 2HD2 LEU 43 2HD2 LEU 43 0.704 -1.109 3.707 321 3HD2 LEU 43 3HD2 LEU 43 0.098 -0.182 5.080 322 H LYS 44 H LYS 44 2.265 -5.699 7.571 323 HA LYS 44 HA LYS 44 2.759 -6.831 4.911 324 1HB LYS 44 1HB LYS 44 4.262 -7.463 6.828 325 2HB LYS 44 2HB LYS 44 2.881 -8.234 7.590 326 1HG LYS 44 1HG LYS 44 3.736 -9.025 4.832 327 2HG LYS 44 2HG LYS 44 4.559 -9.670 6.250 328 1HD LYS 44 1HD LYS 44 2.393 -10.510 7.087 329 2HD LYS 44 2HD LYS 44 1.612 -9.905 5.627 330 1HE LYS 44 1HE LYS 44 2.084 -12.315 5.510 331 2HE LYS 44 2HE LYS 44 2.932 -11.405 4.260 332 1HZ LYS 44 1HZ LYS 44 4.260 -12.048 6.815 333 2HZ LYS 44 2HZ LYS 44 4.959 -11.692 5.305 334 3HZ LYS 44 3HZ LYS 44 4.202 -13.186 5.564 335 H GLY 45 H GLY 45 1.033 -7.416 3.827 336 1HA GLY 45 1HA GLY 45 -0.796 -9.312 4.689 337 2HA GLY 45 2HA GLY 45 -1.526 -7.743 4.994 338 H ARG 46 H ARG 46 -3.139 -8.512 3.497 339 HA ARG 46 HA ARG 46 -2.321 -8.547 0.681 340 1HB ARG 46 1HB ARG 46 -3.713 -10.407 1.365 341 2HB ARG 46 2HB ARG 46 -4.904 -9.317 2.056 342 1HG ARG 46 1HG ARG 46 -5.444 -8.483 -0.167 343 2HG ARG 46 2HG ARG 46 -4.218 -9.543 -0.866 344 1HD ARG 46 1HD ARG 46 -5.414 -11.488 -0.189 345 2HD ARG 46 2HD ARG 46 -6.543 -10.530 0.767 346 HE ARG 46 HE ARG 46 -7.128 -9.522 -1.530 347 1HH1 ARG 46 1HH1 ARG 46 -6.166 -12.859 -1.010 348 2HH1 ARG 46 2HH1 ARG 46 -7.134 -13.461 -2.330 349 1HH2 ARG 46 1HH2 ARG 46 -8.366 -10.301 -3.244 350 2HH2 ARG 46 2HH2 ARG 46 -8.373 -12.005 -3.611 351 H HIS 47 H HIS 47 -2.182 -6.537 -0.104 352 HA HIS 47 HA HIS 47 -4.493 -4.761 0.247 353 1HB HIS 47 1HB HIS 47 -1.612 -4.042 0.793 354 2HB HIS 47 2HB HIS 47 -2.827 -2.827 0.424 355 HD1 HIS 47 HD1 HIS 47 -4.538 -2.253 2.249 356 HD2 HIS 47 HD2 HIS 47 -1.838 -5.231 3.342 357 HE1 HIS 47 HE1 HIS 47 -4.803 -2.536 4.736 358 HE2 HIS 47 HE2 HIS 47 -3.168 -4.341 5.383 359 H ASP 48 H ASP 48 -5.003 -3.564 -1.524 360 HA ASP 48 HA ASP 48 -3.629 -3.937 -4.009 361 1HB ASP 48 1HB ASP 48 -6.014 -3.495 -4.010 362 2HB ASP 48 2HB ASP 48 -5.780 -1.984 -3.140 363 H LEU 49 H LEU 49 -2.722 -2.003 -5.253 364 HA LEU 49 HA LEU 49 -0.518 -1.024 -3.865 365 1HB LEU 49 1HB LEU 49 -0.682 -1.245 -6.332 366 2HB LEU 49 2HB LEU 49 -1.766 0.133 -6.361 367 HG LEU 49 HG LEU 49 0.047 1.561 -5.469 368 1HD1 LEU 49 1HD1 LEU 49 1.299 -0.184 -4.287 369 2HD1 LEU 49 2HD1 LEU 49 2.329 0.713 -5.402 370 3HD1 LEU 49 3HD1 LEU 49 1.759 -0.898 -5.834 371 1HD2 LEU 49 1HD2 LEU 49 1.380 1.606 -7.522 372 2HD2 LEU 49 2HD2 LEU 49 -0.339 1.420 -7.868 373 3HD2 LEU 49 3HD2 LEU 49 0.737 0.026 -7.972 374 H GLN 50 H GLN 50 -3.485 0.701 -4.840 375 HA GLN 50 HA GLN 50 -2.863 3.171 -3.682 376 1HB GLN 50 1HB GLN 50 -5.517 1.852 -4.237 377 2HB GLN 50 2HB GLN 50 -5.367 3.512 -3.683 378 1HG GLN 50 1HG GLN 50 -4.134 4.099 -5.680 379 2HG GLN 50 2HG GLN 50 -4.170 2.421 -6.218 380 1HE2 GLN 50 1HE2 GLN 50 -6.890 1.980 -5.329 381 2HE2 GLN 50 2HE2 GLN 50 -7.912 2.802 -6.457 382 H SER 51 H SER 51 -4.394 0.311 -2.336 383 HA SER 51 HA SER 51 -5.229 1.413 0.112 384 1HB SER 51 1HB SER 51 -6.052 -0.752 -0.677 385 2HB SER 51 2HB SER 51 -4.427 -1.430 -0.579 386 HG SER 51 HG SER 51 -6.193 -0.690 1.498 387 H SER 52 H SER 52 -2.292 -0.373 -0.764 388 HA SER 52 HA SER 52 -1.126 -0.357 1.788 389 1HB SER 52 1HB SER 52 -0.474 -1.845 -0.126 390 2HB SER 52 2HB SER 52 0.321 -0.457 -0.867 391 HG SER 52 HG SER 52 1.960 -1.141 0.268 392 H LEU 53 H LEU 53 -0.631 1.816 -0.999 393 HA LEU 53 HA LEU 53 1.483 3.281 0.095 394 1HB LEU 53 1HB LEU 53 -0.586 4.077 -1.947 395 2HB LEU 53 2HB LEU 53 0.846 5.021 -1.587 396 HG LEU 53 HG LEU 53 0.831 2.217 -2.710 397 1HD1 LEU 53 1HD1 LEU 53 1.625 3.257 -4.758 398 2HD1 LEU 53 2HD1 LEU 53 1.500 4.851 -4.012 399 3HD1 LEU 53 3HD1 LEU 53 0.043 3.898 -4.304 400 1HD2 LEU 53 1HD2 LEU 53 2.784 2.638 -1.308 401 2HD2 LEU 53 2HD2 LEU 53 3.113 4.121 -2.200 402 3HD2 LEU 53 3HD2 LEU 53 3.234 2.560 -3.012 403 H ARG 54 H ARG 54 -2.007 3.764 0.365 404 HA ARG 54 HA ARG 54 -1.769 6.373 1.495 405 1HB ARG 54 1HB ARG 54 -3.807 5.601 0.322 406 2HB ARG 54 2HB ARG 54 -4.110 4.466 1.631 407 1HG ARG 54 1HG ARG 54 -4.389 6.286 3.195 408 2HG ARG 54 2HG ARG 54 -3.983 7.458 1.939 409 1HD ARG 54 1HD ARG 54 -5.950 6.687 0.651 410 2HD ARG 54 2HD ARG 54 -6.373 5.620 1.991 411 HE ARG 54 HE ARG 54 -6.233 7.999 3.215 412 1HH1 ARG 54 1HH1 ARG 54 -7.828 7.006 0.263 413 2HH1 ARG 54 2HH1 ARG 54 -9.079 8.204 0.378 414 1HH2 ARG 54 1HH2 ARG 54 -7.888 9.575 3.386 415 2HH2 ARG 54 2HH2 ARG 54 -9.137 9.636 2.174 416 H ILE 55 H ILE 55 -2.366 3.152 2.859 417 HA ILE 55 HA ILE 55 -2.682 4.022 5.534 418 HB ILE 55 HB ILE 55 -1.847 1.303 4.507 419 1HG1 ILE 55 1HG1 ILE 55 -4.001 2.010 3.592 420 2HG1 ILE 55 2HG1 ILE 55 -4.226 0.720 4.766 421 1HG2 ILE 55 1HG2 ILE 55 -2.674 0.453 6.655 422 2HG2 ILE 55 2HG2 ILE 55 -2.952 2.110 7.195 423 3HG2 ILE 55 3HG2 ILE 55 -1.311 1.555 6.861 424 1HD1 ILE 55 1HD1 ILE 55 -4.681 3.652 5.261 425 2HD1 ILE 55 2HD1 ILE 55 -4.912 2.359 6.436 426 3HD1 ILE 55 3HD1 ILE 55 -5.927 2.433 4.997 427 H LEU 56 H LEU 56 0.102 2.994 3.649 428 HA LEU 56 HA LEU 56 1.916 2.865 5.842 429 1HB LEU 56 1HB LEU 56 2.230 1.668 3.692 430 2HB LEU 56 2HB LEU 56 2.494 3.207 2.899 431 HG LEU 56 HG LEU 56 4.501 3.565 4.317 432 1HD1 LEU 56 1HD1 LEU 56 3.858 2.181 6.219 433 2HD1 LEU 56 2HD1 LEU 56 5.419 1.679 5.569 434 3HD1 LEU 56 3HD1 LEU 56 3.971 0.734 5.217 435 1HD2 LEU 56 1HD2 LEU 56 4.464 1.013 2.708 436 2HD2 LEU 56 2HD2 LEU 56 5.909 1.906 3.179 437 3HD2 LEU 56 3HD2 LEU 56 4.738 2.641 2.085 438 H LEU 57 H LEU 57 0.829 5.401 3.712 439 HA LEU 57 HA LEU 57 2.961 7.219 4.201 440 1HB LEU 57 1HB LEU 57 1.425 7.341 2.248 441 2HB LEU 57 2HB LEU 57 0.136 7.829 3.335 442 HG LEU 57 HG LEU 57 1.757 9.753 3.995 443 1HD1 LEU 57 1HD1 LEU 57 3.694 8.855 2.804 444 2HD1 LEU 57 2HD1 LEU 57 3.243 10.454 2.207 445 3HD1 LEU 57 3HD1 LEU 57 2.827 9.015 1.278 446 1HD2 LEU 57 1HD2 LEU 57 0.391 9.724 1.308 447 2HD2 LEU 57 2HD2 LEU 57 0.822 11.153 2.248 448 3HD2 LEU 57 3HD2 LEU 57 -0.391 10.031 2.858 449 H GLN 58 H GLN 58 -0.273 6.817 5.538 450 HA GLN 58 HA GLN 58 -0.572 9.012 7.120 451 1HB GLN 58 1HB GLN 58 -1.343 6.162 7.749 452 2HB GLN 58 2HB GLN 58 -1.955 7.570 8.606 453 1HG GLN 58 1HG GLN 58 -3.043 8.381 6.650 454 2HG GLN 58 2HG GLN 58 -2.273 7.155 5.647 455 1HE2 GLN 58 1HE2 GLN 58 -3.515 6.437 8.819 456 2HE2 GLN 58 2HE2 GLN 58 -4.850 5.479 8.291 457 H GLY 59 H GLY 59 0.953 9.905 8.375 458 1HA GLY 59 1HA GLY 59 1.693 9.761 10.739 459 2HA GLY 59 2HA GLY 59 2.278 8.152 10.348 460 H THR 60 H THR 60 3.159 9.342 7.644 461 HA THR 60 HA THR 60 5.813 10.005 8.639 462 HB THR 60 HB THR 60 6.535 9.736 6.293 463 HG1 THR 60 HG1 THR 60 3.893 8.878 5.704 464 1HG2 THR 60 1HG2 THR 60 6.058 7.331 6.099 465 2HG2 THR 60 2HG2 THR 60 4.798 7.486 7.324 466 3HG2 THR 60 3HG2 THR 60 6.487 7.775 7.752 467 H GLY 61 H GLY 61 3.137 11.793 7.733 468 1HA GLY 61 1HA GLY 61 2.815 13.994 7.197 469 2HA GLY 61 2HA GLY 61 4.474 14.255 7.710 470 H LEU 62 H LEU 62 4.016 12.003 5.166 471 HA LEU 62 HA LEU 62 5.154 13.960 3.296 472 1HB LEU 62 1HB LEU 62 5.241 10.941 3.233 473 2HB LEU 62 2HB LEU 62 5.990 12.003 2.056 474 HG LEU 62 HG LEU 62 6.739 11.876 4.984 475 1HD1 LEU 62 1HD1 LEU 62 7.363 9.834 3.801 476 2HD1 LEU 62 2HD1 LEU 62 8.784 10.794 4.204 477 3HD1 LEU 62 3HD1 LEU 62 8.163 10.790 2.556 478 1HD2 LEU 62 1HD2 LEU 62 7.107 14.075 3.995 479 2HD2 LEU 62 2HD2 LEU 62 8.000 13.339 2.664 480 3HD2 LEU 62 3HD2 LEU 62 8.640 13.263 4.306 481 H ARG 63 H ARG 63 4.628 13.386 0.933 482 HA ARG 63 HA ARG 63 1.768 12.692 0.688 483 1HB ARG 63 1HB ARG 63 2.099 15.042 0.176 484 2HB ARG 63 2HB ARG 63 3.422 14.656 -0.916 485 1HG ARG 63 1HG ARG 63 1.747 13.361 -2.292 486 2HG ARG 63 2HG ARG 63 0.495 14.088 -1.288 487 1HD ARG 63 1HD ARG 63 1.150 16.300 -1.989 488 2HD ARG 63 2HD ARG 63 2.531 15.650 -2.872 489 HE ARG 63 HE ARG 63 -0.006 14.582 -3.731 490 1HH1 ARG 63 1HH1 ARG 63 2.296 17.193 -4.131 491 2HH1 ARG 63 2HH1 ARG 63 1.796 17.566 -5.749 492 1HH2 ARG 63 1HH2 ARG 63 -0.677 15.073 -5.868 493 2HH2 ARG 63 2HH2 ARG 63 0.076 16.388 -6.718 494 H TYR 64 H TYR 64 1.298 11.017 -0.611 495 HA TYR 64 HA TYR 64 3.438 9.964 -2.310 496 1HB TYR 64 1HB TYR 64 2.314 7.861 -2.326 497 2HB TYR 64 2HB TYR 64 2.287 8.427 -0.663 498 HD1 TYR 64 HD1 TYR 64 0.100 9.585 0.127 499 HD2 TYR 64 HD2 TYR 64 0.350 7.176 -3.369 500 HE1 TYR 64 HE1 TYR 64 -2.336 9.265 0.183 501 HE2 TYR 64 HE2 TYR 64 -2.087 6.852 -3.325 502 HH TYR 64 HH TYR 64 -3.929 6.947 -1.749 503 H GLN 65 H GLN 65 3.441 10.573 -4.345 504 HA GLN 65 HA GLN 65 0.885 11.195 -5.647 505 1HB GLN 65 1HB GLN 65 2.958 12.726 -5.751 506 2HB GLN 65 2HB GLN 65 3.629 11.534 -6.854 507 1HG GLN 65 1HG GLN 65 0.970 12.830 -7.346 508 2HG GLN 65 2HG GLN 65 2.481 13.574 -7.854 509 1HE2 GLN 65 1HE2 GLN 65 3.775 11.071 -8.525 510 2HE2 GLN 65 2HE2 GLN 65 3.032 10.512 -9.982 511 H ILE 66 H ILE 66 -0.081 9.480 -6.500 512 HA ILE 66 HA ILE 66 1.590 7.375 -7.682 513 HB ILE 66 HB ILE 66 0.222 6.459 -5.952 514 1HG1 ILE 66 1HG1 ILE 66 -1.029 5.812 -8.632 515 2HG1 ILE 66 2HG1 ILE 66 0.454 5.107 -7.998 516 1HG2 ILE 66 1HG2 ILE 66 -2.155 7.710 -7.317 517 2HG2 ILE 66 2HG2 ILE 66 -1.441 8.216 -5.785 518 3HG2 ILE 66 3HG2 ILE 66 -2.215 6.636 -5.919 519 1HD1 ILE 66 1HD1 ILE 66 -1.417 3.591 -7.739 520 2HD1 ILE 66 2HD1 ILE 66 -2.295 4.806 -6.809 521 3HD1 ILE 66 3HD1 ILE 66 -0.808 4.105 -6.165 522 H ASP 67 H ASP 67 1.794 7.494 -9.775 523 HA ASP 67 HA ASP 67 -0.539 8.250 -11.402 524 1HB ASP 67 1HB ASP 67 1.081 10.164 -11.150 525 2HB ASP 67 2HB ASP 67 2.292 9.172 -11.952 526 H GLY 68 H GLY 68 -0.997 6.293 -12.249 527 1HA GLY 68 1HA GLY 68 -0.778 4.400 -13.527 528 2HA GLY 68 2HA GLY 68 0.652 5.146 -14.225 529 H ASN 69 H ASN 69 2.581 4.317 -13.759 530 HA ASN 69 HA ASN 69 2.733 2.295 -11.614 531 1HB ASN 69 1HB ASN 69 4.531 1.239 -12.858 532 2HB ASN 69 2HB ASN 69 3.136 1.430 -13.915 533 1HD2 ASN 69 1HD2 ASN 69 6.426 2.256 -13.357 534 2HD2 ASN 69 2HD2 ASN 69 6.653 3.176 -14.807 535 H THR 70 H THR 70 3.257 5.361 -11.966 536 HA THR 70 HA THR 70 5.993 5.429 -10.904 537 HB THR 70 HB THR 70 4.364 7.772 -11.893 538 HG1 THR 70 HG1 THR 70 4.551 6.674 -13.736 539 1HG2 THR 70 1HG2 THR 70 6.297 8.347 -10.522 540 2HG2 THR 70 2HG2 THR 70 6.578 8.805 -12.203 541 3HG2 THR 70 3HG2 THR 70 7.337 7.352 -11.543 542 H VAL 71 H VAL 71 6.197 5.688 -8.772 543 HA VAL 71 HA VAL 71 4.051 7.094 -7.318 544 HB VAL 71 HB VAL 71 5.924 4.991 -6.211 545 1HG1 VAL 71 1HG1 VAL 71 4.476 5.061 -4.236 546 2HG1 VAL 71 2HG1 VAL 71 3.542 6.364 -4.970 547 3HG1 VAL 71 3HG1 VAL 71 5.233 6.623 -4.544 548 1HG2 VAL 71 1HG2 VAL 71 2.989 4.758 -6.872 549 2HG2 VAL 71 2HG2 VAL 71 3.992 3.512 -6.128 550 3HG2 VAL 71 3HG2 VAL 71 4.309 4.027 -7.785 551 H THR 72 H THR 72 4.648 8.968 -6.441 552 HA THR 72 HA THR 72 7.536 9.494 -6.150 553 HB THR 72 HB THR 72 5.413 11.597 -6.584 554 HG1 THR 72 HG1 THR 72 6.501 9.802 -8.362 555 1HG2 THR 72 1HG2 THR 72 8.400 11.587 -7.038 556 2HG2 THR 72 2HG2 THR 72 7.566 12.365 -5.691 557 3HG2 THR 72 3HG2 THR 72 7.311 12.942 -7.338 558 H VAL 73 H VAL 73 8.242 9.942 -4.162 559 HA VAL 73 HA VAL 73 6.274 10.461 -2.048 560 HB VAL 73 HB VAL 73 9.212 9.790 -1.779 561 1HG1 VAL 73 1HG1 VAL 73 6.997 9.848 0.267 562 2HG1 VAL 73 2HG1 VAL 73 8.327 10.997 0.136 563 3HG1 VAL 73 3HG1 VAL 73 8.653 9.318 0.561 564 1HG2 VAL 73 1HG2 VAL 73 8.452 7.542 -1.134 565 2HG2 VAL 73 2HG2 VAL 73 8.017 7.935 -2.797 566 3HG2 VAL 73 3HG2 VAL 73 6.795 8.000 -1.526 567 H THR 74 H THR 74 5.862 12.563 -1.846 568 HA THR 74 HA THR 74 8.078 14.487 -2.137 569 HB THR 74 HB THR 74 5.104 14.983 -2.432 570 HG1 THR 74 HG1 THR 74 7.108 14.668 -4.445 571 1HG2 THR 74 1HG2 THR 74 7.476 16.691 -3.193 572 2HG2 THR 74 2HG2 THR 74 6.420 16.967 -1.809 573 3HG2 THR 74 3HG2 THR 74 5.780 17.094 -3.447 574 H ALA 75 H ALA 75 8.449 15.965 -0.476 575 HA ALA 75 HA ALA 75 7.255 15.374 2.065 576 1HB ALA 75 1HB ALA 75 9.203 17.543 1.303 577 2HB ALA 75 2HB ALA 75 9.625 15.938 1.903 578 3HB ALA 75 3HB ALA 75 8.769 17.075 2.947 579 H SER 76 H SER 76 5.505 16.314 2.919 580 HA SER 76 HA SER 76 4.179 18.426 1.475 581 1HB SER 76 1HB SER 76 3.417 17.069 4.071 582 2HB SER 76 2HB SER 76 2.370 18.100 3.090 583 HG SER 76 HG SER 76 2.469 15.583 2.880 584 H ALA 77 H ALA 77 4.376 20.521 1.867 585 HA ALA 77 HA ALA 77 5.885 21.395 4.199 586 1HB ALA 77 1HB ALA 77 4.903 22.988 1.835 587 2HB ALA 77 2HB ALA 77 6.497 22.248 1.977 588 3HB ALA 77 3HB ALA 77 6.024 23.541 3.078 589 H ALA 78 H ALA 78 5.149 22.851 5.707 590 HA ALA 78 HA ALA 78 2.234 23.178 5.853 591 1HB ALA 78 1HB ALA 78 3.285 22.132 7.792 592 2HB ALA 78 2HB ALA 78 2.589 23.696 8.217 593 3HB ALA 78 3HB ALA 78 4.332 23.537 7.992 594 H ALA 79 H ALA 79 1.404 25.263 6.616 595 HA ALA 79 HA ALA 79 1.084 27.487 6.225 596 1HB ALA 79 1HB ALA 79 4.050 27.672 6.750 597 2HB ALA 79 2HB ALA 79 2.793 27.668 7.986 598 3HB ALA 79 3HB ALA 79 2.893 28.998 6.832 599 H LYS 80 H LYS 80 1.400 25.909 3.966 600 HA LYS 80 HA LYS 80 3.185 27.301 2.131 601 1HB LYS 80 1HB LYS 80 2.496 25.577 0.510 602 2HB LYS 80 2HB LYS 80 3.097 24.864 2.001 603 1HG LYS 80 1HG LYS 80 0.955 24.225 2.694 604 2HG LYS 80 2HG LYS 80 0.169 25.296 1.535 605 1HD LYS 80 1HD LYS 80 1.060 23.907 -0.302 606 2HD LYS 80 2HD LYS 80 1.745 22.804 0.894 607 1HE LYS 80 1HE LYS 80 -0.394 22.164 1.667 608 2HE LYS 80 2HE LYS 80 -1.182 23.494 0.820 609 1HZ LYS 80 1HZ LYS 80 -1.523 21.405 -0.325 610 2HZ LYS 80 2HZ LYS 80 0.149 21.166 -0.461 611 3HZ LYS 80 3HZ LYS 80 -0.594 22.453 -1.282 612 H ASP 81 H ASP 81 -0.018 27.440 3.173 613 HA ASP 81 HA ASP 81 -0.767 29.180 0.939 614 1HB ASP 81 1HB ASP 81 -1.606 26.908 0.399 615 2HB ASP 81 2HB ASP 81 -2.482 26.886 1.926 616 H GLY 82 H GLY 82 -1.320 27.960 4.166 617 1HA GLY 82 1HA GLY 82 -1.597 30.376 5.409 618 2HA GLY 82 2HA GLY 82 -3.229 29.963 4.893 Start of MODEL 19 1 1H SER 1 1H SER 1 -9.836 -1.892 -8.486 2 2H SER 1 2H SER 1 -10.156 -3.512 -8.102 3 3H SER 1 3H SER 1 -9.025 -3.132 -9.306 4 HA SER 1 HA SER 1 -7.518 -2.224 -7.762 5 1HB SER 1 1HB SER 1 -9.659 -2.762 -5.683 6 2HB SER 1 2HB SER 1 -8.051 -2.110 -5.366 7 HG SER 1 HG SER 1 -8.726 -0.205 -5.947 8 H GLN 2 H GLN 2 -6.394 -4.030 -8.450 9 HA GLN 2 HA GLN 2 -6.977 -6.639 -7.391 10 1HB GLN 2 1HB GLN 2 -4.641 -5.580 -8.991 11 2HB GLN 2 2HB GLN 2 -4.772 -7.252 -8.463 12 1HG GLN 2 1HG GLN 2 -5.485 -7.178 -10.713 13 2HG GLN 2 2HG GLN 2 -6.926 -7.391 -9.725 14 1HE2 GLN 2 1HE2 GLN 2 -5.106 -5.185 -11.695 15 2HE2 GLN 2 2HE2 GLN 2 -6.379 -4.044 -11.960 16 H GLU 3 H GLU 3 -5.740 -7.783 -5.861 17 HA GLU 3 HA GLU 3 -4.276 -5.976 -4.059 18 1HB GLU 3 1HB GLU 3 -5.768 -8.519 -3.408 19 2HB GLU 3 2HB GLU 3 -4.882 -7.536 -2.250 20 1HG GLU 3 1HG GLU 3 -6.413 -5.654 -2.764 21 2HG GLU 3 2HG GLU 3 -7.347 -6.754 -3.781 22 H TRP 4 H TRP 4 -2.527 -6.853 -2.872 23 HA TRP 4 HA TRP 4 -1.361 -9.331 -3.896 24 1HB TRP 4 1HB TRP 4 0.065 -6.666 -3.694 25 2HB TRP 4 2HB TRP 4 0.912 -8.204 -3.821 26 HD1 TRP 4 HD1 TRP 4 0.593 -9.573 -6.168 27 HE1 TRP 4 HE1 TRP 4 0.127 -8.715 -8.549 28 HE3 TRP 4 HE3 TRP 4 -1.089 -4.882 -5.016 29 HZ2 TRP 4 HZ2 TRP 4 -0.814 -6.350 -9.774 30 HZ3 TRP 4 HZ3 TRP 4 -1.747 -3.385 -6.855 31 HH2 TRP 4 HH2 TRP 4 -1.612 -4.103 -9.184 32 H THR 5 H THR 5 0.146 -10.301 -2.393 33 HA THR 5 HA THR 5 -0.462 -9.519 0.366 34 HB THR 5 HB THR 5 1.035 -12.000 -0.486 35 HG1 THR 5 HG1 THR 5 -0.931 -12.136 -1.535 36 1HG2 THR 5 1HG2 THR 5 0.208 -12.873 1.647 37 2HG2 THR 5 2HG2 THR 5 -0.637 -11.354 1.949 38 3HG2 THR 5 3HG2 THR 5 1.126 -11.386 1.894 39 H LEU 6 H LEU 6 0.879 -7.943 0.946 40 HA LEU 6 HA LEU 6 3.572 -7.878 -0.179 41 1HB LEU 6 1HB LEU 6 2.021 -5.747 1.294 42 2HB LEU 6 2HB LEU 6 3.572 -5.528 0.504 43 HG LEU 6 HG LEU 6 1.019 -6.275 -0.927 44 1HD1 LEU 6 1HD1 LEU 6 0.856 -4.033 -0.012 45 2HD1 LEU 6 2HD1 LEU 6 1.051 -3.969 -1.764 46 3HD1 LEU 6 3HD1 LEU 6 2.420 -3.613 -0.709 47 1HD2 LEU 6 1HD2 LEU 6 2.295 -5.743 -2.945 48 2HD2 LEU 6 2HD2 LEU 6 3.044 -7.059 -2.042 49 3HD2 LEU 6 3HD2 LEU 6 3.725 -5.433 -1.962 50 H ASP 7 H ASP 7 5.176 -8.624 0.981 51 HA ASP 7 HA ASP 7 4.984 -8.638 3.899 52 1HB ASP 7 1HB ASP 7 5.787 -10.666 2.590 53 2HB ASP 7 2HB ASP 7 7.227 -9.732 2.192 54 H ILE 8 H ILE 8 5.375 -6.603 4.607 55 HA ILE 8 HA ILE 8 7.641 -5.139 3.449 56 HB ILE 8 HB ILE 8 5.273 -4.106 5.025 57 1HG1 ILE 8 1HG1 ILE 8 4.665 -4.837 2.772 58 2HG1 ILE 8 2HG1 ILE 8 4.590 -3.084 2.893 59 1HG2 ILE 8 1HG2 ILE 8 7.270 -2.759 5.419 60 2HG2 ILE 8 2HG2 ILE 8 6.084 -1.873 4.464 61 3HG2 ILE 8 3HG2 ILE 8 7.498 -2.577 3.679 62 1HD1 ILE 8 1HD1 ILE 8 5.564 -3.731 0.791 63 2HD1 ILE 8 2HD1 ILE 8 6.783 -4.700 1.618 64 3HD1 ILE 8 3HD1 ILE 8 6.786 -2.945 1.793 65 HA PRO 9 HA PRO 9 9.835 -5.780 7.298 66 1HB PRO 9 1HB PRO 9 11.568 -3.645 6.219 67 2HB PRO 9 2HB PRO 9 11.977 -5.302 6.680 68 1HG PRO 9 1HG PRO 9 11.894 -4.557 4.117 69 2HG PRO 9 2HG PRO 9 11.347 -6.166 4.629 70 1HD PRO 9 1HD PRO 9 9.726 -3.735 3.961 71 2HD PRO 9 2HD PRO 9 9.448 -5.431 3.511 72 H ALA 10 H ALA 10 10.299 -4.621 9.178 73 HA ALA 10 HA ALA 10 8.883 -2.042 9.407 74 1HB ALA 10 1HB ALA 10 8.000 -3.810 10.836 75 2HB ALA 10 2HB ALA 10 8.739 -2.536 11.808 76 3HB ALA 10 3HB ALA 10 9.598 -4.054 11.544 77 H GLN 11 H GLN 11 11.503 -2.360 8.341 78 HA GLN 11 HA GLN 11 13.275 -1.309 10.426 79 1HB GLN 11 1HB GLN 11 13.903 -2.343 7.649 80 2HB GLN 11 2HB GLN 11 15.090 -1.825 8.837 81 1HG GLN 11 1HG GLN 11 14.575 -3.659 10.267 82 2HG GLN 11 2HG GLN 11 13.175 -4.099 9.294 83 1HE2 GLN 11 1HE2 GLN 11 14.610 -3.622 6.782 84 2HE2 GLN 11 2HE2 GLN 11 15.653 -4.988 6.576 85 H SER 12 H SER 12 15.074 0.035 8.778 86 HA SER 12 HA SER 12 13.944 2.550 8.374 87 1HB SER 12 1HB SER 12 16.351 1.385 6.944 88 2HB SER 12 2HB SER 12 16.005 3.096 7.206 89 HG SER 12 HG SER 12 16.022 2.452 9.553 90 H MET 13 H MET 13 13.112 3.584 6.643 91 HA MET 13 HA MET 13 11.451 2.359 4.865 92 1HB MET 13 1HB MET 13 12.760 5.032 4.917 93 2HB MET 13 2HB MET 13 11.913 4.560 3.452 94 1HG MET 13 1HG MET 13 9.865 4.289 4.643 95 2HG MET 13 2HG MET 13 10.675 4.527 6.190 96 1HE MET 13 1HE MET 13 8.353 7.698 5.661 97 2HE MET 13 2HE MET 13 8.610 6.236 6.613 98 3HE MET 13 3HE MET 13 8.022 6.118 4.957 99 H ASN 14 H ASN 14 14.874 2.799 4.472 100 HA ASN 14 HA ASN 14 15.206 2.572 1.745 101 1HB ASN 14 1HB ASN 14 16.903 1.391 3.951 102 2HB ASN 14 2HB ASN 14 17.397 1.480 2.266 103 1HD2 ASN 14 1HD2 ASN 14 19.152 2.764 2.698 104 2HD2 ASN 14 2HD2 ASN 14 19.005 4.424 3.161 105 H SER 15 H SER 15 14.775 -0.046 4.125 106 HA SER 15 HA SER 15 15.064 -2.084 2.109 107 1HB SER 15 1HB SER 15 14.046 -2.415 4.945 108 2HB SER 15 2HB SER 15 14.752 -3.651 3.899 109 HG SER 15 HG SER 15 16.726 -2.414 3.961 110 H ALA 16 H ALA 16 12.452 -0.648 4.002 111 HA ALA 16 HA ALA 16 10.395 -2.380 3.252 112 1HB ALA 16 1HB ALA 16 10.235 -0.793 5.111 113 2HB ALA 16 2HB ALA 16 8.872 -0.641 4.002 114 3HB ALA 16 3HB ALA 16 10.180 0.543 3.962 115 H LEU 17 H LEU 17 11.381 0.720 1.780 116 HA LEU 17 HA LEU 17 9.335 0.684 -0.186 117 1HB LEU 17 1HB LEU 17 11.969 2.158 -0.148 118 2HB LEU 17 2HB LEU 17 10.668 2.462 -1.285 119 HG LEU 17 HG LEU 17 10.482 2.829 1.707 120 1HD1 LEU 17 1HD1 LEU 17 11.929 4.491 0.716 121 2HD1 LEU 17 2HD1 LEU 17 10.388 5.222 1.173 122 3HD1 LEU 17 3HD1 LEU 17 10.718 4.844 -0.518 123 1HD2 LEU 17 1HD2 LEU 17 8.342 2.215 0.721 124 2HD2 LEU 17 2HD2 LEU 17 8.521 3.483 -0.490 125 3HD2 LEU 17 3HD2 LEU 17 8.339 3.908 1.211 126 H GLN 18 H GLN 18 12.689 -0.397 -0.174 127 HA GLN 18 HA GLN 18 12.874 -1.152 -2.863 128 1HB GLN 18 1HB GLN 18 14.870 -1.066 -1.583 129 2HB GLN 18 2HB GLN 18 14.230 -2.158 -0.365 130 1HG GLN 18 1HG GLN 18 14.275 -3.982 -2.019 131 2HG GLN 18 2HG GLN 18 14.991 -2.875 -3.190 132 1HE2 GLN 18 1HE2 GLN 18 15.992 -5.362 -1.964 133 2HE2 GLN 18 2HE2 GLN 18 17.525 -4.939 -1.274 134 H ALA 19 H ALA 19 11.750 -2.926 -0.024 135 HA ALA 19 HA ALA 19 11.296 -5.382 -1.349 136 1HB ALA 19 1HB ALA 19 10.035 -6.011 0.625 137 2HB ALA 19 2HB ALA 19 9.975 -4.329 1.149 138 3HB ALA 19 3HB ALA 19 11.519 -5.181 1.091 139 H LEU 20 H LEU 20 9.267 -2.550 -0.762 140 HA LEU 20 HA LEU 20 6.813 -3.755 -1.531 141 1HB LEU 20 1HB LEU 20 6.925 -1.741 -0.138 142 2HB LEU 20 2HB LEU 20 7.641 -0.850 -1.466 143 HG LEU 20 HG LEU 20 5.557 -1.134 -2.764 144 1HD1 LEU 20 1HD1 LEU 20 4.756 -3.198 -1.765 145 2HD1 LEU 20 2HD1 LEU 20 3.537 -1.930 -1.616 146 3HD1 LEU 20 3HD1 LEU 20 4.517 -2.381 -0.222 147 1HD2 LEU 20 1HD2 LEU 20 5.193 0.088 -0.028 148 2HD2 LEU 20 2HD2 LEU 20 4.215 0.436 -1.454 149 3HD2 LEU 20 3HD2 LEU 20 5.921 0.876 -1.427 150 H ALA 21 H ALA 21 9.337 -2.027 -3.233 151 HA ALA 21 HA ALA 21 7.867 -1.399 -5.574 152 1HB ALA 21 1HB ALA 21 9.922 -0.225 -4.944 153 2HB ALA 21 2HB ALA 21 10.026 -0.893 -6.573 154 3HB ALA 21 3HB ALA 21 10.848 -1.696 -5.233 155 H LYS 22 H LYS 22 10.268 -3.922 -4.889 156 HA LYS 22 HA LYS 22 10.074 -5.147 -7.425 157 1HB LYS 22 1HB LYS 22 11.110 -6.276 -4.821 158 2HB LYS 22 2HB LYS 22 11.372 -6.983 -6.411 159 1HG LYS 22 1HG LYS 22 12.575 -4.955 -7.097 160 2HG LYS 22 2HG LYS 22 12.337 -4.282 -5.484 161 1HD LYS 22 1HD LYS 22 13.580 -6.213 -4.546 162 2HD LYS 22 2HD LYS 22 13.895 -6.769 -6.192 163 1HE LYS 22 1HE LYS 22 15.054 -4.658 -6.668 164 2HE LYS 22 2HE LYS 22 14.759 -4.128 -5.014 165 1HZ LYS 22 1HZ LYS 22 16.407 -6.456 -5.849 166 2HZ LYS 22 2HZ LYS 22 16.063 -6.041 -4.242 167 3HZ LYS 22 3HZ LYS 22 16.976 -4.989 -5.210 168 H GLN 23 H GLN 23 8.101 -5.413 -4.612 169 HA GLN 23 HA GLN 23 7.053 -8.016 -5.281 170 1HB GLN 23 1HB GLN 23 6.289 -5.959 -3.222 171 2HB GLN 23 2HB GLN 23 5.318 -7.398 -3.496 172 1HG GLN 23 1HG GLN 23 7.232 -8.802 -2.944 173 2HG GLN 23 2HG GLN 23 8.216 -7.365 -2.683 174 1HE2 GLN 23 1HE2 GLN 23 7.840 -6.087 -0.871 175 2HE2 GLN 23 2HE2 GLN 23 6.950 -6.674 0.492 176 H THR 24 H THR 24 6.290 -4.733 -6.098 177 HA THR 24 HA THR 24 3.741 -5.666 -7.251 178 HB THR 24 HB THR 24 3.074 -3.207 -7.137 179 HG1 THR 24 HG1 THR 24 5.103 -3.081 -5.141 180 1HG2 THR 24 1HG2 THR 24 2.152 -4.903 -5.629 181 2HG2 THR 24 2HG2 THR 24 2.381 -3.366 -4.795 182 3HG2 THR 24 3HG2 THR 24 3.525 -4.687 -4.542 183 H ASP 25 H ASP 25 6.755 -5.018 -8.141 184 HA ASP 25 HA ASP 25 7.834 -4.380 -10.037 185 1HB ASP 25 1HB ASP 25 5.095 -4.925 -11.170 186 2HB ASP 25 2HB ASP 25 6.451 -4.445 -12.182 187 H THR 26 H THR 26 6.818 -2.322 -8.356 188 HA THR 26 HA THR 26 5.964 -0.259 -10.265 189 HB THR 26 HB THR 26 5.387 1.057 -8.195 190 HG1 THR 26 HG1 THR 26 5.283 -1.261 -6.669 191 1HG2 THR 26 1HG2 THR 26 3.662 -0.110 -9.447 192 2HG2 THR 26 2HG2 THR 26 3.332 -0.220 -7.717 193 3HG2 THR 26 3HG2 THR 26 4.011 -1.605 -8.574 194 H GLN 27 H GLN 27 6.868 1.910 -9.966 195 HA GLN 27 HA GLN 27 9.677 1.799 -9.117 196 1HB GLN 27 1HB GLN 27 9.290 2.457 -11.464 197 2HB GLN 27 2HB GLN 27 8.279 3.786 -10.920 198 1HG GLN 27 1HG GLN 27 10.335 4.758 -11.429 199 2HG GLN 27 2HG GLN 27 10.315 4.634 -9.673 200 1HE2 GLN 27 1HE2 GLN 27 10.870 1.740 -9.737 201 2HE2 GLN 27 2HE2 GLN 27 12.548 1.600 -10.134 202 H LEU 28 H LEU 28 10.089 2.649 -7.201 203 HA LEU 28 HA LEU 28 8.224 4.664 -6.144 204 1HB LEU 28 1HB LEU 28 10.164 2.885 -4.656 205 2HB LEU 28 2HB LEU 28 9.064 4.034 -3.920 206 HG LEU 28 HG LEU 28 8.303 1.515 -5.403 207 1HD1 LEU 28 1HD1 LEU 28 9.163 1.128 -3.162 208 2HD1 LEU 28 2HD1 LEU 28 7.429 0.813 -3.229 209 3HD1 LEU 28 3HD1 LEU 28 8.029 2.306 -2.507 210 1HD2 LEU 28 1HD2 LEU 28 6.000 2.050 -4.831 211 2HD2 LEU 28 2HD2 LEU 28 6.699 3.315 -5.844 212 3HD2 LEU 28 3HD2 LEU 28 6.517 3.576 -4.107 213 H LEU 29 H LEU 29 8.927 6.662 -6.259 214 HA LEU 29 HA LEU 29 11.824 7.130 -6.412 215 1HB LEU 29 1HB LEU 29 10.468 7.900 -8.330 216 2HB LEU 29 2HB LEU 29 9.533 8.915 -7.247 217 HG LEU 29 HG LEU 29 11.543 10.239 -6.744 218 1HD1 LEU 29 1HD1 LEU 29 13.576 9.918 -8.074 219 2HD1 LEU 29 2HD1 LEU 29 12.877 8.462 -8.784 220 3HD1 LEU 29 3HD1 LEU 29 13.231 8.518 -7.058 221 1HD2 LEU 29 1HD2 LEU 29 11.748 11.326 -8.925 222 2HD2 LEU 29 2HD2 LEU 29 10.069 10.934 -8.556 223 3HD2 LEU 29 3HD2 LEU 29 10.979 9.936 -9.691 224 H TYR 30 H TYR 30 12.721 7.795 -4.628 225 HA TYR 30 HA TYR 30 11.270 9.603 -2.843 226 1HB TYR 30 1HB TYR 30 12.204 8.295 -0.890 227 2HB TYR 30 2HB TYR 30 10.948 7.464 -1.801 228 HD1 TYR 30 HD1 TYR 30 11.363 5.375 -2.808 229 HD2 TYR 30 HD2 TYR 30 14.624 7.648 -1.286 230 HE1 TYR 30 HE1 TYR 30 12.855 3.449 -3.142 231 HE2 TYR 30 HE2 TYR 30 16.122 5.726 -1.614 232 HH TYR 30 HH TYR 30 16.215 3.508 -2.042 233 H SER 31 H SER 31 12.863 10.481 -1.146 234 HA SER 31 HA SER 31 15.552 10.712 -2.302 235 1HB SER 31 1HB SER 31 13.947 13.013 -1.156 236 2HB SER 31 2HB SER 31 15.576 13.106 -1.827 237 HG SER 31 HG SER 31 14.053 11.953 -3.652 238 HA PRO 32 HA PRO 32 16.916 9.250 1.589 239 1HB PRO 32 1HB PRO 32 19.189 10.903 1.804 240 2HB PRO 32 2HB PRO 32 19.120 9.283 1.110 241 1HG PRO 32 1HG PRO 32 19.076 11.927 -0.245 242 2HG PRO 32 2HG PRO 32 19.751 10.385 -0.802 243 1HD PRO 32 1HD PRO 32 17.458 11.365 -1.798 244 2HD PRO 32 2HD PRO 32 17.691 9.620 -1.555 245 H GLU 33 H GLU 33 17.400 12.766 1.264 246 HA GLU 33 HA GLU 33 17.121 13.239 4.050 247 1HB GLU 33 1HB GLU 33 17.087 15.653 3.396 248 2HB GLU 33 2HB GLU 33 18.486 14.753 2.836 249 1HG GLU 33 1HG GLU 33 16.093 15.326 1.109 250 2HG GLU 33 2HG GLU 33 17.500 16.383 1.204 251 H ASP 34 H ASP 34 14.795 12.508 1.771 252 HA ASP 34 HA ASP 34 12.761 14.265 2.939 253 1HB ASP 34 1HB ASP 34 12.862 12.597 0.436 254 2HB ASP 34 2HB ASP 34 11.322 13.133 1.095 255 H ILE 35 H ILE 35 14.070 11.229 3.337 256 HA ILE 35 HA ILE 35 11.601 10.275 4.630 257 HB ILE 35 HB ILE 35 12.495 7.948 4.357 258 1HG1 ILE 35 1HG1 ILE 35 14.348 9.268 2.363 259 2HG1 ILE 35 2HG1 ILE 35 14.841 8.561 3.898 260 1HG2 ILE 35 1HG2 ILE 35 11.846 9.465 1.837 261 2HG2 ILE 35 2HG2 ILE 35 10.690 8.771 2.976 262 3HG2 ILE 35 3HG2 ILE 35 11.745 7.714 2.040 263 1HD1 ILE 35 1HD1 ILE 35 14.112 6.371 3.124 264 2HD1 ILE 35 2HD1 ILE 35 15.312 7.073 2.038 265 3HD1 ILE 35 3HD1 ILE 35 13.604 7.078 1.591 266 H GLY 36 H GLY 36 15.058 10.713 4.848 267 1HA GLY 36 1HA GLY 36 16.334 11.060 6.732 268 2HA GLY 36 2HA GLY 36 14.886 10.862 7.703 269 H GLY 37 H GLY 37 14.991 8.211 5.793 270 1HA GLY 37 1HA GLY 37 15.618 6.024 6.103 271 2HA GLY 37 2HA GLY 37 16.998 6.624 7.011 272 H LEU 38 H LEU 38 13.543 7.041 7.696 273 HA LEU 38 HA LEU 38 14.044 6.069 10.392 274 1HB LEU 38 1HB LEU 38 11.806 6.974 10.903 275 2HB LEU 38 2HB LEU 38 12.895 8.177 10.248 276 HG LEU 38 HG LEU 38 11.700 7.619 7.980 277 1HD1 LEU 38 1HD1 LEU 38 9.308 7.093 8.344 278 2HD1 LEU 38 2HD1 LEU 38 9.687 6.695 10.020 279 3HD1 LEU 38 3HD1 LEU 38 10.389 5.747 8.707 280 1HD2 LEU 38 1HD2 LEU 38 10.037 9.359 8.463 281 2HD2 LEU 38 2HD2 LEU 38 11.639 9.783 9.063 282 3HD2 LEU 38 3HD2 LEU 38 10.402 9.215 10.183 283 H ARG 39 H ARG 39 12.404 4.639 11.403 284 HA ARG 39 HA ARG 39 11.986 2.341 9.743 285 1HB ARG 39 1HB ARG 39 10.981 1.343 11.795 286 2HB ARG 39 2HB ARG 39 12.608 1.954 12.030 287 1HG ARG 39 1HG ARG 39 11.643 4.004 13.032 288 2HG ARG 39 2HG ARG 39 10.044 3.275 12.882 289 1HD ARG 39 1HD ARG 39 10.899 2.977 15.133 290 2HD ARG 39 2HD ARG 39 10.766 1.421 14.316 291 HE ARG 39 HE ARG 39 13.153 1.392 14.089 292 1HH1 ARG 39 1HH1 ARG 39 11.913 3.955 16.132 293 2HH1 ARG 39 2HH1 ARG 39 13.409 4.153 17.002 294 1HH2 ARG 39 1HH2 ARG 39 15.130 1.664 15.229 295 2HH2 ARG 39 2HH2 ARG 39 15.222 2.861 16.490 296 H SER 40 H SER 40 10.305 1.924 8.546 297 HA SER 40 HA SER 40 8.100 3.786 8.558 298 1HB SER 40 1HB SER 40 7.445 2.341 6.513 299 2HB SER 40 2HB SER 40 8.910 3.319 6.405 300 HG SER 40 HG SER 40 9.005 0.640 7.298 301 H SER 41 H SER 41 5.866 2.960 8.238 302 HA SER 41 HA SER 41 5.245 1.027 10.301 303 1HB SER 41 1HB SER 41 3.314 2.536 8.519 304 2HB SER 41 2HB SER 41 2.972 1.789 10.079 305 HG SER 41 HG SER 41 4.798 3.383 10.744 306 H ALA 42 H ALA 42 5.704 -0.978 9.561 307 HA ALA 42 HA ALA 42 5.660 -1.824 6.921 308 1HB ALA 42 1HB ALA 42 5.361 -3.507 9.400 309 2HB ALA 42 2HB ALA 42 6.887 -2.964 8.703 310 3HB ALA 42 3HB ALA 42 5.853 -4.079 7.808 311 H LEU 43 H LEU 43 4.085 -2.332 5.571 312 HA LEU 43 HA LEU 43 1.420 -2.928 6.642 313 1HB LEU 43 1HB LEU 43 1.936 -1.109 4.834 314 2HB LEU 43 2HB LEU 43 2.041 -2.468 3.738 315 HG LEU 43 HG LEU 43 -0.169 -1.287 3.745 316 1HD1 LEU 43 1HD1 LEU 43 0.027 -3.575 2.930 317 2HD1 LEU 43 2HD1 LEU 43 -1.521 -3.311 3.734 318 3HD1 LEU 43 3HD1 LEU 43 -0.231 -4.185 4.563 319 1HD2 LEU 43 1HD2 LEU 43 -0.319 -0.775 6.106 320 2HD2 LEU 43 2HD2 LEU 43 -0.371 -2.491 6.499 321 3HD2 LEU 43 3HD2 LEU 43 -1.701 -1.750 5.611 322 H LYS 44 H LYS 44 1.870 -5.007 7.265 323 HA LYS 44 HA LYS 44 2.888 -6.911 5.279 324 1HB LYS 44 1HB LYS 44 3.941 -6.675 7.556 325 2HB LYS 44 2HB LYS 44 2.441 -7.266 8.249 326 1HG LYS 44 1HG LYS 44 2.756 -9.371 6.944 327 2HG LYS 44 2HG LYS 44 4.353 -8.769 6.482 328 1HD LYS 44 1HD LYS 44 4.879 -8.518 8.911 329 2HD LYS 44 2HD LYS 44 3.349 -9.316 9.272 330 1HE LYS 44 1HE LYS 44 5.049 -10.969 9.402 331 2HE LYS 44 2HE LYS 44 4.151 -11.263 7.917 332 1HZ LYS 44 1HZ LYS 44 6.650 -9.676 7.927 333 2HZ LYS 44 2HZ LYS 44 5.891 -10.444 6.615 334 3HZ LYS 44 3HZ LYS 44 6.667 -11.367 7.805 335 H GLY 45 H GLY 45 1.076 -7.377 4.049 336 1HA GLY 45 1HA GLY 45 -0.690 -9.330 4.895 337 2HA GLY 45 2HA GLY 45 -1.504 -7.797 5.176 338 H ARG 46 H ARG 46 -3.058 -8.636 3.616 339 HA ARG 46 HA ARG 46 -2.122 -8.367 0.834 340 1HB ARG 46 1HB ARG 46 -3.016 -10.578 1.113 341 2HB ARG 46 2HB ARG 46 -4.440 -9.961 1.945 342 1HG ARG 46 1HG ARG 46 -5.030 -8.747 -0.163 343 2HG ARG 46 2HG ARG 46 -3.724 -9.621 -0.956 344 1HD ARG 46 1HD ARG 46 -4.801 -11.695 -0.677 345 2HD ARG 46 2HD ARG 46 -5.934 -11.033 0.506 346 HE ARG 46 HE ARG 46 -6.831 -9.671 -1.405 347 1HH1 ARG 46 1HH1 ARG 46 -5.279 -12.776 -1.944 348 2HH1 ARG 46 2HH1 ARG 46 -6.119 -13.061 -3.445 349 1HH2 ARG 46 1HH2 ARG 46 -7.890 -10.033 -3.358 350 2HH2 ARG 46 2HH2 ARG 46 -7.566 -11.473 -4.280 351 H HIS 47 H HIS 47 -2.627 -6.434 0.030 352 HA HIS 47 HA HIS 47 -5.338 -5.451 0.313 353 1HB HIS 47 1HB HIS 47 -2.977 -4.010 1.481 354 2HB HIS 47 2HB HIS 47 -4.372 -3.112 0.898 355 HD1 HIS 47 HD1 HIS 47 -6.731 -3.906 2.046 356 HD2 HIS 47 HD2 HIS 47 -3.210 -4.869 4.041 357 HE1 HIS 47 HE1 HIS 47 -7.409 -4.409 4.419 358 HE2 HIS 47 HE2 HIS 47 -5.243 -4.817 5.638 359 H ASP 48 H ASP 48 -5.689 -3.466 -0.957 360 HA ASP 48 HA ASP 48 -4.638 -3.680 -3.583 361 1HB ASP 48 1HB ASP 48 -6.802 -2.844 -3.551 362 2HB ASP 48 2HB ASP 48 -6.499 -1.824 -2.151 363 H LEU 49 H LEU 49 -3.442 -2.008 -4.754 364 HA LEU 49 HA LEU 49 -1.010 -1.498 -3.474 365 1HB LEU 49 1HB LEU 49 -1.643 -1.695 -5.993 366 2HB LEU 49 2HB LEU 49 -1.915 0.032 -5.890 367 HG LEU 49 HG LEU 49 0.717 -1.244 -5.156 368 1HD1 LEU 49 1HD1 LEU 49 0.247 -1.777 -7.469 369 2HD1 LEU 49 2HD1 LEU 49 1.494 -0.533 -7.381 370 3HD1 LEU 49 3HD1 LEU 49 -0.161 -0.094 -7.803 371 1HD2 LEU 49 1HD2 LEU 49 0.352 0.984 -4.246 372 2HD2 LEU 49 2HD2 LEU 49 -0.049 1.588 -5.856 373 3HD2 LEU 49 3HD2 LEU 49 1.584 1.012 -5.509 374 H GLN 50 H GLN 50 -3.415 0.912 -4.596 375 HA GLN 50 HA GLN 50 -2.166 3.120 -3.395 376 1HB GLN 50 1HB GLN 50 -3.888 3.307 -5.153 377 2HB GLN 50 2HB GLN 50 -5.099 2.731 -4.018 378 1HG GLN 50 1HG GLN 50 -4.680 4.705 -2.607 379 2HG GLN 50 2HG GLN 50 -3.536 5.294 -3.811 380 1HE2 GLN 50 1HE2 GLN 50 -6.873 4.708 -3.060 381 2HE2 GLN 50 2HE2 GLN 50 -7.543 5.627 -4.370 382 H SER 51 H SER 51 -4.559 0.853 -2.195 383 HA SER 51 HA SER 51 -5.275 2.186 0.169 384 1HB SER 51 1HB SER 51 -5.159 -0.802 -0.295 385 2HB SER 51 2HB SER 51 -6.124 0.031 0.924 386 HG SER 51 HG SER 51 -6.385 0.292 -1.905 387 H SER 52 H SER 52 -2.742 -0.274 -0.407 388 HA SER 52 HA SER 52 -1.846 -0.400 2.256 389 1HB SER 52 1HB SER 52 0.215 -1.415 1.306 390 2HB SER 52 2HB SER 52 -1.257 -2.136 0.666 391 HG SER 52 HG SER 52 -0.885 -0.435 -1.087 392 H LEU 53 H LEU 53 -0.936 1.709 -0.417 393 HA LEU 53 HA LEU 53 1.332 2.864 0.778 394 1HB LEU 53 1HB LEU 53 -0.559 3.984 -1.289 395 2HB LEU 53 2HB LEU 53 0.978 4.709 -0.852 396 HG LEU 53 HG LEU 53 0.630 1.975 -2.080 397 1HD1 LEU 53 1HD1 LEU 53 1.589 2.968 -4.077 398 2HD1 LEU 53 2HD1 LEU 53 1.658 4.543 -3.281 399 3HD1 LEU 53 3HD1 LEU 53 0.097 3.796 -3.629 400 1HD2 LEU 53 1HD2 LEU 53 3.103 3.563 -1.419 401 2HD2 LEU 53 2HD2 LEU 53 3.073 2.064 -2.342 402 3HD2 LEU 53 3HD2 LEU 53 2.582 2.065 -0.649 403 H ARG 54 H ARG 54 -2.074 3.873 0.749 404 HA ARG 54 HA ARG 54 -1.620 6.313 2.106 405 1HB ARG 54 1HB ARG 54 -4.107 4.657 1.708 406 2HB ARG 54 2HB ARG 54 -4.116 6.200 2.556 407 1HG ARG 54 1HG ARG 54 -3.170 7.269 0.538 408 2HG ARG 54 2HG ARG 54 -3.294 5.724 -0.299 409 1HD ARG 54 1HD ARG 54 -5.685 5.736 -0.090 410 2HD ARG 54 2HD ARG 54 -5.633 7.173 0.933 411 HE ARG 54 HE ARG 54 -4.379 7.884 -1.415 412 1HH1 ARG 54 1HH1 ARG 54 -7.584 6.820 -0.455 413 2HH1 ARG 54 2HH1 ARG 54 -8.373 7.580 -1.808 414 1HH2 ARG 54 1HH2 ARG 54 -5.400 8.868 -3.184 415 2HH2 ARG 54 2HH2 ARG 54 -7.129 8.764 -3.353 416 H ILE 55 H ILE 55 -2.402 3.062 3.257 417 HA ILE 55 HA ILE 55 -2.756 3.828 5.972 418 HB ILE 55 HB ILE 55 -1.993 1.140 4.813 419 1HG1 ILE 55 1HG1 ILE 55 -4.140 1.982 3.980 420 2HG1 ILE 55 2HG1 ILE 55 -4.374 0.603 5.047 421 1HG2 ILE 55 1HG2 ILE 55 -2.829 0.212 6.930 422 2HG2 ILE 55 2HG2 ILE 55 -3.026 1.848 7.556 423 3HG2 ILE 55 3HG2 ILE 55 -1.417 1.242 7.164 424 1HD1 ILE 55 1HD1 ILE 55 -6.040 2.314 5.451 425 2HD1 ILE 55 2HD1 ILE 55 -4.773 3.496 5.780 426 3HD1 ILE 55 3HD1 ILE 55 -4.998 2.120 6.860 427 H LEU 56 H LEU 56 0.011 2.944 4.010 428 HA LEU 56 HA LEU 56 1.844 2.670 6.179 429 1HB LEU 56 1HB LEU 56 1.979 1.802 3.726 430 2HB LEU 56 2HB LEU 56 2.641 3.384 3.376 431 HG LEU 56 HG LEU 56 3.852 1.529 5.428 432 1HD1 LEU 56 1HD1 LEU 56 5.486 0.933 3.703 433 2HD1 LEU 56 2HD1 LEU 56 4.559 1.848 2.514 434 3HD1 LEU 56 3HD1 LEU 56 3.859 0.415 3.266 435 1HD2 LEU 56 1HD2 LEU 56 5.841 2.902 5.115 436 2HD2 LEU 56 2HD2 LEU 56 4.475 3.894 5.628 437 3HD2 LEU 56 3HD2 LEU 56 4.982 3.898 3.939 438 H LEU 57 H LEU 57 1.138 5.267 3.846 439 HA LEU 57 HA LEU 57 2.899 7.092 5.308 440 1HB LEU 57 1HB LEU 57 1.468 7.414 2.671 441 2HB LEU 57 2HB LEU 57 2.548 8.598 3.375 442 HG LEU 57 HG LEU 57 3.340 5.817 2.506 443 1HD1 LEU 57 1HD1 LEU 57 4.544 6.968 0.710 444 2HD1 LEU 57 2HD1 LEU 57 3.862 8.505 1.241 445 3HD1 LEU 57 3HD1 LEU 57 2.806 7.243 0.605 446 1HD2 LEU 57 1HD2 LEU 57 4.983 8.137 3.497 447 2HD2 LEU 57 2HD2 LEU 57 5.619 6.604 2.902 448 3HD2 LEU 57 3HD2 LEU 57 4.657 6.648 4.380 449 H GLN 58 H GLN 58 0.164 6.159 6.150 450 HA GLN 58 HA GLN 58 -1.778 8.102 6.112 451 1HB GLN 58 1HB GLN 58 -1.925 5.822 7.124 452 2HB GLN 58 2HB GLN 58 -1.010 6.420 8.499 453 1HG GLN 58 1HG GLN 58 -3.278 6.423 9.130 454 2HG GLN 58 2HG GLN 58 -2.824 8.104 8.857 455 1HE2 GLN 58 1HE2 GLN 58 -3.431 5.834 6.266 456 2HE2 GLN 58 2HE2 GLN 58 -4.900 6.566 5.709 457 H GLY 59 H GLY 59 -0.978 10.226 6.195 458 1HA GLY 59 1HA GLY 59 -0.724 12.207 7.337 459 2HA GLY 59 2HA GLY 59 -0.891 11.305 8.835 460 H THR 60 H THR 60 1.562 10.875 6.318 461 HA THR 60 HA THR 60 3.639 11.202 8.315 462 HB THR 60 HB THR 60 5.189 10.628 6.425 463 HG1 THR 60 HG1 THR 60 2.777 10.815 5.031 464 1HG2 THR 60 1HG2 THR 60 2.909 8.718 6.948 465 2HG2 THR 60 2HG2 THR 60 4.371 8.893 7.922 466 3HG2 THR 60 3HG2 THR 60 4.478 8.274 6.272 467 H GLY 61 H GLY 61 1.961 13.418 6.633 468 1HA GLY 61 1HA GLY 61 2.329 15.626 6.143 469 2HA GLY 61 2HA GLY 61 3.855 15.483 7.002 470 H LEU 62 H LEU 62 3.591 13.232 4.507 471 HA LEU 62 HA LEU 62 5.280 14.908 2.777 472 1HB LEU 62 1HB LEU 62 5.135 11.895 2.922 473 2HB LEU 62 2HB LEU 62 6.232 12.830 1.926 474 HG LEU 62 HG LEU 62 6.237 12.752 4.945 475 1HD1 LEU 62 1HD1 LEU 62 8.153 11.576 2.940 476 2HD1 LEU 62 2HD1 LEU 62 7.017 10.674 3.941 477 3HD1 LEU 62 3HD1 LEU 62 8.344 11.557 4.693 478 1HD2 LEU 62 1HD2 LEU 62 6.946 14.922 4.053 479 2HD2 LEU 62 2HD2 LEU 62 8.132 14.108 3.029 480 3HD2 LEU 62 3HD2 LEU 62 8.289 14.043 4.784 481 H ARG 63 H ARG 63 5.116 14.309 0.405 482 HA ARG 63 HA ARG 63 2.277 13.858 -0.231 483 1HB ARG 63 1HB ARG 63 4.362 15.497 -1.671 484 2HB ARG 63 2HB ARG 63 2.793 15.104 -2.356 485 1HG ARG 63 1HG ARG 63 3.286 16.685 0.152 486 2HG ARG 63 2HG ARG 63 2.787 17.334 -1.411 487 1HD ARG 63 1HD ARG 63 1.231 15.531 0.431 488 2HD ARG 63 2HD ARG 63 0.847 17.187 -0.033 489 HE ARG 63 HE ARG 63 0.973 15.389 -2.271 490 1HH1 ARG 63 1HH1 ARG 63 -1.073 16.696 0.252 491 2HH1 ARG 63 2HH1 ARG 63 -2.552 16.252 -0.548 492 1HH2 ARG 63 1HH2 ARG 63 -0.951 14.781 -3.308 493 2HH2 ARG 63 2HH2 ARG 63 -2.484 15.112 -2.561 494 H TYR 64 H TYR 64 1.846 12.016 -1.245 495 HA TYR 64 HA TYR 64 3.994 10.764 -2.804 496 1HB TYR 64 1HB TYR 64 2.672 8.706 -2.755 497 2HB TYR 64 2HB TYR 64 2.959 9.300 -1.128 498 HD1 TYR 64 HD1 TYR 64 1.151 9.906 0.296 499 HD2 TYR 64 HD2 TYR 64 0.414 8.935 -3.781 500 HE1 TYR 64 HE1 TYR 64 -1.253 9.789 0.764 501 HE2 TYR 64 HE2 TYR 64 -1.998 8.821 -3.320 502 HH TYR 64 HH TYR 64 -3.328 9.878 -0.292 503 H GLN 65 H GLN 65 3.663 10.129 -4.917 504 HA GLN 65 HA GLN 65 1.280 11.209 -6.254 505 1HB GLN 65 1HB GLN 65 4.118 11.435 -7.291 506 2HB GLN 65 2HB GLN 65 2.668 11.973 -8.127 507 1HG GLN 65 1HG GLN 65 2.262 13.608 -6.353 508 2HG GLN 65 2HG GLN 65 3.731 13.078 -5.538 509 1HE2 GLN 65 1HE2 GLN 65 4.703 15.074 -5.673 510 2HE2 GLN 65 2HE2 GLN 65 5.278 15.738 -7.161 511 H ILE 66 H ILE 66 0.268 9.401 -6.880 512 HA ILE 66 HA ILE 66 1.915 7.261 -8.039 513 HB ILE 66 HB ILE 66 0.845 6.399 -6.096 514 1HG1 ILE 66 1HG1 ILE 66 -0.730 5.510 -8.521 515 2HG1 ILE 66 2HG1 ILE 66 0.872 4.933 -8.080 516 1HG2 ILE 66 1HG2 ILE 66 -1.767 7.426 -7.193 517 2HG2 ILE 66 2HG2 ILE 66 -0.889 8.078 -5.810 518 3HG2 ILE 66 3HG2 ILE 66 -1.571 6.454 -5.734 519 1HD1 ILE 66 1HD1 ILE 66 -0.044 3.984 -6.020 520 2HD1 ILE 66 2HD1 ILE 66 -0.836 3.333 -7.458 521 3HD1 ILE 66 3HD1 ILE 66 -1.648 4.554 -6.482 522 H ASP 67 H ASP 67 1.861 7.239 -10.144 523 HA ASP 67 HA ASP 67 -0.661 7.107 -11.535 524 1HB ASP 67 1HB ASP 67 -0.362 9.526 -11.507 525 2HB ASP 67 2HB ASP 67 1.279 9.353 -12.129 526 H GLY 68 H GLY 68 -0.490 5.822 -13.306 527 1HA GLY 68 1HA GLY 68 0.466 4.355 -14.797 528 2HA GLY 68 2HA GLY 68 1.878 5.405 -14.794 529 H ASN 69 H ASN 69 3.649 4.307 -14.296 530 HA ASN 69 HA ASN 69 3.476 2.260 -12.175 531 1HB ASN 69 1HB ASN 69 5.520 2.648 -14.377 532 2HB ASN 69 2HB ASN 69 5.679 1.464 -13.085 533 1HD2 ASN 69 1HD2 ASN 69 4.032 2.313 -16.013 534 2HD2 ASN 69 2HD2 ASN 69 3.266 0.782 -16.267 535 H THR 70 H THR 70 3.785 5.290 -12.082 536 HA THR 70 HA THR 70 6.382 5.430 -10.702 537 HB THR 70 HB THR 70 4.766 7.746 -11.776 538 HG1 THR 70 HG1 THR 70 5.887 7.578 -13.630 539 1HG2 THR 70 1HG2 THR 70 6.905 8.953 -11.597 540 2HG2 THR 70 2HG2 THR 70 7.649 7.515 -10.897 541 3HG2 THR 70 3HG2 THR 70 6.359 8.351 -10.034 542 H VAL 71 H VAL 71 6.327 5.563 -8.576 543 HA VAL 71 HA VAL 71 4.141 7.079 -7.307 544 HB VAL 71 HB VAL 71 5.573 4.722 -6.057 545 1HG1 VAL 71 1HG1 VAL 71 3.847 4.900 -4.319 546 2HG1 VAL 71 2HG1 VAL 71 3.200 6.333 -5.122 547 3HG1 VAL 71 3HG1 VAL 71 4.823 6.365 -4.433 548 1HG2 VAL 71 1HG2 VAL 71 3.450 3.510 -6.290 549 2HG2 VAL 71 2HG2 VAL 71 4.139 3.941 -7.855 550 3HG2 VAL 71 3HG2 VAL 71 2.785 4.863 -7.201 551 H THR 72 H THR 72 5.028 8.947 -6.688 552 HA THR 72 HA THR 72 7.855 8.959 -5.874 553 HB THR 72 HB THR 72 6.167 11.266 -6.869 554 HG1 THR 72 HG1 THR 72 7.176 10.943 -8.816 555 1HG2 THR 72 1HG2 THR 72 9.138 11.078 -6.350 556 2HG2 THR 72 2HG2 THR 72 7.977 11.987 -5.386 557 3HG2 THR 72 3HG2 THR 72 8.300 12.463 -7.050 558 H VAL 73 H VAL 73 8.387 9.471 -3.856 559 HA VAL 73 HA VAL 73 6.330 10.670 -2.114 560 HB VAL 73 HB VAL 73 8.673 8.947 -1.275 561 1HG1 VAL 73 1HG1 VAL 73 8.015 10.547 0.432 562 2HG1 VAL 73 2HG1 VAL 73 7.574 8.911 0.915 563 3HG1 VAL 73 3HG1 VAL 73 6.340 10.014 0.310 564 1HG2 VAL 73 1HG2 VAL 73 5.748 8.259 -1.534 565 2HG2 VAL 73 2HG2 VAL 73 6.952 7.247 -0.736 566 3HG2 VAL 73 3HG2 VAL 73 7.087 7.582 -2.462 567 H THR 74 H THR 74 6.740 12.777 -2.033 568 HA THR 74 HA THR 74 9.507 13.633 -1.485 569 HB THR 74 HB THR 74 8.794 14.177 -3.814 570 HG1 THR 74 HG1 THR 74 10.333 15.516 -2.844 571 1HG2 THR 74 1HG2 THR 74 6.420 14.541 -3.453 572 2HG2 THR 74 2HG2 THR 74 7.152 15.984 -4.154 573 3HG2 THR 74 3HG2 THR 74 6.765 15.939 -2.434 574 H ALA 75 H ALA 75 9.759 15.430 -0.093 575 HA ALA 75 HA ALA 75 7.802 15.639 1.958 576 1HB ALA 75 1HB ALA 75 10.190 15.838 2.421 577 2HB ALA 75 2HB ALA 75 9.324 17.286 2.934 578 3HB ALA 75 3HB ALA 75 10.264 17.306 1.442 579 H SER 76 H SER 76 6.211 17.047 2.222 580 HA SER 76 HA SER 76 5.277 18.659 0.141 581 1HB SER 76 1HB SER 76 4.556 19.018 3.053 582 2HB SER 76 2HB SER 76 3.544 19.309 1.639 583 HG SER 76 HG SER 76 3.819 17.059 3.049 584 H ALA 77 H ALA 77 7.090 19.459 3.065 585 HA ALA 77 HA ALA 77 8.351 21.695 1.860 586 1HB ALA 77 1HB ALA 77 7.458 23.463 3.293 587 2HB ALA 77 2HB ALA 77 6.315 22.320 4.002 588 3HB ALA 77 3HB ALA 77 6.187 22.755 2.298 589 H ALA 78 H ALA 78 10.201 20.653 2.575 590 HA ALA 78 HA ALA 78 10.528 20.231 5.456 591 1HB ALA 78 1HB ALA 78 11.217 18.445 3.913 592 2HB ALA 78 2HB ALA 78 12.567 19.049 4.874 593 3HB ALA 78 3HB ALA 78 12.394 19.540 3.187 594 H ALA 79 H ALA 79 10.351 22.909 4.360 595 HA ALA 79 HA ALA 79 13.039 23.987 4.493 596 1HB ALA 79 1HB ALA 79 10.360 25.328 4.132 597 2HB ALA 79 2HB ALA 79 11.547 24.971 2.878 598 3HB ALA 79 3HB ALA 79 11.910 26.167 4.120 599 H LYS 80 H LYS 80 13.042 26.187 5.833 600 HA LYS 80 HA LYS 80 13.055 27.246 7.835 601 1HB LYS 80 1HB LYS 80 10.602 26.796 7.907 602 2HB LYS 80 2HB LYS 80 10.934 25.287 8.740 603 1HG LYS 80 1HG LYS 80 10.323 26.803 10.420 604 2HG LYS 80 2HG LYS 80 12.080 26.697 10.524 605 1HD LYS 80 1HD LYS 80 10.705 28.841 8.924 606 2HD LYS 80 2HD LYS 80 11.013 29.027 10.650 607 1HE LYS 80 1HE LYS 80 13.367 28.885 10.323 608 2HE LYS 80 2HE LYS 80 13.167 28.382 8.644 609 1HZ LYS 80 1HZ LYS 80 12.385 31.033 9.733 610 2HZ LYS 80 2HZ LYS 80 12.284 30.544 8.112 611 3HZ LYS 80 3HZ LYS 80 13.801 30.720 8.854 612 H ASP 81 H ASP 81 12.419 23.857 8.721 613 HA ASP 81 HA ASP 81 14.828 23.918 10.387 614 1HB ASP 81 1HB ASP 81 12.262 22.487 10.513 615 2HB ASP 81 2HB ASP 81 13.667 21.497 10.901 616 H GLY 82 H GLY 82 14.950 23.725 7.491 617 1HA GLY 82 1HA GLY 82 16.749 21.487 7.321 618 2HA GLY 82 2HA GLY 82 15.300 21.292 6.339 Start of MODEL 20 1 1H SER 1 1H SER 1 -11.488 -4.917 -7.590 2 2H SER 1 2H SER 1 -11.048 -5.863 -6.251 3 3H SER 1 3H SER 1 -11.046 -6.540 -7.807 4 HA SER 1 HA SER 1 -9.277 -5.050 -8.476 5 1HB SER 1 1HB SER 1 -9.245 -4.271 -5.548 6 2HB SER 1 2HB SER 1 -8.158 -3.681 -6.802 7 HG SER 1 HG SER 1 -9.937 -2.254 -6.267 8 H GLN 2 H GLN 2 -7.317 -6.051 -8.571 9 HA GLN 2 HA GLN 2 -7.032 -8.560 -7.248 10 1HB GLN 2 1HB GLN 2 -5.128 -6.955 -8.955 11 2HB GLN 2 2HB GLN 2 -4.751 -8.555 -8.326 12 1HG GLN 2 1HG GLN 2 -6.681 -9.470 -9.516 13 2HG GLN 2 2HG GLN 2 -7.037 -7.869 -10.159 14 1HE2 GLN 2 1HE2 GLN 2 -6.840 -8.557 -12.254 15 2HE2 GLN 2 2HE2 GLN 2 -5.315 -8.939 -12.978 16 H GLU 3 H GLU 3 -5.988 -9.084 -5.451 17 HA GLU 3 HA GLU 3 -4.692 -6.912 -3.959 18 1HB GLU 3 1HB GLU 3 -6.024 -9.426 -2.937 19 2HB GLU 3 2HB GLU 3 -5.267 -8.195 -1.938 20 1HG GLU 3 1HG GLU 3 -6.903 -6.565 -2.639 21 2HG GLU 3 2HG GLU 3 -7.632 -7.735 -3.740 22 H TRP 4 H TRP 4 -2.857 -7.465 -2.671 23 HA TRP 4 HA TRP 4 -1.391 -9.803 -3.680 24 1HB TRP 4 1HB TRP 4 -0.328 -6.990 -3.357 25 2HB TRP 4 2HB TRP 4 0.679 -8.401 -3.665 26 HD1 TRP 4 HD1 TRP 4 0.397 -9.587 -6.095 27 HE1 TRP 4 HE1 TRP 4 -0.295 -8.589 -8.366 28 HE3 TRP 4 HE3 TRP 4 -1.782 -5.270 -4.443 29 HZ2 TRP 4 HZ2 TRP 4 -1.601 -6.276 -9.324 30 HZ3 TRP 4 HZ3 TRP 4 -2.733 -3.721 -6.102 31 HH2 TRP 4 HH2 TRP 4 -2.644 -4.211 -8.491 32 H THR 5 H THR 5 0.103 -10.707 -2.261 33 HA THR 5 HA THR 5 -0.294 -9.987 0.550 34 HB THR 5 HB THR 5 1.165 -12.394 -0.578 35 HG1 THR 5 HG1 THR 5 -1.209 -12.179 -1.018 36 1HG2 THR 5 1HG2 THR 5 0.093 -11.794 2.186 37 2HG2 THR 5 2HG2 THR 5 1.792 -11.834 1.720 38 3HG2 THR 5 3HG2 THR 5 0.835 -13.313 1.685 39 H LEU 6 H LEU 6 0.996 -8.313 0.979 40 HA LEU 6 HA LEU 6 3.664 -8.196 -0.214 41 1HB LEU 6 1HB LEU 6 2.227 -6.072 1.373 42 2HB LEU 6 2HB LEU 6 3.621 -5.859 0.332 43 HG LEU 6 HG LEU 6 0.899 -6.682 -0.677 44 1HD1 LEU 6 1HD1 LEU 6 2.169 -3.948 -0.577 45 2HD1 LEU 6 2HD1 LEU 6 0.736 -4.477 0.305 46 3HD1 LEU 6 3HD1 LEU 6 0.692 -4.355 -1.453 47 1HD2 LEU 6 1HD2 LEU 6 3.360 -5.661 -2.091 48 2HD2 LEU 6 2HD2 LEU 6 1.811 -6.023 -2.851 49 3HD2 LEU 6 3HD2 LEU 6 2.758 -7.320 -2.122 50 H ASP 7 H ASP 7 5.349 -8.863 0.990 51 HA ASP 7 HA ASP 7 5.157 -8.807 3.895 52 1HB ASP 7 1HB ASP 7 7.269 -9.879 2.021 53 2HB ASP 7 2HB ASP 7 7.480 -9.828 3.769 54 H ILE 8 H ILE 8 5.393 -6.801 4.672 55 HA ILE 8 HA ILE 8 7.466 -5.086 3.504 56 HB ILE 8 HB ILE 8 4.918 -4.391 4.964 57 1HG1 ILE 8 1HG1 ILE 8 4.615 -5.052 2.626 58 2HG1 ILE 8 2HG1 ILE 8 4.298 -3.330 2.829 59 1HG2 ILE 8 1HG2 ILE 8 6.674 -2.835 5.631 60 2HG2 ILE 8 2HG2 ILE 8 5.502 -2.033 4.585 61 3HG2 ILE 8 3HG2 ILE 8 7.067 -2.530 3.940 62 1HD1 ILE 8 1HD1 ILE 8 6.493 -2.815 1.920 63 2HD1 ILE 8 2HD1 ILE 8 5.548 -3.787 0.793 64 3HD1 ILE 8 3HD1 ILE 8 6.832 -4.535 1.744 65 HA PRO 9 HA PRO 9 9.666 -5.553 7.365 66 1HB PRO 9 1HB PRO 9 11.289 -3.349 6.281 67 2HB PRO 9 2HB PRO 9 11.770 -4.994 6.705 68 1HG PRO 9 1HG PRO 9 11.620 -4.198 4.153 69 2HG PRO 9 2HG PRO 9 11.169 -5.842 4.642 70 1HD PRO 9 1HD PRO 9 9.404 -3.489 4.052 71 2HD PRO 9 2HD PRO 9 9.221 -5.187 3.559 72 H ALA 10 H ALA 10 10.372 -4.162 9.151 73 HA ALA 10 HA ALA 10 8.741 -1.706 9.368 74 1HB ALA 10 1HB ALA 10 8.490 -2.171 11.738 75 2HB ALA 10 2HB ALA 10 9.487 -3.616 11.577 76 3HB ALA 10 3HB ALA 10 7.914 -3.536 10.784 77 H GLN 11 H GLN 11 11.606 -2.192 8.554 78 HA GLN 11 HA GLN 11 12.921 -0.543 10.588 79 1HB GLN 11 1HB GLN 11 15.025 -1.096 9.271 80 2HB GLN 11 2HB GLN 11 14.273 -2.425 10.134 81 1HG GLN 11 1HG GLN 11 13.468 -2.050 7.318 82 2HG GLN 11 2HG GLN 11 15.114 -2.607 7.615 83 1HE2 GLN 11 1HE2 GLN 11 14.660 -4.614 6.697 84 2HE2 GLN 11 2HE2 GLN 11 13.713 -5.809 7.525 85 H SER 12 H SER 12 14.904 0.485 8.744 86 HA SER 12 HA SER 12 13.803 2.909 8.043 87 1HB SER 12 1HB SER 12 16.125 1.520 6.681 88 2HB SER 12 2HB SER 12 15.825 3.258 6.736 89 HG SER 12 HG SER 12 17.118 3.089 8.411 90 H MET 13 H MET 13 12.838 3.758 6.316 91 HA MET 13 HA MET 13 11.173 2.407 4.647 92 1HB MET 13 1HB MET 13 12.581 5.021 4.207 93 2HB MET 13 2HB MET 13 11.391 4.408 3.076 94 1HG MET 13 1HG MET 13 10.950 5.162 5.947 95 2HG MET 13 2HG MET 13 10.377 6.002 4.509 96 1HE MET 13 1HE MET 13 7.912 6.078 5.463 97 2HE MET 13 2HE MET 13 8.509 5.292 6.924 98 3HE MET 13 3HE MET 13 7.080 4.660 6.106 99 H ASN 14 H ASN 14 14.582 2.994 4.131 100 HA ASN 14 HA ASN 14 14.863 2.609 1.431 101 1HB ASN 14 1HB ASN 14 16.709 1.404 3.500 102 2HB ASN 14 2HB ASN 14 17.117 1.842 1.848 103 1HD2 ASN 14 1HD2 ASN 14 18.374 2.681 4.276 104 2HD2 ASN 14 2HD2 ASN 14 18.239 4.411 4.340 105 H SER 15 H SER 15 14.526 0.138 3.956 106 HA SER 15 HA SER 15 14.814 -2.039 2.099 107 1HB SER 15 1HB SER 15 15.490 -2.188 4.500 108 2HB SER 15 2HB SER 15 13.788 -2.062 4.948 109 HG SER 15 HG SER 15 14.569 -4.038 3.108 110 H ALA 16 H ALA 16 12.158 -0.515 3.897 111 HA ALA 16 HA ALA 16 10.163 -2.366 3.146 112 1HB ALA 16 1HB ALA 16 9.950 -0.896 5.080 113 2HB ALA 16 2HB ALA 16 8.579 -0.722 3.985 114 3HB ALA 16 3HB ALA 16 9.849 0.500 4.010 115 H LEU 17 H LEU 17 11.133 0.750 1.779 116 HA LEU 17 HA LEU 17 9.007 0.886 -0.081 117 1HB LEU 17 1HB LEU 17 11.703 2.255 -0.077 118 2HB LEU 17 2HB LEU 17 10.385 2.661 -1.152 119 HG LEU 17 HG LEU 17 10.370 2.953 1.846 120 1HD1 LEU 17 1HD1 LEU 17 11.726 4.623 0.725 121 2HD1 LEU 17 2HD1 LEU 17 10.244 5.346 1.353 122 3HD1 LEU 17 3HD1 LEU 17 10.394 4.994 -0.370 123 1HD2 LEU 17 1HD2 LEU 17 8.233 3.626 -0.177 124 2HD2 LEU 17 2HD2 LEU 17 8.184 4.001 1.547 125 3HD2 LEU 17 3HD2 LEU 17 8.165 2.320 1.007 126 H GLN 18 H GLN 18 12.433 -0.083 -0.472 127 HA GLN 18 HA GLN 18 12.208 -0.855 -3.156 128 1HB GLN 18 1HB GLN 18 14.034 -1.923 -1.002 129 2HB GLN 18 2HB GLN 18 14.207 -2.285 -2.714 130 1HG GLN 18 1HG GLN 18 14.535 0.100 -3.174 131 2HG GLN 18 2HG GLN 18 14.384 0.441 -1.451 132 1HE2 GLN 18 1HE2 GLN 18 16.622 0.945 -3.248 133 2HE2 GLN 18 2HE2 GLN 18 17.973 0.099 -2.573 134 H ALA 19 H ALA 19 11.428 -2.563 -0.195 135 HA ALA 19 HA ALA 19 10.989 -5.109 -1.348 136 1HB ALA 19 1HB ALA 19 11.257 -4.784 1.062 137 2HB ALA 19 2HB ALA 19 9.750 -5.621 0.691 138 3HB ALA 19 3HB ALA 19 9.728 -3.909 1.115 139 H LEU 20 H LEU 20 8.874 -2.307 -0.815 140 HA LEU 20 HA LEU 20 6.474 -3.638 -1.588 141 1HB LEU 20 1HB LEU 20 6.468 -1.651 -0.150 142 2HB LEU 20 2HB LEU 20 7.157 -0.696 -1.448 143 HG LEU 20 HG LEU 20 5.107 -1.060 -2.782 144 1HD1 LEU 20 1HD1 LEU 20 4.423 -3.187 -1.792 145 2HD1 LEU 20 2HD1 LEU 20 3.124 -1.995 -1.731 146 3HD1 LEU 20 3HD1 LEU 20 4.053 -2.363 -0.277 147 1HD2 LEU 20 1HD2 LEU 20 4.696 0.120 -0.038 148 2HD2 LEU 20 2HD2 LEU 20 3.647 0.391 -1.429 149 3HD2 LEU 20 3HD2 LEU 20 5.320 0.953 -1.460 150 H ALA 21 H ALA 21 8.940 -1.754 -3.179 151 HA ALA 21 HA ALA 21 7.622 -1.174 -5.585 152 1HB ALA 21 1HB ALA 21 10.575 -1.573 -5.112 153 2HB ALA 21 2HB ALA 21 9.690 -0.061 -4.912 154 3HB ALA 21 3HB ALA 21 9.847 -0.784 -6.513 155 H LYS 22 H LYS 22 10.104 -3.672 -5.024 156 HA LYS 22 HA LYS 22 9.620 -4.988 -7.469 157 1HB LYS 22 1HB LYS 22 11.006 -5.903 -4.955 158 2HB LYS 22 2HB LYS 22 10.924 -6.879 -6.420 159 1HG LYS 22 1HG LYS 22 12.227 -4.181 -6.105 160 2HG LYS 22 2HG LYS 22 13.024 -5.733 -6.375 161 1HD LYS 22 1HD LYS 22 11.903 -5.905 -8.562 162 2HD LYS 22 2HD LYS 22 11.170 -4.322 -8.296 163 1HE LYS 22 1HE LYS 22 13.460 -3.368 -8.107 164 2HE LYS 22 2HE LYS 22 14.107 -4.949 -8.547 165 1HZ LYS 22 1HZ LYS 22 12.855 -4.792 -10.648 166 2HZ LYS 22 2HZ LYS 22 13.995 -3.556 -10.476 167 3HZ LYS 22 3HZ LYS 22 12.354 -3.226 -10.218 168 H GLN 23 H GLN 23 7.977 -5.176 -4.443 169 HA GLN 23 HA GLN 23 6.841 -7.739 -4.716 170 1HB GLN 23 1HB GLN 23 6.754 -5.680 -2.845 171 2HB GLN 23 2HB GLN 23 5.096 -5.805 -3.423 172 1HG GLN 23 1HG GLN 23 5.310 -7.213 -1.531 173 2HG GLN 23 2HG GLN 23 5.191 -8.235 -2.960 174 1HE2 GLN 23 1HE2 GLN 23 7.250 -7.112 -0.413 175 2HE2 GLN 23 2HE2 GLN 23 8.517 -8.264 -0.650 176 H THR 24 H THR 24 6.025 -4.604 -6.040 177 HA THR 24 HA THR 24 3.754 -5.844 -7.450 178 HB THR 24 HB THR 24 2.932 -3.440 -7.694 179 HG1 THR 24 HG1 THR 24 4.592 -2.948 -5.438 180 1HG2 THR 24 1HG2 THR 24 1.916 -3.414 -5.453 181 2HG2 THR 24 2HG2 THR 24 3.067 -4.639 -4.925 182 3HG2 THR 24 3HG2 THR 24 1.877 -5.028 -6.164 183 H ASP 25 H ASP 25 6.783 -5.299 -7.955 184 HA ASP 25 HA ASP 25 8.199 -4.705 -9.621 185 1HB ASP 25 1HB ASP 25 6.817 -6.490 -10.720 186 2HB ASP 25 2HB ASP 25 5.834 -5.218 -11.432 187 H THR 26 H THR 26 7.094 -2.543 -8.355 188 HA THR 26 HA THR 26 6.435 -0.652 -10.498 189 HB THR 26 HB THR 26 5.795 0.851 -8.533 190 HG1 THR 26 HG1 THR 26 5.333 -1.383 -6.965 191 1HG2 THR 26 1HG2 THR 26 4.124 -0.221 -9.940 192 2HG2 THR 26 2HG2 THR 26 3.606 -0.238 -8.253 193 3HG2 THR 26 3HG2 THR 26 4.251 -1.705 -8.993 194 H GLN 27 H GLN 27 7.153 1.703 -9.626 195 HA GLN 27 HA GLN 27 10.030 1.528 -9.008 196 1HB GLN 27 1HB GLN 27 9.414 2.081 -11.437 197 2HB GLN 27 2HB GLN 27 8.809 3.609 -10.816 198 1HG GLN 27 1HG GLN 27 11.033 3.938 -11.630 199 2HG GLN 27 2HG GLN 27 11.051 4.066 -9.872 200 1HE2 GLN 27 1HE2 GLN 27 10.861 1.081 -11.716 201 2HE2 GLN 27 2HE2 GLN 27 12.403 0.468 -11.218 202 H LEU 28 H LEU 28 10.684 2.820 -7.361 203 HA LEU 28 HA LEU 28 8.752 4.825 -6.413 204 1HB LEU 28 1HB LEU 28 10.666 3.194 -4.737 205 2HB LEU 28 2HB LEU 28 9.578 4.429 -4.134 206 HG LEU 28 HG LEU 28 8.841 1.734 -5.269 207 1HD1 LEU 28 1HD1 LEU 28 8.410 3.025 -2.583 208 2HD1 LEU 28 2HD1 LEU 28 9.545 1.725 -2.952 209 3HD1 LEU 28 3HD1 LEU 28 7.808 1.439 -3.065 210 1HD2 LEU 28 1HD2 LEU 28 7.274 3.412 -6.120 211 2HD2 LEU 28 2HD2 LEU 28 6.998 3.983 -4.474 212 3HD2 LEU 28 3HD2 LEU 28 6.514 2.352 -4.935 213 H LEU 29 H LEU 29 9.444 6.833 -6.307 214 HA LEU 29 HA LEU 29 12.333 7.337 -6.589 215 1HB LEU 29 1HB LEU 29 10.543 8.126 -8.341 216 2HB LEU 29 2HB LEU 29 10.206 9.376 -7.163 217 HG LEU 29 HG LEU 29 11.735 10.118 -8.957 218 1HD1 LEU 29 1HD1 LEU 29 11.850 11.241 -6.818 219 2HD1 LEU 29 2HD1 LEU 29 13.462 11.108 -7.521 220 3HD1 LEU 29 3HD1 LEU 29 12.976 10.029 -6.214 221 1HD2 LEU 29 1HD2 LEU 29 14.039 9.273 -8.997 222 2HD2 LEU 29 2HD2 LEU 29 12.864 8.022 -9.401 223 3HD2 LEU 29 3HD2 LEU 29 13.601 8.054 -7.801 224 H TYR 30 H TYR 30 13.243 7.914 -4.736 225 HA TYR 30 HA TYR 30 11.975 9.830 -2.993 226 1HB TYR 30 1HB TYR 30 12.086 8.398 -0.987 227 2HB TYR 30 2HB TYR 30 10.971 7.746 -2.183 228 HD1 TYR 30 HD1 TYR 30 11.603 5.727 -3.482 229 HD2 TYR 30 HD2 TYR 30 14.040 7.192 -0.318 230 HE1 TYR 30 HE1 TYR 30 12.777 3.571 -3.395 231 HE2 TYR 30 HE2 TYR 30 15.223 5.040 -0.225 232 HH TYR 30 HH TYR 30 14.976 2.704 -2.659 233 H SER 31 H SER 31 13.421 10.734 -1.485 234 HA SER 31 HA SER 31 16.248 10.195 -2.076 235 1HB SER 31 1HB SER 31 14.987 12.653 -0.827 236 2HB SER 31 2HB SER 31 16.683 12.467 -1.275 237 HG SER 31 HG SER 31 14.461 12.945 -2.866 238 HA PRO 32 HA PRO 32 16.199 7.997 1.820 239 1HB PRO 32 1HB PRO 32 19.136 8.327 1.449 240 2HB PRO 32 2HB PRO 32 18.201 6.869 1.803 241 1HG PRO 32 1HG PRO 32 19.154 7.281 -0.637 242 2HG PRO 32 2HG PRO 32 17.528 6.608 -0.408 243 1HD PRO 32 1HD PRO 32 18.345 9.386 -1.159 244 2HD PRO 32 2HD PRO 32 16.977 8.415 -1.743 245 H GLU 33 H GLU 33 18.199 10.874 1.267 246 HA GLU 33 HA GLU 33 18.668 11.342 4.061 247 1HB GLU 33 1HB GLU 33 19.665 13.439 3.354 248 2HB GLU 33 2HB GLU 33 20.223 12.133 2.315 249 1HG GLU 33 1HG GLU 33 18.567 12.808 0.624 250 2HG GLU 33 2HG GLU 33 18.097 14.160 1.655 251 H ASP 34 H ASP 34 16.151 12.080 1.828 252 HA ASP 34 HA ASP 34 15.212 14.375 3.371 253 1HB ASP 34 1HB ASP 34 15.357 14.462 0.861 254 2HB ASP 34 2HB ASP 34 14.067 13.266 0.802 255 H ILE 35 H ILE 35 14.683 11.049 3.139 256 HA ILE 35 HA ILE 35 11.963 11.208 4.204 257 HB ILE 35 HB ILE 35 11.980 8.746 4.092 258 1HG1 ILE 35 1HG1 ILE 35 14.781 9.119 3.011 259 2HG1 ILE 35 2HG1 ILE 35 14.334 8.317 4.512 260 1HG2 ILE 35 1HG2 ILE 35 11.202 9.971 2.161 261 2HG2 ILE 35 2HG2 ILE 35 12.062 8.518 1.647 262 3HG2 ILE 35 3HG2 ILE 35 12.848 10.094 1.542 263 1HD1 ILE 35 1HD1 ILE 35 14.863 6.656 2.883 264 2HD1 ILE 35 2HD1 ILE 35 13.762 7.382 1.710 265 3HD1 ILE 35 3HD1 ILE 35 13.123 6.616 3.164 266 H GLY 36 H GLY 36 14.918 11.622 5.379 267 1HA GLY 36 1HA GLY 36 15.763 11.726 7.496 268 2HA GLY 36 2HA GLY 36 14.111 11.530 8.050 269 H GLY 37 H GLY 37 15.341 8.971 6.111 270 1HA GLY 37 1HA GLY 37 15.702 6.758 6.605 271 2HA GLY 37 2HA GLY 37 16.646 7.359 7.961 272 H LEU 38 H LEU 38 13.172 7.598 7.296 273 HA LEU 38 HA LEU 38 12.566 6.982 10.042 274 1HB LEU 38 1HB LEU 38 10.756 7.395 7.656 275 2HB LEU 38 2HB LEU 38 10.216 7.259 9.317 276 HG LEU 38 HG LEU 38 11.993 9.456 8.253 277 1HD1 LEU 38 1HD1 LEU 38 9.055 9.464 8.926 278 2HD1 LEU 38 2HD1 LEU 38 9.767 9.623 7.320 279 3HD1 LEU 38 3HD1 LEU 38 10.018 10.888 8.525 280 1HD2 LEU 38 1HD2 LEU 38 10.648 9.111 10.929 281 2HD2 LEU 38 2HD2 LEU 38 11.559 10.529 10.407 282 3HD2 LEU 38 3HD2 LEU 38 12.378 8.979 10.609 283 H ARG 39 H ARG 39 11.408 5.194 10.802 284 HA ARG 39 HA ARG 39 11.725 2.786 9.227 285 1HB ARG 39 1HB ARG 39 11.028 1.549 11.165 286 2HB ARG 39 2HB ARG 39 12.198 2.745 11.673 287 1HG ARG 39 1HG ARG 39 9.228 3.147 11.930 288 2HG ARG 39 2HG ARG 39 10.213 2.403 13.188 289 1HD ARG 39 1HD ARG 39 10.561 5.180 12.067 290 2HD ARG 39 2HD ARG 39 9.854 4.773 13.630 291 HE ARG 39 HE ARG 39 12.296 3.630 13.763 292 1HH1 ARG 39 1HH1 ARG 39 11.206 6.855 12.949 293 2HH1 ARG 39 2HH1 ARG 39 12.660 7.628 13.520 294 1HH2 ARG 39 1HH2 ARG 39 14.223 4.638 14.484 295 2HH2 ARG 39 2HH2 ARG 39 14.377 6.369 14.371 296 H SER 40 H SER 40 10.112 1.527 8.450 297 HA SER 40 HA SER 40 7.599 2.854 7.952 298 1HB SER 40 1HB SER 40 7.191 0.688 6.635 299 2HB SER 40 2HB SER 40 8.507 1.726 6.081 300 HG SER 40 HG SER 40 8.592 -0.817 7.109 301 H SER 41 H SER 41 5.560 1.944 8.418 302 HA SER 41 HA SER 41 5.465 0.402 10.866 303 1HB SER 41 1HB SER 41 3.911 2.308 10.524 304 2HB SER 41 2HB SER 41 3.215 1.477 9.132 305 HG SER 41 HG SER 41 1.965 1.165 11.019 306 H ALA 42 H ALA 42 5.197 -1.729 10.938 307 HA ALA 42 HA ALA 42 5.538 -3.325 8.684 308 1HB ALA 42 1HB ALA 42 5.068 -5.211 10.155 309 2HB ALA 42 2HB ALA 42 4.395 -4.114 11.361 310 3HB ALA 42 3HB ALA 42 6.109 -4.033 10.953 311 H LEU 43 H LEU 43 4.063 -2.994 7.068 312 HA LEU 43 HA LEU 43 1.299 -3.801 7.683 313 1HB LEU 43 1HB LEU 43 1.574 -1.429 6.889 314 2HB LEU 43 2HB LEU 43 2.225 -2.068 5.392 315 HG LEU 43 HG LEU 43 0.057 -3.251 5.016 316 1HD1 LEU 43 1HD1 LEU 43 -0.849 -1.573 7.348 317 2HD1 LEU 43 2HD1 LEU 43 -0.708 -3.332 7.324 318 3HD1 LEU 43 3HD1 LEU 43 -1.889 -2.526 6.290 319 1HD2 LEU 43 1HD2 LEU 43 -1.161 -1.238 4.333 320 2HD2 LEU 43 2HD2 LEU 43 0.547 -1.155 3.900 321 3HD2 LEU 43 3HD2 LEU 43 -0.054 -0.252 5.291 322 H LYS 44 H LYS 44 1.986 -5.987 7.408 323 HA LYS 44 HA LYS 44 2.405 -6.643 4.588 324 1HB LYS 44 1HB LYS 44 3.697 -8.591 5.227 325 2HB LYS 44 2HB LYS 44 4.415 -7.140 5.892 326 1HG LYS 44 1HG LYS 44 3.585 -7.654 8.077 327 2HG LYS 44 2HG LYS 44 2.679 -9.036 7.453 328 1HD LYS 44 1HD LYS 44 4.768 -10.110 6.783 329 2HD LYS 44 2HD LYS 44 5.681 -8.719 7.368 330 1HE LYS 44 1HE LYS 44 3.931 -10.479 9.080 331 2HE LYS 44 2HE LYS 44 5.683 -10.627 8.941 332 1HZ LYS 44 1HZ LYS 44 4.140 -8.365 10.090 333 2HZ LYS 44 2HZ LYS 44 5.794 -8.261 9.717 334 3HZ LYS 44 3HZ LYS 44 5.258 -9.378 10.874 335 H GLY 45 H GLY 45 0.859 -7.705 3.678 336 1HA GLY 45 1HA GLY 45 -0.692 -9.764 4.680 337 2HA GLY 45 2HA GLY 45 -1.530 -8.276 5.101 338 H ARG 46 H ARG 46 -3.227 -9.054 3.719 339 HA ARG 46 HA ARG 46 -2.619 -9.089 0.847 340 1HB ARG 46 1HB ARG 46 -3.845 -11.020 1.606 341 2HB ARG 46 2HB ARG 46 -5.032 -10.009 2.418 342 1HG ARG 46 1HG ARG 46 -5.802 -9.172 0.263 343 2HG ARG 46 2HG ARG 46 -4.594 -10.163 -0.557 344 1HD ARG 46 1HD ARG 46 -5.640 -12.177 0.191 345 2HD ARG 46 2HD ARG 46 -6.730 -11.278 1.246 346 HE ARG 46 HE ARG 46 -7.368 -10.267 -1.143 347 1HH1 ARG 46 1HH1 ARG 46 -6.918 -13.580 -0.108 348 2HH1 ARG 46 2HH1 ARG 46 -8.096 -14.217 -1.210 349 1HH2 ARG 46 1HH2 ARG 46 -8.894 -11.091 -2.607 350 2HH2 ARG 46 2HH2 ARG 46 -9.216 -12.799 -2.652 351 H HIS 47 H HIS 47 -2.702 -7.107 -0.023 352 HA HIS 47 HA HIS 47 -5.033 -5.409 0.534 353 1HB HIS 47 1HB HIS 47 -2.170 -4.426 0.682 354 2HB HIS 47 2HB HIS 47 -3.605 -3.421 0.814 355 HD1 HIS 47 HD1 HIS 47 -1.206 -5.205 2.818 356 HD2 HIS 47 HD2 HIS 47 -5.205 -4.161 3.205 357 HE1 HIS 47 HE1 HIS 47 -1.722 -5.420 5.269 358 HE2 HIS 47 HE2 HIS 47 -4.192 -4.955 5.457 359 H ASP 48 H ASP 48 -5.341 -3.726 -1.081 360 HA ASP 48 HA ASP 48 -4.297 -4.443 -3.691 361 1HB ASP 48 1HB ASP 48 -5.820 -2.741 -4.576 362 2HB ASP 48 2HB ASP 48 -6.680 -3.826 -3.489 363 H LEU 49 H LEU 49 -3.569 -2.533 -5.118 364 HA LEU 49 HA LEU 49 -1.102 -1.724 -4.094 365 1HB LEU 49 1HB LEU 49 -1.556 -1.997 -6.487 366 2HB LEU 49 2HB LEU 49 -2.616 -0.600 -6.452 367 HG LEU 49 HG LEU 49 -0.677 0.828 -5.863 368 1HD1 LEU 49 1HD1 LEU 49 0.932 -1.682 -6.318 369 2HD1 LEU 49 2HD1 LEU 49 0.691 -0.880 -4.768 370 3HD1 LEU 49 3HD1 LEU 49 1.580 -0.063 -6.053 371 1HD2 LEU 49 1HD2 LEU 49 -0.305 -0.827 -8.357 372 2HD2 LEU 49 2HD2 LEU 49 0.373 0.774 -8.061 373 3HD2 LEU 49 3HD2 LEU 49 -1.373 0.567 -8.192 374 H GLN 50 H GLN 50 -3.979 0.275 -4.753 375 HA GLN 50 HA GLN 50 -2.849 2.705 -3.949 376 1HB GLN 50 1HB GLN 50 -5.740 1.836 -4.018 377 2HB GLN 50 2HB GLN 50 -5.213 3.493 -3.762 378 1HG GLN 50 1HG GLN 50 -4.608 1.849 -6.210 379 2HG GLN 50 2HG GLN 50 -5.907 3.033 -6.080 380 1HE2 GLN 50 1HE2 GLN 50 -5.099 4.314 -7.708 381 2HE2 GLN 50 2HE2 GLN 50 -3.668 5.269 -7.526 382 H SER 51 H SER 51 -4.854 0.396 -2.138 383 HA SER 51 HA SER 51 -5.021 1.891 0.228 384 1HB SER 51 1HB SER 51 -6.398 -0.117 -0.274 385 2HB SER 51 2HB SER 51 -4.976 -1.127 -0.024 386 HG SER 51 HG SER 51 -6.690 -0.225 1.792 387 H SER 52 H SER 52 -2.600 -0.439 -0.865 388 HA SER 52 HA SER 52 -1.118 -0.561 1.516 389 1HB SER 52 1HB SER 52 -0.122 -0.909 -1.321 390 2HB SER 52 2HB SER 52 0.668 -1.500 0.143 391 HG SER 52 HG SER 52 -1.745 -2.357 -1.050 392 H LEU 53 H LEU 53 -0.710 1.482 -1.376 393 HA LEU 53 HA LEU 53 1.563 2.874 -0.454 394 1HB LEU 53 1HB LEU 53 -0.589 3.764 -2.379 395 2HB LEU 53 2HB LEU 53 0.956 4.559 -2.163 396 HG LEU 53 HG LEU 53 0.598 1.734 -3.172 397 1HD1 LEU 53 1HD1 LEU 53 -0.245 3.377 -4.766 398 2HD1 LEU 53 2HD1 LEU 53 1.253 2.646 -5.342 399 3HD1 LEU 53 3HD1 LEU 53 1.272 4.271 -4.658 400 1HD2 LEU 53 1HD2 LEU 53 3.048 3.489 -3.035 401 2HD2 LEU 53 2HD2 LEU 53 2.964 1.865 -3.718 402 3HD2 LEU 53 3HD2 LEU 53 2.713 2.108 -1.990 403 H ARG 54 H ARG 54 -1.884 3.589 -0.290 404 HA ARG 54 HA ARG 54 -1.700 6.154 0.827 405 1HB ARG 54 1HB ARG 54 -3.715 5.271 -0.247 406 2HB ARG 54 2HB ARG 54 -3.904 4.100 1.047 407 1HG ARG 54 1HG ARG 54 -4.395 5.828 2.627 408 2HG ARG 54 2HG ARG 54 -4.003 7.080 1.443 409 1HD ARG 54 1HD ARG 54 -5.852 6.404 0.052 410 2HD ARG 54 2HD ARG 54 -6.210 5.052 1.124 411 HE ARG 54 HE ARG 54 -6.656 6.863 2.842 412 1HH1 ARG 54 1HH1 ARG 54 -7.019 7.455 -0.583 413 2HH1 ARG 54 2HH1 ARG 54 -8.365 8.540 -0.389 414 1HH2 ARG 54 1HH2 ARG 54 -8.399 8.304 3.112 415 2HH2 ARG 54 2HH2 ARG 54 -9.135 9.041 1.724 416 H ILE 55 H ILE 55 -2.139 2.980 2.393 417 HA ILE 55 HA ILE 55 -2.338 4.114 5.008 418 HB ILE 55 HB ILE 55 -1.846 1.250 4.182 419 1HG1 ILE 55 1HG1 ILE 55 -4.362 2.670 5.082 420 2HG1 ILE 55 2HG1 ILE 55 -3.999 2.191 3.428 421 1HG2 ILE 55 1HG2 ILE 55 -2.542 0.666 6.468 422 2HG2 ILE 55 2HG2 ILE 55 -2.591 2.380 6.880 423 3HG2 ILE 55 3HG2 ILE 55 -1.057 1.620 6.456 424 1HD1 ILE 55 1HD1 ILE 55 -4.016 -0.156 4.113 425 2HD1 ILE 55 2HD1 ILE 55 -5.546 0.644 4.472 426 3HD1 ILE 55 3HD1 ILE 55 -4.389 0.337 5.766 427 H LEU 56 H LEU 56 0.322 2.783 3.121 428 HA LEU 56 HA LEU 56 2.118 2.465 5.284 429 1HB LEU 56 1HB LEU 56 2.210 1.496 2.885 430 2HB LEU 56 2HB LEU 56 2.992 3.006 2.464 431 HG LEU 56 HG LEU 56 4.070 1.232 4.646 432 1HD1 LEU 56 1HD1 LEU 56 5.595 0.279 2.991 433 2HD1 LEU 56 2HD1 LEU 56 4.747 1.146 1.712 434 3HD1 LEU 56 3HD1 LEU 56 3.914 -0.113 2.620 435 1HD2 LEU 56 1HD2 LEU 56 5.344 3.319 2.875 436 2HD2 LEU 56 2HD2 LEU 56 6.177 2.369 4.106 437 3HD2 LEU 56 3HD2 LEU 56 4.925 3.518 4.578 438 H LEU 57 H LEU 57 1.694 5.098 2.921 439 HA LEU 57 HA LEU 57 3.745 6.683 4.166 440 1HB LEU 57 1HB LEU 57 1.812 7.185 1.935 441 2HB LEU 57 2HB LEU 57 2.750 8.497 2.612 442 HG LEU 57 HG LEU 57 3.860 7.733 0.644 443 1HD1 LEU 57 1HD1 LEU 57 5.266 6.708 3.098 444 2HD1 LEU 57 2HD1 LEU 57 5.314 8.353 2.467 445 3HD1 LEU 57 3HD1 LEU 57 6.031 7.031 1.543 446 1HD2 LEU 57 1HD2 LEU 57 2.867 5.514 0.462 447 2HD2 LEU 57 2HD2 LEU 57 3.815 4.964 1.843 448 3HD2 LEU 57 3HD2 LEU 57 4.626 5.429 0.348 449 H GLN 58 H GLN 58 0.321 6.344 4.463 450 HA GLN 58 HA GLN 58 -0.465 8.669 5.712 451 1HB GLN 58 1HB GLN 58 -1.961 6.799 5.141 452 2HB GLN 58 2HB GLN 58 -1.260 5.847 6.442 453 1HG GLN 58 1HG GLN 58 -2.080 7.509 8.061 454 2HG GLN 58 2HG GLN 58 -2.847 8.384 6.736 455 1HE2 GLN 58 1HE2 GLN 58 -2.640 4.908 6.900 456 2HE2 GLN 58 2HE2 GLN 58 -4.330 4.616 7.141 457 H GLY 59 H GLY 59 0.650 9.701 7.259 458 1HA GLY 59 1HA GLY 59 1.116 10.038 9.542 459 2HA GLY 59 2HA GLY 59 1.066 8.298 9.785 460 H THR 60 H THR 60 2.970 10.739 8.018 461 HA THR 60 HA THR 60 5.426 9.492 8.957 462 HB THR 60 HB THR 60 6.403 9.583 6.633 463 HG1 THR 60 HG1 THR 60 3.798 9.356 5.604 464 1HG2 THR 60 1HG2 THR 60 5.768 7.451 7.690 465 2HG2 THR 60 2HG2 THR 60 5.523 7.419 5.944 466 3HG2 THR 60 3HG2 THR 60 4.144 7.616 7.023 467 H GLY 61 H GLY 61 3.764 12.126 7.324 468 1HA GLY 61 1HA GLY 61 4.324 14.411 7.618 469 2HA GLY 61 2HA GLY 61 5.964 13.926 8.028 470 H LEU 62 H LEU 62 4.823 12.160 5.438 471 HA LEU 62 HA LEU 62 6.211 13.918 3.522 472 1HB LEU 62 1HB LEU 62 6.002 10.909 3.387 473 2HB LEU 62 2HB LEU 62 6.988 11.949 2.378 474 HG LEU 62 HG LEU 62 7.411 11.497 5.336 475 1HD1 LEU 62 1HD1 LEU 62 9.384 10.235 4.647 476 2HD1 LEU 62 2HD1 LEU 62 8.928 10.439 2.956 477 3HD1 LEU 62 3HD1 LEU 62 7.903 9.496 4.037 478 1HD2 LEU 62 1HD2 LEU 62 9.103 12.945 3.306 479 2HD2 LEU 62 2HD2 LEU 62 9.513 12.672 4.999 480 3HD2 LEU 62 3HD2 LEU 62 8.145 13.702 4.578 481 H ARG 63 H ARG 63 5.490 13.687 1.272 482 HA ARG 63 HA ARG 63 2.620 13.024 1.090 483 1HB ARG 63 1HB ARG 63 4.213 15.128 -0.391 484 2HB ARG 63 2HB ARG 63 2.571 14.670 -0.816 485 1HG ARG 63 1HG ARG 63 1.810 15.392 1.401 486 2HG ARG 63 2HG ARG 63 3.458 15.875 1.798 487 1HD ARG 63 1HD ARG 63 3.421 17.489 -0.051 488 2HD ARG 63 2HD ARG 63 1.770 17.003 -0.436 489 HE ARG 63 HE ARG 63 1.795 17.752 2.241 490 1HH1 ARG 63 1HH1 ARG 63 2.319 19.292 -0.884 491 2HH1 ARG 63 2HH1 ARG 63 1.788 20.848 -0.320 492 1HH2 ARG 63 1HH2 ARG 63 1.091 19.792 2.942 493 2HH2 ARG 63 2HH2 ARG 63 1.103 21.134 1.840 494 H TYR 64 H TYR 64 2.080 11.469 -0.286 495 HA TYR 64 HA TYR 64 4.174 10.404 -2.038 496 1HB TYR 64 1HB TYR 64 2.935 8.318 -2.063 497 2HB TYR 64 2HB TYR 64 3.193 8.833 -0.402 498 HD1 TYR 64 HD1 TYR 64 1.263 9.838 0.873 499 HD2 TYR 64 HD2 TYR 64 0.762 7.977 -2.919 500 HE1 TYR 64 HE1 TYR 64 -1.143 9.596 1.316 501 HE2 TYR 64 HE2 TYR 64 -1.647 7.741 -2.493 502 HH TYR 64 HH TYR 64 -3.233 9.330 0.082 503 H GLN 65 H GLN 65 3.822 9.993 -4.184 504 HA GLN 65 HA GLN 65 1.322 10.983 -5.377 505 1HB GLN 65 1HB GLN 65 4.119 11.622 -6.338 506 2HB GLN 65 2HB GLN 65 2.653 11.963 -7.243 507 1HG GLN 65 1HG GLN 65 1.918 13.488 -5.491 508 2HG GLN 65 2HG GLN 65 3.380 13.135 -4.568 509 1HE2 GLN 65 1HE2 GLN 65 5.020 12.991 -6.983 510 2HE2 GLN 65 2HE2 GLN 65 5.266 14.623 -7.502 511 H ILE 66 H ILE 66 0.469 9.517 -6.746 512 HA ILE 66 HA ILE 66 2.237 7.354 -7.653 513 HB ILE 66 HB ILE 66 0.354 6.505 -6.428 514 1HG1 ILE 66 1HG1 ILE 66 -0.092 6.057 -9.389 515 2HG1 ILE 66 2HG1 ILE 66 1.131 5.244 -8.420 516 1HG2 ILE 66 1HG2 ILE 66 -1.387 8.021 -8.366 517 2HG2 ILE 66 2HG2 ILE 66 -1.183 8.356 -6.646 518 3HG2 ILE 66 3HG2 ILE 66 -1.967 6.865 -7.167 519 1HD1 ILE 66 1HD1 ILE 66 -0.619 4.212 -7.076 520 2HD1 ILE 66 2HD1 ILE 66 -0.806 3.826 -8.787 521 3HD1 ILE 66 3HD1 ILE 66 -1.845 5.037 -8.037 522 H ASP 67 H ASP 67 2.868 7.272 -9.652 523 HA ASP 67 HA ASP 67 1.246 8.565 -11.742 524 1HB ASP 67 1HB ASP 67 4.241 8.688 -11.354 525 2HB ASP 67 2HB ASP 67 3.466 9.077 -12.885 526 H GLY 68 H GLY 68 0.350 6.652 -12.434 527 1HA GLY 68 1HA GLY 68 0.208 4.712 -13.657 528 2HA GLY 68 2HA GLY 68 1.827 5.062 -14.241 529 H ASN 69 H ASN 69 3.536 3.946 -13.435 530 HA ASN 69 HA ASN 69 2.976 2.043 -11.249 531 1HB ASN 69 1HB ASN 69 4.578 0.501 -12.249 532 2HB ASN 69 2HB ASN 69 3.331 0.909 -13.422 533 1HD2 ASN 69 1HD2 ASN 69 6.678 1.159 -12.593 534 2HD2 ASN 69 2HD2 ASN 69 7.215 1.828 -14.097 535 H THR 70 H THR 70 4.278 4.859 -11.708 536 HA THR 70 HA THR 70 6.686 4.323 -10.094 537 HB THR 70 HB THR 70 6.069 6.799 -11.727 538 HG1 THR 70 HG1 THR 70 6.824 4.438 -12.596 539 1HG2 THR 70 1HG2 THR 70 8.447 7.323 -11.376 540 2HG2 THR 70 2HG2 THR 70 8.607 5.893 -10.356 541 3HG2 THR 70 3HG2 THR 70 7.573 7.227 -9.848 542 H VAL 71 H VAL 71 6.890 5.339 -8.130 543 HA VAL 71 HA VAL 71 4.653 7.069 -7.300 544 HB VAL 71 HB VAL 71 5.973 5.014 -5.518 545 1HG1 VAL 71 1HG1 VAL 71 3.519 6.722 -5.123 546 2HG1 VAL 71 2HG1 VAL 71 5.073 6.912 -4.309 547 3HG1 VAL 71 3HG1 VAL 71 4.090 5.478 -4.012 548 1HG2 VAL 71 1HG2 VAL 71 3.315 4.856 -6.941 549 2HG2 VAL 71 2HG2 VAL 71 3.872 3.734 -5.698 550 3HG2 VAL 71 3HG2 VAL 71 4.733 3.845 -7.234 551 H THR 72 H THR 72 5.226 8.858 -6.164 552 HA THR 72 HA THR 72 8.124 9.248 -5.770 553 HB THR 72 HB THR 72 6.072 11.429 -6.181 554 HG1 THR 72 HG1 THR 72 6.724 9.683 -7.965 555 1HG2 THR 72 1HG2 THR 72 8.167 12.138 -5.146 556 2HG2 THR 72 2HG2 THR 72 8.050 12.761 -6.790 557 3HG2 THR 72 3HG2 THR 72 9.084 11.376 -6.445 558 H VAL 73 H VAL 73 8.829 9.700 -3.768 559 HA VAL 73 HA VAL 73 6.827 10.430 -1.726 560 HB VAL 73 HB VAL 73 9.395 8.886 -1.302 561 1HG1 VAL 73 1HG1 VAL 73 8.571 8.532 0.970 562 2HG1 VAL 73 2HG1 VAL 73 7.166 9.538 0.622 563 3HG1 VAL 73 3HG1 VAL 73 8.779 10.250 0.626 564 1HG2 VAL 73 1HG2 VAL 73 7.944 6.966 -0.826 565 2HG2 VAL 73 2HG2 VAL 73 7.757 7.535 -2.483 566 3HG2 VAL 73 3HG2 VAL 73 6.535 7.929 -1.275 567 H THR 74 H THR 74 7.027 12.510 -1.290 568 HA THR 74 HA THR 74 9.729 13.614 -0.872 569 HB THR 74 HB THR 74 8.815 14.417 -3.029 570 HG1 THR 74 HG1 THR 74 8.844 16.783 -2.286 571 1HG2 THR 74 1HG2 THR 74 6.905 15.960 -3.041 572 2HG2 THR 74 2HG2 THR 74 6.635 15.636 -1.328 573 3HG2 THR 74 3HG2 THR 74 6.436 14.346 -2.515 574 H ALA 75 H ALA 75 9.860 15.302 0.712 575 HA ALA 75 HA ALA 75 8.135 14.875 2.934 576 1HB ALA 75 1HB ALA 75 10.513 15.343 3.225 577 2HB ALA 75 2HB ALA 75 9.522 16.538 4.066 578 3HB ALA 75 3HB ALA 75 10.286 16.948 2.529 579 H SER 76 H SER 76 6.554 16.149 3.781 580 HA SER 76 HA SER 76 5.197 17.969 2.087 581 1HB SER 76 1HB SER 76 4.867 17.624 5.076 582 2HB SER 76 2HB SER 76 3.683 18.284 3.948 583 HG SER 76 HG SER 76 3.120 16.182 4.263 584 H ALA 77 H ALA 77 6.459 19.698 1.518 585 HA ALA 77 HA ALA 77 7.015 21.625 3.664 586 1HB ALA 77 1HB ALA 77 8.911 20.969 1.409 587 2HB ALA 77 2HB ALA 77 9.129 20.524 3.100 588 3HB ALA 77 3HB ALA 77 9.144 22.223 2.627 589 H ALA 78 H ALA 78 4.805 21.457 1.858 590 HA ALA 78 HA ALA 78 5.131 24.008 0.460 591 1HB ALA 78 1HB ALA 78 4.005 21.532 -0.851 592 2HB ALA 78 2HB ALA 78 5.545 22.300 -1.236 593 3HB ALA 78 3HB ALA 78 4.034 23.148 -1.553 594 H ALA 79 H ALA 79 3.858 24.857 2.152 595 HA ALA 79 HA ALA 79 1.058 23.938 2.175 596 1HB ALA 79 1HB ALA 79 2.567 25.333 4.385 597 2HB ALA 79 2HB ALA 79 2.215 23.608 4.314 598 3HB ALA 79 3HB ALA 79 0.897 24.771 4.454 599 H LYS 80 H LYS 80 2.472 25.971 0.443 600 HA LYS 80 HA LYS 80 0.928 28.348 1.191 601 1HB LYS 80 1HB LYS 80 3.064 28.021 -0.925 602 2HB LYS 80 2HB LYS 80 2.227 29.521 -0.552 603 1HG LYS 80 1HG LYS 80 4.080 27.986 1.253 604 2HG LYS 80 2HG LYS 80 4.394 29.536 0.474 605 1HD LYS 80 1HD LYS 80 2.561 30.540 1.771 606 2HD LYS 80 2HD LYS 80 2.289 28.989 2.569 607 1HE LYS 80 1HE LYS 80 4.815 30.634 2.685 608 2HE LYS 80 2HE LYS 80 3.620 30.474 3.972 609 1HZ LYS 80 1HZ LYS 80 5.089 28.160 2.843 610 2HZ LYS 80 2HZ LYS 80 4.177 28.208 4.269 611 3HZ LYS 80 3HZ LYS 80 5.649 29.038 4.176 612 H ASP 81 H ASP 81 1.802 26.973 -1.978 613 HA ASP 81 HA ASP 81 -0.917 27.548 -2.876 614 1HB ASP 81 1HB ASP 81 1.067 28.293 -4.232 615 2HB ASP 81 2HB ASP 81 1.423 26.595 -4.540 616 H GLY 82 H GLY 82 -1.531 25.752 -1.363 617 1HA GLY 82 1HA GLY 82 -2.332 23.508 -2.856 618 2HA GLY 82 2HA GLY 82 -0.950 23.067 -1.857
Contact the webmaster for help, if required. Wednesday, May 22, 2024 4:28:30 PM GMT (wattos1)