NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
27860 | 2sob | 4010 | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 866 H/Q atoms Start of MODEL 1 1 1H ALA 1 2H ALA 1 -1.266 19.715 -20.071 2 2H ALA 1 1H ALA 1 -2.378 19.179 -21.238 3 3H ALA 1 3H ALA 1 -2.859 19.336 -19.620 4 HA ALA 1 HA ALA 1 -1.407 17.559 -18.946 5 1HB ALA 1 2HB ALA 1 -3.132 16.897 -21.353 6 2HB ALA 1 1HB ALA 1 -2.496 15.703 -20.221 7 3HB ALA 1 3HB ALA 1 -3.649 16.919 -19.667 8 H THR 2 H THR 2 0.565 16.648 -19.271 9 HA THR 2 HA THR 2 1.669 16.626 -22.056 10 HB THR 2 HB THR 2 3.926 16.895 -20.971 11 HG1 THR 2 HG1 THR 2 3.905 16.590 -18.902 12 1HG2 THR 2 2HG2 THR 2 1.894 19.081 -20.440 13 2HG2 THR 2 1HG2 THR 2 3.642 19.309 -20.493 14 3HG2 THR 2 3HG2 THR 2 2.771 18.824 -21.948 15 H SER 3 H SER 3 2.993 14.807 -22.603 16 HA SER 3 HA SER 3 2.215 12.329 -21.292 17 1HB SER 3 2HB SER 3 3.940 13.056 -23.640 18 2HB SER 3 1HB SER 3 4.064 11.438 -22.956 19 HG SER 3 HG SER 3 1.934 12.695 -24.258 20 H THR 4 H THR 4 3.048 12.299 -19.199 21 HA THR 4 HA THR 4 6.025 12.131 -18.995 22 HB THR 4 HB THR 4 5.128 14.318 -18.114 23 HG1 THR 4 HG1 THR 4 6.777 14.141 -16.865 24 1HG2 THR 4 1HG2 THR 4 2.970 13.295 -17.271 25 2HG2 THR 4 3HG2 THR 4 3.897 12.611 -15.937 26 3HG2 THR 4 2HG2 THR 4 3.781 14.359 -16.124 27 H LYS 5 H LYS 5 3.938 10.028 -19.245 28 HA LYS 5 HA LYS 5 4.070 8.756 -16.551 29 1HB LYS 5 2HB LYS 5 1.967 8.982 -18.338 30 2HB LYS 5 1HB LYS 5 2.551 7.343 -18.625 31 1HG LYS 5 2HG LYS 5 2.601 7.268 -15.965 32 2HG LYS 5 1HG LYS 5 1.385 8.534 -16.139 33 1HD LYS 5 2HD LYS 5 0.107 6.554 -16.116 34 2HD LYS 5 1HD LYS 5 0.257 6.924 -17.834 35 1HE LYS 5 2HE LYS 5 0.792 4.624 -17.704 36 2HE LYS 5 1HE LYS 5 2.363 5.421 -17.774 37 1HZ LYS 5 2HZ LYS 5 1.026 4.715 -15.223 38 2HZ LYS 5 1HZ LYS 5 2.107 3.672 -16.017 39 3HZ LYS 5 3HZ LYS 5 2.644 5.182 -15.459 40 H LYS 6 H LYS 6 5.234 6.914 -16.235 41 HA LYS 6 HA LYS 6 6.015 5.045 -18.262 42 1HB LYS 6 2HB LYS 6 8.518 5.570 -18.167 43 2HB LYS 6 1HB LYS 6 7.534 6.667 -19.134 44 1HG LYS 6 2HG LYS 6 7.389 8.171 -17.094 45 2HG LYS 6 1HG LYS 6 8.597 7.133 -16.335 46 1HD LYS 6 2HD LYS 6 10.243 7.677 -17.963 47 2HD LYS 6 1HD LYS 6 9.047 8.379 -19.051 48 1HE LYS 6 2HE LYS 6 9.998 10.286 -18.091 49 2HE LYS 6 1HE LYS 6 8.590 10.025 -17.062 50 1HZ LYS 6 2HZ LYS 6 11.250 8.881 -16.433 51 2HZ LYS 6 1HZ LYS 6 10.774 10.421 -15.897 52 3HZ LYS 6 3HZ LYS 6 9.907 9.049 -15.403 53 H LEU 7 H LEU 7 6.811 6.525 -15.142 54 HA LEU 7 HA LEU 7 7.089 5.546 -13.037 55 1HB LEU 7 2HB LEU 7 6.743 2.838 -14.346 56 2HB LEU 7 1HB LEU 7 6.512 3.258 -12.652 57 HG LEU 7 HG LEU 7 4.870 4.845 -14.522 58 1HD1 LEU 7 2HD1 LEU 7 4.822 1.867 -14.504 59 2HD1 LEU 7 1HD1 LEU 7 3.262 2.684 -14.421 60 3HD1 LEU 7 3HD1 LEU 7 4.348 2.993 -15.776 61 1HD2 LEU 7 1HD2 LEU 7 4.802 4.724 -11.945 62 2HD2 LEU 7 3HD2 LEU 7 3.257 4.621 -12.789 63 3HD2 LEU 7 2HD2 LEU 7 4.018 3.159 -12.160 64 H HIS 8 H HIS 8 9.045 5.434 -12.096 65 HA HIS 8 HA HIS 8 11.389 4.626 -13.663 66 1HB HIS 8 2HB HIS 8 11.079 5.673 -10.830 67 2HB HIS 8 1HB HIS 8 12.635 5.321 -11.582 68 HD1 HIS 8 HD1 HIS 8 10.102 7.939 -11.295 69 HD2 HIS 8 HD2 HIS 8 13.088 6.948 -14.030 70 HE1 HIS 8 HE1 HIS 8 10.479 9.997 -12.721 71 H LYS 9 H LYS 9 12.489 3.703 -10.776 72 HA LYS 9 HA LYS 9 11.214 1.207 -10.200 73 1HB LYS 9 2HB LYS 9 13.046 -0.277 -11.180 74 2HB LYS 9 1HB LYS 9 11.923 0.414 -12.344 75 1HG LYS 9 2HG LYS 9 13.528 1.684 -13.327 76 2HG LYS 9 1HG LYS 9 14.262 2.119 -11.783 77 1HD LYS 9 2HD LYS 9 15.835 0.515 -11.985 78 2HD LYS 9 1HD LYS 9 14.625 -0.711 -12.367 79 1HE LYS 9 2HE LYS 9 14.627 -0.105 -14.694 80 2HE LYS 9 1HE LYS 9 15.599 1.332 -14.380 81 1HZ LYS 9 1HZ LYS 9 17.413 -0.100 -13.664 82 2HZ LYS 9 3HZ LYS 9 16.477 -1.479 -13.985 83 3HZ LYS 9 2HZ LYS 9 16.949 -0.459 -15.259 84 H GLU 10 H GLU 10 11.990 0.511 -8.212 85 HA GLU 10 HA GLU 10 14.753 0.899 -7.393 86 1HB GLU 10 2HB GLU 10 13.412 3.175 -7.098 87 2HB GLU 10 1HB GLU 10 12.778 2.364 -5.667 88 1HG GLU 10 2HG GLU 10 15.029 2.003 -4.814 89 2HG GLU 10 1HG GLU 10 15.731 2.663 -6.291 90 HA PRO 11 HA PRO 11 13.364 -2.670 -5.212 91 1HB PRO 11 2HB PRO 11 15.525 -2.363 -3.303 92 2HB PRO 11 1HB PRO 11 15.324 -3.585 -4.566 93 1HG PRO 11 2HG PRO 11 17.171 -1.431 -4.592 94 2HG PRO 11 1HG PRO 11 16.791 -2.512 -5.939 95 1HD PRO 11 2HD PRO 11 16.051 0.290 -5.603 96 2HD PRO 11 1HD PRO 11 15.839 -0.751 -7.027 97 H ALA 12 H ALA 12 12.465 -3.233 -3.136 98 HA ALA 12 HA ALA 12 12.141 -1.029 -1.175 99 1HB ALA 12 1HB ALA 12 10.241 -1.317 -3.034 100 2HB ALA 12 3HB ALA 12 9.695 -2.566 -1.916 101 3HB ALA 12 2HB ALA 12 9.852 -0.897 -1.366 102 H THR 13 H THR 13 10.082 -2.474 0.302 103 HA THR 13 HA THR 13 11.204 -5.128 0.899 104 HB THR 13 HB THR 13 12.628 -3.736 2.305 105 HG1 THR 13 HG1 THR 13 12.123 -5.477 3.450 106 1HG2 THR 13 1HG2 THR 13 10.995 -1.783 2.281 107 2HG2 THR 13 3HG2 THR 13 10.129 -2.609 3.577 108 3HG2 THR 13 2HG2 THR 13 11.797 -2.092 3.820 109 H LEU 14 H LEU 14 9.452 -6.399 1.130 110 HA LEU 14 HA LEU 14 6.815 -5.430 1.172 111 1HB LEU 14 2HB LEU 14 6.066 -7.676 1.570 112 2HB LEU 14 1HB LEU 14 7.425 -7.721 0.467 113 HG LEU 14 HG LEU 14 7.938 -9.478 1.883 114 1HD1 LEU 14 2HD1 LEU 14 9.194 -7.060 3.189 115 2HD1 LEU 14 1HD1 LEU 14 9.611 -8.715 3.618 116 3HD1 LEU 14 3HD1 LEU 14 9.901 -8.130 1.981 117 1HD2 LEU 14 2HD2 LEU 14 6.133 -8.112 3.658 118 2HD2 LEU 14 1HD2 LEU 14 6.619 -9.806 3.659 119 3HD2 LEU 14 3HD2 LEU 14 7.568 -8.617 4.550 120 H ILE 15 H ILE 15 5.723 -4.386 2.672 121 HA ILE 15 HA ILE 15 6.400 -4.887 5.535 122 HB ILE 15 HB ILE 15 4.919 -2.521 4.331 123 1HG1 ILE 15 2HG1 ILE 15 7.709 -2.574 5.511 124 2HG1 ILE 15 1HG1 ILE 15 7.402 -2.720 3.781 125 1HG2 ILE 15 1HG2 ILE 15 5.865 -3.179 7.131 126 2HG2 ILE 15 3HG2 ILE 15 5.405 -1.552 6.633 127 3HG2 ILE 15 2HG2 ILE 15 4.215 -2.852 6.603 128 1HD1 ILE 15 2HD1 ILE 15 5.948 -0.556 4.148 129 2HD1 ILE 15 1HD1 ILE 15 6.944 -0.369 5.591 130 3HD1 ILE 15 3HD1 ILE 15 7.698 -0.417 4.000 131 H LYS 16 H LYS 16 3.554 -4.077 3.497 132 HA LYS 16 HA LYS 16 2.018 -6.329 4.354 133 1HB LYS 16 2HB LYS 16 0.266 -4.774 5.591 134 2HB LYS 16 1HB LYS 16 1.597 -5.514 6.474 135 1HG LYS 16 2HG LYS 16 2.373 -3.483 7.051 136 2HG LYS 16 1HG LYS 16 2.500 -3.026 5.356 137 1HD LYS 16 2HD LYS 16 0.939 -1.467 5.990 138 2HD LYS 16 1HD LYS 16 -0.166 -2.797 5.646 139 1HE LYS 16 2HE LYS 16 1.020 -2.704 8.380 140 2HE LYS 16 1HE LYS 16 -0.191 -1.481 7.993 141 1HZ LYS 16 1HZ LYS 16 -1.693 -3.252 7.298 142 2HZ LYS 16 3HZ LYS 16 -0.529 -4.420 7.697 143 3HZ LYS 16 2HZ LYS 16 -1.216 -3.455 8.916 144 H ALA 17 H ALA 17 1.029 -6.592 2.416 145 HA ALA 17 HA ALA 17 0.231 -4.376 0.713 146 1HB ALA 17 3HB ALA 17 -0.494 -7.325 0.642 147 2HB ALA 17 2HB ALA 17 -0.916 -6.168 -0.619 148 3HB ALA 17 1HB ALA 17 0.775 -6.535 -0.291 149 H ILE 18 H ILE 18 -1.356 -3.063 1.294 150 HA ILE 18 HA ILE 18 -3.460 -3.767 3.144 151 HB ILE 18 HB ILE 18 -2.876 -1.402 1.370 152 1HG1 ILE 18 2HG1 ILE 18 -3.185 -0.822 4.163 153 2HG1 ILE 18 1HG1 ILE 18 -2.140 -2.232 4.001 154 1HG2 ILE 18 3HG2 ILE 18 -5.378 -2.070 2.870 155 2HG2 ILE 18 2HG2 ILE 18 -4.798 -0.407 2.962 156 3HG2 ILE 18 1HG2 ILE 18 -5.175 -1.125 1.395 157 1HD1 ILE 18 2HD1 ILE 18 -0.968 -0.825 2.127 158 2HD1 ILE 18 1HD1 ILE 18 -1.743 0.546 2.920 159 3HD1 ILE 18 3HD1 ILE 18 -0.612 -0.467 3.817 160 H ASP 19 H ASP 19 -3.614 -2.854 -0.336 161 HA ASP 19 HA ASP 19 -5.773 -4.839 -0.732 162 1HB ASP 19 2HB ASP 19 -6.061 -1.854 -1.076 163 2HB ASP 19 1HB ASP 19 -7.065 -2.974 -1.991 164 H GLY 20 H GLY 20 -6.443 -3.882 -3.371 165 1HA GLY 20 2HA GLY 20 -4.455 -5.115 -4.964 166 2HA GLY 20 1HA GLY 20 -5.689 -4.022 -5.591 167 H ASP 21 H ASP 21 -5.197 -1.697 -5.626 168 HA ASP 21 HA ASP 21 -2.496 -1.114 -6.396 169 1HB ASP 21 2HB ASP 21 -4.659 0.859 -5.599 170 2HB ASP 21 1HB ASP 21 -3.227 1.201 -6.559 171 H THR 22 H THR 22 -4.230 -0.838 -3.328 172 HA THR 22 HA THR 22 -2.246 0.889 -2.094 173 HB THR 22 HB THR 22 -4.196 -0.871 -0.626 174 HG1 THR 22 HG1 THR 22 -4.646 1.645 -1.855 175 1HG2 THR 22 2HG2 THR 22 -2.334 0.611 0.469 176 2HG2 THR 22 1HG2 THR 22 -3.421 1.942 0.069 177 3HG2 THR 22 3HG2 THR 22 -3.968 0.646 1.131 178 H VAL 23 H VAL 23 -0.275 0.247 -1.385 179 HA VAL 23 HA VAL 23 0.068 -2.455 -0.231 180 HB VAL 23 HB VAL 23 2.187 -2.726 -1.643 181 1HG1 VAL 23 1HG1 VAL 23 0.078 -4.018 -1.982 182 2HG1 VAL 23 3HG1 VAL 23 -0.476 -2.767 -3.096 183 3HG1 VAL 23 2HG1 VAL 23 0.947 -3.730 -3.490 184 1HG2 VAL 23 1HG2 VAL 23 0.892 -0.344 -2.923 185 2HG2 VAL 23 3HG2 VAL 23 2.604 -0.700 -2.694 186 3HG2 VAL 23 2HG2 VAL 23 1.693 -1.518 -3.965 187 H LYS 24 H LYS 24 1.546 -2.486 1.445 188 HA LYS 24 HA LYS 24 2.905 0.100 2.031 189 1HB LYS 24 2HB LYS 24 1.367 -1.051 3.717 190 2HB LYS 24 1HB LYS 24 2.624 -2.275 3.875 191 1HG LYS 24 2HG LYS 24 3.636 -0.945 5.382 192 2HG LYS 24 1HG LYS 24 3.965 0.191 4.075 193 1HD LYS 24 2HD LYS 24 2.284 1.605 4.702 194 2HD LYS 24 1HD LYS 24 1.217 0.285 5.183 195 1HE LYS 24 2HE LYS 24 3.074 0.003 7.095 196 2HE LYS 24 1HE LYS 24 3.289 1.724 6.774 197 1HZ LYS 24 1HZ LYS 24 0.710 0.400 7.420 198 2HZ LYS 24 3HZ LYS 24 1.633 1.333 8.494 199 3HZ LYS 24 2HZ LYS 24 0.930 2.060 7.129 200 H LEU 25 H LEU 25 5.031 0.255 1.605 201 HA LEU 25 HA LEU 25 6.904 -1.914 2.185 202 1HB LEU 25 2HB LEU 25 7.845 -1.973 -0.136 203 2HB LEU 25 1HB LEU 25 6.228 -2.669 -0.015 204 HG LEU 25 HG LEU 25 6.226 0.217 -0.533 205 1HD1 LEU 25 3HD1 LEU 25 8.233 -0.399 -1.818 206 2HD1 LEU 25 2HD1 LEU 25 7.327 -1.681 -2.622 207 3HD1 LEU 25 1HD1 LEU 25 6.897 0.008 -2.888 208 1HD2 LEU 25 2HD2 LEU 25 4.325 -1.519 -0.614 209 2HD2 LEU 25 1HD2 LEU 25 4.422 -0.370 -1.948 210 3HD2 LEU 25 3HD2 LEU 25 5.018 -2.017 -2.157 211 H MET 26 H MET 26 9.181 -1.151 1.859 212 HA MET 26 HA MET 26 9.325 1.826 2.100 213 1HB MET 26 2HB MET 26 11.465 -0.173 2.891 214 2HB MET 26 1HB MET 26 11.393 1.536 3.307 215 1HG MET 26 2HG MET 26 9.264 1.082 4.549 216 2HG MET 26 1HG MET 26 9.504 -0.637 4.245 217 1HE MET 26 1HE MET 26 9.600 -1.630 6.053 218 2HE MET 26 3HE MET 26 11.282 -2.171 5.954 219 3HE MET 26 2HE MET 26 10.664 -1.473 7.449 220 H TYR 27 H TYR 27 9.613 2.555 0.016 221 HA TYR 27 HA TYR 27 11.291 1.115 -1.894 222 1HB TYR 27 2HB TYR 27 10.532 2.640 -3.479 223 2HB TYR 27 1HB TYR 27 9.216 2.708 -2.311 224 HD1 TYR 27 HD1 TYR 27 9.281 4.550 -0.519 225 HD2 TYR 27 HD2 TYR 27 11.794 4.554 -4.002 226 HE1 TYR 27 HE1 TYR 27 9.712 6.973 -0.207 227 HE2 TYR 27 HE2 TYR 27 12.224 6.976 -3.691 228 HH TYR 27 HH TYR 27 10.603 8.966 -2.297 229 H LYS 28 H LYS 28 11.682 3.876 0.275 230 HA LYS 28 HA LYS 28 14.574 3.907 -0.405 231 1HB LYS 28 2HB LYS 28 13.215 5.894 -1.330 232 2HB LYS 28 1HB LYS 28 13.044 6.399 0.351 233 1HG LYS 28 2HG LYS 28 15.781 5.771 -0.010 234 2HG LYS 28 1HG LYS 28 15.305 6.729 -1.413 235 1HD LYS 28 2HD LYS 28 14.418 8.482 0.030 236 2HD LYS 28 1HD LYS 28 14.748 7.510 1.464 237 1HE LYS 28 2HE LYS 28 16.741 8.581 1.535 238 2HE LYS 28 1HE LYS 28 17.199 7.552 0.180 239 1HZ LYS 28 1HZ LYS 28 16.317 9.255 -1.326 240 2HZ LYS 28 3HZ LYS 28 15.976 10.253 0.003 241 3HZ LYS 28 2HZ LYS 28 17.585 9.849 -0.364 242 H GLY 29 H GLY 29 13.472 2.379 1.642 243 1HA GLY 29 2HA GLY 29 13.935 1.914 3.894 244 2HA GLY 29 1HA GLY 29 14.905 3.386 3.945 245 H GLN 30 H GLN 30 11.697 3.858 2.787 246 HA GLN 30 HA GLN 30 10.870 4.850 5.477 247 1HB GLN 30 2HB GLN 30 11.440 6.611 3.708 248 2HB GLN 30 1HB GLN 30 9.998 6.066 2.853 249 1HG GLN 30 2HG GLN 30 8.557 6.871 4.480 250 2HG GLN 30 1HG GLN 30 9.754 6.716 5.765 251 1HE2 GLN 30 2HE2 GLN 30 9.882 10.055 3.357 252 2HE2 GLN 30 1HE2 GLN 30 9.162 8.638 2.762 253 HA PRO 31 HA PRO 31 7.679 1.778 4.693 254 1HB PRO 31 2HB PRO 31 6.538 2.425 7.241 255 2HB PRO 31 1HB PRO 31 7.530 1.019 6.830 256 1HG PRO 31 2HG PRO 31 8.280 3.305 8.429 257 2HG PRO 31 1HG PRO 31 9.253 1.880 8.045 258 1HD PRO 31 2HD PRO 31 9.543 4.551 6.997 259 2HD PRO 31 1HD PRO 31 10.521 3.119 6.620 260 H MET 32 H MET 32 6.179 2.583 3.257 261 HA MET 32 HA MET 32 4.213 4.574 4.275 262 1HB MET 32 2HB MET 32 5.651 4.779 1.608 263 2HB MET 32 1HB MET 32 4.340 5.830 2.144 264 1HG MET 32 2HG MET 32 5.757 6.447 4.138 265 2HG MET 32 1HG MET 32 7.084 5.552 3.398 266 1HE MET 32 3HE MET 32 7.242 5.713 0.791 267 2HE MET 32 2HE MET 32 7.690 7.258 0.073 268 3HE MET 32 1HE MET 32 8.642 6.605 1.404 269 H THR 33 H THR 33 2.817 4.810 1.781 270 HA THR 33 HA THR 33 2.083 2.038 1.051 271 HB THR 33 HB THR 33 0.531 2.649 2.867 272 HG1 THR 33 HG1 THR 33 -0.339 1.457 1.182 273 1HG2 THR 33 3HG2 THR 33 0.716 5.107 2.615 274 2HG2 THR 33 2HG2 THR 33 -0.203 5.009 1.115 275 3HG2 THR 33 1HG2 THR 33 -0.964 4.576 2.643 276 H PHE 34 H PHE 34 1.528 1.896 -1.117 277 HA PHE 34 HA PHE 34 1.419 4.498 -2.601 278 1HB PHE 34 2HB PHE 34 2.495 1.917 -3.742 279 2HB PHE 34 1HB PHE 34 2.740 3.557 -4.337 280 HD1 PHE 34 HD1 PHE 34 3.409 1.390 -1.356 281 HD2 PHE 34 HD2 PHE 34 4.667 4.743 -3.719 282 HE1 PHE 34 HE1 PHE 34 5.453 1.594 0.027 283 HE2 PHE 34 HE2 PHE 34 6.718 4.941 -2.336 284 HZ PHE 34 HZ PHE 34 7.110 3.368 -0.464 285 H ARG 35 H ARG 35 -0.412 4.789 -3.813 286 HA ARG 35 HA ARG 35 -2.056 2.354 -4.395 287 1HB ARG 35 2HB ARG 35 -4.007 3.992 -4.452 288 2HB ARG 35 1HB ARG 35 -3.300 3.703 -2.867 289 1HG ARG 35 2HG ARG 35 -2.198 5.785 -2.849 290 2HG ARG 35 1HG ARG 35 -2.347 5.980 -4.591 291 1HD ARG 35 2HD ARG 35 -3.913 7.464 -3.434 292 2HD ARG 35 1HD ARG 35 -4.795 6.237 -4.346 293 HE ARG 35 HE ARG 35 -4.634 5.085 -1.876 294 1HH1 ARG 35 1HH2 ARG 35 -4.476 8.300 -1.522 295 2HH1 ARG 35 2HH2 ARG 35 -6.080 8.553 -0.918 296 1HH2 ARG 35 2HH1 ARG 35 -7.173 5.355 -1.714 297 2HH2 ARG 35 1HH1 ARG 35 -7.608 6.883 -1.029 298 H LEU 36 H LEU 36 -0.992 5.503 -5.707 299 HA LEU 36 HA LEU 36 -0.749 6.215 -7.927 300 1HB LEU 36 2HB LEU 36 0.300 3.977 -8.276 301 2HB LEU 36 1HB LEU 36 -1.287 3.303 -8.615 302 HG LEU 36 HG LEU 36 -0.493 5.713 -10.175 303 1HD1 LEU 36 1HD1 LEU 36 1.123 3.305 -10.039 304 2HD1 LEU 36 3HD1 LEU 36 0.453 3.519 -11.657 305 3HD1 LEU 36 2HD1 LEU 36 1.425 4.798 -10.929 306 1HD2 LEU 36 3HD2 LEU 36 -2.245 3.327 -10.396 307 2HD2 LEU 36 2HD2 LEU 36 -2.499 4.965 -10.995 308 3HD2 LEU 36 1HD2 LEU 36 -1.484 3.843 -11.900 309 H LEU 37 H LEU 37 -3.104 3.640 -8.617 310 HA LEU 37 HA LEU 37 -5.073 5.716 -9.426 311 1HB LEU 37 2HB LEU 37 -4.392 3.618 -10.852 312 2HB LEU 37 1HB LEU 37 -5.465 2.746 -9.758 313 HG LEU 37 HG LEU 37 -7.045 4.865 -10.362 314 1HD1 LEU 37 3HD1 LEU 37 -5.184 5.637 -11.955 315 2HD1 LEU 37 2HD1 LEU 37 -5.629 4.259 -12.964 316 3HD1 LEU 37 1HD1 LEU 37 -6.808 5.529 -12.635 317 1HD2 LEU 37 1HD2 LEU 37 -6.674 2.250 -11.849 318 2HD2 LEU 37 3HD2 LEU 37 -7.812 2.597 -10.546 319 3HD2 LEU 37 2HD2 LEU 37 -8.042 3.327 -12.135 320 H LEU 38 H LEU 38 -4.336 3.483 -6.910 321 HA LEU 38 HA LEU 38 -5.345 3.057 -4.877 322 1HB LEU 38 2HB LEU 38 -6.089 5.070 -4.193 323 2HB LEU 38 1HB LEU 38 -6.672 5.504 -5.794 324 HG LEU 38 HG LEU 38 -8.662 3.958 -5.340 325 1HD1 LEU 38 1HD1 LEU 38 -7.119 3.659 -2.855 326 2HD1 LEU 38 3HD1 LEU 38 -8.815 4.067 -2.579 327 3HD1 LEU 38 2HD1 LEU 38 -8.393 2.631 -3.517 328 1HD2 LEU 38 1HD2 LEU 38 -8.085 6.516 -3.867 329 2HD2 LEU 38 3HD2 LEU 38 -9.180 6.236 -5.222 330 3HD2 LEU 38 2HD2 LEU 38 -9.618 5.684 -3.605 331 H VAL 39 H VAL 39 -6.382 1.259 -4.425 332 HA VAL 39 HA VAL 39 -7.916 -0.195 -6.320 333 HB VAL 39 HB VAL 39 -6.502 -0.923 -4.223 334 1HG1 VAL 39 3HG1 VAL 39 -8.479 0.367 -2.854 335 2HG1 VAL 39 2HG1 VAL 39 -9.071 -1.293 -2.813 336 3HG1 VAL 39 1HG1 VAL 39 -7.474 -0.912 -2.173 337 1HG2 VAL 39 2HG2 VAL 39 -8.708 -2.155 -5.680 338 2HG2 VAL 39 1HG2 VAL 39 -7.171 -2.855 -5.176 339 3HG2 VAL 39 3HG2 VAL 39 -8.538 -2.836 -4.062 340 H ASP 40 H ASP 40 -10.073 -1.163 -4.621 341 HA ASP 40 HA ASP 40 -11.778 1.177 -4.073 342 1HB ASP 40 2HB ASP 40 -11.923 0.615 -6.568 343 2HB ASP 40 1HB ASP 40 -12.702 -0.890 -6.085 344 H THR 41 H THR 41 -10.963 -0.480 -2.119 345 HA THR 41 HA THR 41 -12.764 -2.739 -1.748 346 HB THR 41 HB THR 41 -11.286 -1.634 0.582 347 HG1 THR 41 HG1 THR 41 -9.966 -2.823 -1.629 348 1HG2 THR 41 3HG2 THR 41 -11.550 -4.358 -0.701 349 2HG2 THR 41 2HG2 THR 41 -10.710 -4.032 0.815 350 3HG2 THR 41 1HG2 THR 41 -12.450 -3.769 0.697 351 HA PRO 42 HA PRO 42 -14.642 0.209 1.610 352 1HB PRO 42 2HB PRO 42 -13.944 2.923 1.027 353 2HB PRO 42 1HB PRO 42 -13.476 1.972 2.444 354 1HG PRO 42 2HG PRO 42 -11.804 2.804 0.239 355 2HG PRO 42 1HG PRO 42 -11.335 1.886 1.677 356 1HD PRO 42 2HD PRO 42 -11.638 0.918 -1.024 357 2HD PRO 42 1HD PRO 42 -11.143 0.007 0.414 358 H GLU 43 H GLU 43 -16.697 0.090 0.752 359 HA GLU 43 HA GLU 43 -17.377 1.965 -1.476 360 1HB GLU 43 2HB GLU 43 -18.103 -0.957 -1.180 361 2HB GLU 43 1HB GLU 43 -18.991 0.131 -2.247 362 1HG GLU 43 2HG GLU 43 -15.986 -0.217 -2.388 363 2HG GLU 43 1HG GLU 43 -17.108 -1.171 -3.356 364 H THR 44 H THR 44 -18.255 3.413 0.090 365 HA THR 44 HA THR 44 -20.012 4.373 1.291 366 HB THR 44 HB THR 44 -21.615 1.948 0.417 367 HG1 THR 44 HG1 THR 44 -21.194 2.793 -1.470 368 1HG2 THR 44 2HG2 THR 44 -22.606 3.344 2.226 369 2HG2 THR 44 1HG2 THR 44 -22.472 4.755 1.177 370 3HG2 THR 44 3HG2 THR 44 -23.536 3.422 0.730 371 H LYS 45 H LYS 45 -19.670 4.366 3.448 372 HA LYS 45 HA LYS 45 -19.423 1.869 4.964 373 1HB LYS 45 2HB LYS 45 -19.237 4.801 5.637 374 2HB LYS 45 1HB LYS 45 -19.361 3.603 6.926 375 1HG LYS 45 2HG LYS 45 -17.388 2.426 6.035 376 2HG LYS 45 1HG LYS 45 -17.262 3.614 4.736 377 1HD LYS 45 2HD LYS 45 -17.023 5.406 6.476 378 2HD LYS 45 1HD LYS 45 -16.981 4.146 7.707 379 1HE LYS 45 2HE LYS 45 -14.713 4.384 7.328 380 2HE LYS 45 1HE LYS 45 -15.085 3.152 6.122 381 1HZ LYS 45 1HZ LYS 45 -15.351 4.910 4.474 382 2HZ LYS 45 3HZ LYS 45 -14.961 6.082 5.637 383 3HZ LYS 45 2HZ LYS 45 -13.796 4.941 5.158 384 H HIS 46 H HIS 46 -21.207 0.776 5.606 385 HA HIS 46 HA HIS 46 -23.803 2.171 5.802 386 1HB HIS 46 2HB HIS 46 -23.016 -0.749 5.994 387 2HB HIS 46 1HB HIS 46 -24.669 -0.173 6.201 388 HD1 HIS 46 HD1 HIS 46 -21.950 -0.498 3.612 389 HD2 HIS 46 HD2 HIS 46 -25.955 0.641 3.810 390 HE1 HIS 46 HE1 HIS 46 -22.753 -0.288 1.221 391 HA PRO 47 HA PRO 47 -23.869 2.703 10.149 392 1HB PRO 47 2HB PRO 47 -26.610 1.864 10.426 393 2HB PRO 47 1HB PRO 47 -25.976 3.515 10.371 394 1HG PRO 47 2HG PRO 47 -27.466 2.133 8.324 395 2HG PRO 47 1HG PRO 47 -26.834 3.784 8.279 396 1HD PRO 47 2HD PRO 47 -25.867 1.487 6.835 397 2HD PRO 47 1HD PRO 47 -25.225 3.142 6.805 398 H LYS 48 H LYS 48 -25.573 -0.236 8.998 399 HA LYS 48 HA LYS 48 -25.226 -1.689 11.477 400 1HB LYS 48 2HB LYS 48 -25.985 -3.643 10.205 401 2HB LYS 48 1HB LYS 48 -26.994 -2.248 9.824 402 1HG LYS 48 2HG LYS 48 -25.136 -1.934 7.908 403 2HG LYS 48 1HG LYS 48 -25.015 -3.681 8.113 404 1HD LYS 48 2HD LYS 48 -27.201 -4.053 7.416 405 2HD LYS 48 1HD LYS 48 -27.736 -2.440 7.885 406 1HE LYS 48 2HE LYS 48 -25.656 -2.535 5.772 407 2HE LYS 48 1HE LYS 48 -27.240 -3.158 5.312 408 1HZ LYS 48 3HZ LYS 48 -28.217 -1.081 6.164 409 2HZ LYS 48 2HZ LYS 48 -26.655 -0.483 6.463 410 3HZ LYS 48 1HZ LYS 48 -27.149 -0.818 4.873 411 H LYS 49 H LYS 49 -23.793 -3.510 11.834 412 HA LYS 49 HA LYS 49 -21.085 -3.045 10.916 413 1HB LYS 49 2HB LYS 49 -22.408 -5.160 12.611 414 2HB LYS 49 1HB LYS 49 -20.725 -5.330 12.113 415 1HG LYS 49 2HG LYS 49 -20.813 -2.714 12.989 416 2HG LYS 49 1HG LYS 49 -21.912 -3.524 14.108 417 1HD LYS 49 2HD LYS 49 -19.215 -4.711 13.468 418 2HD LYS 49 1HD LYS 49 -19.383 -3.467 14.707 419 1HE LYS 49 2HE LYS 49 -20.221 -4.952 16.179 420 2HE LYS 49 1HE LYS 49 -21.434 -5.493 15.019 421 1HZ LYS 49 3HZ LYS 49 -19.740 -6.902 13.990 422 2HZ LYS 49 2HZ LYS 49 -18.612 -6.411 15.160 423 3HZ LYS 49 1HZ LYS 49 -19.981 -7.304 15.619 424 H GLY 50 H GLY 50 -20.042 -3.948 9.196 425 1HA GLY 50 2HA GLY 50 -21.534 -5.940 7.558 426 2HA GLY 50 1HA GLY 50 -20.228 -4.911 6.970 427 H VAL 51 H VAL 51 -18.258 -5.860 6.790 428 HA VAL 51 HA VAL 51 -17.330 -7.861 8.707 429 HB VAL 51 HB VAL 51 -18.744 -9.234 7.190 430 1HG1 VAL 51 2HG1 VAL 51 -18.320 -7.697 5.187 431 2HG1 VAL 51 1HG1 VAL 51 -16.775 -8.527 5.005 432 3HG1 VAL 51 3HG1 VAL 51 -18.284 -9.428 4.858 433 1HG2 VAL 51 3HG2 VAL 51 -16.659 -10.151 8.234 434 2HG2 VAL 51 2HG2 VAL 51 -17.062 -10.928 6.704 435 3HG2 VAL 51 1HG2 VAL 51 -15.778 -9.721 6.768 436 H GLU 52 H GLU 52 -15.106 -7.876 8.770 437 HA GLU 52 HA GLU 52 -13.693 -5.937 7.070 438 1HB GLU 52 2HB GLU 52 -13.298 -6.244 9.575 439 2HB GLU 52 1HB GLU 52 -12.483 -7.754 9.168 440 1HG GLU 52 2HG GLU 52 -11.585 -5.501 7.520 441 2HG GLU 52 1HG GLU 52 -11.290 -5.249 9.240 442 H LYS 53 H LYS 53 -12.574 -6.478 5.262 443 HA LYS 53 HA LYS 53 -11.872 -9.359 4.840 444 1HB LYS 53 2HB LYS 53 -13.702 -8.223 3.351 445 2HB LYS 53 1HB LYS 53 -12.332 -7.435 2.571 446 1HG LYS 53 2HG LYS 53 -11.967 -9.296 1.365 447 2HG LYS 53 1HG LYS 53 -11.657 -10.185 2.856 448 1HD LYS 53 2HD LYS 53 -14.476 -9.659 1.914 449 2HD LYS 53 1HD LYS 53 -13.558 -11.042 1.318 450 1HE LYS 53 2HE LYS 53 -13.574 -10.616 4.267 451 2HE LYS 53 1HE LYS 53 -15.078 -11.175 3.536 452 1HZ LYS 53 2HZ LYS 53 -13.810 -12.967 2.466 453 2HZ LYS 53 1HZ LYS 53 -12.411 -12.458 3.287 454 3HZ LYS 53 3HZ LYS 53 -13.739 -13.050 4.162 455 H TYR 54 H TYR 54 -9.785 -9.792 4.138 456 HA TYR 54 HA TYR 54 -7.785 -7.731 4.537 457 1HB TYR 54 2HB TYR 54 -6.153 -9.450 4.034 458 2HB TYR 54 1HB TYR 54 -7.411 -10.167 5.035 459 HD1 TYR 54 HD1 TYR 54 -9.073 -11.718 4.057 460 HD2 TYR 54 HD2 TYR 54 -5.871 -10.081 1.705 461 HE1 TYR 54 HE1 TYR 54 -9.486 -13.424 2.308 462 HE2 TYR 54 HE2 TYR 54 -6.286 -11.788 -0.046 463 HH TYR 54 HH TYR 54 -8.834 -13.336 -0.536 464 H GLY 55 H GLY 55 -9.219 -9.271 1.670 465 1HA GLY 55 2HA GLY 55 -8.493 -6.997 0.008 466 2HA GLY 55 1HA GLY 55 -7.545 -8.433 -0.378 467 HA PRO 56 HA PRO 56 -12.046 -8.385 -2.158 468 1HB PRO 56 2HB PRO 56 -11.051 -7.390 -4.693 469 2HB PRO 56 1HB PRO 56 -12.281 -6.683 -3.638 470 1HG PRO 56 2HG PRO 56 -9.668 -5.672 -4.071 471 2HG PRO 56 1HG PRO 56 -10.809 -5.137 -2.832 472 1HD PRO 56 2HD PRO 56 -8.385 -6.753 -2.515 473 2HD PRO 56 1HD PRO 56 -9.371 -5.961 -1.269 474 H GLU 57 H GLU 57 -12.124 -9.122 -4.915 475 HA GLU 57 HA GLU 57 -11.162 -11.867 -4.723 476 1HB GLU 57 2HB GLU 57 -12.127 -11.958 -7.141 477 2HB GLU 57 1HB GLU 57 -13.239 -11.737 -5.794 478 1HG GLU 57 2HG GLU 57 -12.237 -9.172 -6.700 479 2HG GLU 57 1HG GLU 57 -12.943 -10.065 -8.044 480 H ALA 58 H ALA 58 -10.759 -9.861 -7.675 481 HA ALA 58 HA ALA 58 -8.331 -11.168 -8.418 482 1HB ALA 58 2HB ALA 58 -9.559 -8.536 -9.275 483 2HB ALA 58 1HB ALA 58 -8.089 -9.189 -10.000 484 3HB ALA 58 3HB ALA 58 -9.607 -10.077 -10.133 485 H SER 59 H SER 59 -8.970 -8.166 -6.637 486 HA SER 59 HA SER 59 -6.272 -7.212 -6.544 487 1HB SER 59 2HB SER 59 -8.787 -6.691 -5.060 488 2HB SER 59 1HB SER 59 -7.294 -6.250 -4.235 489 HG SER 59 HG SER 59 -8.508 -4.836 -6.001 490 H ALA 60 H ALA 60 -7.972 -9.700 -4.704 491 HA ALA 60 HA ALA 60 -6.199 -9.868 -2.460 492 1HB ALA 60 2HB ALA 60 -8.077 -11.766 -3.809 493 2HB ALA 60 1HB ALA 60 -6.913 -12.424 -2.662 494 3HB ALA 60 3HB ALA 60 -8.067 -11.197 -2.141 495 H PHE 61 H PHE 61 -6.051 -11.362 -5.688 496 HA PHE 61 HA PHE 61 -3.639 -12.877 -5.193 497 1HB PHE 61 2HB PHE 61 -4.724 -11.860 -7.842 498 2HB PHE 61 1HB PHE 61 -3.566 -13.173 -7.619 499 HD1 PHE 61 HD1 PHE 61 -4.370 -15.084 -5.944 500 HD2 PHE 61 HD2 PHE 61 -6.983 -12.406 -8.055 501 HE1 PHE 61 HE1 PHE 61 -6.241 -16.687 -5.660 502 HE2 PHE 61 HE2 PHE 61 -8.855 -14.009 -7.772 503 HZ PHE 61 HZ PHE 61 -8.483 -16.149 -6.574 504 H THR 62 H THR 62 -4.341 -9.616 -6.346 505 HA THR 62 HA THR 62 -1.692 -8.886 -7.178 506 HB THR 62 HB THR 62 -3.959 -7.189 -6.070 507 HG1 THR 62 HG1 THR 62 -3.102 -7.768 -8.712 508 1HG2 THR 62 1HG2 THR 62 -1.278 -6.503 -7.227 509 2HG2 THR 62 3HG2 THR 62 -2.645 -5.425 -7.509 510 3HG2 THR 62 2HG2 THR 62 -2.121 -5.773 -5.860 511 H LYS 63 H LYS 63 -3.291 -9.113 -4.068 512 HA LYS 63 HA LYS 63 -1.460 -7.596 -2.468 513 1HB LYS 63 2HB LYS 63 -3.817 -8.966 -2.033 514 2HB LYS 63 1HB LYS 63 -2.640 -9.988 -1.213 515 1HG LYS 63 2HG LYS 63 -2.015 -8.302 0.278 516 2HG LYS 63 1HG LYS 63 -2.599 -7.016 -0.778 517 1HD LYS 63 2HD LYS 63 -4.635 -8.975 0.140 518 2HD LYS 63 1HD LYS 63 -3.988 -7.890 1.372 519 1HE LYS 63 2HE LYS 63 -5.847 -6.731 0.450 520 2HE LYS 63 1HE LYS 63 -4.431 -5.991 -0.291 521 1HZ LYS 63 1HZ LYS 63 -5.878 -8.232 -1.571 522 2HZ LYS 63 3HZ LYS 63 -6.334 -6.617 -1.815 523 3HZ LYS 63 2HZ LYS 63 -4.785 -7.139 -2.280 524 H LYS 64 H LYS 64 -1.376 -10.843 -3.804 525 HA LYS 64 HA LYS 64 0.724 -11.828 -2.084 526 1HB LYS 64 2HB LYS 64 -0.584 -12.760 -4.615 527 2HB LYS 64 1HB LYS 64 0.930 -13.512 -4.110 528 1HG LYS 64 2HG LYS 64 -0.369 -14.840 -2.814 529 2HG LYS 64 1HG LYS 64 -0.496 -13.436 -1.755 530 1HD LYS 64 2HD LYS 64 -2.424 -12.771 -3.475 531 2HD LYS 64 1HD LYS 64 -2.476 -14.517 -3.713 532 1HE LYS 64 2HE LYS 64 -3.970 -14.255 -1.941 533 2HE LYS 64 1HE LYS 64 -2.469 -14.589 -1.080 534 1HZ LYS 64 2HZ LYS 64 -3.477 -11.862 -1.698 535 2HZ LYS 64 1HZ LYS 64 -3.700 -12.652 -0.208 536 3HZ LYS 64 3HZ LYS 64 -2.135 -12.259 -0.732 537 H MET 65 H MET 65 0.690 -10.167 -5.215 538 HA MET 65 HA MET 65 3.556 -10.561 -5.649 539 1HB MET 65 2HB MET 65 1.327 -9.110 -6.990 540 2HB MET 65 1HB MET 65 2.939 -8.432 -7.221 541 1HG MET 65 2HG MET 65 2.384 -10.092 -8.979 542 2HG MET 65 1HG MET 65 3.763 -10.607 -8.007 543 1HE MET 65 2HE MET 65 4.154 -12.376 -7.234 544 2HE MET 65 1HE MET 65 3.205 -12.863 -5.832 545 3HE MET 65 3HE MET 65 3.215 -13.865 -7.289 546 H LEU 66 H LEU 66 3.510 -9.823 -3.151 547 HA LEU 66 HA LEU 66 4.994 -7.423 -2.902 548 1HB LEU 66 2HB LEU 66 2.627 -6.547 -3.395 549 2HB LEU 66 1HB LEU 66 2.190 -7.169 -1.805 550 HG LEU 66 HG LEU 66 4.588 -5.753 -1.417 551 1HD1 LEU 66 3HD1 LEU 66 2.672 -4.384 -3.311 552 2HD1 LEU 66 2HD1 LEU 66 3.801 -3.485 -2.298 553 3HD1 LEU 66 1HD1 LEU 66 4.409 -4.616 -3.506 554 1HD2 LEU 66 1HD2 LEU 66 2.648 -5.967 0.122 555 2HD2 LEU 66 3HD2 LEU 66 3.128 -4.283 -0.088 556 3HD2 LEU 66 2HD2 LEU 66 1.712 -4.906 -0.932 557 H GLU 67 H GLU 67 2.937 -9.900 -1.373 558 HA GLU 67 HA GLU 67 3.948 -9.341 1.314 559 1HB GLU 67 2HB GLU 67 1.907 -10.297 1.617 560 2HB GLU 67 1HB GLU 67 1.937 -11.082 0.046 561 1HG GLU 67 2HG GLU 67 2.054 -12.964 1.344 562 2HG GLU 67 1HG GLU 67 3.774 -12.602 1.313 563 H ASN 68 H ASN 68 4.860 -11.366 -1.382 564 HA ASN 68 HA ASN 68 7.057 -12.499 0.297 565 1HB ASN 68 2HB ASN 68 6.886 -14.592 -1.012 566 2HB ASN 68 1HB ASN 68 5.390 -14.243 -0.149 567 1HD2 ASN 68 2HD2 ASN 68 3.603 -13.397 -3.210 568 2HD2 ASN 68 1HD2 ASN 68 3.706 -12.905 -1.587 569 H ALA 69 H ALA 69 6.647 -10.260 -1.935 570 HA ALA 69 HA ALA 69 8.538 -11.149 -3.990 571 1HB ALA 69 1HB ALA 69 6.576 -9.389 -4.171 572 2HB ALA 69 3HB ALA 69 7.801 -8.267 -3.577 573 3HB ALA 69 2HB ALA 69 8.066 -9.147 -5.082 574 H LYS 70 H LYS 70 10.686 -11.161 -3.662 575 HA LYS 70 HA LYS 70 11.860 -9.649 -1.409 576 1HB LYS 70 2HB LYS 70 12.953 -11.706 -3.345 577 2HB LYS 70 1HB LYS 70 13.989 -10.837 -2.214 578 1HG LYS 70 2HG LYS 70 11.959 -11.655 -0.563 579 2HG LYS 70 1HG LYS 70 12.044 -12.999 -1.703 580 1HD LYS 70 2HD LYS 70 13.774 -13.763 -0.466 581 2HD LYS 70 1HD LYS 70 14.716 -12.445 -1.163 582 1HE LYS 70 2HE LYS 70 12.986 -11.945 1.250 583 2HE LYS 70 1HE LYS 70 14.584 -12.664 1.441 584 1HZ LYS 70 3HZ LYS 70 15.491 -10.774 0.169 585 2HZ LYS 70 2HZ LYS 70 13.947 -10.065 0.153 586 3HZ LYS 70 1HZ LYS 70 14.762 -10.299 1.625 587 H LYS 71 H LYS 71 12.533 -10.030 -4.906 588 HA LYS 71 HA LYS 71 14.060 -7.516 -4.973 589 1HB LYS 71 2HB LYS 71 13.222 -9.558 -7.041 590 2HB LYS 71 1HB LYS 71 13.920 -8.012 -7.523 591 1HG LYS 71 2HG LYS 71 15.367 -9.493 -5.389 592 2HG LYS 71 1HG LYS 71 15.425 -10.201 -7.002 593 1HD LYS 71 2HD LYS 71 15.835 -7.431 -7.368 594 2HD LYS 71 1HD LYS 71 16.832 -7.886 -5.987 595 1HE LYS 71 2HE LYS 71 16.845 -9.661 -8.401 596 2HE LYS 71 1HE LYS 71 17.750 -8.150 -8.464 597 1HZ LYS 71 2HZ LYS 71 18.024 -10.166 -6.299 598 2HZ LYS 71 1HZ LYS 71 19.054 -10.071 -7.648 599 3HZ LYS 71 3HZ LYS 71 18.988 -8.786 -6.542 600 H ILE 72 H ILE 72 13.024 -5.542 -5.164 601 HA ILE 72 HA ILE 72 10.367 -5.534 -6.505 602 HB ILE 72 HB ILE 72 11.200 -3.865 -4.111 603 1HG1 ILE 72 2HG1 ILE 72 9.162 -6.104 -4.233 604 2HG1 ILE 72 1HG1 ILE 72 10.792 -6.299 -3.601 605 1HG2 ILE 72 1HG2 ILE 72 8.723 -3.980 -5.813 606 2HG2 ILE 72 3HG2 ILE 72 8.633 -3.448 -4.133 607 3HG2 ILE 72 2HG2 ILE 72 9.638 -2.568 -5.283 608 1HD1 ILE 72 1HD1 ILE 72 8.715 -4.351 -2.553 609 2HD1 ILE 72 3HD1 ILE 72 9.157 -5.879 -1.792 610 3HD1 ILE 72 2HD1 ILE 72 10.339 -4.575 -1.901 611 H GLU 73 H GLU 73 9.860 -3.390 -7.429 612 HA GLU 73 HA GLU 73 12.164 -1.603 -7.813 613 1HB GLU 73 2HB GLU 73 10.799 -3.112 -10.070 614 2HB GLU 73 1HB GLU 73 11.701 -1.624 -10.344 615 1HG GLU 73 2HG GLU 73 12.815 -4.158 -9.094 616 2HG GLU 73 1HG GLU 73 13.118 -3.611 -10.738 617 H VAL 74 H VAL 74 10.241 -0.829 -6.297 618 HA VAL 74 HA VAL 74 7.737 0.005 -7.127 619 HB VAL 74 HB VAL 74 8.882 2.290 -5.794 620 1HG1 VAL 74 3HG1 VAL 74 6.550 1.302 -5.699 621 2HG1 VAL 74 2HG1 VAL 74 7.209 0.062 -4.632 622 3HG1 VAL 74 1HG1 VAL 74 7.242 1.756 -4.140 623 1HG2 VAL 74 3HG2 VAL 74 9.708 -0.409 -4.696 624 2HG2 VAL 74 2HG2 VAL 74 10.722 1.007 -4.980 625 3HG2 VAL 74 1HG2 VAL 74 9.541 1.016 -3.674 626 H GLU 75 H GLU 75 7.324 0.758 -9.124 627 HA GLU 75 HA GLU 75 9.167 2.702 -10.371 628 1HB GLU 75 2HB GLU 75 6.675 1.390 -11.495 629 2HB GLU 75 1HB GLU 75 7.871 2.311 -12.404 630 1HG GLU 75 2HG GLU 75 9.562 0.567 -11.373 631 2HG GLU 75 1HG GLU 75 8.118 -0.422 -11.195 632 H PHE 76 H PHE 76 8.837 4.755 -9.704 633 HA PHE 76 HA PHE 76 6.047 5.740 -9.352 634 1HB PHE 76 2HB PHE 76 8.668 7.058 -8.554 635 2HB PHE 76 1HB PHE 76 7.058 7.671 -8.201 636 HD1 PHE 76 HD2 PHE 76 6.486 4.336 -7.911 637 HD2 PHE 76 HD1 PHE 76 8.746 7.417 -5.955 638 HE1 PHE 76 HE2 PHE 76 6.437 3.039 -5.816 639 HE2 PHE 76 HE1 PHE 76 8.696 6.113 -3.853 640 HZ PHE 76 HZ PHE 76 7.554 3.915 -3.784 641 H ASP 77 H ASP 77 5.283 6.546 -11.257 642 HA ASP 77 HA ASP 77 6.791 7.280 -13.517 643 1HB ASP 77 2HB ASP 77 4.769 8.313 -14.381 644 2HB ASP 77 1HB ASP 77 4.329 6.847 -13.507 645 H LYS 78 H LYS 78 7.328 9.336 -14.453 646 HA LYS 78 HA LYS 78 8.659 11.189 -12.818 647 1HB LYS 78 2HB LYS 78 8.869 11.055 -15.311 648 2HB LYS 78 1HB LYS 78 7.287 11.815 -15.454 649 1HG LYS 78 2HG LYS 78 8.693 13.667 -15.625 650 2HG LYS 78 1HG LYS 78 8.355 13.653 -13.894 651 1HD LYS 78 2HD LYS 78 10.445 12.428 -13.478 652 2HD LYS 78 1HD LYS 78 10.781 12.393 -15.209 653 1HE LYS 78 2HE LYS 78 12.018 14.254 -14.566 654 2HE LYS 78 1HE LYS 78 10.489 15.011 -15.008 655 1HZ LYS 78 1HZ LYS 78 9.824 14.913 -12.674 656 2HZ LYS 78 3HZ LYS 78 11.322 14.228 -12.264 657 3HZ LYS 78 2HZ LYS 78 11.252 15.812 -12.874 658 H GLY 79 H GLY 79 7.903 12.649 -11.357 659 1HA GLY 79 2HA GLY 79 6.447 14.209 -10.332 660 2HA GLY 79 1HA GLY 79 5.440 14.160 -11.789 661 H GLN 80 H GLN 80 6.112 12.578 -8.721 662 HA GLN 80 HA GLN 80 4.533 10.291 -8.911 663 1HB GLN 80 2HB GLN 80 4.668 10.133 -6.602 664 2HB GLN 80 1HB GLN 80 6.014 11.207 -6.955 665 1HG GLN 80 2HG GLN 80 5.106 12.797 -5.656 666 2HG GLN 80 1HG GLN 80 3.643 12.796 -6.640 667 1HE2 GLN 80 2HE2 GLN 80 3.670 10.855 -3.062 668 2HE2 GLN 80 1HE2 GLN 80 5.077 11.589 -3.662 669 H ARG 81 H ARG 81 2.376 9.807 -8.201 670 HA ARG 81 HA ARG 81 0.430 11.714 -9.209 671 1HB ARG 81 2HB ARG 81 0.573 8.899 -8.649 672 2HB ARG 81 1HB ARG 81 -0.856 9.560 -7.857 673 1HG ARG 81 2HG ARG 81 -0.343 10.483 -10.639 674 2HG ARG 81 1HG ARG 81 -0.850 8.805 -10.447 675 1HD ARG 81 2HD ARG 81 -2.973 9.456 -10.098 676 2HD ARG 81 1HD ARG 81 -2.465 10.460 -8.740 677 HE ARG 81 HE ARG 81 -1.809 11.987 -10.953 678 1HH1 ARG 81 2HH1 ARG 81 -3.957 10.826 -12.532 679 2HH1 ARG 81 1HH1 ARG 81 -5.355 11.734 -12.064 680 1HH2 ARG 81 1HH2 ARG 81 -3.903 12.977 -9.161 681 2HH2 ARG 81 2HH2 ARG 81 -5.325 12.955 -10.149 682 H THR 82 H THR 82 1.276 13.296 -7.347 683 HA THR 82 HA THR 82 0.140 12.836 -4.710 684 HB THR 82 HB THR 82 0.710 15.484 -4.697 685 HG1 THR 82 HG1 THR 82 1.446 15.825 -6.673 686 1HG2 THR 82 3HG2 THR 82 1.881 13.142 -3.748 687 2HG2 THR 82 2HG2 THR 82 3.194 13.973 -4.583 688 3HG2 THR 82 1HG2 THR 82 2.317 14.787 -3.288 689 H ASP 83 H ASP 83 -1.177 14.863 -3.887 690 HA ASP 83 HA ASP 83 -3.025 16.088 -5.739 691 1HB ASP 83 2HB ASP 83 -3.885 13.742 -5.714 692 2HB ASP 83 1HB ASP 83 -4.155 13.890 -3.979 693 H LYS 84 H LYS 84 -4.209 15.045 -2.590 694 HA LYS 84 HA LYS 84 -3.955 17.857 -1.661 695 1HB LYS 84 2HB LYS 84 -6.162 16.205 -1.710 696 2HB LYS 84 1HB LYS 84 -5.596 16.019 -0.050 697 1HG LYS 84 2HG LYS 84 -6.994 17.890 0.115 698 2HG LYS 84 1HG LYS 84 -5.407 18.630 -0.091 699 1HD LYS 84 2HD LYS 84 -6.765 17.995 -2.629 700 2HD LYS 84 1HD LYS 84 -7.607 19.194 -1.645 701 1HE LYS 84 2HE LYS 84 -5.043 20.080 -1.411 702 2HE LYS 84 1HE LYS 84 -4.996 19.387 -3.031 703 1HZ LYS 84 1HZ LYS 84 -6.991 21.362 -2.060 704 2HZ LYS 84 3HZ LYS 84 -5.670 21.712 -3.064 705 3HZ LYS 84 2HZ LYS 84 -6.920 20.708 -3.627 706 H TYR 85 H TYR 85 -3.835 14.544 -0.293 707 HA TYR 85 HA TYR 85 -2.184 15.444 1.952 708 1HB TYR 85 2HB TYR 85 -3.786 13.595 2.258 709 2HB TYR 85 1HB TYR 85 -2.948 12.652 1.027 710 HD1 TYR 85 HD1 TYR 85 -2.361 14.403 4.289 711 HD2 TYR 85 HD2 TYR 85 -1.169 11.243 1.633 712 HE1 TYR 85 HE1 TYR 85 -0.782 13.557 6.004 713 HE2 TYR 85 HE2 TYR 85 0.410 10.398 3.347 714 HH TYR 85 HH TYR 85 0.315 10.856 6.320 715 H GLY 86 H GLY 86 -1.684 14.104 -1.249 716 1HA GLY 86 2HA GLY 86 0.306 13.876 -2.466 717 2HA GLY 86 1HA GLY 86 1.158 14.634 -1.121 718 H ARG 87 H ARG 87 -0.761 11.595 -1.304 719 HA ARG 87 HA ARG 87 1.127 10.162 0.350 720 1HB ARG 87 2HB ARG 87 -1.451 9.735 -0.275 721 2HB ARG 87 1HB ARG 87 -0.713 8.690 -1.484 722 1HG ARG 87 2HG ARG 87 0.539 7.509 0.261 723 2HG ARG 87 1HG ARG 87 -0.130 8.584 1.487 724 1HD ARG 87 2HD ARG 87 -1.473 6.633 1.587 725 2HD ARG 87 1HD ARG 87 -2.437 7.802 0.678 726 HE ARG 87 HE ARG 87 -1.157 6.470 -1.340 727 1HH1 ARG 87 2HH1 ARG 87 -3.846 6.016 0.584 728 2HH1 ARG 87 1HH1 ARG 87 -4.012 4.319 0.282 729 1HH2 ARG 87 1HH2 ARG 87 -0.947 4.035 -1.325 730 2HH2 ARG 87 2HH2 ARG 87 -2.369 3.198 -0.807 731 H VAL 88 H VAL 88 2.025 7.947 -0.662 732 HA VAL 88 HA VAL 88 3.708 8.764 -2.939 733 HB VAL 88 HB VAL 88 3.857 5.973 -1.911 734 1HG1 VAL 88 2HG1 VAL 88 5.756 8.191 -2.689 735 2HG1 VAL 88 1HG1 VAL 88 6.335 6.741 -1.869 736 3HG1 VAL 88 3HG1 VAL 88 5.549 6.610 -3.442 737 1HG2 VAL 88 2HG2 VAL 88 4.405 8.413 -0.211 738 2HG2 VAL 88 1HG2 VAL 88 3.512 6.955 0.223 739 3HG2 VAL 88 3HG2 VAL 88 5.266 6.898 0.052 740 H LEU 89 H LEU 89 1.622 8.885 -4.237 741 HA LEU 89 HA LEU 89 0.223 6.481 -4.931 742 1HB LEU 89 2HB LEU 89 0.431 9.134 -6.360 743 2HB LEU 89 1HB LEU 89 -0.684 7.853 -6.817 744 HG LEU 89 HG LEU 89 -0.937 9.842 -4.717 745 1HD1 LEU 89 3HD1 LEU 89 -2.774 7.690 -5.804 746 2HD1 LEU 89 2HD1 LEU 89 -3.284 9.042 -4.793 747 3HD1 LEU 89 1HD1 LEU 89 -2.636 9.342 -6.405 748 1HD2 LEU 89 3HD2 LEU 89 -1.005 6.935 -3.907 749 2HD2 LEU 89 2HD2 LEU 89 -0.220 8.281 -3.088 750 3HD2 LEU 89 1HD2 LEU 89 -1.977 8.145 -3.075 751 H ALA 90 H ALA 90 1.467 4.842 -5.696 752 HA ALA 90 HA ALA 90 2.453 5.057 -8.430 753 1HB ALA 90 3HB ALA 90 4.282 5.841 -6.628 754 2HB ALA 90 2HB ALA 90 4.552 4.100 -6.555 755 3HB ALA 90 1HB ALA 90 4.717 4.954 -8.088 756 H TYR 91 H TYR 91 3.791 2.800 -8.797 757 HA TYR 91 HA TYR 91 2.149 0.657 -7.530 758 1HB TYR 91 2HB TYR 91 2.870 1.115 -10.391 759 2HB TYR 91 1HB TYR 91 2.675 -0.541 -9.816 760 HD1 TYR 91 HD1 TYR 91 0.572 0.191 -7.626 761 HD2 TYR 91 HD2 TYR 91 0.892 1.120 -11.811 762 HE1 TYR 91 HE1 TYR 91 -1.884 0.467 -7.748 763 HE2 TYR 91 HE2 TYR 91 -1.569 1.392 -11.927 764 HH TYR 91 HH TYR 91 -3.624 0.313 -10.314 765 H ILE 92 H ILE 92 3.126 -1.383 -7.250 766 HA ILE 92 HA ILE 92 6.066 -1.189 -6.852 767 HB ILE 92 HB ILE 92 4.403 -3.476 -5.832 768 1HG1 ILE 92 2HG1 ILE 92 3.076 -1.520 -5.204 769 2HG1 ILE 92 1HG1 ILE 92 3.900 -2.148 -3.779 770 1HG2 ILE 92 3HG2 ILE 92 6.909 -2.012 -5.031 771 2HG2 ILE 92 2HG2 ILE 92 6.045 -3.017 -3.866 772 3HG2 ILE 92 1HG2 ILE 92 6.683 -3.733 -5.346 773 1HD1 ILE 92 2HD1 ILE 92 4.944 0.146 -5.467 774 2HD1 ILE 92 1HD1 ILE 92 4.025 0.350 -3.976 775 3HD1 ILE 92 3HD1 ILE 92 5.605 -0.429 -3.937 776 H TYR 93 H TYR 93 7.436 -2.539 -7.947 777 HA TYR 93 HA TYR 93 6.169 -4.502 -9.810 778 1HB TYR 93 2HB TYR 93 8.530 -2.654 -10.262 779 2HB TYR 93 1HB TYR 93 8.045 -3.931 -11.380 780 HD1 TYR 93 HD1 TYR 93 6.477 -1.084 -9.461 781 HD2 TYR 93 HD2 TYR 93 6.593 -3.362 -13.095 782 HE1 TYR 93 HE1 TYR 93 4.761 0.379 -10.437 783 HE2 TYR 93 HE2 TYR 93 4.878 -1.898 -14.075 784 HH TYR 93 HH TYR 93 2.879 -0.139 -12.569 785 H ALA 94 H ALA 94 6.573 -5.972 -7.928 786 HA ALA 94 HA ALA 94 9.346 -6.961 -7.986 787 1HB ALA 94 3HB ALA 94 8.703 -5.821 -5.842 788 2HB ALA 94 2HB ALA 94 7.461 -7.048 -5.623 789 3HB ALA 94 1HB ALA 94 9.162 -7.508 -5.633 790 H ASP 95 H ASP 95 9.565 -9.171 -8.167 791 HA ASP 95 HA ASP 95 8.963 -11.332 -8.870 792 1HB ASP 95 2HB ASP 95 7.203 -10.717 -6.508 793 2HB ASP 95 1HB ASP 95 7.028 -12.254 -7.355 794 H GLY 96 H GLY 96 8.232 -10.593 -10.981 795 1HA GLY 96 2HA GLY 96 6.386 -11.364 -12.484 796 2HA GLY 96 1HA GLY 96 5.254 -10.719 -11.293 797 H LYS 97 H LYS 97 6.698 -8.295 -10.729 798 HA LYS 97 HA LYS 97 7.038 -6.123 -11.522 799 1HB LYS 97 2HB LYS 97 8.063 -7.705 -13.559 800 2HB LYS 97 1HB LYS 97 6.898 -6.675 -14.392 801 1HG LYS 97 2HG LYS 97 7.968 -4.727 -13.072 802 2HG LYS 97 1HG LYS 97 9.289 -5.849 -12.744 803 1HD LYS 97 2HD LYS 97 9.946 -5.945 -14.968 804 2HD LYS 97 1HD LYS 97 8.334 -5.548 -15.569 805 1HE LYS 97 2HE LYS 97 8.725 -3.242 -14.427 806 2HE LYS 97 1HE LYS 97 10.426 -3.701 -14.430 807 1HZ LYS 97 3HZ LYS 97 10.236 -4.093 -16.837 808 2HZ LYS 97 2HZ LYS 97 8.636 -3.520 -16.793 809 3HZ LYS 97 1HZ LYS 97 9.925 -2.479 -16.415 810 H MET 98 H MET 98 5.470 -4.643 -11.547 811 HA MET 98 HA MET 98 3.520 -3.482 -12.122 812 1HB MET 98 2HB MET 98 4.125 -4.632 -14.473 813 2HB MET 98 1HB MET 98 2.637 -5.511 -14.118 814 1HG MET 98 2HG MET 98 1.401 -3.434 -13.876 815 2HG MET 98 1HG MET 98 2.882 -2.491 -14.045 816 1HE MET 98 2HE MET 98 1.113 -5.519 -15.762 817 2HE MET 98 1HE MET 98 -0.043 -4.192 -15.684 818 3HE MET 98 3HE MET 98 0.544 -4.770 -17.251 819 H VAL 99 H VAL 99 3.722 -6.402 -10.668 820 HA VAL 99 HA VAL 99 2.313 -7.660 -9.338 821 HB VAL 99 HB VAL 99 1.695 -5.010 -8.991 822 1HG1 VAL 99 2HG1 VAL 99 -0.362 -5.532 -10.514 823 2HG1 VAL 99 1HG1 VAL 99 -0.989 -6.385 -9.107 824 3HG1 VAL 99 3HG1 VAL 99 -0.635 -4.661 -9.007 825 1HG2 VAL 99 2HG2 VAL 99 0.540 -7.429 -7.571 826 2HG2 VAL 99 1HG2 VAL 99 2.089 -6.660 -7.229 827 3HG2 VAL 99 3HG2 VAL 99 0.586 -5.795 -6.911 828 H ASN 100 H ASN 100 1.632 -7.201 -12.530 829 HA ASN 100 HA ASN 100 -1.083 -8.314 -12.566 830 1HB ASN 100 2HB ASN 100 -0.921 -8.169 -14.979 831 2HB ASN 100 1HB ASN 100 -0.267 -6.684 -14.294 832 1HD2 ASN 100 2HD2 ASN 100 2.047 -8.691 -16.792 833 2HD2 ASN 100 1HD2 ASN 100 0.352 -8.764 -16.743 834 H GLU 101 H GLU 101 0.276 -10.114 -11.119 835 HA GLU 101 HA GLU 101 1.597 -12.167 -12.681 836 1HB GLU 101 2HB GLU 101 1.647 -11.664 -10.082 837 2HB GLU 101 1HB GLU 101 0.283 -12.782 -10.057 838 1HG GLU 101 2HG GLU 101 2.096 -14.236 -9.789 839 2HG GLU 101 1HG GLU 101 1.844 -14.292 -11.534 840 H ALA 102 H ALA 102 -1.743 -11.627 -11.611 841 HA ALA 102 HA ALA 102 -2.768 -14.218 -12.284 842 1HB ALA 102 2HB ALA 102 -3.943 -12.413 -10.923 843 2HB ALA 102 1HB ALA 102 -4.302 -11.610 -12.453 844 3HB ALA 102 3HB ALA 102 -4.947 -13.221 -12.128 845 H LEU 103 HN LEU 103 -2.635 -15.097 -14.285 846 HA LEU 103 HA LEU 103 -3.082 -13.312 -16.649 847 1HB LEU 103 2HB LEU 103 -0.774 -14.691 -16.096 848 2HB LEU 103 1HB LEU 103 -1.635 -15.846 -17.113 849 HG LEU 103 HG LEU 103 -2.082 -13.668 -18.586 850 1HD1 LEU 103 2HD1 LEU 103 -0.887 -12.231 -16.884 851 2HD1 LEU 103 1HD1 LEU 103 0.603 -13.072 -17.312 852 3HD1 LEU 103 3HD1 LEU 103 -0.243 -12.105 -18.521 853 1HD2 LEU 103 2HD2 LEU 103 -0.854 -15.787 -19.213 854 2HD2 LEU 103 1HD2 LEU 103 -0.212 -14.331 -19.972 855 3HD2 LEU 103 3HD2 LEU 103 0.620 -15.046 -18.591 No H/Q in entry = 855 Start of MODEL 2 Raw file had 866 H/Q atoms Start of MODEL 2 1 1H ALA 1 2H ALA 1 16.886 11.150 -18.265 2 2H ALA 1 1H ALA 1 18.123 9.985 -18.191 3 3H ALA 1 3H ALA 1 18.513 11.626 -18.381 4 HA ALA 1 HA ALA 1 17.499 11.672 -20.556 5 1HB ALA 1 1HB ALA 1 19.467 9.410 -20.102 6 2HB ALA 1 3HB ALA 1 19.072 10.071 -21.688 7 3HB ALA 1 2HB ALA 1 19.856 11.088 -20.478 8 H THR 2 H THR 2 15.386 11.073 -20.943 9 HA THR 2 HA THR 2 13.567 9.720 -21.518 10 HB THR 2 HB THR 2 15.582 7.558 -22.173 11 HG1 THR 2 HG1 THR 2 16.461 8.954 -23.456 12 1HG2 THR 2 2HG2 THR 2 12.820 8.329 -23.051 13 2HG2 THR 2 1HG2 THR 2 13.874 7.473 -24.176 14 3HG2 THR 2 3HG2 THR 2 13.452 6.738 -22.629 15 H SER 3 H SER 3 14.478 9.665 -18.745 16 HA SER 3 HA SER 3 13.056 7.267 -17.875 17 1HB SER 3 2HB SER 3 15.679 6.807 -18.269 18 2HB SER 3 1HB SER 3 15.766 7.480 -16.645 19 HG SER 3 HG SER 3 15.004 5.045 -17.405 20 H THR 4 H THR 4 12.698 10.140 -17.600 21 HA THR 4 HA THR 4 12.553 10.275 -14.642 22 HB THR 4 HB THR 4 13.813 12.469 -16.324 23 HG1 THR 4 HG1 THR 4 15.470 11.202 -16.011 24 1HG2 THR 4 2HG2 THR 4 13.072 12.241 -13.408 25 2HG2 THR 4 1HG2 THR 4 14.336 13.345 -13.951 26 3HG2 THR 4 3HG2 THR 4 12.686 13.537 -14.540 27 H LYS 5 H LYS 5 10.853 11.589 -13.902 28 HA LYS 5 HA LYS 5 8.906 12.885 -13.983 29 1HB LYS 5 2HB LYS 5 10.434 13.940 -16.040 30 2HB LYS 5 1HB LYS 5 8.923 13.516 -16.844 31 1HG LYS 5 2HG LYS 5 7.703 15.052 -15.660 32 2HG LYS 5 1HG LYS 5 8.671 14.849 -14.199 33 1HD LYS 5 2HD LYS 5 10.542 16.076 -15.348 34 2HD LYS 5 1HD LYS 5 9.440 16.402 -16.686 35 1HE LYS 5 2HE LYS 5 7.929 17.612 -15.202 36 2HE LYS 5 1HE LYS 5 8.925 17.201 -13.806 37 1HZ LYS 5 2HZ LYS 5 10.764 18.418 -14.820 38 2HZ LYS 5 1HZ LYS 5 9.770 18.845 -16.131 39 3HZ LYS 5 3HZ LYS 5 9.415 19.424 -14.577 40 H LYS 6 H LYS 6 8.983 9.982 -14.623 41 HA LYS 6 HA LYS 6 6.253 9.798 -15.667 42 1HB LYS 6 2HB LYS 6 7.653 7.744 -17.089 43 2HB LYS 6 1HB LYS 6 6.689 9.060 -17.744 44 1HG LYS 6 2HG LYS 6 8.814 9.344 -18.736 45 2HG LYS 6 1HG LYS 6 8.795 10.520 -17.426 46 1HD LYS 6 2HD LYS 6 10.876 9.469 -17.161 47 2HD LYS 6 1HD LYS 6 9.860 8.615 -16.005 48 1HE LYS 6 2HE LYS 6 11.040 6.916 -17.197 49 2HE LYS 6 1HE LYS 6 9.410 6.920 -17.869 50 1HZ LYS 6 3HZ LYS 6 11.493 8.606 -19.087 51 2HZ LYS 6 2HZ LYS 6 11.446 6.945 -19.442 52 3HZ LYS 6 1HZ LYS 6 10.108 7.930 -19.796 53 H LEU 7 H LEU 7 8.723 7.234 -15.569 54 HA LEU 7 HA LEU 7 7.691 6.248 -12.983 55 1HB LEU 7 2HB LEU 7 7.214 4.934 -15.632 56 2HB LEU 7 1HB LEU 7 7.562 3.902 -14.246 57 HG LEU 7 HG LEU 7 5.728 5.720 -13.229 58 1HD1 LEU 7 1HD1 LEU 7 4.914 4.913 -16.039 59 2HD1 LEU 7 3HD1 LEU 7 3.863 5.692 -14.857 60 3HD1 LEU 7 2HD1 LEU 7 5.260 6.556 -15.499 61 1HD2 LEU 7 2HD2 LEU 7 5.875 3.223 -12.918 62 2HD2 LEU 7 1HD2 LEU 7 4.231 3.815 -13.155 63 3HD2 LEU 7 3HD2 LEU 7 5.088 3.034 -14.484 64 H HIS 8 H HIS 8 9.115 4.612 -12.056 65 HA HIS 8 HA HIS 8 11.559 3.852 -13.460 66 1HB HIS 8 2HB HIS 8 11.712 6.295 -12.294 67 2HB HIS 8 1HB HIS 8 12.170 5.273 -10.933 68 HD1 HIS 8 HD1 HIS 8 13.651 6.956 -13.705 69 HD2 HIS 8 HD2 HIS 8 14.263 3.242 -11.913 70 HE1 HIS 8 HE1 HIS 8 15.951 6.183 -14.426 71 H LYS 9 H LYS 9 12.165 1.926 -12.703 72 HA LYS 9 HA LYS 9 10.741 0.654 -10.516 73 1HB LYS 9 2HB LYS 9 12.487 -1.204 -10.948 74 2HB LYS 9 1HB LYS 9 11.368 -0.823 -12.255 75 1HG LYS 9 2HG LYS 9 12.993 0.203 -13.541 76 2HG LYS 9 1HG LYS 9 13.953 0.677 -12.139 77 1HD LYS 9 2HD LYS 9 15.278 -1.059 -12.862 78 2HD LYS 9 1HD LYS 9 14.146 -1.998 -11.889 79 1HE LYS 9 2HE LYS 9 13.413 -1.436 -14.735 80 2HE LYS 9 1HE LYS 9 14.650 -2.652 -14.422 81 1HZ LYS 9 2HZ LYS 9 13.085 -3.720 -12.863 82 2HZ LYS 9 1HZ LYS 9 11.887 -2.608 -13.332 83 3HZ LYS 9 3HZ LYS 9 12.516 -3.703 -14.465 84 H GLU 10 H GLU 10 11.568 0.021 -8.485 85 HA GLU 10 HA GLU 10 14.294 0.686 -7.677 86 1HB GLU 10 2HB GLU 10 12.673 2.832 -7.569 87 2HB GLU 10 1HB GLU 10 12.219 2.084 -6.037 88 1HG GLU 10 2HG GLU 10 15.134 2.324 -6.684 89 2HG GLU 10 1HG GLU 10 14.269 3.774 -6.174 90 HA PRO 11 HA PRO 11 12.979 -3.044 -5.625 91 1HB PRO 11 2HB PRO 11 15.396 -2.728 -4.003 92 2HB PRO 11 1HB PRO 11 14.957 -4.017 -5.133 93 1HG PRO 11 2HG PRO 11 16.843 -1.976 -5.598 94 2HG PRO 11 1HG PRO 11 16.177 -3.084 -6.803 95 1HD PRO 11 2HD PRO 11 15.682 -0.235 -6.517 96 2HD PRO 11 1HD PRO 11 15.111 -1.331 -7.793 97 H ALA 12 H ALA 12 11.615 -3.161 -4.028 98 HA ALA 12 HA ALA 12 11.708 -1.218 -1.764 99 1HB ALA 12 1HB ALA 12 9.649 -1.818 -3.544 100 2HB ALA 12 3HB ALA 12 9.222 -2.708 -2.085 101 3HB ALA 12 2HB ALA 12 9.478 -0.964 -2.011 102 H THR 13 H THR 13 9.764 -2.858 -0.239 103 HA THR 13 HA THR 13 11.030 -5.461 0.181 104 HB THR 13 HB THR 13 12.672 -4.288 1.407 105 HG1 THR 13 HG1 THR 13 12.088 -5.773 2.829 106 1HG2 THR 13 3HG2 THR 13 11.537 -2.093 1.308 107 2HG2 THR 13 2HG2 THR 13 10.443 -2.612 2.589 108 3HG2 THR 13 1HG2 THR 13 12.164 -2.426 2.922 109 H LEU 14 H LEU 14 9.558 -6.848 1.044 110 HA LEU 14 HA LEU 14 6.837 -6.147 1.409 111 1HB LEU 14 2HB LEU 14 7.799 -8.454 0.937 112 2HB LEU 14 1HB LEU 14 8.264 -8.532 2.634 113 HG LEU 14 HG LEU 14 5.440 -8.071 1.658 114 1HD1 LEU 14 2HD1 LEU 14 6.322 -10.325 1.068 115 2HD1 LEU 14 1HD1 LEU 14 6.714 -10.591 2.767 116 3HD1 LEU 14 3HD1 LEU 14 5.032 -10.409 2.268 117 1HD2 LEU 14 3HD2 LEU 14 6.733 -8.346 4.352 118 2HD2 LEU 14 2HD2 LEU 14 5.449 -7.252 3.840 119 3HD2 LEU 14 1HD2 LEU 14 5.093 -8.953 4.131 120 H ILE 15 H ILE 15 6.130 -4.780 3.014 121 HA ILE 15 HA ILE 15 7.326 -5.172 5.735 122 HB ILE 15 HB ILE 15 6.244 -2.767 6.070 123 1HG1 ILE 15 2HG1 ILE 15 6.889 -2.815 3.102 124 2HG1 ILE 15 1HG1 ILE 15 5.270 -2.674 3.787 125 1HG2 ILE 15 3HG2 ILE 15 8.669 -3.491 6.214 126 2HG2 ILE 15 2HG2 ILE 15 8.818 -3.081 4.505 127 3HG2 ILE 15 1HG2 ILE 15 8.422 -1.828 5.682 128 1HD1 ILE 15 3HD1 ILE 15 6.371 -0.657 5.115 129 2HD1 ILE 15 2HD1 ILE 15 7.498 -0.674 3.761 130 3HD1 ILE 15 1HD1 ILE 15 5.778 -0.431 3.472 131 H LYS 16 H LYS 16 4.314 -4.576 3.930 132 HA LYS 16 HA LYS 16 2.749 -6.343 5.491 133 1HB LYS 16 2HB LYS 16 3.282 -4.114 7.000 134 2HB LYS 16 1HB LYS 16 1.755 -3.669 6.239 135 1HG LYS 16 2HG LYS 16 1.703 -6.429 7.150 136 2HG LYS 16 1HG LYS 16 2.076 -5.327 8.475 137 1HD LYS 16 2HD LYS 16 0.035 -4.267 8.358 138 2HD LYS 16 1HD LYS 16 -0.120 -4.530 6.620 139 1HE LYS 16 2HE LYS 16 -0.413 -7.011 7.157 140 2HE LYS 16 1HE LYS 16 -0.588 -6.527 8.843 141 1HZ LYS 16 1HZ LYS 16 -2.253 -5.544 6.587 142 2HZ LYS 16 3HZ LYS 16 -2.730 -6.703 7.729 143 3HZ LYS 16 2HZ LYS 16 -2.429 -5.104 8.219 144 H ALA 17 H ALA 17 0.416 -6.174 4.957 145 HA ALA 17 HA ALA 17 -0.079 -4.575 2.466 146 1HB ALA 17 1HB ALA 17 -0.660 -7.443 3.133 147 2HB ALA 17 3HB ALA 17 -1.828 -6.573 2.138 148 3HB ALA 17 2HB ALA 17 -0.156 -6.732 1.600 149 H ILE 18 H ILE 18 -1.206 -2.909 3.276 150 HA ILE 18 HA ILE 18 -2.913 -2.838 5.508 151 HB ILE 18 HB ILE 18 -2.861 -1.244 2.945 152 1HG1 ILE 18 2HG1 ILE 18 -2.290 0.206 5.369 153 2HG1 ILE 18 1HG1 ILE 18 -1.312 -1.261 5.330 154 1HG2 ILE 18 3HG2 ILE 18 -4.647 -0.968 5.372 155 2HG2 ILE 18 2HG2 ILE 18 -4.241 0.427 4.373 156 3HG2 ILE 18 1HG2 ILE 18 -5.104 -0.939 3.669 157 1HD1 ILE 18 2HD1 ILE 18 -0.646 -0.656 2.970 158 2HD1 ILE 18 1HD1 ILE 18 -1.466 0.888 3.199 159 3HD1 ILE 18 3HD1 ILE 18 -0.071 0.475 4.195 160 H ASP 19 H ASP 19 -3.580 -3.936 2.217 161 HA ASP 19 HA ASP 19 -5.346 -5.253 1.416 162 1HB ASP 19 2HB ASP 19 -5.412 -5.935 4.007 163 2HB ASP 19 1HB ASP 19 -6.929 -5.039 3.937 164 H GLY 20 H GLY 20 -7.270 -4.747 0.359 165 1HA GLY 20 2HA GLY 20 -9.313 -3.483 0.039 166 2HA GLY 20 1HA GLY 20 -8.698 -2.261 1.154 167 H ASP 21 H ASP 21 -7.403 -0.597 0.350 168 HA ASP 21 HA ASP 21 -6.657 -0.715 -2.536 169 1HB ASP 21 2HB ASP 21 -7.764 1.791 -1.254 170 2HB ASP 21 1HB ASP 21 -7.554 1.443 -2.970 171 H THR 22 H THR 22 -4.828 -1.212 -0.469 172 HA THR 22 HA THR 22 -2.953 0.971 -0.919 173 HB THR 22 HB THR 22 -2.665 1.011 1.779 174 HG1 THR 22 HG1 THR 22 -4.861 1.248 2.567 175 1HG2 THR 22 3HG2 THR 22 -3.185 2.832 -0.107 176 2HG2 THR 22 2HG2 THR 22 -4.767 2.813 0.671 177 3HG2 THR 22 1HG2 THR 22 -3.329 3.209 1.611 178 H VAL 23 H VAL 23 -0.840 0.344 -0.649 179 HA VAL 23 HA VAL 23 -0.219 -2.212 0.740 180 HB VAL 23 HB VAL 23 1.263 -2.888 -1.155 181 1HG1 VAL 23 3HG1 VAL 23 -1.121 -3.711 -0.888 182 2HG1 VAL 23 2HG1 VAL 23 -1.594 -2.499 -2.080 183 3HG1 VAL 23 1HG1 VAL 23 -0.485 -3.794 -2.532 184 1HG2 VAL 23 2HG2 VAL 23 1.503 -0.594 -2.121 185 2HG2 VAL 23 1HG2 VAL 23 1.023 -1.790 -3.324 186 3HG2 VAL 23 3HG2 VAL 23 -0.173 -0.678 -2.660 187 H LYS 24 H LYS 24 1.876 -2.149 1.744 188 HA LYS 24 HA LYS 24 3.265 0.475 1.382 189 1HB LYS 24 2HB LYS 24 4.078 0.111 3.766 190 2HB LYS 24 1HB LYS 24 2.361 0.458 3.583 191 1HG LYS 24 2HG LYS 24 1.755 -1.813 3.920 192 2HG LYS 24 1HG LYS 24 3.415 -2.366 3.707 193 1HD LYS 24 2HD LYS 24 3.449 -2.344 5.989 194 2HD LYS 24 1HD LYS 24 3.740 -0.619 5.769 195 1HE LYS 24 2HE LYS 24 1.451 -0.076 6.126 196 2HE LYS 24 1HE LYS 24 0.943 -1.754 5.931 197 1HZ LYS 24 2HZ LYS 24 2.310 -2.259 7.943 198 2HZ LYS 24 1HZ LYS 24 2.495 -0.585 8.172 199 3HZ LYS 24 3HZ LYS 24 0.950 -1.282 8.236 200 H LEU 25 H LEU 25 5.447 0.528 1.203 201 HA LEU 25 HA LEU 25 7.059 -1.939 1.434 202 1HB LEU 25 2HB LEU 25 6.768 -0.363 -1.144 203 2HB LEU 25 1HB LEU 25 8.054 -1.526 -0.841 204 HG LEU 25 HG LEU 25 5.845 -2.992 -0.170 205 1HD1 LEU 25 2HD1 LEU 25 5.118 -1.118 -2.440 206 2HD1 LEU 25 1HD1 LEU 25 4.270 -2.628 -2.114 207 3HD1 LEU 25 3HD1 LEU 25 4.251 -1.333 -0.920 208 1HD2 LEU 25 1HD2 LEU 25 7.439 -2.649 -2.693 209 2HD2 LEU 25 3HD2 LEU 25 7.482 -3.971 -1.526 210 3HD2 LEU 25 2HD2 LEU 25 6.121 -3.818 -2.638 211 H MET 26 H MET 26 9.080 -1.396 2.195 212 HA MET 26 HA MET 26 9.649 1.452 2.640 213 1HB MET 26 2HB MET 26 10.703 -1.130 3.656 214 2HB MET 26 1HB MET 26 11.872 0.184 3.554 215 1HG MET 26 2HG MET 26 10.594 1.579 4.989 216 2HG MET 26 1HG MET 26 9.160 0.564 4.826 217 1HE MET 26 3HE MET 26 12.459 1.285 6.361 218 2HE MET 26 2HE MET 26 11.160 1.652 7.493 219 3HE MET 26 1HE MET 26 12.359 0.428 7.905 220 H TYR 27 H TYR 27 9.790 1.893 0.287 221 HA TYR 27 HA TYR 27 12.015 0.771 -1.238 222 1HB TYR 27 2HB TYR 27 11.277 2.161 -3.030 223 2HB TYR 27 1HB TYR 27 9.805 1.666 -2.197 224 HD1 TYR 27 HD2 TYR 27 8.732 3.246 -0.537 225 HD2 TYR 27 HD1 TYR 27 11.923 4.444 -3.145 226 HE1 TYR 27 HE2 TYR 27 8.190 5.624 -0.109 227 HE2 TYR 27 HE1 TYR 27 11.381 6.823 -2.717 228 HH TYR 27 HH TYR 27 10.244 8.142 -0.846 229 H LYS 28 H LYS 28 11.403 3.778 0.570 230 HA LYS 28 HA LYS 28 14.232 4.574 0.113 231 1HB LYS 28 2HB LYS 28 12.350 6.156 -0.602 232 2HB LYS 28 1HB LYS 28 12.011 6.367 1.113 233 1HG LYS 28 2HG LYS 28 14.835 6.656 0.685 234 2HG LYS 28 1HG LYS 28 13.978 7.695 -0.454 235 1HD LYS 28 2HD LYS 28 13.141 7.628 2.435 236 2HD LYS 28 1HD LYS 28 14.520 8.607 1.942 237 1HE LYS 28 2HE LYS 28 11.867 8.790 0.511 238 2HE LYS 28 1HE LYS 28 12.205 9.753 1.949 239 1HZ LYS 28 1HZ LYS 28 14.201 10.600 0.818 240 2HZ LYS 28 3HZ LYS 28 13.758 9.752 -0.581 241 3HZ LYS 28 2HZ LYS 28 12.769 11.004 0.000 242 H GLY 29 H GLY 29 13.402 2.572 2.041 243 1HA GLY 29 2HA GLY 29 13.981 2.014 4.244 244 2HA GLY 29 1HA GLY 29 14.738 3.600 4.388 245 H GLN 30 H GLN 30 11.472 3.693 3.318 246 HA GLN 30 HA GLN 30 10.441 4.050 6.075 247 1HB GLN 30 2HB GLN 30 9.180 6.130 5.068 248 2HB GLN 30 1HB GLN 30 10.834 6.312 5.645 249 1HG GLN 30 2HG GLN 30 11.720 6.173 3.415 250 2HG GLN 30 1HG GLN 30 10.161 5.675 2.761 251 1HE2 GLN 30 2HE2 GLN 30 9.420 9.037 2.024 252 2HE2 GLN 30 1HE2 GLN 30 9.448 7.422 1.503 253 HA PRO 31 HA PRO 31 7.205 1.581 4.345 254 1HB PRO 31 2HB PRO 31 5.424 2.335 6.469 255 2HB PRO 31 1HB PRO 31 6.350 0.837 6.312 256 1HG PRO 31 2HG PRO 31 6.822 3.016 8.143 257 2HG PRO 31 1HG PRO 31 7.734 1.509 7.989 258 1HD PRO 31 2HD PRO 31 8.545 4.157 7.178 259 2HD PRO 31 1HD PRO 31 9.460 2.643 7.035 260 H MET 32 H MET 32 6.181 2.438 2.581 261 HA MET 32 HA MET 32 4.647 4.985 2.916 262 1HB MET 32 2HB MET 32 6.394 3.916 0.812 263 2HB MET 32 1HB MET 32 4.856 4.514 0.190 264 1HG MET 32 2HG MET 32 6.525 6.319 0.242 265 2HG MET 32 1HG MET 32 5.218 6.655 1.378 266 1HE MET 32 3HE MET 32 5.325 6.726 3.792 267 2HE MET 32 2HE MET 32 6.816 7.277 4.552 268 3HE MET 32 1HE MET 32 6.179 8.139 3.155 269 H THR 33 H THR 33 3.001 4.832 0.715 270 HA THR 33 HA THR 33 1.526 2.272 0.841 271 HB THR 33 HB THR 33 0.319 3.361 2.541 272 HG1 THR 33 HG1 THR 33 -1.083 2.723 0.888 273 1HG2 THR 33 1HG2 THR 33 1.514 5.558 2.203 274 2HG2 THR 33 3HG2 THR 33 0.348 5.929 0.934 275 3HG2 THR 33 2HG2 THR 33 -0.196 5.714 2.598 276 H PHE 34 H PHE 34 1.749 1.820 -1.321 277 HA PHE 34 HA PHE 34 1.297 4.002 -3.287 278 1HB PHE 34 2HB PHE 34 2.189 1.247 -4.072 279 2HB PHE 34 1HB PHE 34 2.585 2.798 -4.808 280 HD1 PHE 34 HD2 PHE 34 3.325 0.493 -2.017 281 HD2 PHE 34 HD1 PHE 34 4.351 4.198 -3.919 282 HE1 PHE 34 HE2 PHE 34 5.411 0.604 -0.692 283 HE2 PHE 34 HE1 PHE 34 6.443 4.306 -2.594 284 HZ PHE 34 HZ PHE 34 6.973 2.505 -0.976 285 H ARG 35 H ARG 35 -0.980 4.125 -3.394 286 HA ARG 35 HA ARG 35 -2.202 2.119 -5.082 287 1HB ARG 35 2HB ARG 35 -2.303 1.391 -2.509 288 2HB ARG 35 1HB ARG 35 -3.734 2.421 -2.565 289 1HG ARG 35 2HG ARG 35 -4.786 0.578 -3.370 290 2HG ARG 35 1HG ARG 35 -3.984 0.983 -4.885 291 1HD ARG 35 2HD ARG 35 -2.338 -0.554 -2.969 292 2HD ARG 35 1HD ARG 35 -3.718 -1.421 -3.636 293 HE ARG 35 HE ARG 35 -2.487 -0.183 -5.826 294 1HH1 ARG 35 1HH2 ARG 35 -2.643 -3.200 -4.761 295 2HH1 ARG 35 2HH2 ARG 35 -1.004 -3.664 -5.069 296 1HH2 ARG 35 2HH1 ARG 35 0.088 -0.408 -5.626 297 2HH2 ARG 35 1HH1 ARG 35 0.549 -2.076 -5.563 298 H LEU 36 H LEU 36 -3.628 3.049 -6.326 299 HA LEU 36 HA LEU 36 -5.778 4.667 -5.883 300 1HB LEU 36 2HB LEU 36 -3.523 6.221 -5.172 301 2HB LEU 36 1HB LEU 36 -4.026 6.816 -6.750 302 HG LEU 36 HG LEU 36 -5.242 8.064 -5.073 303 1HD1 LEU 36 2HD1 LEU 36 -6.444 7.085 -7.158 304 2HD1 LEU 36 1HD1 LEU 36 -7.230 5.999 -6.011 305 3HD1 LEU 36 3HD1 LEU 36 -7.441 7.744 -5.861 306 1HD2 LEU 36 3HD2 LEU 36 -5.878 5.321 -3.964 307 2HD2 LEU 36 2HD2 LEU 36 -5.106 6.675 -3.141 308 3HD2 LEU 36 1HD2 LEU 36 -6.823 6.746 -3.534 309 H LEU 37 H LEU 37 -2.827 4.952 -7.884 310 HA LEU 37 HA LEU 37 -4.387 5.198 -10.358 311 1HB LEU 37 2HB LEU 37 -1.673 5.659 -9.561 312 2HB LEU 37 1HB LEU 37 -1.656 4.473 -10.866 313 HG LEU 37 HG LEU 37 -3.405 6.894 -11.140 314 1HD1 LEU 37 3HD1 LEU 37 -0.401 6.804 -11.526 315 2HD1 LEU 37 2HD1 LEU 37 -1.437 8.036 -12.250 316 3HD1 LEU 37 1HD1 LEU 37 -1.314 7.905 -10.495 317 1HD2 LEU 37 2HD2 LEU 37 -3.090 4.769 -12.720 318 2HD2 LEU 37 1HD2 LEU 37 -3.318 6.381 -13.399 319 3HD2 LEU 37 3HD2 LEU 37 -1.697 5.692 -13.287 320 H LEU 38 H LEU 38 -2.589 2.733 -8.574 321 HA LEU 38 HA LEU 38 -2.923 0.664 -10.605 322 1HB LEU 38 2HB LEU 38 -1.060 0.744 -8.859 323 2HB LEU 38 1HB LEU 38 -2.270 0.316 -7.656 324 HG LEU 38 HG LEU 38 -0.859 -1.593 -8.722 325 1HD1 LEU 38 3HD1 LEU 38 -3.145 -1.647 -7.408 326 2HD1 LEU 38 2HD1 LEU 38 -3.801 -2.106 -8.978 327 3HD1 LEU 38 1HD1 LEU 38 -2.554 -3.096 -8.221 328 1HD2 LEU 38 3HD2 LEU 38 -1.263 -0.770 -11.073 329 2HD2 LEU 38 2HD2 LEU 38 -1.666 -2.467 -10.826 330 3HD2 LEU 38 1HD2 LEU 38 -2.948 -1.260 -10.896 331 H VAL 39 H VAL 39 -4.101 0.743 -7.213 332 HA VAL 39 HA VAL 39 -6.457 -0.839 -7.968 333 HB VAL 39 HB VAL 39 -5.492 0.303 -5.321 334 1HG1 VAL 39 1HG1 VAL 39 -8.103 -0.986 -6.078 335 2HG1 VAL 39 3HG1 VAL 39 -7.421 -1.274 -4.478 336 3HG1 VAL 39 2HG1 VAL 39 -7.806 0.369 -4.989 337 1HG2 VAL 39 1HG2 VAL 39 -5.725 -2.475 -6.515 338 2HG2 VAL 39 3HG2 VAL 39 -4.257 -1.643 -6.006 339 3HG2 VAL 39 2HG2 VAL 39 -5.420 -2.189 -4.802 340 H ASP 40 H ASP 40 -7.855 0.387 -9.188 341 HA ASP 40 HA ASP 40 -8.552 3.129 -8.266 342 1HB ASP 40 2HB ASP 40 -8.018 2.238 -10.775 343 2HB ASP 40 1HB ASP 40 -9.769 2.034 -10.747 344 H THR 41 H THR 41 -9.469 0.824 -6.771 345 HA THR 41 HA THR 41 -12.253 0.325 -7.439 346 HB THR 41 HB THR 41 -10.482 -0.376 -5.095 347 HG1 THR 41 HG1 THR 41 -10.079 -1.704 -6.738 348 1HG2 THR 41 2HG2 THR 41 -13.439 -0.731 -5.463 349 2HG2 THR 41 1HG2 THR 41 -12.507 -1.922 -4.555 350 3HG2 THR 41 3HG2 THR 41 -12.550 -0.242 -4.020 351 HA PRO 42 HA PRO 42 -12.868 3.172 -3.541 352 1HB PRO 42 2HB PRO 42 -10.748 5.070 -3.389 353 2HB PRO 42 1HB PRO 42 -11.110 3.773 -2.243 354 1HG PRO 42 2HG PRO 42 -8.908 3.936 -4.122 355 2HG PRO 42 1HG PRO 42 -9.219 2.697 -2.902 356 1HD PRO 42 2HD PRO 42 -9.537 2.482 -5.752 357 2HD PRO 42 1HD PRO 42 -9.862 1.240 -4.529 358 H GLU 43 H GLU 43 -14.473 4.200 -4.730 359 HA GLU 43 HA GLU 43 -13.986 6.884 -5.693 360 1HB GLU 43 2HB GLU 43 -14.726 6.411 -8.076 361 2HB GLU 43 1HB GLU 43 -13.110 5.838 -7.670 362 1HG GLU 43 2HG GLU 43 -13.898 3.576 -7.394 363 2HG GLU 43 1HG GLU 43 -15.582 4.089 -7.526 364 H THR 44 H THR 44 -15.779 5.476 -3.859 365 HA THR 44 HA THR 44 -18.319 6.653 -4.770 366 HB THR 44 HB THR 44 -19.537 4.471 -4.118 367 HG1 THR 44 HG1 THR 44 -18.145 3.080 -3.364 368 1HG2 THR 44 1HG2 THR 44 -19.017 5.444 -6.490 369 2HG2 THR 44 3HG2 THR 44 -17.871 4.107 -6.589 370 3HG2 THR 44 2HG2 THR 44 -19.587 3.781 -6.348 371 H LYS 45 H LYS 45 -16.953 7.758 -2.832 372 HA LYS 45 HA LYS 45 -17.722 6.582 -0.216 373 1HB LYS 45 2HB LYS 45 -15.791 8.701 -1.109 374 2HB LYS 45 1HB LYS 45 -16.368 8.707 0.558 375 1HG LYS 45 2HG LYS 45 -14.400 7.380 0.610 376 2HG LYS 45 1HG LYS 45 -15.725 6.217 0.616 377 1HD LYS 45 2HD LYS 45 -14.769 5.264 -1.194 378 2HD LYS 45 1HD LYS 45 -15.228 6.704 -2.101 379 1HE LYS 45 2HE LYS 45 -12.739 6.825 -0.449 380 2HE LYS 45 1HE LYS 45 -12.687 5.920 -1.961 381 1HZ LYS 45 3HZ LYS 45 -13.574 7.892 -3.092 382 2HZ LYS 45 2HZ LYS 45 -13.512 8.755 -1.629 383 3HZ LYS 45 1HZ LYS 45 -12.079 8.199 -2.353 384 H HIS 46 H HIS 46 -18.597 9.195 -2.376 385 HA HIS 46 HA HIS 46 -20.033 10.724 -0.345 386 1HB HIS 46 2HB HIS 46 -19.075 11.307 -2.867 387 2HB HIS 46 1HB HIS 46 -20.814 11.184 -3.142 388 HD1 HIS 46 HD1 HIS 46 -18.278 13.084 -1.082 389 HD2 HIS 46 HD2 HIS 46 -22.338 13.254 -2.013 390 HE1 HIS 46 HE1 HIS 46 -19.127 15.295 -0.183 391 HA PRO 47 HA PRO 47 -23.874 8.767 -2.482 392 1HB PRO 47 2HB PRO 47 -23.248 6.611 -4.195 393 2HB PRO 47 1HB PRO 47 -23.726 8.241 -4.690 394 1HG PRO 47 2HG PRO 47 -21.108 6.987 -4.906 395 2HG PRO 47 1HG PRO 47 -21.636 8.551 -5.543 396 1HD PRO 47 2HD PRO 47 -19.959 8.040 -3.246 397 2HD PRO 47 1HD PRO 47 -20.451 9.607 -3.915 398 H LYS 48 H LYS 48 -22.293 7.806 -0.183 399 HA LYS 48 HA LYS 48 -22.279 6.081 1.391 400 1HB LYS 48 2HB LYS 48 -24.733 5.313 -0.217 401 2HB LYS 48 1HB LYS 48 -24.268 4.523 1.288 402 1HG LYS 48 2HG LYS 48 -24.179 7.358 1.700 403 2HG LYS 48 1HG LYS 48 -25.730 6.951 0.962 404 1HD LYS 48 2HD LYS 48 -24.911 5.067 3.065 405 2HD LYS 48 1HD LYS 48 -25.144 6.713 3.651 406 1HE LYS 48 2HE LYS 48 -27.381 6.772 2.606 407 2HE LYS 48 1HE LYS 48 -27.152 5.122 2.026 408 1HZ LYS 48 1HZ LYS 48 -27.137 5.963 4.875 409 2HZ LYS 48 3HZ LYS 48 -28.423 5.188 4.086 410 3HZ LYS 48 2HZ LYS 48 -26.949 4.374 4.304 411 H LYS 49 H LYS 49 -22.698 3.376 1.290 412 HA LYS 49 HA LYS 49 -20.475 2.488 -0.398 413 1HB LYS 49 2HB LYS 49 -20.919 0.251 0.662 414 2HB LYS 49 1HB LYS 49 -20.632 1.540 1.829 415 1HG LYS 49 2HG LYS 49 -22.636 1.157 2.774 416 2HG LYS 49 1HG LYS 49 -23.439 1.468 1.236 417 1HD LYS 49 2HD LYS 49 -22.478 -1.018 0.754 418 2HD LYS 49 1HD LYS 49 -22.712 -1.117 2.500 419 1HE LYS 49 2HE LYS 49 -25.032 0.106 1.750 420 2HE LYS 49 1HE LYS 49 -24.721 -0.904 0.338 421 1HZ LYS 49 3HZ LYS 49 -24.755 -1.864 3.149 422 2HZ LYS 49 2HZ LYS 49 -26.024 -2.055 2.035 423 3HZ LYS 49 1HZ LYS 49 -24.532 -2.821 1.765 424 H GLY 50 H GLY 50 -20.905 2.213 -2.535 425 1HA GLY 50 2HA GLY 50 -23.259 0.533 -3.280 426 2HA GLY 50 1HA GLY 50 -22.960 2.044 -4.138 427 H VAL 51 H VAL 51 -20.776 -0.570 -3.037 428 HA VAL 51 HA VAL 51 -20.095 -1.182 -5.855 429 HB VAL 51 HB VAL 51 -17.593 -1.129 -5.057 430 1HG1 VAL 51 3HG1 VAL 51 -18.655 0.305 -6.818 431 2HG1 VAL 51 2HG1 VAL 51 -19.067 1.473 -5.560 432 3HG1 VAL 51 1HG1 VAL 51 -17.376 1.128 -5.925 433 1HG2 VAL 51 3HG2 VAL 51 -18.284 -0.581 -2.673 434 2HG2 VAL 51 2HG2 VAL 51 -17.085 0.511 -3.366 435 3HG2 VAL 51 1HG2 VAL 51 -18.773 1.010 -3.258 436 H GLU 52 H GLU 52 -19.941 -3.355 -6.079 437 HA GLU 52 HA GLU 52 -19.836 -5.023 -3.634 438 1HB GLU 52 2HB GLU 52 -20.521 -5.587 -6.526 439 2HB GLU 52 1HB GLU 52 -20.320 -6.879 -5.344 440 1HG GLU 52 2HG GLU 52 -22.162 -4.547 -4.812 441 2HG GLU 52 1HG GLU 52 -22.713 -5.958 -5.713 442 H LYS 53 H LYS 53 -17.532 -4.532 -3.258 443 HA LYS 53 HA LYS 53 -15.807 -6.534 -4.506 444 1HB LYS 53 2HB LYS 53 -15.852 -4.307 -5.954 445 2HB LYS 53 1HB LYS 53 -14.736 -3.743 -4.709 446 1HG LYS 53 2HG LYS 53 -13.378 -5.838 -5.101 447 2HG LYS 53 1HG LYS 53 -14.414 -6.176 -6.487 448 1HD LYS 53 2HD LYS 53 -13.494 -4.507 -7.752 449 2HD LYS 53 1HD LYS 53 -13.278 -3.437 -6.368 450 1HE LYS 53 2HE LYS 53 -11.229 -4.360 -5.796 451 2HE LYS 53 1HE LYS 53 -11.613 -5.922 -6.520 452 1HZ LYS 53 3HZ LYS 53 -11.249 -3.467 -8.138 453 2HZ LYS 53 2HZ LYS 53 -9.958 -4.502 -7.747 454 3HZ LYS 53 1HZ LYS 53 -11.264 -5.080 -8.668 455 H TYR 54 H TYR 54 -15.002 -7.373 -2.650 456 HA TYR 54 HA TYR 54 -14.172 -5.518 -0.462 457 1HB TYR 54 2HB TYR 54 -15.789 -7.623 -0.212 458 2HB TYR 54 1HB TYR 54 -14.259 -8.492 -0.110 459 HD1 TYR 54 HD2 TYR 54 -16.383 -5.913 1.462 460 HD2 TYR 54 HD1 TYR 54 -12.752 -8.189 1.771 461 HE1 TYR 54 HE2 TYR 54 -16.135 -5.196 3.822 462 HE2 TYR 54 HE1 TYR 54 -12.505 -7.472 4.132 463 HH TYR 54 HH TYR 54 -14.653 -6.507 5.994 464 H GLY 55 H GLY 55 -13.076 -8.420 -2.242 465 1HA GLY 55 2HA GLY 55 -10.562 -7.819 -2.990 466 2HA GLY 55 1HA GLY 55 -10.317 -8.044 -1.256 467 HA PRO 56 HA PRO 56 -11.804 -12.279 -3.079 468 1HB PRO 56 2HB PRO 56 -11.437 -12.305 -5.897 469 2HB PRO 56 1HB PRO 56 -12.979 -12.275 -5.031 470 1HG PRO 56 2HG PRO 56 -11.759 -10.147 -6.572 471 2HG PRO 56 1HG PRO 56 -13.336 -10.151 -5.771 472 1HD PRO 56 2HD PRO 56 -10.911 -8.798 -4.944 473 2HD PRO 56 1HD PRO 56 -12.516 -8.735 -4.190 474 H GLU 57 H GLU 57 -10.459 -13.846 -4.958 475 HA GLU 57 HA GLU 57 -7.709 -13.719 -3.952 476 1HB GLU 57 2HB GLU 57 -9.397 -15.761 -4.892 477 2HB GLU 57 1HB GLU 57 -8.104 -15.641 -6.087 478 1HG GLU 57 2HG GLU 57 -6.411 -15.886 -4.383 479 2HG GLU 57 1HG GLU 57 -7.620 -15.788 -3.102 480 H ALA 58 H ALA 58 -9.365 -13.315 -7.084 481 HA ALA 58 HA ALA 58 -7.095 -12.957 -8.744 482 1HB ALA 58 1HB ALA 58 -9.490 -13.117 -9.520 483 2HB ALA 58 3HB ALA 58 -9.719 -11.455 -8.980 484 3HB ALA 58 2HB ALA 58 -8.579 -11.811 -10.279 485 H SER 59 H SER 59 -8.935 -10.546 -6.853 486 HA SER 59 HA SER 59 -7.179 -8.344 -7.573 487 1HB SER 59 2HB SER 59 -9.654 -8.319 -6.660 488 2HB SER 59 1HB SER 59 -8.866 -8.342 -5.086 489 HG SER 59 HG SER 59 -9.224 -6.286 -6.711 490 H ALA 60 H ALA 60 -7.296 -10.724 -4.954 491 HA ALA 60 HA ALA 60 -5.441 -9.432 -3.185 492 1HB ALA 60 3HB ALA 60 -6.105 -12.362 -3.593 493 2HB ALA 60 2HB ALA 60 -5.083 -11.760 -2.289 494 3HB ALA 60 1HB ALA 60 -6.779 -11.281 -2.372 495 H PHE 61 H PHE 61 -5.013 -11.553 -5.994 496 HA PHE 61 HA PHE 61 -2.250 -12.140 -5.701 497 1HB PHE 61 2HB PHE 61 -3.761 -11.648 -8.289 498 2HB PHE 61 1HB PHE 61 -2.236 -12.514 -8.130 499 HD1 PHE 61 HD2 PHE 61 -2.915 -13.976 -5.509 500 HD2 PHE 61 HD1 PHE 61 -5.108 -13.420 -9.164 501 HE1 PHE 61 HE2 PHE 61 -4.159 -16.078 -5.083 502 HE2 PHE 61 HE1 PHE 61 -6.349 -15.523 -8.737 503 HZ PHE 61 HZ PHE 61 -5.876 -16.850 -6.698 504 H THR 62 H THR 62 -3.832 -9.388 -7.354 505 HA THR 62 HA THR 62 -1.412 -8.105 -8.198 506 HB THR 62 HB THR 62 -3.526 -6.196 -7.609 507 HG1 THR 62 HG1 THR 62 -4.236 -8.375 -9.275 508 1HG2 THR 62 1HG2 THR 62 -2.348 -7.283 -10.175 509 2HG2 THR 62 3HG2 THR 62 -3.367 -5.849 -10.051 510 3HG2 THR 62 2HG2 THR 62 -1.778 -5.870 -9.286 511 H LYS 63 H LYS 63 -3.301 -7.836 -5.183 512 HA LYS 63 HA LYS 63 -1.676 -5.650 -4.152 513 1HB LYS 63 2HB LYS 63 -3.130 -5.617 -2.377 514 2HB LYS 63 1HB LYS 63 -4.136 -6.520 -3.506 515 1HG LYS 63 2HG LYS 63 -3.169 -8.642 -2.528 516 2HG LYS 63 1HG LYS 63 -2.403 -7.649 -1.292 517 1HD LYS 63 2HD LYS 63 -4.584 -6.818 -0.562 518 2HD LYS 63 1HD LYS 63 -5.384 -7.721 -1.848 519 1HE LYS 63 2HE LYS 63 -5.622 -9.105 0.057 520 2HE LYS 63 1HE LYS 63 -4.265 -9.810 -0.819 521 1HZ LYS 63 3HZ LYS 63 -4.053 -7.908 1.454 522 2HZ LYS 63 2HZ LYS 63 -3.779 -9.583 1.537 523 3HZ LYS 63 1HZ LYS 63 -2.748 -8.596 0.616 524 H LYS 64 H LYS 64 -1.447 -9.130 -4.118 525 HA LYS 64 HA LYS 64 0.496 -9.237 -1.941 526 1HB LYS 64 2HB LYS 64 -0.840 -11.199 -3.742 527 2HB LYS 64 1HB LYS 64 0.732 -11.658 -3.084 528 1HG LYS 64 2HG LYS 64 -0.189 -12.086 -1.080 529 2HG LYS 64 1HG LYS 64 -0.843 -10.451 -1.002 530 1HD LYS 64 2HD LYS 64 -2.912 -11.257 -1.336 531 2HD LYS 64 1HD LYS 64 -2.402 -11.920 -2.887 532 1HE LYS 64 2HE LYS 64 -1.335 -13.795 -1.307 533 2HE LYS 64 1HE LYS 64 -2.635 -13.270 -0.237 534 1HZ LYS 64 1HZ LYS 64 -2.999 -14.084 -3.070 535 2HZ LYS 64 3HZ LYS 64 -3.300 -15.083 -1.731 536 3HZ LYS 64 2HZ LYS 64 -4.229 -13.680 -1.968 537 H MET 65 H MET 65 0.851 -7.840 -4.784 538 HA MET 65 HA MET 65 2.958 -9.047 -6.190 539 1HB MET 65 2HB MET 65 3.312 -6.911 -7.169 540 2HB MET 65 1HB MET 65 1.600 -6.951 -6.761 541 1HG MET 65 2HG MET 65 2.982 -5.984 -4.468 542 2HG MET 65 1HG MET 65 3.605 -5.100 -5.856 543 1HE MET 65 2HE MET 65 1.762 -5.163 -7.819 544 2HE MET 65 1HE MET 65 0.166 -4.443 -7.634 545 3HE MET 65 3HE MET 65 1.613 -3.431 -7.531 546 H LEU 66 H LEU 66 3.017 -7.459 -3.086 547 HA LEU 66 HA LEU 66 5.992 -7.728 -3.020 548 1HB LEU 66 2HB LEU 66 5.983 -5.855 -1.398 549 2HB LEU 66 1HB LEU 66 5.293 -5.373 -2.947 550 HG LEU 66 HG LEU 66 3.280 -6.478 -1.130 551 1HD1 LEU 66 3HD1 LEU 66 5.217 -4.933 0.149 552 2HD1 LEU 66 2HD1 LEU 66 3.927 -3.785 -0.210 553 3HD1 LEU 66 1HD1 LEU 66 3.580 -5.235 0.730 554 1HD2 LEU 66 3HD2 LEU 66 3.615 -4.409 -3.151 555 2HD2 LEU 66 2HD2 LEU 66 2.145 -5.232 -2.633 556 3HD2 LEU 66 1HD2 LEU 66 2.711 -3.807 -1.762 557 H GLU 67 H GLU 67 3.069 -8.921 -1.747 558 HA GLU 67 HA GLU 67 4.030 -9.388 0.978 559 1HB GLU 67 2HB GLU 67 1.612 -10.426 -0.524 560 2HB GLU 67 1HB GLU 67 1.930 -10.738 1.181 561 1HG GLU 67 2HG GLU 67 1.599 -7.996 -0.082 562 2HG GLU 67 1HG GLU 67 0.399 -8.821 0.914 563 H ASN 68 H ASN 68 5.455 -10.591 -1.508 564 HA ASN 68 HA ASN 68 5.930 -13.217 -0.263 565 1HB ASN 68 2HB ASN 68 5.347 -14.548 -2.165 566 2HB ASN 68 1HB ASN 68 3.971 -13.491 -1.857 567 1HD2 ASN 68 2HD2 ASN 68 4.653 -11.437 -4.788 568 2HD2 ASN 68 1HD2 ASN 68 4.109 -11.291 -3.185 569 H ALA 69 H ALA 69 6.768 -10.880 -2.793 570 HA ALA 69 HA ALA 69 9.258 -12.241 -3.512 571 1HB ALA 69 2HB ALA 69 7.925 -9.668 -4.276 572 2HB ALA 69 1HB ALA 69 9.604 -9.968 -4.721 573 3HB ALA 69 3HB ALA 69 8.335 -11.051 -5.290 574 H LYS 70 H LYS 70 11.210 -10.593 -3.662 575 HA LYS 70 HA LYS 70 11.609 -9.389 -0.944 576 1HB LYS 70 2HB LYS 70 12.966 -11.590 -2.018 577 2HB LYS 70 1HB LYS 70 14.067 -10.235 -2.276 578 1HG LYS 70 2HG LYS 70 14.347 -9.850 -0.020 579 2HG LYS 70 1HG LYS 70 12.733 -10.436 0.388 580 1HD LYS 70 2HD LYS 70 13.457 -12.562 0.687 581 2HD LYS 70 1HD LYS 70 14.460 -12.514 -0.762 582 1HE LYS 70 2HE LYS 70 15.973 -10.921 0.688 583 2HE LYS 70 1HE LYS 70 15.149 -11.695 2.042 584 1HZ LYS 70 2HZ LYS 70 15.798 -13.854 1.133 585 2HZ LYS 70 1HZ LYS 70 16.641 -13.078 -0.123 586 3HZ LYS 70 3HZ LYS 70 17.152 -12.889 1.483 587 H LYS 71 H LYS 71 12.451 -9.359 -4.382 588 HA LYS 71 HA LYS 71 13.510 -6.580 -4.124 589 1HB LYS 71 2HB LYS 71 14.263 -8.798 -5.716 590 2HB LYS 71 1HB LYS 71 13.525 -7.640 -6.822 591 1HG LYS 71 2HG LYS 71 14.994 -5.855 -5.859 592 2HG LYS 71 1HG LYS 71 15.792 -7.089 -4.884 593 1HD LYS 71 2HD LYS 71 17.147 -6.796 -6.841 594 2HD LYS 71 1HD LYS 71 16.288 -8.322 -7.052 595 1HE LYS 71 2HE LYS 71 16.161 -7.060 -9.129 596 2HE LYS 71 1HE LYS 71 14.559 -7.111 -8.397 597 1HZ LYS 71 3HZ LYS 71 16.416 -4.869 -7.879 598 2HZ LYS 71 2HZ LYS 71 15.405 -4.878 -9.243 599 3HZ LYS 71 1HZ LYS 71 14.732 -4.916 -7.684 600 H ILE 72 H ILE 72 11.840 -5.114 -4.228 601 HA ILE 72 HA ILE 72 9.627 -5.690 -6.135 602 HB ILE 72 HB ILE 72 9.684 -4.014 -3.635 603 1HG1 ILE 72 2HG1 ILE 72 7.558 -5.904 -3.713 604 2HG1 ILE 72 1HG1 ILE 72 9.021 -6.755 -4.206 605 1HG2 ILE 72 1HG2 ILE 72 7.791 -4.112 -5.928 606 2HG2 ILE 72 3HG2 ILE 72 7.102 -4.011 -4.309 607 3HG2 ILE 72 2HG2 ILE 72 8.211 -2.762 -4.873 608 1HD1 ILE 72 2HD1 ILE 72 9.075 -4.949 -1.806 609 2HD1 ILE 72 1HD1 ILE 72 8.452 -6.592 -1.664 610 3HD1 ILE 72 3HD1 ILE 72 10.114 -6.322 -2.186 611 H GLU 73 H GLU 73 9.891 -4.603 -7.959 612 HA GLU 73 HA GLU 73 11.471 -2.147 -8.041 613 1HB GLU 73 2HB GLU 73 9.971 -3.723 -10.156 614 2HB GLU 73 1HB GLU 73 10.831 -2.225 -10.508 615 1HG GLU 73 2HG GLU 73 12.466 -3.840 -10.966 616 2HG GLU 73 1HG GLU 73 12.841 -3.396 -9.301 617 H VAL 74 H VAL 74 10.154 -0.817 -6.666 618 HA VAL 74 HA VAL 74 7.370 -0.264 -7.141 619 HB VAL 74 HB VAL 74 9.146 1.876 -6.049 620 1HG1 VAL 74 2HG1 VAL 74 6.474 1.606 -6.144 621 2HG1 VAL 74 1HG1 VAL 74 6.795 0.839 -4.589 622 3HG1 VAL 74 3HG1 VAL 74 7.302 2.503 -4.871 623 1HG2 VAL 74 1HG2 VAL 74 9.105 -0.865 -5.037 624 2HG2 VAL 74 3HG2 VAL 74 10.185 0.465 -4.623 625 3HG2 VAL 74 2HG2 VAL 74 8.620 0.319 -3.826 626 H GLU 75 H GLU 75 6.908 0.255 -9.262 627 HA GLU 75 HA GLU 75 8.622 2.027 -10.810 628 1HB GLU 75 2HB GLU 75 6.603 0.121 -11.369 629 2HB GLU 75 1HB GLU 75 6.035 1.660 -12.018 630 1HG GLU 75 2HG GLU 75 7.354 1.156 -13.801 631 2HG GLU 75 1HG GLU 75 8.675 1.697 -12.767 632 H PHE 76 H PHE 76 8.643 4.044 -9.856 633 HA PHE 76 HA PHE 76 6.331 5.738 -10.388 634 1HB PHE 76 2HB PHE 76 5.923 6.511 -8.168 635 2HB PHE 76 1HB PHE 76 5.904 4.758 -8.091 636 HD1 PHE 76 HD2 PHE 76 7.721 3.514 -7.007 637 HD2 PHE 76 HD1 PHE 76 7.736 7.806 -7.173 638 HE1 PHE 76 HE2 PHE 76 9.524 3.578 -5.307 639 HE2 PHE 76 HE1 PHE 76 9.533 7.869 -5.472 640 HZ PHE 76 HZ PHE 76 10.429 5.754 -4.544 641 H ASP 77 H ASP 77 7.061 7.810 -10.914 642 HA ASP 77 HA ASP 77 9.664 8.752 -9.900 643 1HB ASP 77 2HB ASP 77 10.045 7.224 -11.951 644 2HB ASP 77 1HB ASP 77 9.341 8.538 -12.891 645 H LYS 78 H LYS 78 7.186 9.398 -12.429 646 HA LYS 78 HA LYS 78 7.603 12.158 -12.728 647 1HB LYS 78 2HB LYS 78 6.019 10.672 -14.051 648 2HB LYS 78 1HB LYS 78 4.863 10.877 -12.736 649 1HG LYS 78 2HG LYS 78 5.086 13.369 -13.026 650 2HG LYS 78 1HG LYS 78 6.063 13.061 -14.462 651 1HD LYS 78 2HD LYS 78 4.265 12.404 -15.709 652 2HD LYS 78 1HD LYS 78 3.480 11.611 -14.343 653 1HE LYS 78 2HE LYS 78 3.697 14.615 -14.451 654 2HE LYS 78 1HE LYS 78 2.396 13.777 -15.296 655 1HZ LYS 78 1HZ LYS 78 1.796 12.706 -13.197 656 2HZ LYS 78 3HZ LYS 78 3.016 13.571 -12.398 657 3HZ LYS 78 2HZ LYS 78 1.701 14.398 -13.084 658 H GLY 79 H GLY 79 8.026 13.245 -10.798 659 1HA GLY 79 2HA GLY 79 7.627 14.148 -8.645 660 2HA GLY 79 1HA GLY 79 6.165 14.701 -9.455 661 H GLN 80 H GLN 80 7.220 11.473 -8.284 662 HA GLN 80 HA GLN 80 4.535 10.969 -7.261 663 1HB GLN 80 2HB GLN 80 6.567 9.342 -8.210 664 2HB GLN 80 1HB GLN 80 6.606 9.052 -6.473 665 1HG GLN 80 2HG GLN 80 4.411 8.505 -8.437 666 2HG GLN 80 1HG GLN 80 5.006 7.501 -7.120 667 1HE2 GLN 80 2HE2 GLN 80 3.013 9.220 -4.627 668 2HE2 GLN 80 1HE2 GLN 80 4.514 8.450 -4.823 669 H ARG 81 H ARG 81 5.491 13.155 -5.917 670 HA ARG 81 HA ARG 81 6.546 12.190 -3.322 671 1HB ARG 81 2HB ARG 81 7.302 14.352 -4.607 672 2HB ARG 81 1HB ARG 81 5.845 15.055 -3.904 673 1HG ARG 81 2HG ARG 81 7.716 15.478 -2.404 674 2HG ARG 81 1HG ARG 81 6.636 14.309 -1.646 675 1HD ARG 81 2HD ARG 81 8.247 12.733 -1.602 676 2HD ARG 81 1HD ARG 81 8.612 12.974 -3.310 677 HE ARG 81 HE ARG 81 9.794 15.154 -2.088 678 1HH1 ARG 81 1HH2 ARG 81 10.141 13.540 0.363 679 2HH1 ARG 81 2HH2 ARG 81 11.638 12.719 0.077 680 1HH2 ARG 81 2HH1 ARG 81 11.622 13.313 -3.345 681 2HH2 ARG 81 1HH1 ARG 81 12.476 12.587 -2.025 682 H THR 82 H THR 82 3.685 11.879 -4.558 683 HA THR 82 HA THR 82 1.980 13.307 -2.665 684 HB THR 82 HB THR 82 0.527 11.163 -3.731 685 HG1 THR 82 HG1 THR 82 1.434 10.701 -5.549 686 1HG2 THR 82 2HG2 THR 82 -0.211 13.512 -3.388 687 2HG2 THR 82 1HG2 THR 82 0.754 13.997 -4.782 688 3HG2 THR 82 3HG2 THR 82 -0.619 12.913 -4.995 689 H ASP 83 H ASP 83 1.819 12.646 -0.637 690 HA ASP 83 HA ASP 83 1.336 9.860 0.024 691 1HB ASP 83 2HB ASP 83 3.309 9.431 1.312 692 2HB ASP 83 1HB ASP 83 3.834 9.996 -0.271 693 H LYS 84 H LYS 84 -0.283 11.949 0.355 694 HA LYS 84 HA LYS 84 -0.571 12.102 3.291 695 1HB LYS 84 2HB LYS 84 0.849 14.113 2.510 696 2HB LYS 84 1HB LYS 84 -0.611 14.679 1.699 697 1HG LYS 84 2HG LYS 84 -1.774 14.367 3.985 698 2HG LYS 84 1HG LYS 84 -0.145 14.279 4.655 699 1HD LYS 84 2HD LYS 84 -0.015 16.490 2.987 700 2HD LYS 84 1HD LYS 84 -1.632 16.608 3.681 701 1HE LYS 84 2HE LYS 84 -0.775 16.579 5.917 702 2HE LYS 84 1HE LYS 84 0.833 16.113 5.364 703 1HZ LYS 84 1HZ LYS 84 1.004 18.239 4.212 704 2HZ LYS 84 3HZ LYS 84 -0.529 18.688 4.783 705 3HZ LYS 84 2HZ LYS 84 0.751 18.460 5.877 706 H TYR 85 H TYR 85 -2.129 10.612 2.033 707 HA TYR 85 HA TYR 85 -4.436 10.210 1.785 708 1HB TYR 85 2HB TYR 85 -4.706 12.706 2.749 709 2HB TYR 85 1HB TYR 85 -5.128 13.019 1.060 710 HD1 TYR 85 HD1 TYR 85 -5.998 11.079 4.085 711 HD2 TYR 85 HD2 TYR 85 -7.098 12.043 0.046 712 HE1 TYR 85 HE1 TYR 85 -8.191 9.979 4.421 713 HE2 TYR 85 HE2 TYR 85 -9.293 10.949 0.383 714 HH TYR 85 HH TYR 85 -10.756 10.470 2.823 715 H GLY 86 H GLY 86 -2.567 12.372 -0.275 716 1HA GLY 86 2HA GLY 86 -3.963 11.853 -2.738 717 2HA GLY 86 1HA GLY 86 -2.291 12.414 -2.599 718 H ARG 87 H ARG 87 -1.871 10.025 -0.686 719 HA ARG 87 HA ARG 87 -1.239 7.790 -0.755 720 1HB ARG 87 2HB ARG 87 -3.252 7.983 -2.843 721 2HB ARG 87 1HB ARG 87 -1.993 6.834 -3.282 722 1HG ARG 87 2HG ARG 87 -4.008 5.952 -1.919 723 2HG ARG 87 1HG ARG 87 -2.394 5.488 -1.389 724 1HD ARG 87 2HD ARG 87 -3.311 8.024 -0.222 725 2HD ARG 87 1HD ARG 87 -4.320 6.642 0.217 726 HE ARG 87 HE ARG 87 -1.776 5.684 0.595 727 1HH1 ARG 87 1HH2 ARG 87 -0.980 8.543 1.095 728 2HH1 ARG 87 2HH2 ARG 87 -1.228 8.695 2.803 729 1HH2 ARG 87 2HH1 ARG 87 -3.189 5.837 3.041 730 2HH2 ARG 87 1HH1 ARG 87 -2.481 7.159 3.906 731 H VAL 88 H VAL 88 0.574 6.660 -1.485 732 HA VAL 88 HA VAL 88 2.458 8.213 -3.110 733 HB VAL 88 HB VAL 88 2.752 5.407 -1.983 734 1HG1 VAL 88 1HG1 VAL 88 4.398 6.024 -3.734 735 2HG1 VAL 88 3HG1 VAL 88 4.812 7.476 -2.824 736 3HG1 VAL 88 2HG1 VAL 88 5.169 5.885 -2.154 737 1HG2 VAL 88 2HG2 VAL 88 3.398 8.115 -0.780 738 2HG2 VAL 88 1HG2 VAL 88 2.268 6.915 -0.151 739 3HG2 VAL 88 3HG2 VAL 88 4.001 6.587 -0.137 740 H LEU 89 H LEU 89 0.824 8.096 -4.891 741 HA LEU 89 HA LEU 89 0.002 5.840 -6.306 742 1HB LEU 89 2HB LEU 89 0.877 8.302 -7.806 743 2HB LEU 89 1HB LEU 89 -0.527 7.274 -8.087 744 HG LEU 89 HG LEU 89 -0.116 9.279 -5.855 745 1HD1 LEU 89 3HD1 LEU 89 -0.999 10.144 -7.973 746 2HD1 LEU 89 2HD1 LEU 89 -2.283 8.934 -7.935 747 3HD1 LEU 89 1HD1 LEU 89 -2.223 10.198 -6.705 748 1HD2 LEU 89 2HD2 LEU 89 -1.865 6.866 -5.996 749 2HD2 LEU 89 1HD2 LEU 89 -1.154 7.657 -4.592 750 3HD2 LEU 89 3HD2 LEU 89 -2.587 8.342 -5.356 751 H ALA 90 H ALA 90 1.631 4.273 -6.282 752 HA ALA 90 HA ALA 90 3.678 4.588 -8.409 753 1HB ALA 90 1HB ALA 90 4.240 3.674 -5.572 754 2HB ALA 90 3HB ALA 90 5.393 3.591 -6.902 755 3HB ALA 90 2HB ALA 90 4.830 5.157 -6.317 756 H TYR 91 H TYR 91 4.040 2.670 -9.505 757 HA TYR 91 HA TYR 91 2.209 0.452 -8.954 758 1HB TYR 91 2HB TYR 91 4.298 0.968 -11.079 759 2HB TYR 91 1HB TYR 91 3.428 -0.562 -10.960 760 HD1 TYR 91 HD1 TYR 91 3.062 3.080 -11.522 761 HD2 TYR 91 HD2 TYR 91 1.089 -0.735 -11.526 762 HE1 TYR 91 HE1 TYR 91 1.105 4.094 -12.653 763 HE2 TYR 91 HE2 TYR 91 -0.867 0.277 -12.659 764 HH TYR 91 HH TYR 91 -1.755 3.023 -12.692 765 H ILE 92 H ILE 92 2.978 -1.759 -8.523 766 HA ILE 92 HA ILE 92 5.728 -1.834 -7.322 767 HB ILE 92 HB ILE 92 3.369 -3.195 -6.016 768 1HG1 ILE 92 2HG1 ILE 92 2.886 -0.717 -6.284 769 2HG1 ILE 92 1HG1 ILE 92 2.953 -1.283 -4.619 770 1HG2 ILE 92 1HG2 ILE 92 6.074 -2.223 -5.084 771 2HG2 ILE 92 3HG2 ILE 92 4.833 -2.851 -4.001 772 3HG2 ILE 92 2HG2 ILE 92 5.530 -3.893 -5.240 773 1HD1 ILE 92 1HD1 ILE 92 5.537 -0.375 -5.743 774 2HD1 ILE 92 3HD1 ILE 92 4.322 0.886 -5.529 775 3HD1 ILE 92 2HD1 ILE 92 4.836 -0.086 -4.151 776 H TYR 93 H TYR 93 6.670 -3.311 -8.805 777 HA TYR 93 HA TYR 93 5.326 -5.993 -8.941 778 1HB TYR 93 2HB TYR 93 7.210 -5.376 -11.143 779 2HB TYR 93 1HB TYR 93 5.708 -6.285 -11.171 780 HD1 TYR 93 HD1 TYR 93 3.589 -4.593 -10.445 781 HD2 TYR 93 HD2 TYR 93 7.208 -3.579 -12.507 782 HE1 TYR 93 HE1 TYR 93 2.467 -2.635 -11.470 783 HE2 TYR 93 HE2 TYR 93 6.096 -1.626 -13.529 784 HH TYR 93 HH TYR 93 4.200 -0.190 -13.192 785 H ALA 94 H ALA 94 6.529 -7.340 -7.717 786 HA ALA 94 HA ALA 94 9.389 -6.852 -7.397 787 1HB ALA 94 2HB ALA 94 7.768 -7.368 -5.468 788 2HB ALA 94 1HB ALA 94 7.767 -9.023 -6.074 789 3HB ALA 94 3HB ALA 94 9.269 -8.292 -5.511 790 H ASP 95 H ASP 95 10.909 -8.151 -8.206 791 HA ASP 95 HA ASP 95 11.917 -9.674 -9.681 792 1HB ASP 95 2HB ASP 95 9.711 -11.433 -8.557 793 2HB ASP 95 1HB ASP 95 11.097 -12.023 -9.472 794 H GLY 96 H GLY 96 9.606 -7.980 -10.659 795 1HA GLY 96 2HA GLY 96 9.029 -7.778 -13.028 796 2HA GLY 96 1HA GLY 96 8.984 -9.542 -13.121 797 H LYS 97 H LYS 97 7.528 -10.202 -10.935 798 HA LYS 97 HA LYS 97 5.374 -10.565 -10.220 799 1HB LYS 97 2HB LYS 97 5.867 -7.738 -10.044 800 2HB LYS 97 1HB LYS 97 4.173 -8.013 -10.441 801 1HG LYS 97 2HG LYS 97 5.647 -9.406 -8.188 802 2HG LYS 97 1HG LYS 97 4.607 -7.999 -7.977 803 1HD LYS 97 2HD LYS 97 3.656 -10.572 -9.261 804 2HD LYS 97 1HD LYS 97 3.490 -10.239 -7.538 805 1HE LYS 97 2HE LYS 97 2.461 -7.946 -8.526 806 2HE LYS 97 1HE LYS 97 2.056 -9.034 -9.845 807 1HZ LYS 97 3HZ LYS 97 1.512 -10.045 -7.184 808 2HZ LYS 97 2HZ LYS 97 0.557 -8.731 -7.673 809 3HZ LYS 97 1HZ LYS 97 0.586 -10.153 -8.597 810 H MET 98 H MET 98 4.213 -7.901 -12.248 811 HA MET 98 HA MET 98 3.583 -9.311 -14.618 812 1HB MET 98 2HB MET 98 1.315 -10.095 -14.189 813 2HB MET 98 1HB MET 98 2.395 -10.826 -13.004 814 1HG MET 98 2HG MET 98 1.830 -8.975 -11.415 815 2HG MET 98 1HG MET 98 0.639 -8.389 -12.571 816 1HE MET 98 1HE MET 98 -1.196 -8.378 -11.902 817 2HE MET 98 3HE MET 98 -2.316 -9.743 -11.898 818 3HE MET 98 2HE MET 98 -1.660 -9.135 -10.383 819 H VAL 99 H VAL 99 2.195 -7.130 -12.160 820 HA VAL 99 HA VAL 99 0.394 -5.689 -13.763 821 HB VAL 99 HB VAL 99 2.055 -4.661 -11.445 822 1HG1 VAL 99 3HG1 VAL 99 0.953 -2.891 -12.787 823 2HG1 VAL 99 2HG1 VAL 99 -0.591 -3.710 -12.561 824 3HG1 VAL 99 1HG1 VAL 99 0.260 -3.032 -11.173 825 1HG2 VAL 99 3HG2 VAL 99 -0.576 -6.142 -11.626 826 2HG2 VAL 99 2HG2 VAL 99 0.859 -6.593 -10.705 827 3HG2 VAL 99 1HG2 VAL 99 -0.114 -5.212 -10.200 828 H ASN 100 H ASN 100 3.861 -5.551 -13.736 829 HA ASN 100 HA ASN 100 4.485 -3.021 -14.730 830 1HB ASN 100 2HB ASN 100 6.379 -4.120 -15.927 831 2HB ASN 100 1HB ASN 100 6.213 -4.684 -14.265 832 1HD2 ASN 100 2HD2 ASN 100 5.714 -7.304 -17.332 833 2HD2 ASN 100 1HD2 ASN 100 6.057 -5.668 -17.625 834 H GLU 101 H GLU 101 2.987 -5.715 -16.500 835 HA GLU 101 HA GLU 101 3.281 -4.716 -19.142 836 1HB GLU 101 2HB GLU 101 1.307 -6.105 -19.701 837 2HB GLU 101 1HB GLU 101 2.451 -6.983 -18.691 838 1HG GLU 101 2HG GLU 101 0.727 -7.415 -17.301 839 2HG GLU 101 1HG GLU 101 0.765 -5.709 -16.860 840 H ALA 102 H ALA 102 1.057 -3.763 -16.577 841 HA ALA 102 HA ALA 102 -0.790 -2.289 -18.228 842 1HB ALA 102 1HB ALA 102 -0.070 -1.903 -15.303 843 2HB ALA 102 3HB ALA 102 -1.481 -1.219 -16.108 844 3HB ALA 102 2HB ALA 102 -1.337 -2.966 -15.916 845 H LEU 103 HN LEU 103 -0.573 -0.300 -19.124 846 HA LEU 103 HA LEU 103 0.289 1.793 -19.682 847 1HB LEU 103 2HB LEU 103 1.194 1.489 -16.848 848 2HB LEU 103 1HB LEU 103 1.954 2.748 -17.818 849 HG LEU 103 HG LEU 103 -1.041 2.401 -17.502 850 1HD1 LEU 103 2HD1 LEU 103 0.446 3.149 -15.465 851 2HD1 LEU 103 1HD1 LEU 103 0.558 4.671 -16.350 852 3HD1 LEU 103 3HD1 LEU 103 -1.017 4.053 -15.852 853 1HD2 LEU 103 1HD2 LEU 103 0.734 4.414 -18.895 854 2HD2 LEU 103 3HD2 LEU 103 -0.628 3.513 -19.559 855 3HD2 LEU 103 2HD2 LEU 103 -0.912 4.821 -18.411 No H/Q in entry = 855 Start of MODEL 3 Raw file had 866 H/Q atoms Start of MODEL 3 1 1H ALA 1 2H ALA 1 18.205 22.137 -14.063 2 2H ALA 1 1H ALA 1 19.123 20.787 -14.535 3 3H ALA 1 3H ALA 1 17.967 21.435 -15.593 4 HA ALA 1 HA ALA 1 17.132 19.414 -14.581 5 1HB ALA 1 3HB ALA 1 17.614 20.959 -12.015 6 2HB ALA 1 2HB ALA 1 16.700 19.454 -12.113 7 3HB ALA 1 1HB ALA 1 18.418 19.470 -12.513 8 H THR 2 H THR 2 15.059 19.574 -15.267 9 HA THR 2 HA THR 2 13.361 21.784 -14.188 10 HB THR 2 HB THR 2 12.291 21.920 -16.481 11 HG1 THR 2 HG1 THR 2 12.891 20.214 -17.604 12 1HG2 THR 2 3HG2 THR 2 13.995 23.551 -15.659 13 2HG2 THR 2 2HG2 THR 2 15.250 22.567 -16.410 14 3HG2 THR 2 1HG2 THR 2 14.026 23.348 -17.410 15 H SER 3 H SER 3 13.196 19.463 -12.929 16 HA SER 3 HA SER 3 11.770 17.716 -12.313 17 1HB SER 3 2HB SER 3 10.123 19.682 -12.655 18 2HB SER 3 1HB SER 3 9.720 18.910 -14.186 19 HG SER 3 HG SER 3 8.353 17.974 -12.798 20 H THR 4 H THR 4 13.324 16.406 -13.661 21 HA THR 4 HA THR 4 11.938 15.229 -16.040 22 HB THR 4 HB THR 4 14.080 16.460 -16.545 23 HG1 THR 4 HG1 THR 4 13.654 14.952 -18.012 24 1HG2 THR 4 1HG2 THR 4 15.194 15.800 -14.377 25 2HG2 THR 4 3HG2 THR 4 15.390 14.179 -15.043 26 3HG2 THR 4 2HG2 THR 4 16.188 15.552 -15.811 27 H LYS 5 H LYS 5 12.171 12.926 -16.313 28 HA LYS 5 HA LYS 5 12.246 10.703 -15.608 29 1HB LYS 5 2HB LYS 5 14.329 11.969 -13.871 30 2HB LYS 5 1HB LYS 5 13.766 10.352 -13.452 31 1HG LYS 5 2HG LYS 5 14.612 11.048 -16.266 32 2HG LYS 5 1HG LYS 5 15.780 10.516 -15.055 33 1HD LYS 5 2HD LYS 5 14.334 8.484 -14.668 34 2HD LYS 5 1HD LYS 5 13.357 8.988 -16.049 35 1HE LYS 5 2HE LYS 5 16.346 8.688 -16.307 36 2HE LYS 5 1HE LYS 5 15.282 7.290 -16.466 37 1HZ LYS 5 3HZ LYS 5 14.042 8.549 -18.176 38 2HZ LYS 5 2HZ LYS 5 15.210 9.780 -18.084 39 3HZ LYS 5 1HZ LYS 5 15.649 8.228 -18.616 40 H LYS 6 H LYS 6 10.709 9.593 -14.499 41 HA LYS 6 HA LYS 6 9.844 10.497 -11.846 42 1HB LYS 6 2HB LYS 6 7.680 9.787 -13.796 43 2HB LYS 6 1HB LYS 6 7.609 10.841 -12.390 44 1HG LYS 6 2HG LYS 6 9.267 11.646 -14.769 45 2HG LYS 6 1HG LYS 6 7.523 11.890 -14.793 46 1HD LYS 6 2HD LYS 6 7.573 13.388 -12.988 47 2HD LYS 6 1HD LYS 6 9.148 12.821 -12.436 48 1HE LYS 6 2HE LYS 6 10.181 14.390 -13.675 49 2HE LYS 6 1HE LYS 6 9.400 13.781 -15.134 50 1HZ LYS 6 3HZ LYS 6 8.149 15.658 -13.200 51 2HZ LYS 6 2HZ LYS 6 8.864 16.114 -14.672 52 3HZ LYS 6 1HZ LYS 6 7.480 15.129 -14.667 53 H LEU 7 H LEU 7 8.512 8.222 -14.267 54 HA LEU 7 HA LEU 7 8.267 6.072 -12.390 55 1HB LEU 7 2HB LEU 7 8.197 6.249 -15.402 56 2HB LEU 7 1HB LEU 7 8.130 4.683 -14.595 57 HG LEU 7 HG LEU 7 6.272 6.948 -13.846 58 1HD1 LEU 7 3HD1 LEU 7 5.848 4.755 -15.900 59 2HD1 LEU 7 2HD1 LEU 7 4.585 5.828 -15.297 60 3HD1 LEU 7 1HD1 LEU 7 5.932 6.486 -16.226 61 1HD2 LEU 7 3HD2 LEU 7 6.166 3.932 -13.505 62 2HD2 LEU 7 2HD2 LEU 7 6.488 5.109 -12.232 63 3HD2 LEU 7 1HD2 LEU 7 4.901 5.051 -12.999 64 H HIS 8 H HIS 8 10.226 5.657 -11.342 65 HA HIS 8 HA HIS 8 12.400 4.542 -13.065 66 1HB HIS 8 2HB HIS 8 12.905 6.811 -11.993 67 2HB HIS 8 1HB HIS 8 12.893 5.963 -10.449 68 HD1 HIS 8 HD1 HIS 8 14.775 4.191 -10.037 69 HD2 HIS 8 HD2 HIS 8 15.155 6.270 -13.630 70 HE1 HIS 8 HE1 HIS 8 17.104 3.705 -10.903 71 H LYS 9 H LYS 9 13.028 2.556 -12.511 72 HA LYS 9 HA LYS 9 11.632 0.989 -10.563 73 1HB LYS 9 2HB LYS 9 14.161 0.499 -12.151 74 2HB LYS 9 1HB LYS 9 13.467 -0.710 -11.070 75 1HG LYS 9 2HG LYS 9 11.266 -0.348 -12.355 76 2HG LYS 9 1HG LYS 9 12.245 0.487 -13.560 77 1HD LYS 9 2HD LYS 9 13.430 -1.446 -14.135 78 2HD LYS 9 1HD LYS 9 13.063 -2.244 -12.606 79 1HE LYS 9 2HE LYS 9 10.556 -1.953 -13.524 80 2HE LYS 9 1HE LYS 9 11.402 -2.012 -15.070 81 1HZ LYS 9 1HZ LYS 9 12.476 -4.073 -14.323 82 2HZ LYS 9 3HZ LYS 9 11.558 -4.029 -12.897 83 3HZ LYS 9 2HZ LYS 9 10.785 -4.218 -14.398 84 H GLU 10 H GLU 10 12.125 0.487 -8.472 85 HA GLU 10 HA GLU 10 14.792 0.992 -7.339 86 1HB GLU 10 2HB GLU 10 12.449 2.770 -6.863 87 2HB GLU 10 1HB GLU 10 13.361 2.293 -5.432 88 1HG GLU 10 2HG GLU 10 15.154 3.561 -6.005 89 2HG GLU 10 1HG GLU 10 15.054 3.099 -7.704 90 HA PRO 11 HA PRO 11 13.225 -2.853 -5.644 91 1HB PRO 11 2HB PRO 11 15.514 -2.601 -3.815 92 2HB PRO 11 1HB PRO 11 15.135 -3.881 -4.979 93 1HG PRO 11 2HG PRO 11 17.104 -1.917 -5.315 94 2HG PRO 11 1HG PRO 11 16.438 -2.941 -6.593 95 1HD PRO 11 2HD PRO 11 16.047 -0.078 -6.181 96 2HD PRO 11 1HD PRO 11 15.538 -1.079 -7.557 97 H ALA 12 H ALA 12 11.960 -3.296 -3.879 98 HA ALA 12 HA ALA 12 11.802 -1.203 -1.746 99 1HB ALA 12 2HB ALA 12 9.825 -2.032 -3.558 100 2HB ALA 12 1HB ALA 12 9.387 -2.789 -2.028 101 3HB ALA 12 3HB ALA 12 9.587 -1.040 -2.121 102 H THR 13 H THR 13 9.971 -2.625 -0.109 103 HA THR 13 HA THR 13 11.046 -5.257 0.534 104 HB THR 13 HB THR 13 12.806 -4.111 1.643 105 HG1 THR 13 HG1 THR 13 12.111 -5.378 3.212 106 1HG2 THR 13 2HG2 THR 13 10.708 -2.036 2.089 107 2HG2 THR 13 1HG2 THR 13 12.017 -2.142 3.267 108 3HG2 THR 13 3HG2 THR 13 12.380 -1.848 1.565 109 H LEU 14 H LEU 14 8.966 -6.047 0.552 110 HA LEU 14 HA LEU 14 6.596 -4.822 1.247 111 1HB LEU 14 2HB LEU 14 5.655 -6.995 1.689 112 2HB LEU 14 1HB LEU 14 6.829 -7.170 0.388 113 HG LEU 14 HG LEU 14 8.419 -7.590 2.566 114 1HD1 LEU 14 2HD1 LEU 14 6.001 -7.532 3.772 115 2HD1 LEU 14 1HD1 LEU 14 6.050 -9.234 3.313 116 3HD1 LEU 14 3HD1 LEU 14 7.319 -8.559 4.336 117 1HD2 LEU 14 3HD2 LEU 14 6.742 -9.592 1.028 118 2HD2 LEU 14 2HD2 LEU 14 8.357 -9.021 0.608 119 3HD2 LEU 14 1HD2 LEU 14 8.121 -10.025 2.039 120 H ILE 15 H ILE 15 5.813 -3.892 3.051 121 HA ILE 15 HA ILE 15 7.183 -4.538 5.614 122 HB ILE 15 HB ILE 15 5.239 -2.254 5.198 123 1HG1 ILE 15 2HG1 ILE 15 8.184 -1.762 5.091 124 2HG1 ILE 15 1HG1 ILE 15 7.413 -2.392 3.636 125 1HG2 ILE 15 2HG2 ILE 15 7.524 -2.728 7.136 126 2HG2 ILE 15 1HG2 ILE 15 6.514 -1.284 7.089 127 3HG2 ILE 15 3HG2 ILE 15 5.805 -2.841 7.513 128 1HD1 ILE 15 3HD1 ILE 15 6.328 -0.004 5.141 129 2HD1 ILE 15 2HD1 ILE 15 7.491 0.151 3.826 130 3HD1 ILE 15 1HD1 ILE 15 5.901 -0.544 3.520 131 H LYS 16 H LYS 16 3.865 -3.656 4.604 132 HA LYS 16 HA LYS 16 2.756 -6.044 5.884 133 1HB LYS 16 2HB LYS 16 2.854 -3.462 7.273 134 2HB LYS 16 1HB LYS 16 1.214 -4.092 7.119 135 1HG LYS 16 2HG LYS 16 2.444 -6.361 7.861 136 2HG LYS 16 1HG LYS 16 3.539 -5.206 8.620 137 1HD LYS 16 2HD LYS 16 2.055 -4.798 10.261 138 2HD LYS 16 1HD LYS 16 0.802 -4.407 9.082 139 1HE LYS 16 2HE LYS 16 1.519 -7.283 9.577 140 2HE LYS 16 1HE LYS 16 0.458 -6.445 10.708 141 1HZ LYS 16 1HZ LYS 16 -0.992 -5.862 8.863 142 2HZ LYS 16 3HZ LYS 16 0.026 -6.676 7.777 143 3HZ LYS 16 2HZ LYS 16 -0.805 -7.547 8.975 144 H ALA 17 H ALA 17 1.707 -6.505 3.937 145 HA ALA 17 HA ALA 17 0.416 -4.649 2.226 146 1HB ALA 17 2HB ALA 17 -0.304 -7.550 2.766 147 2HB ALA 17 1HB ALA 17 -0.888 -6.600 1.399 148 3HB ALA 17 3HB ALA 17 0.830 -6.972 1.545 149 H ILE 18 H ILE 18 -1.074 -3.241 2.856 150 HA ILE 18 HA ILE 18 -2.724 -3.416 5.159 151 HB ILE 18 HB ILE 18 -2.812 -1.810 2.616 152 1HG1 ILE 18 2HG1 ILE 18 -2.717 -0.482 5.238 153 2HG1 ILE 18 1HG1 ILE 18 -1.368 -1.582 4.957 154 1HG2 ILE 18 2HG2 ILE 18 -4.830 -1.823 4.872 155 2HG2 ILE 18 1HG2 ILE 18 -4.602 -0.424 3.823 156 3HG2 ILE 18 3HG2 ILE 18 -5.139 -1.958 3.141 157 1HD1 ILE 18 3HD1 ILE 18 -0.938 -0.467 2.776 158 2HD1 ILE 18 2HD1 ILE 18 -2.247 0.664 3.117 159 3HD1 ILE 18 1HD1 ILE 18 -0.803 0.655 4.129 160 H ASP 19 H ASP 19 -3.185 -4.597 1.874 161 HA ASP 19 HA ASP 19 -4.736 -6.102 0.993 162 1HB ASP 19 2HB ASP 19 -5.978 -6.298 3.748 163 2HB ASP 19 1HB ASP 19 -6.077 -7.467 2.436 164 H GLY 20 H GLY 20 -6.295 -5.323 -0.304 165 1HA GLY 20 2HA GLY 20 -8.750 -4.644 -0.274 166 2HA GLY 20 1HA GLY 20 -8.259 -3.390 0.864 167 H ASP 21 H ASP 21 -7.204 -1.533 0.076 168 HA ASP 21 HA ASP 21 -7.270 -1.242 -2.898 169 1HB ASP 21 2HB ASP 21 -7.738 0.650 -0.614 170 2HB ASP 21 1HB ASP 21 -7.205 1.286 -2.167 171 H THR 22 H THR 22 -5.360 -0.121 -0.072 172 HA THR 22 HA THR 22 -3.077 0.317 -1.938 173 HB THR 22 HB THR 22 -3.717 1.454 0.779 174 HG1 THR 22 HG1 THR 22 -4.747 2.663 -0.633 175 1HG2 THR 22 2HG2 THR 22 -1.211 1.617 -0.885 176 2HG2 THR 22 1HG2 THR 22 -1.640 2.886 0.258 177 3HG2 THR 22 3HG2 THR 22 -1.363 1.242 0.831 178 H VAL 23 H VAL 23 -0.919 -0.225 -1.182 179 HA VAL 23 HA VAL 23 -0.849 -2.502 0.748 180 HB VAL 23 HB VAL 23 1.145 -3.293 -0.642 181 1HG1 VAL 23 3HG1 VAL 23 -1.253 -4.193 -0.718 182 2HG1 VAL 23 2HG1 VAL 23 -1.455 -3.233 -2.184 183 3HG1 VAL 23 1HG1 VAL 23 -0.251 -4.521 -2.131 184 1HG2 VAL 23 1HG2 VAL 23 1.334 -1.033 -1.830 185 2HG2 VAL 23 3HG2 VAL 23 1.404 -2.454 -2.872 186 3HG2 VAL 23 2HG2 VAL 23 -0.083 -1.513 -2.763 187 H LYS 24 H LYS 24 0.986 -2.543 2.190 188 HA LYS 24 HA LYS 24 2.371 0.091 2.358 189 1HB LYS 24 2HB LYS 24 0.965 -1.031 4.297 190 2HB LYS 24 1HB LYS 24 2.454 -1.935 4.564 191 1HG LYS 24 2HG LYS 24 3.704 0.217 4.682 192 2HG LYS 24 1HG LYS 24 2.176 1.084 4.518 193 1HD LYS 24 2HD LYS 24 1.551 0.652 6.664 194 2HD LYS 24 1HD LYS 24 2.206 -0.985 6.629 195 1HE LYS 24 2HE LYS 24 4.497 -0.062 6.843 196 2HE LYS 24 1HE LYS 24 3.822 1.566 6.923 197 1HZ LYS 24 1HZ LYS 24 3.243 -0.642 8.825 198 2HZ LYS 24 3HZ LYS 24 4.263 0.679 9.127 199 3HZ LYS 24 2HZ LYS 24 2.597 0.929 8.902 200 H LEU 25 H LEU 25 4.184 -0.127 1.098 201 HA LEU 25 HA LEU 25 6.160 -2.163 1.988 202 1HB LEU 25 2HB LEU 25 6.785 -2.752 -0.247 203 2HB LEU 25 1HB LEU 25 5.035 -2.897 -0.168 204 HG LEU 25 HG LEU 25 6.280 -0.310 -1.070 205 1HD1 LEU 25 3HD1 LEU 25 7.258 -2.263 -2.368 206 2HD1 LEU 25 2HD1 LEU 25 5.619 -2.613 -2.916 207 3HD1 LEU 25 1HD1 LEU 25 6.381 -1.079 -3.336 208 1HD2 LEU 25 2HD2 LEU 25 3.649 -1.741 -1.321 209 2HD2 LEU 25 1HD2 LEU 25 3.966 -0.082 -0.818 210 3HD2 LEU 25 3HD2 LEU 25 4.099 -0.528 -2.517 211 H MET 26 H MET 26 8.275 -1.406 2.020 212 HA MET 26 HA MET 26 8.563 1.527 1.689 213 1HB MET 26 2HB MET 26 9.333 0.668 3.816 214 2HB MET 26 1HB MET 26 10.293 -0.578 3.024 215 1HG MET 26 2HG MET 26 11.798 1.069 2.102 216 2HG MET 26 1HG MET 26 10.763 2.389 2.639 217 1HE MET 26 3HE MET 26 13.271 -0.173 3.231 218 2HE MET 26 2HE MET 26 14.123 1.360 3.406 219 3HE MET 26 1HE MET 26 14.042 0.248 4.768 220 H TYR 27 H TYR 27 9.511 2.308 -0.131 221 HA TYR 27 HA TYR 27 10.756 0.463 -2.036 222 1HB TYR 27 2HB TYR 27 11.207 2.741 -3.281 223 2HB TYR 27 1HB TYR 27 9.571 2.097 -3.198 224 HD1 TYR 27 HD2 TYR 27 11.891 4.270 -1.183 225 HD2 TYR 27 HD1 TYR 27 7.872 3.510 -2.492 226 HE1 TYR 27 HE2 TYR 27 11.122 6.317 -0.015 227 HE2 TYR 27 HE1 TYR 27 7.104 5.553 -1.323 228 HH TYR 27 HH TYR 27 9.200 7.928 -0.199 229 H LYS 28 H LYS 28 12.173 0.439 0.327 230 HA LYS 28 HA LYS 28 14.300 0.620 1.212 231 1HB LYS 28 2HB LYS 28 14.608 -0.280 -1.287 232 2HB LYS 28 1HB LYS 28 15.451 1.258 -1.471 233 1HG LYS 28 2HG LYS 28 17.191 0.603 -0.156 234 2HG LYS 28 1HG LYS 28 16.138 -0.233 0.985 235 1HD LYS 28 2HD LYS 28 17.189 -2.060 0.041 236 2HD LYS 28 1HD LYS 28 15.833 -1.901 -1.076 237 1HE LYS 28 2HE LYS 28 17.584 -1.976 -2.590 238 2HE LYS 28 1HE LYS 28 17.494 -0.237 -2.318 239 1HZ LYS 28 3HZ LYS 28 19.300 -2.113 -0.888 240 2HZ LYS 28 2HZ LYS 28 19.762 -1.059 -2.136 241 3HZ LYS 28 1HZ LYS 28 19.224 -0.435 -0.650 242 H GLY 29 H GLY 29 13.139 2.741 1.878 243 1HA GLY 29 2HA GLY 29 15.060 4.753 2.220 244 2HA GLY 29 1HA GLY 29 14.108 5.239 0.815 245 H GLN 30 H GLN 30 11.609 4.103 1.696 246 HA GLN 30 HA GLN 30 10.972 5.213 4.320 247 1HB GLN 30 2HB GLN 30 11.088 7.304 3.077 248 2HB GLN 30 1HB GLN 30 10.019 6.658 1.833 249 1HG GLN 30 2HG GLN 30 8.202 6.445 3.482 250 2HG GLN 30 1HG GLN 30 9.270 7.060 4.746 251 1HE2 GLN 30 2HE2 GLN 30 7.767 9.672 1.951 252 2HE2 GLN 30 1HE2 GLN 30 7.731 8.004 1.631 253 HA PRO 31 HA PRO 31 7.925 2.008 3.534 254 1HB PRO 31 2HB PRO 31 6.847 2.431 6.150 255 2HB PRO 31 1HB PRO 31 7.956 1.147 5.652 256 1HG PRO 31 2HG PRO 31 8.533 3.441 7.318 257 2HG PRO 31 1HG PRO 31 9.618 2.120 6.867 258 1HD PRO 31 2HD PRO 31 9.641 4.838 5.898 259 2HD PRO 31 1HD PRO 31 10.735 3.513 5.455 260 H MET 32 H MET 32 6.281 2.829 2.207 261 HA MET 32 HA MET 32 4.619 5.040 3.364 262 1HB MET 32 2HB MET 32 5.953 4.738 0.778 263 2HB MET 32 1HB MET 32 4.267 5.241 0.651 264 1HG MET 32 2HG MET 32 6.179 6.566 2.577 265 2HG MET 32 1HG MET 32 6.012 7.112 0.909 266 1HE MET 32 3HE MET 32 5.596 8.758 3.519 267 2HE MET 32 2HE MET 32 5.337 9.533 1.959 268 3HE MET 32 1HE MET 32 4.124 9.694 3.227 269 H THR 33 H THR 33 2.579 5.259 1.775 270 HA THR 33 HA THR 33 1.179 2.637 1.656 271 HB THR 33 HB THR 33 0.171 3.811 3.503 272 HG1 THR 33 HG1 THR 33 -1.633 3.316 2.588 273 1HG2 THR 33 2HG2 THR 33 0.233 6.256 1.717 274 2HG2 THR 33 1HG2 THR 33 -0.609 6.183 3.264 275 3HG2 THR 33 3HG2 THR 33 1.144 6.006 3.205 276 H PHE 34 H PHE 34 1.089 2.246 -0.462 277 HA PHE 34 HA PHE 34 1.355 4.309 -2.452 278 1HB PHE 34 2HB PHE 34 0.915 1.356 -2.451 279 2HB PHE 34 1HB PHE 34 0.879 2.271 -3.961 280 HD1 PHE 34 HD2 PHE 34 2.950 2.119 -0.818 281 HD2 PHE 34 HD1 PHE 34 2.866 2.480 -5.093 282 HE1 PHE 34 HE2 PHE 34 5.430 2.180 -0.862 283 HE2 PHE 34 HE1 PHE 34 5.342 2.543 -5.142 284 HZ PHE 34 HZ PHE 34 6.626 2.390 -3.024 285 H ARG 35 H ARG 35 -0.192 3.807 -4.527 286 HA ARG 35 HA ARG 35 -2.756 4.980 -3.789 287 1HB ARG 35 2HB ARG 35 -3.164 4.801 -6.320 288 2HB ARG 35 1HB ARG 35 -1.822 5.818 -5.809 289 1HG ARG 35 2HG ARG 35 -0.394 4.568 -7.010 290 2HG ARG 35 1HG ARG 35 -0.866 3.129 -6.110 291 1HD ARG 35 2HD ARG 35 -1.400 2.598 -8.341 292 2HD ARG 35 1HD ARG 35 -2.939 3.077 -7.638 293 HE ARG 35 HE ARG 35 -1.928 4.266 -9.905 294 1HH1 ARG 35 1HH2 ARG 35 -0.527 6.416 -8.937 295 2HH1 ARG 35 2HH2 ARG 35 -1.695 7.588 -8.425 296 1HH2 ARG 35 2HH1 ARG 35 -4.314 5.312 -8.290 297 2HH2 ARG 35 1HH1 ARG 35 -3.843 6.962 -8.054 298 H LEU 36 H LEU 36 -4.717 4.027 -5.213 299 HA LEU 36 HA LEU 36 -4.919 1.126 -4.514 300 1HB LEU 36 2HB LEU 36 -7.346 1.525 -4.243 301 2HB LEU 36 1HB LEU 36 -6.403 2.550 -3.164 302 HG LEU 36 HG LEU 36 -6.809 3.855 -5.729 303 1HD1 LEU 36 1HD1 LEU 36 -8.876 2.402 -5.652 304 2HD1 LEU 36 3HD1 LEU 36 -9.322 3.223 -4.158 305 3HD1 LEU 36 2HD1 LEU 36 -9.204 4.133 -5.663 306 1HD2 LEU 36 2HD2 LEU 36 -6.155 4.960 -3.609 307 2HD2 LEU 36 1HD2 LEU 36 -7.640 5.652 -4.262 308 3HD2 LEU 36 3HD2 LEU 36 -7.714 4.523 -2.909 309 H LEU 37 H LEU 37 -3.796 1.651 -6.936 310 HA LEU 37 HA LEU 37 -5.984 0.974 -8.861 311 1HB LEU 37 2HB LEU 37 -4.261 3.248 -8.928 312 2HB LEU 37 1HB LEU 37 -3.773 2.177 -10.241 313 HG LEU 37 HG LEU 37 -6.301 2.010 -10.775 314 1HD1 LEU 37 1HD1 LEU 37 -6.195 4.387 -8.905 315 2HD1 LEU 37 3HD1 LEU 37 -7.472 4.193 -10.107 316 3HD1 LEU 37 2HD1 LEU 37 -7.273 2.992 -8.830 317 1HD2 LEU 37 3HD2 LEU 37 -4.799 4.621 -11.153 318 2HD2 LEU 37 2HD2 LEU 37 -4.682 3.202 -12.193 319 3HD2 LEU 37 1HD2 LEU 37 -6.194 4.107 -12.103 320 H LEU 38 H LEU 38 -2.492 0.756 -8.151 321 HA LEU 38 HA LEU 38 -1.828 -1.201 -10.110 322 1HB LEU 38 2HB LEU 38 -0.273 0.204 -8.598 323 2HB LEU 38 1HB LEU 38 -0.553 -1.025 -7.371 324 HG LEU 38 HG LEU 38 1.496 -1.170 -9.091 325 1HD1 LEU 38 3HD1 LEU 38 0.638 -2.748 -7.192 326 2HD1 LEU 38 2HD1 LEU 38 0.011 -3.718 -8.524 327 3HD1 LEU 38 1HD1 LEU 38 1.740 -3.388 -8.412 328 1HD2 LEU 38 2HD2 LEU 38 -0.237 -1.250 -11.012 329 2HD2 LEU 38 1HD2 LEU 38 1.061 -2.441 -11.036 330 3HD2 LEU 38 3HD2 LEU 38 -0.548 -2.902 -10.482 331 H VAL 39 H VAL 39 -3.424 -1.483 -6.995 332 HA VAL 39 HA VAL 39 -3.084 -4.383 -6.814 333 HB VAL 39 HB VAL 39 -5.165 -2.797 -5.294 334 1HG1 VAL 39 2HG1 VAL 39 -4.527 -5.444 -5.259 335 2HG1 VAL 39 1HG1 VAL 39 -3.421 -4.837 -4.027 336 3HG1 VAL 39 3HG1 VAL 39 -5.158 -4.579 -3.858 337 1HG2 VAL 39 2HG2 VAL 39 -2.165 -2.773 -4.989 338 2HG2 VAL 39 1HG2 VAL 39 -3.295 -1.421 -4.906 339 3HG2 VAL 39 3HG2 VAL 39 -3.204 -2.577 -3.578 340 H ASP 40 H ASP 40 -6.196 -4.431 -6.037 341 HA ASP 40 HA ASP 40 -7.457 -4.200 -8.661 342 1HB ASP 40 2HB ASP 40 -6.072 -6.406 -8.609 343 2HB ASP 40 1HB ASP 40 -7.334 -6.993 -7.526 344 H THR 41 H THR 41 -8.522 -2.820 -6.791 345 HA THR 41 HA THR 41 -10.971 -4.253 -6.021 346 HB THR 41 HB THR 41 -8.813 -3.702 -4.136 347 HG1 THR 41 HG1 THR 41 -9.617 -5.622 -3.867 348 1HG2 THR 41 3HG2 THR 41 -11.576 -2.651 -3.467 349 2HG2 THR 41 2HG2 THR 41 -10.275 -2.883 -2.302 350 3HG2 THR 41 1HG2 THR 41 -10.099 -1.695 -3.592 351 HA PRO 42 HA PRO 42 -12.756 -0.367 -7.017 352 1HB PRO 42 2HB PRO 42 -14.947 -0.685 -5.200 353 2HB PRO 42 1HB PRO 42 -14.925 -1.017 -6.936 354 1HG PRO 42 2HG PRO 42 -14.998 -2.926 -4.771 355 2HG PRO 42 1HG PRO 42 -15.003 -3.252 -6.508 356 1HD PRO 42 2HD PRO 42 -12.841 -3.656 -4.642 357 2HD PRO 42 1HD PRO 42 -12.858 -3.990 -6.384 358 H GLU 43 H GLU 43 -13.640 1.656 -5.892 359 HA GLU 43 HA GLU 43 -12.002 2.213 -3.478 360 1HB GLU 43 2HB GLU 43 -12.530 4.602 -3.980 361 2HB GLU 43 1HB GLU 43 -11.748 3.784 -5.331 362 1HG GLU 43 2HG GLU 43 -13.538 4.100 -6.671 363 2HG GLU 43 1HG GLU 43 -14.649 3.498 -5.441 364 H THR 44 H THR 44 -14.306 0.586 -3.070 365 HA THR 44 HA THR 44 -16.027 0.386 -1.501 366 HB THR 44 HB THR 44 -15.555 3.291 -0.784 367 HG1 THR 44 HG1 THR 44 -13.682 2.662 -0.122 368 1HG2 THR 44 3HG2 THR 44 -16.673 0.897 0.696 369 2HG2 THR 44 2HG2 THR 44 -16.311 2.447 1.457 370 3HG2 THR 44 1HG2 THR 44 -17.550 2.347 0.205 371 H LYS 45 H LYS 45 -18.241 0.570 -1.657 372 HA LYS 45 HA LYS 45 -19.370 2.838 -3.223 373 1HB LYS 45 2HB LYS 45 -20.885 1.133 -4.378 374 2HB LYS 45 1HB LYS 45 -19.203 1.149 -4.903 375 1HG LYS 45 2HG LYS 45 -19.647 -0.648 -2.632 376 2HG LYS 45 1HG LYS 45 -20.611 -1.086 -4.041 377 1HD LYS 45 2HD LYS 45 -17.688 -0.425 -4.341 378 2HD LYS 45 1HD LYS 45 -18.194 -2.041 -3.847 379 1HE LYS 45 2HE LYS 45 -19.846 -1.787 -5.913 380 2HE LYS 45 1HE LYS 45 -18.629 -0.631 -6.453 381 1HZ LYS 45 2HZ LYS 45 -17.825 -3.307 -5.503 382 2HZ LYS 45 1HZ LYS 45 -18.378 -3.093 -7.095 383 3HZ LYS 45 3HZ LYS 45 -17.009 -2.252 -6.556 384 H HIS 46 H HIS 46 -20.590 3.762 -1.640 385 HA HIS 46 HA HIS 46 -21.980 2.149 0.367 386 1HB HIS 46 2HB HIS 46 -21.538 5.055 -0.123 387 2HB HIS 46 1HB HIS 46 -22.958 4.604 0.820 388 HD1 HIS 46 HD1 HIS 46 -22.377 2.816 2.857 389 HD2 HIS 46 HD2 HIS 46 -19.226 5.117 1.390 390 HE1 HIS 46 HE1 HIS 46 -20.553 2.733 4.611 391 HA PRO 47 HA PRO 47 -25.876 4.030 -1.885 392 1HB PRO 47 2HB PRO 47 -25.076 4.592 -4.604 393 2HB PRO 47 1HB PRO 47 -25.752 5.705 -3.409 394 1HG PRO 47 2HG PRO 47 -23.044 5.603 -4.350 395 2HG PRO 47 1HG PRO 47 -23.709 6.661 -3.098 396 1HD PRO 47 2HD PRO 47 -21.944 4.401 -2.763 397 2HD PRO 47 1HD PRO 47 -22.575 5.491 -1.513 398 H LYS 48 H LYS 48 -23.604 2.594 -4.274 399 HA LYS 48 HA LYS 48 -25.654 0.613 -5.046 400 1HB LYS 48 2HB LYS 48 -23.349 1.785 -6.294 401 2HB LYS 48 1HB LYS 48 -23.143 0.035 -6.261 402 1HG LYS 48 2HG LYS 48 -25.741 1.295 -7.142 403 2HG LYS 48 1HG LYS 48 -24.414 1.030 -8.274 404 1HD LYS 48 2HD LYS 48 -24.390 -1.396 -7.484 405 2HD LYS 48 1HD LYS 48 -25.917 -1.051 -6.669 406 1HE LYS 48 2HE LYS 48 -26.905 -0.350 -8.821 407 2HE LYS 48 1HE LYS 48 -25.385 -0.712 -9.636 408 1HZ LYS 48 1HZ LYS 48 -27.030 -2.671 -8.125 409 2HZ LYS 48 3HZ LYS 48 -26.974 -2.537 -9.815 410 3HZ LYS 48 2HZ LYS 48 -25.586 -3.008 -8.956 411 H LYS 49 H LYS 49 -25.129 -1.713 -5.025 412 HA LYS 49 HA LYS 49 -23.411 -2.419 -2.685 413 1HB LYS 49 2HB LYS 49 -24.906 -4.682 -3.155 414 2HB LYS 49 1HB LYS 49 -25.308 -3.443 -1.973 415 1HG LYS 49 2HG LYS 49 -27.298 -3.689 -3.206 416 2HG LYS 49 1HG LYS 49 -26.552 -2.271 -3.935 417 1HD LYS 49 2HD LYS 49 -25.866 -3.460 -5.848 418 2HD LYS 49 1HD LYS 49 -26.003 -5.022 -5.037 419 1HE LYS 49 2HE LYS 49 -28.526 -4.477 -4.845 420 2HE LYS 49 1HE LYS 49 -28.212 -3.243 -6.065 421 1HZ LYS 49 2HZ LYS 49 -27.302 -4.951 -7.511 422 2HZ LYS 49 1HZ LYS 49 -27.611 -6.140 -6.336 423 3HZ LYS 49 3HZ LYS 49 -28.901 -5.324 -7.074 424 H GLY 50 H GLY 50 -21.439 -2.904 -3.529 425 1HA GLY 50 2HA GLY 50 -21.286 -4.584 -5.983 426 2HA GLY 50 1HA GLY 50 -19.955 -3.654 -5.298 427 H VAL 51 H VAL 51 -20.114 -6.560 -5.974 428 HA VAL 51 HA VAL 51 -19.733 -7.741 -3.260 429 HB VAL 51 HB VAL 51 -19.891 -9.335 -5.802 430 1HG1 VAL 51 3HG1 VAL 51 -19.212 -10.277 -3.502 431 2HG1 VAL 51 2HG1 VAL 51 -20.894 -10.020 -3.038 432 3HG1 VAL 51 1HG1 VAL 51 -20.503 -11.119 -4.360 433 1HG2 VAL 51 3HG2 VAL 51 -22.167 -8.161 -4.190 434 2HG2 VAL 51 2HG2 VAL 51 -21.896 -8.031 -5.928 435 3HG2 VAL 51 1HG2 VAL 51 -22.373 -9.576 -5.222 436 H GLU 52 H GLU 52 -17.706 -6.044 -4.371 437 HA GLU 52 HA GLU 52 -15.566 -8.028 -5.030 438 1HB GLU 52 2HB GLU 52 -16.289 -5.641 -6.341 439 2HB GLU 52 1HB GLU 52 -14.793 -5.270 -5.484 440 1HG GLU 52 2HG GLU 52 -14.731 -7.901 -6.775 441 2HG GLU 52 1HG GLU 52 -14.971 -6.587 -7.924 442 H LYS 53 H LYS 53 -16.505 -7.465 -2.331 443 HA LYS 53 HA LYS 53 -14.271 -5.888 -1.153 444 1HB LYS 53 2HB LYS 53 -15.545 -6.082 0.970 445 2HB LYS 53 1HB LYS 53 -16.509 -5.350 -0.310 446 1HG LYS 53 2HG LYS 53 -16.821 -8.215 -0.407 447 2HG LYS 53 1HG LYS 53 -17.145 -7.645 1.230 448 1HD LYS 53 2HD LYS 53 -18.606 -5.835 0.141 449 2HD LYS 53 1HD LYS 53 -18.488 -6.789 -1.338 450 1HE LYS 53 2HE LYS 53 -19.188 -8.339 1.080 451 2HE LYS 53 1HE LYS 53 -20.404 -7.166 0.575 452 1HZ LYS 53 3HZ LYS 53 -19.156 -9.011 -1.367 453 2HZ LYS 53 2HZ LYS 53 -20.495 -9.487 -0.436 454 3HZ LYS 53 1HZ LYS 53 -20.621 -8.166 -1.497 455 H TYR 54 H TYR 54 -13.289 -6.902 0.893 456 HA TYR 54 HA TYR 54 -11.988 -8.615 1.820 457 1HB TYR 54 2HB TYR 54 -14.600 -9.860 1.165 458 2HB TYR 54 1HB TYR 54 -13.264 -10.993 1.370 459 HD1 TYR 54 HD1 TYR 54 -15.324 -8.412 3.010 460 HD2 TYR 54 HD2 TYR 54 -12.131 -11.242 3.512 461 HE1 TYR 54 HE1 TYR 54 -15.478 -8.150 5.471 462 HE2 TYR 54 HE2 TYR 54 -12.285 -10.980 5.973 463 HH TYR 54 HH TYR 54 -14.601 -10.053 7.580 464 H GLY 55 H GLY 55 -10.483 -8.095 0.025 465 1HA GLY 55 2HA GLY 55 -10.239 -9.114 -2.500 466 2HA GLY 55 1HA GLY 55 -8.845 -8.974 -1.436 467 HA PRO 56 HA PRO 56 -10.599 -13.531 -1.584 468 1HB PRO 56 2HB PRO 56 -11.010 -14.023 -4.357 469 2HB PRO 56 1HB PRO 56 -12.250 -13.930 -3.099 470 1HG PRO 56 2HG PRO 56 -11.720 -12.034 -5.222 471 2HG PRO 56 1HG PRO 56 -13.005 -11.983 -4.006 472 1HD PRO 56 2HD PRO 56 -10.602 -10.376 -4.131 473 2HD PRO 56 1HD PRO 56 -11.924 -10.285 -2.950 474 H GLU 57 H GLU 57 -9.707 -15.333 -3.561 475 HA GLU 57 HA GLU 57 -6.820 -15.074 -3.314 476 1HB GLU 57 2HB GLU 57 -8.399 -17.230 -3.489 477 2HB GLU 57 1HB GLU 57 -8.017 -17.054 -5.203 478 1HG GLU 57 2HG GLU 57 -5.610 -17.043 -4.673 479 2HG GLU 57 1HG GLU 57 -5.982 -17.205 -2.957 480 H ALA 58 H ALA 58 -9.184 -14.739 -5.955 481 HA ALA 58 HA ALA 58 -7.345 -14.406 -8.107 482 1HB ALA 58 2HB ALA 58 -9.818 -14.706 -8.367 483 2HB ALA 58 1HB ALA 58 -10.044 -13.059 -7.776 484 3HB ALA 58 3HB ALA 58 -9.191 -13.342 -9.293 485 H SER 59 H SER 59 -8.841 -11.990 -5.935 486 HA SER 59 HA SER 59 -7.373 -9.760 -7.092 487 1HB SER 59 2HB SER 59 -9.603 -9.662 -5.804 488 2HB SER 59 1HB SER 59 -8.632 -9.816 -4.342 489 HG SER 59 HG SER 59 -8.287 -7.760 -4.539 490 H ALA 60 H ALA 60 -6.836 -12.042 -4.456 491 HA ALA 60 HA ALA 60 -4.741 -10.592 -3.123 492 1HB ALA 60 2HB ALA 60 -5.409 -13.541 -3.249 493 2HB ALA 60 1HB ALA 60 -4.111 -12.892 -2.248 494 3HB ALA 60 3HB ALA 60 -5.781 -12.407 -1.950 495 H PHE 61 H PHE 61 -4.781 -12.543 -6.045 496 HA PHE 61 HA PHE 61 -2.038 -13.267 -6.215 497 1HB PHE 61 2HB PHE 61 -3.982 -12.518 -8.424 498 2HB PHE 61 1HB PHE 61 -2.409 -13.264 -8.696 499 HD1 PHE 61 HD1 PHE 61 -2.384 -15.115 -6.274 500 HD2 PHE 61 HD2 PHE 61 -5.420 -14.257 -9.191 501 HE1 PHE 61 HE1 PHE 61 -3.382 -17.353 -5.897 502 HE2 PHE 61 HE2 PHE 61 -6.417 -16.495 -8.810 503 HZ PHE 61 HZ PHE 61 -5.397 -18.043 -7.165 504 H THR 62 H THR 62 -3.688 -10.287 -7.312 505 HA THR 62 HA THR 62 -1.263 -9.006 -8.263 506 HB THR 62 HB THR 62 -3.783 -7.597 -7.332 507 HG1 THR 62 HG1 THR 62 -4.744 -8.720 -8.812 508 1HG2 THR 62 1HG2 THR 62 -1.722 -6.279 -7.967 509 2HG2 THR 62 3HG2 THR 62 -1.880 -6.949 -9.592 510 3HG2 THR 62 2HG2 THR 62 -3.153 -5.922 -8.935 511 H LYS 63 H LYS 63 -2.963 -9.168 -5.187 512 HA LYS 63 HA LYS 63 -1.375 -7.096 -3.890 513 1HB LYS 63 2HB LYS 63 -3.785 -8.064 -3.345 514 2HB LYS 63 1HB LYS 63 -2.862 -9.201 -2.365 515 1HG LYS 63 2HG LYS 63 -1.657 -6.961 -1.559 516 2HG LYS 63 1HG LYS 63 -3.201 -6.252 -2.035 517 1HD LYS 63 2HD LYS 63 -2.829 -8.562 -0.105 518 2HD LYS 63 1HD LYS 63 -3.259 -6.909 0.333 519 1HE LYS 63 2HE LYS 63 -5.426 -7.456 0.051 520 2HE LYS 63 1HE LYS 63 -5.101 -7.682 -1.667 521 1HZ LYS 63 3HZ LYS 63 -4.375 -9.975 -1.115 522 2HZ LYS 63 2HZ LYS 63 -4.914 -9.726 0.478 523 3HZ LYS 63 1HZ LYS 63 -6.020 -9.686 -0.813 524 H LYS 64 H LYS 64 -0.728 -10.341 -4.737 525 HA LYS 64 HA LYS 64 0.812 -11.142 -2.437 526 1HB LYS 64 2HB LYS 64 0.559 -12.112 -5.270 527 2HB LYS 64 1HB LYS 64 1.883 -12.708 -4.277 528 1HG LYS 64 2HG LYS 64 -1.079 -13.051 -3.862 529 2HG LYS 64 1HG LYS 64 0.177 -14.283 -3.903 530 1HD LYS 64 2HD LYS 64 1.111 -13.084 -1.796 531 2HD LYS 64 1HD LYS 64 -0.488 -12.347 -1.698 532 1HE LYS 64 2HE LYS 64 -1.561 -14.483 -1.510 533 2HE LYS 64 1HE LYS 64 -0.074 -15.336 -1.924 534 1HZ LYS 64 1HZ LYS 64 -0.474 -13.669 0.503 535 2HZ LYS 64 3HZ LYS 64 -0.514 -15.364 0.463 536 3HZ LYS 64 2HZ LYS 64 0.930 -14.543 0.110 537 H MET 65 H MET 65 1.422 -8.910 -4.959 538 HA MET 65 HA MET 65 4.238 -9.116 -5.254 539 1HB MET 65 2HB MET 65 4.115 -6.974 -6.226 540 2HB MET 65 1HB MET 65 2.501 -7.627 -6.489 541 1HG MET 65 2HG MET 65 2.047 -6.489 -4.119 542 2HG MET 65 1HG MET 65 3.390 -5.465 -4.627 543 1HE MET 65 1HE MET 65 0.259 -5.389 -4.006 544 2HE MET 65 3HE MET 65 0.673 -3.707 -4.363 545 3HE MET 65 2HE MET 65 -0.649 -4.493 -5.222 546 H LEU 66 H LEU 66 2.439 -8.414 -2.446 547 HA LEU 66 HA LEU 66 4.818 -7.180 -1.125 548 1HB LEU 66 2HB LEU 66 1.960 -6.468 -1.113 549 2HB LEU 66 1HB LEU 66 2.672 -6.577 0.494 550 HG LEU 66 HG LEU 66 4.626 -5.191 -0.722 551 1HD1 LEU 66 1HD1 LEU 66 2.110 -4.749 -2.314 552 2HD1 LEU 66 3HD1 LEU 66 3.258 -3.427 -2.101 553 3HD1 LEU 66 2HD1 LEU 66 3.770 -4.920 -2.886 554 1HD2 LEU 66 3HD2 LEU 66 2.107 -4.403 0.683 555 2HD2 LEU 66 2HD2 LEU 66 3.784 -4.202 1.192 556 3HD2 LEU 66 1HD2 LEU 66 3.091 -3.115 -0.011 557 H GLU 67 H GLU 67 2.535 -9.830 -1.115 558 HA GLU 67 HA GLU 67 2.929 -10.479 1.710 559 1HB GLU 67 2HB GLU 67 1.361 -11.572 -0.566 560 2HB GLU 67 1HB GLU 67 1.807 -12.710 0.705 561 1HG GLU 67 2HG GLU 67 0.092 -11.914 1.928 562 2HG GLU 67 1HG GLU 67 0.959 -10.384 2.048 563 H ASN 68 H ASN 68 4.506 -11.279 -1.299 564 HA ASN 68 HA ASN 68 6.387 -13.002 0.216 565 1HB ASN 68 2HB ASN 68 6.163 -14.870 -1.283 566 2HB ASN 68 1HB ASN 68 4.553 -14.442 -0.710 567 1HD2 ASN 68 2HD2 ASN 68 3.673 -12.958 -3.970 568 2HD2 ASN 68 1HD2 ASN 68 3.523 -12.549 -2.326 569 H ALA 69 H ALA 69 5.819 -10.894 -2.530 570 HA ALA 69 HA ALA 69 8.220 -11.541 -3.990 571 1HB ALA 69 3HB ALA 69 6.129 -10.158 -4.734 572 2HB ALA 69 2HB ALA 69 6.989 -8.797 -4.011 573 3HB ALA 69 1HB ALA 69 7.720 -9.696 -5.340 574 H LYS 70 H LYS 70 10.293 -10.955 -3.610 575 HA LYS 70 HA LYS 70 10.850 -9.195 -1.275 576 1HB LYS 70 2HB LYS 70 11.888 -11.603 -1.801 577 2HB LYS 70 1HB LYS 70 13.024 -10.636 -2.739 578 1HG LYS 70 2HG LYS 70 13.863 -9.551 -0.869 579 2HG LYS 70 1HG LYS 70 12.369 -9.753 0.047 580 1HD LYS 70 2HD LYS 70 12.851 -12.229 0.133 581 2HD LYS 70 1HD LYS 70 14.428 -11.887 -0.579 582 1HE LYS 70 2HE LYS 70 13.640 -10.288 1.814 583 2HE LYS 70 1HE LYS 70 14.064 -11.978 2.077 584 1HZ LYS 70 3HZ LYS 70 15.749 -9.994 0.646 585 2HZ LYS 70 2HZ LYS 70 15.991 -10.516 2.244 586 3HZ LYS 70 1HZ LYS 70 16.158 -11.611 0.955 587 H LYS 71 H LYS 71 11.969 -9.668 -4.654 588 HA LYS 71 HA LYS 71 13.300 -7.049 -4.674 589 1HB LYS 71 2HB LYS 71 12.724 -9.054 -6.881 590 2HB LYS 71 1HB LYS 71 13.643 -7.567 -7.113 591 1HG LYS 71 2HG LYS 71 15.411 -8.296 -5.738 592 2HG LYS 71 1HG LYS 71 14.419 -9.529 -4.960 593 1HD LYS 71 2HD LYS 71 15.028 -9.637 -7.915 594 2HD LYS 71 1HD LYS 71 16.128 -10.328 -6.723 595 1HE LYS 71 2HE LYS 71 13.198 -11.024 -6.674 596 2HE LYS 71 1HE LYS 71 14.297 -11.868 -7.763 597 1HZ LYS 71 2HZ LYS 71 15.700 -12.376 -5.819 598 2HZ LYS 71 1HZ LYS 71 14.524 -11.681 -4.808 599 3HZ LYS 71 3HZ LYS 71 14.151 -13.066 -5.713 600 H ILE 72 H ILE 72 12.230 -5.152 -5.096 601 HA ILE 72 HA ILE 72 9.750 -5.287 -6.735 602 HB ILE 72 HB ILE 72 9.977 -3.668 -4.204 603 1HG1 ILE 72 2HG1 ILE 72 8.401 -6.224 -4.568 604 2HG1 ILE 72 1HG1 ILE 72 10.002 -6.190 -3.834 605 1HG2 ILE 72 1HG2 ILE 72 8.402 -2.941 -6.043 606 2HG2 ILE 72 3HG2 ILE 72 7.536 -4.457 -5.798 607 3HG2 ILE 72 2HG2 ILE 72 7.632 -3.274 -4.494 608 1HD1 ILE 72 1HD1 ILE 72 7.694 -4.499 -2.846 609 2HD1 ILE 72 3HD1 ILE 72 8.073 -6.095 -2.193 610 3HD1 ILE 72 2HD1 ILE 72 9.241 -4.781 -2.045 611 H GLU 73 H GLU 73 10.342 -4.083 -8.476 612 HA GLU 73 HA GLU 73 12.086 -1.742 -8.169 613 1HB GLU 73 2HB GLU 73 10.632 -2.828 -10.614 614 2HB GLU 73 1HB GLU 73 11.831 -1.539 -10.632 615 1HG GLU 73 2HG GLU 73 13.174 -3.367 -11.141 616 2HG GLU 73 1HG GLU 73 13.324 -3.332 -9.384 617 H VAL 74 H VAL 74 10.437 -0.818 -6.635 618 HA VAL 74 HA VAL 74 7.847 0.012 -7.472 619 HB VAL 74 HB VAL 74 9.376 1.713 -5.541 620 1HG1 VAL 74 3HG1 VAL 74 6.645 1.111 -6.213 621 2HG1 VAL 74 2HG1 VAL 74 6.939 0.722 -4.518 622 3HG1 VAL 74 1HG1 VAL 74 7.269 2.347 -5.120 623 1HG2 VAL 74 1HG2 VAL 74 8.856 -1.213 -5.257 624 2HG2 VAL 74 3HG2 VAL 74 10.179 -0.242 -4.611 625 3HG2 VAL 74 2HG2 VAL 74 8.590 -0.186 -3.850 626 H GLU 75 H GLU 75 7.474 1.258 -9.178 627 HA GLU 75 HA GLU 75 9.392 3.364 -9.995 628 1HB GLU 75 2HB GLU 75 7.884 1.544 -11.400 629 2HB GLU 75 1HB GLU 75 6.876 2.987 -11.504 630 1HG GLU 75 2HG GLU 75 8.429 4.147 -12.736 631 2HG GLU 75 1HG GLU 75 9.794 3.321 -11.994 632 H PHE 76 H PHE 76 9.067 5.247 -8.734 633 HA PHE 76 HA PHE 76 6.292 6.325 -8.696 634 1HB PHE 76 2HB PHE 76 6.515 6.807 -6.237 635 2HB PHE 76 1HB PHE 76 6.427 5.095 -6.628 636 HD1 PHE 76 HD1 PHE 76 8.497 3.688 -6.613 637 HD2 PHE 76 HD2 PHE 76 8.498 7.760 -5.242 638 HE1 PHE 76 HE1 PHE 76 10.658 3.304 -5.463 639 HE2 PHE 76 HE2 PHE 76 10.659 7.373 -4.097 640 HZ PHE 76 HZ PHE 76 11.739 5.147 -4.208 641 H ASP 77 H ASP 77 8.098 7.623 -10.329 642 HA ASP 77 HA ASP 77 8.877 9.797 -10.710 643 1HB ASP 77 2HB ASP 77 6.848 10.338 -9.236 644 2HB ASP 77 1HB ASP 77 8.004 10.521 -7.917 645 H LYS 78 H LYS 78 10.807 10.957 -10.411 646 HA LYS 78 HA LYS 78 13.002 9.695 -9.174 647 1HB LYS 78 2HB LYS 78 12.445 12.451 -10.172 648 2HB LYS 78 1HB LYS 78 13.843 12.254 -9.114 649 1HG LYS 78 2HG LYS 78 13.442 10.333 -11.388 650 2HG LYS 78 1HG LYS 78 14.116 11.930 -11.713 651 1HD LYS 78 2HD LYS 78 15.864 11.523 -9.995 652 2HD LYS 78 1HD LYS 78 15.210 9.906 -9.737 653 1HE LYS 78 2HE LYS 78 16.752 9.319 -11.318 654 2HE LYS 78 1HE LYS 78 15.510 9.875 -12.438 655 1HZ LYS 78 2HZ LYS 78 16.540 12.100 -12.339 656 2HZ LYS 78 1HZ LYS 78 17.793 11.457 -11.387 657 3HZ LYS 78 3HZ LYS 78 17.578 10.918 -12.980 658 H GLY 79 H GLY 79 10.879 12.263 -7.870 659 1HA GLY 79 2HA GLY 79 12.077 11.801 -5.180 660 2HA GLY 79 1HA GLY 79 11.294 13.304 -5.676 661 H GLN 80 H GLN 80 10.127 12.625 -3.548 662 HA GLN 80 HA GLN 80 8.074 10.566 -3.862 663 1HB GLN 80 2HB GLN 80 9.338 11.491 -1.665 664 2HB GLN 80 1HB GLN 80 7.903 12.515 -1.619 665 1HG GLN 80 2HG GLN 80 7.691 10.308 -0.373 666 2HG GLN 80 1HG GLN 80 6.440 10.609 -1.578 667 1HE2 GLN 80 2HE2 GLN 80 7.187 7.601 -3.239 668 2HE2 GLN 80 1HE2 GLN 80 6.025 8.751 -2.785 669 H ARG 81 H ARG 81 5.970 10.906 -4.424 670 HA ARG 81 HA ARG 81 5.225 13.668 -5.226 671 1HB ARG 81 2HB ARG 81 4.410 10.923 -6.035 672 2HB ARG 81 1HB ARG 81 3.145 12.151 -6.070 673 1HG ARG 81 2HG ARG 81 4.366 13.515 -7.591 674 2HG ARG 81 1HG ARG 81 5.853 12.603 -7.334 675 1HD ARG 81 2HD ARG 81 5.005 10.700 -8.498 676 2HD ARG 81 1HD ARG 81 3.361 11.334 -8.487 677 HE ARG 81 HE ARG 81 5.035 11.751 -10.618 678 1HH1 ARG 81 1HH2 ARG 81 6.326 14.109 -9.834 679 2HH1 ARG 81 2HH2 ARG 81 5.191 15.389 -10.107 680 1HH2 ARG 81 2HH1 ARG 81 2.439 13.274 -10.261 681 2HH2 ARG 81 1HH1 ARG 81 2.985 14.915 -10.349 682 H THR 82 H THR 82 5.213 13.848 -2.657 683 HA THR 82 HA THR 82 2.826 12.841 -1.346 684 HB THR 82 HB THR 82 3.584 14.305 0.533 685 HG1 THR 82 HG1 THR 82 4.774 15.910 -0.094 686 1HG2 THR 82 3HG2 THR 82 4.499 11.920 -0.065 687 2HG2 THR 82 2HG2 THR 82 5.980 12.790 -0.464 688 3HG2 THR 82 1HG2 THR 82 5.321 12.875 1.169 689 H ASP 83 H ASP 83 1.223 14.296 -0.422 690 HA ASP 83 HA ASP 83 0.978 17.010 -1.359 691 1HB ASP 83 2HB ASP 83 0.504 15.718 -3.441 692 2HB ASP 83 1HB ASP 83 -0.889 15.004 -2.630 693 H LYS 84 H LYS 84 -1.615 14.588 -0.872 694 HA LYS 84 HA LYS 84 -2.978 16.384 0.980 695 1HB LYS 84 2HB LYS 84 -4.648 14.569 1.131 696 2HB LYS 84 1HB LYS 84 -4.244 14.933 -0.546 697 1HG LYS 84 2HG LYS 84 -3.487 12.839 -0.892 698 2HG LYS 84 1HG LYS 84 -2.440 12.928 0.524 699 1HD LYS 84 2HD LYS 84 -3.829 11.316 1.344 700 2HD LYS 84 1HD LYS 84 -4.877 12.684 1.721 701 1HE LYS 84 2HE LYS 84 -6.027 12.410 -0.443 702 2HE LYS 84 1HE LYS 84 -4.974 11.050 -0.833 703 1HZ LYS 84 3HZ LYS 84 -6.826 11.187 1.486 704 2HZ LYS 84 2HZ LYS 84 -7.098 10.311 0.056 705 3HZ LYS 84 1HZ LYS 84 -5.825 9.874 1.093 706 H TYR 85 H TYR 85 -0.384 14.398 1.438 707 HA TYR 85 HA TYR 85 -0.138 14.590 4.195 708 1HB TYR 85 2HB TYR 85 -2.129 13.326 4.617 709 2HB TYR 85 1HB TYR 85 -1.743 12.155 3.359 710 HD1 TYR 85 HD1 TYR 85 -0.563 13.470 6.655 711 HD2 TYR 85 HD2 TYR 85 -0.516 10.203 3.866 712 HE1 TYR 85 HE1 TYR 85 0.608 12.059 8.326 713 HE2 TYR 85 HE2 TYR 85 0.654 8.793 5.535 714 HH TYR 85 HH TYR 85 2.296 9.565 7.766 715 H GLY 86 H GLY 86 0.229 12.580 1.331 716 1HA GLY 86 2HA GLY 86 2.925 12.512 1.077 717 2HA GLY 86 1HA GLY 86 2.653 11.265 2.297 718 H ARG 87 H ARG 87 1.038 9.581 1.733 719 HA ARG 87 HA ARG 87 0.440 7.795 0.333 720 1HB ARG 87 2HB ARG 87 -0.806 10.113 -0.558 721 2HB ARG 87 1HB ARG 87 -0.094 9.442 -2.021 722 1HG ARG 87 2HG ARG 87 -2.461 8.658 -1.466 723 2HG ARG 87 1HG ARG 87 -1.277 7.394 -1.783 724 1HD ARG 87 2HD ARG 87 -0.966 7.600 0.877 725 2HD ARG 87 1HD ARG 87 -2.626 8.153 0.772 726 HE ARG 87 HE ARG 87 -1.588 5.436 0.407 727 1HH1 ARG 87 2HH1 ARG 87 -2.702 6.285 -2.333 728 2HH1 ARG 87 1HH1 ARG 87 -4.305 5.642 -2.237 729 1HH2 ARG 87 1HH2 ARG 87 -4.212 5.186 1.201 730 2HH2 ARG 87 2HH2 ARG 87 -5.160 5.019 -0.239 731 H VAL 88 H VAL 88 0.803 6.853 -1.995 732 HA VAL 88 HA VAL 88 3.304 7.794 -3.198 733 HB VAL 88 HB VAL 88 3.100 5.138 -1.776 734 1HG1 VAL 88 3HG1 VAL 88 5.061 6.110 -3.899 735 2HG1 VAL 88 2HG1 VAL 88 5.422 4.787 -2.792 736 3HG1 VAL 88 1HG1 VAL 88 4.098 4.635 -3.942 737 1HG2 VAL 88 2HG2 VAL 88 4.780 7.640 -1.693 738 2HG2 VAL 88 1HG2 VAL 88 3.891 6.870 -0.380 739 3HG2 VAL 88 3HG2 VAL 88 5.367 6.131 -0.998 740 H LEU 89 H LEU 89 1.483 8.181 -4.563 741 HA LEU 89 HA LEU 89 0.035 6.276 -6.065 742 1HB LEU 89 2HB LEU 89 0.341 8.251 -7.892 743 2HB LEU 89 1HB LEU 89 -0.789 8.364 -6.555 744 HG LEU 89 HG LEU 89 0.822 10.356 -7.020 745 1HD1 LEU 89 3HD1 LEU 89 -0.254 9.267 -4.584 746 2HD1 LEU 89 2HD1 LEU 89 1.201 10.213 -4.269 747 3HD1 LEU 89 1HD1 LEU 89 -0.162 10.944 -5.118 748 1HD2 LEU 89 2HD2 LEU 89 2.741 8.317 -6.248 749 2HD2 LEU 89 1HD2 LEU 89 3.011 9.893 -6.978 750 3HD2 LEU 89 3HD2 LEU 89 2.844 9.748 -5.231 751 H ALA 90 H ALA 90 1.553 4.528 -6.549 752 HA ALA 90 HA ALA 90 3.111 5.022 -9.002 753 1HB ALA 90 1HB ALA 90 4.312 4.808 -6.338 754 2HB ALA 90 3HB ALA 90 5.001 3.685 -7.510 755 3HB ALA 90 2HB ALA 90 5.000 5.417 -7.840 756 H TYR 91 H TYR 91 4.535 2.794 -9.289 757 HA TYR 91 HA TYR 91 2.537 0.586 -9.074 758 1HB TYR 91 2HB TYR 91 4.381 1.468 -11.223 759 2HB TYR 91 1HB TYR 91 4.198 -0.276 -11.010 760 HD1 TYR 91 HD1 TYR 91 1.804 2.570 -10.549 761 HD2 TYR 91 HD2 TYR 91 2.706 -1.076 -12.629 762 HE1 TYR 91 HE1 TYR 91 -0.412 2.650 -11.636 763 HE2 TYR 91 HE2 TYR 91 0.490 -0.997 -13.722 764 HH TYR 91 HH TYR 91 -1.265 1.403 -14.164 765 H ILE 92 H ILE 92 3.255 -1.482 -8.517 766 HA ILE 92 HA ILE 92 5.908 -1.563 -7.144 767 HB ILE 92 HB ILE 92 3.492 -3.309 -6.570 768 1HG1 ILE 92 2HG1 ILE 92 2.852 -1.013 -6.084 769 2HG1 ILE 92 1HG1 ILE 92 3.196 -1.827 -4.557 770 1HG2 ILE 92 2HG2 ILE 92 6.009 -2.684 -5.000 771 2HG2 ILE 92 1HG2 ILE 92 4.700 -3.733 -4.456 772 3HG2 ILE 92 3HG2 ILE 92 5.678 -4.193 -5.851 773 1HD1 ILE 92 1HD1 ILE 92 5.673 -0.856 -5.223 774 2HD1 ILE 92 3HD1 ILE 92 4.619 0.406 -5.858 775 3HD1 ILE 92 2HD1 ILE 92 4.537 -0.036 -4.154 776 H TYR 93 H TYR 93 7.278 -2.545 -8.558 777 HA TYR 93 HA TYR 93 6.297 -4.800 -10.224 778 1HB TYR 93 2HB TYR 93 8.936 -3.306 -10.226 779 2HB TYR 93 1HB TYR 93 8.488 -4.572 -11.368 780 HD1 TYR 93 HD2 TYR 93 5.432 -3.578 -11.211 781 HD2 TYR 93 HD1 TYR 93 9.193 -1.730 -12.134 782 HE1 TYR 93 HE2 TYR 93 4.270 -1.925 -12.608 783 HE2 TYR 93 HE1 TYR 93 8.032 -0.074 -13.536 784 HH TYR 93 HH TYR 93 5.157 -0.380 -14.771 785 H ALA 94 H ALA 94 6.101 -6.246 -8.377 786 HA ALA 94 HA ALA 94 8.721 -7.143 -7.364 787 1HB ALA 94 2HB ALA 94 6.770 -6.277 -5.805 788 2HB ALA 94 1HB ALA 94 6.161 -7.916 -6.024 789 3HB ALA 94 3HB ALA 94 7.756 -7.654 -5.318 790 H ASP 95 H ASP 95 9.402 -9.018 -8.174 791 HA ASP 95 HA ASP 95 9.432 -11.217 -8.965 792 1HB ASP 95 2HB ASP 95 7.723 -11.557 -7.102 793 2HB ASP 95 1HB ASP 95 6.475 -11.365 -8.332 794 H GLY 96 H GLY 96 6.155 -10.034 -9.879 795 1HA GLY 96 2HA GLY 96 6.382 -11.073 -12.563 796 2HA GLY 96 1HA GLY 96 5.121 -9.986 -11.985 797 H LYS 97 H LYS 97 7.443 -8.113 -11.072 798 HA LYS 97 HA LYS 97 8.740 -6.373 -11.971 799 1HB LYS 97 2HB LYS 97 8.927 -8.397 -13.970 800 2HB LYS 97 1HB LYS 97 8.633 -6.864 -14.789 801 1HG LYS 97 2HG LYS 97 10.957 -6.849 -14.579 802 2HG LYS 97 1HG LYS 97 10.462 -5.951 -13.145 803 1HD LYS 97 2HD LYS 97 10.764 -7.850 -11.729 804 2HD LYS 97 1HD LYS 97 10.902 -8.942 -13.108 805 1HE LYS 97 2HE LYS 97 12.982 -7.725 -13.797 806 2HE LYS 97 1HE LYS 97 12.871 -6.777 -12.315 807 1HZ LYS 97 1HZ LYS 97 12.930 -8.880 -11.061 808 2HZ LYS 97 3HZ LYS 97 13.171 -9.726 -12.513 809 3HZ LYS 97 2HZ LYS 97 14.341 -8.619 -11.971 810 H MET 98 H MET 98 5.534 -7.040 -12.779 811 HA MET 98 HA MET 98 4.943 -4.240 -13.248 812 1HB MET 98 2HB MET 98 5.746 -5.419 -15.517 813 2HB MET 98 1HB MET 98 4.060 -5.938 -15.541 814 1HG MET 98 2HG MET 98 3.269 -3.813 -15.867 815 2HG MET 98 1HG MET 98 4.537 -3.079 -14.885 816 1HE MET 98 3HE MET 98 7.023 -3.274 -15.546 817 2HE MET 98 2HE MET 98 7.467 -2.494 -17.063 818 3HE MET 98 1HE MET 98 6.387 -1.671 -15.941 819 H VAL 99 H VAL 99 4.147 -6.578 -11.522 820 HA VAL 99 HA VAL 99 2.251 -7.541 -10.596 821 HB VAL 99 HB VAL 99 1.906 -4.857 -10.709 822 1HG1 VAL 99 2HG1 VAL 99 0.388 -5.581 -12.869 823 2HG1 VAL 99 1HG1 VAL 99 -0.813 -5.638 -11.582 824 3HG1 VAL 99 3HG1 VAL 99 0.084 -4.151 -11.887 825 1HG2 VAL 99 1HG2 VAL 99 0.193 -7.083 -9.628 826 2HG2 VAL 99 3HG2 VAL 99 1.284 -6.002 -8.763 827 3HG2 VAL 99 2HG2 VAL 99 -0.263 -5.401 -9.359 828 H ASN 100 H ASN 100 2.832 -7.972 -13.620 829 HA ASN 100 HA ASN 100 0.185 -8.516 -14.747 830 1HB ASN 100 2HB ASN 100 3.005 -8.675 -15.664 831 2HB ASN 100 1HB ASN 100 1.888 -9.818 -16.406 832 1HD2 ASN 100 2HD2 ASN 100 1.184 -5.794 -16.967 833 2HD2 ASN 100 1HD2 ASN 100 1.979 -6.298 -15.555 834 H GLU 101 H GLU 101 2.484 -10.242 -12.795 835 HA GLU 101 HA GLU 101 2.077 -12.926 -13.491 836 1HB GLU 101 2HB GLU 101 2.543 -11.564 -10.843 837 2HB GLU 101 1HB GLU 101 2.313 -13.311 -10.921 838 1HG GLU 101 2HG GLU 101 4.265 -12.049 -12.810 839 2HG GLU 101 1HG GLU 101 4.739 -12.252 -11.125 840 H ALA 102 H ALA 102 0.010 -10.849 -11.456 841 HA ALA 102 HA ALA 102 -1.896 -12.945 -10.839 842 1HB ALA 102 1HB ALA 102 -1.573 -10.828 -9.500 843 2HB ALA 102 3HB ALA 102 -2.363 -9.950 -10.810 844 3HB ALA 102 2HB ALA 102 -3.253 -11.175 -9.907 845 H LEU 103 HN LEU 103 -3.466 -13.730 -12.157 846 HA LEU 103 HA LEU 103 -3.903 -12.484 -14.789 847 1HB LEU 103 2HB LEU 103 -4.267 -15.122 -13.607 848 2HB LEU 103 1HB LEU 103 -5.701 -14.619 -14.498 849 HG LEU 103 HG LEU 103 -4.114 -15.809 -15.967 850 1HD1 LEU 103 1HD1 LEU 103 -5.540 -13.769 -16.706 851 2HD1 LEU 103 3HD1 LEU 103 -4.009 -12.896 -16.736 852 3HD1 LEU 103 2HD1 LEU 103 -4.242 -14.302 -17.774 853 1HD2 LEU 103 2HD2 LEU 103 -2.080 -15.021 -14.633 854 2HD2 LEU 103 1HD2 LEU 103 -1.904 -14.990 -16.387 855 3HD2 LEU 103 3HD2 LEU 103 -2.217 -13.495 -15.506 No H/Q in entry = 855 Start of MODEL 4 Raw file had 866 H/Q atoms Start of MODEL 4 1 1H ALA 1 2H ALA 1 15.955 12.468 -10.971 2 2H ALA 1 1H ALA 1 14.949 13.437 -10.004 3 3H ALA 1 3H ALA 1 15.115 11.784 -9.663 4 HA ALA 1 HA ALA 1 14.046 11.207 -11.747 5 1HB ALA 1 2HB ALA 1 12.694 11.557 -9.672 6 2HB ALA 1 1HB ALA 1 12.440 13.233 -10.160 7 3HB ALA 1 3HB ALA 1 11.795 11.920 -11.144 8 H THR 2 H THR 2 13.520 11.824 -13.816 9 HA THR 2 HA THR 2 14.323 14.485 -14.721 10 HB THR 2 HB THR 2 13.523 13.621 -16.968 11 HG1 THR 2 HG1 THR 2 12.076 12.099 -16.618 12 1HG2 THR 2 1HG2 THR 2 15.447 11.873 -15.411 13 2HG2 THR 2 3HG2 THR 2 15.337 11.957 -17.169 14 3HG2 THR 2 2HG2 THR 2 15.857 13.369 -16.250 15 H SER 3 H SER 3 12.737 15.664 -16.286 16 HA SER 3 HA SER 3 10.149 15.960 -14.859 17 1HB SER 3 2HB SER 3 11.706 17.773 -16.708 18 2HB SER 3 1HB SER 3 10.037 18.108 -16.259 19 HG SER 3 HG SER 3 12.368 18.217 -14.754 20 H THR 4 H THR 4 10.593 13.739 -16.703 21 HA THR 4 HA THR 4 8.269 14.171 -18.447 22 HB THR 4 HB THR 4 10.209 15.004 -19.790 23 HG1 THR 4 HG1 THR 4 9.322 14.154 -21.495 24 1HG2 THR 4 2HG2 THR 4 11.854 13.390 -18.727 25 2HG2 THR 4 1HG2 THR 4 11.163 12.131 -19.750 26 3HG2 THR 4 3HG2 THR 4 11.964 13.522 -20.481 27 H LYS 5 H LYS 5 9.052 12.406 -16.161 28 HA LYS 5 HA LYS 5 9.146 9.732 -17.442 29 1HB LYS 5 2HB LYS 5 10.382 10.688 -15.201 30 2HB LYS 5 1HB LYS 5 8.972 9.897 -14.499 31 1HG LYS 5 2HG LYS 5 10.117 7.959 -14.695 32 2HG LYS 5 1HG LYS 5 9.852 8.092 -16.434 33 1HD LYS 5 2HD LYS 5 12.214 7.834 -16.141 34 2HD LYS 5 1HD LYS 5 11.951 9.536 -16.518 35 1HE LYS 5 2HE LYS 5 12.034 10.091 -14.118 36 2HE LYS 5 1HE LYS 5 12.278 8.389 -13.728 37 1HZ LYS 5 3HZ LYS 5 14.324 8.429 -15.020 38 2HZ LYS 5 2HZ LYS 5 14.089 10.073 -15.373 39 3HZ LYS 5 1HZ LYS 5 14.373 9.577 -13.775 40 H LYS 6 H LYS 6 7.732 8.285 -15.463 41 HA LYS 6 HA LYS 6 5.126 9.202 -14.830 42 1HB LYS 6 2HB LYS 6 3.753 8.274 -16.613 43 2HB LYS 6 1HB LYS 6 4.902 9.402 -17.324 44 1HG LYS 6 2HG LYS 6 5.328 6.399 -17.196 45 2HG LYS 6 1HG LYS 6 4.690 7.249 -18.602 46 1HD LYS 6 2HD LYS 6 6.866 8.738 -18.267 47 2HD LYS 6 1HD LYS 6 7.458 7.288 -17.456 48 1HE LYS 6 2HE LYS 6 8.056 6.680 -19.579 49 2HE LYS 6 1HE LYS 6 6.371 6.172 -19.682 50 1HZ LYS 6 3HZ LYS 6 5.817 8.355 -20.580 51 2HZ LYS 6 2HZ LYS 6 7.453 8.812 -20.514 52 3HZ LYS 6 1HZ LYS 6 6.958 7.562 -21.553 53 H LEU 7 H LEU 7 7.226 6.526 -15.728 54 HA LEU 7 HA LEU 7 6.065 4.895 -13.568 55 1HB LEU 7 2HB LEU 7 6.017 4.165 -16.498 56 2HB LEU 7 1HB LEU 7 6.097 2.908 -15.276 57 HG LEU 7 HG LEU 7 3.939 5.028 -15.524 58 1HD1 LEU 7 2HD1 LEU 7 3.835 3.152 -17.168 59 2HD1 LEU 7 1HD1 LEU 7 3.799 2.013 -15.822 60 3HD1 LEU 7 3HD1 LEU 7 2.472 3.153 -16.050 61 1HD2 LEU 7 1HD2 LEU 7 4.473 4.406 -13.144 62 2HD2 LEU 7 3HD2 LEU 7 2.847 3.938 -13.639 63 3HD2 LEU 7 2HD2 LEU 7 4.123 2.726 -13.551 64 H HIS 8 H HIS 8 8.086 5.154 -12.522 65 HA HIS 8 HA HIS 8 10.548 4.291 -13.929 66 1HB HIS 8 2HB HIS 8 10.118 6.387 -12.275 67 2HB HIS 8 1HB HIS 8 10.648 5.190 -11.095 68 HD1 HIS 8 HD1 HIS 8 11.849 5.853 -14.665 69 HD2 HIS 8 HD2 HIS 8 13.350 5.655 -10.779 70 HE1 HIS 8 HE1 HIS 8 14.357 6.157 -14.848 71 H LYS 9 H LYS 9 11.817 3.505 -11.302 72 HA LYS 9 HA LYS 9 10.409 1.274 -10.172 73 1HB LYS 9 2HB LYS 9 11.973 -0.488 -11.238 74 2HB LYS 9 1HB LYS 9 10.634 0.105 -12.219 75 1HG LYS 9 2HG LYS 9 12.139 1.699 -13.335 76 2HG LYS 9 1HG LYS 9 13.482 1.151 -12.333 77 1HD LYS 9 2HD LYS 9 13.905 -0.363 -13.956 78 2HD LYS 9 1HD LYS 9 12.460 -1.207 -13.403 79 1HE LYS 9 2HE LYS 9 11.917 -0.904 -15.635 80 2HE LYS 9 1HE LYS 9 11.235 0.570 -14.949 81 1HZ LYS 9 1HZ LYS 9 13.936 0.320 -16.160 82 2HZ LYS 9 3HZ LYS 9 12.588 1.035 -16.899 83 3HZ LYS 9 2HZ LYS 9 13.267 1.740 -15.511 84 H GLU 10 H GLU 10 11.473 0.584 -8.333 85 HA GLU 10 HA GLU 10 14.364 0.791 -8.021 86 1HB GLU 10 2HB GLU 10 12.558 2.896 -6.982 87 2HB GLU 10 1HB GLU 10 13.689 2.245 -5.798 88 1HG GLU 10 2HG GLU 10 14.431 3.375 -8.516 89 2HG GLU 10 1HG GLU 10 14.667 4.181 -6.969 90 HA PRO 11 HA PRO 11 13.122 -2.770 -5.706 91 1HB PRO 11 2HB PRO 11 15.642 -2.584 -4.254 92 2HB PRO 11 1HB PRO 11 15.094 -3.818 -5.399 93 1HG PRO 11 2HG PRO 11 17.031 -1.816 -5.896 94 2HG PRO 11 1HG PRO 11 16.292 -2.888 -7.090 95 1HD PRO 11 2HD PRO 11 15.874 -0.035 -6.737 96 2HD PRO 11 1HD PRO 11 15.228 -1.094 -8.006 97 H ALA 12 H ALA 12 12.127 -3.069 -3.799 98 HA ALA 12 HA ALA 12 12.461 -1.029 -1.641 99 1HB ALA 12 3HB ALA 12 10.301 -0.962 -3.068 100 2HB ALA 12 2HB ALA 12 9.865 -2.446 -2.222 101 3HB ALA 12 1HB ALA 12 10.125 -0.956 -1.314 102 H THR 13 H THR 13 10.806 -2.308 0.265 103 HA THR 13 HA THR 13 11.952 -5.041 0.539 104 HB THR 13 HB THR 13 13.405 -3.622 1.883 105 HG1 THR 13 HG1 THR 13 13.147 -5.390 3.032 106 1HG2 THR 13 2HG2 THR 13 11.376 -1.898 2.105 107 2HG2 THR 13 1HG2 THR 13 11.169 -2.734 3.644 108 3HG2 THR 13 3HG2 THR 13 12.696 -1.933 3.273 109 H LEU 14 H LEU 14 10.120 -6.191 0.372 110 HA LEU 14 HA LEU 14 7.498 -5.693 0.688 111 1HB LEU 14 2HB LEU 14 8.568 -7.927 0.220 112 2HB LEU 14 1HB LEU 14 8.752 -8.135 1.959 113 HG LEU 14 HG LEU 14 6.073 -7.455 0.779 114 1HD1 LEU 14 3HD1 LEU 14 7.592 -9.969 0.522 115 2HD1 LEU 14 2HD1 LEU 14 5.977 -10.170 1.204 116 3HD1 LEU 14 1HD1 LEU 14 6.179 -9.411 -0.375 117 1HD2 LEU 14 1HD2 LEU 14 7.191 -8.444 3.359 118 2HD2 LEU 14 3HD2 LEU 14 5.824 -7.368 3.067 119 3HD2 LEU 14 2HD2 LEU 14 5.633 -9.111 2.871 120 H ILE 15 H ILE 15 6.396 -4.546 2.217 121 HA ILE 15 HA ILE 15 7.181 -4.928 5.072 122 HB ILE 15 HB ILE 15 5.561 -2.738 3.730 123 1HG1 ILE 15 2HG1 ILE 15 8.243 -2.756 5.153 124 2HG1 ILE 15 1HG1 ILE 15 7.983 -2.525 3.425 125 1HG2 ILE 15 3HG2 ILE 15 6.209 -3.171 6.663 126 2HG2 ILE 15 2HG2 ILE 15 5.488 -1.707 5.998 127 3HG2 ILE 15 1HG2 ILE 15 4.606 -3.230 5.932 128 1HD1 ILE 15 1HD1 ILE 15 6.596 -0.497 3.974 129 2HD1 ILE 15 3HD1 ILE 15 7.074 -0.690 5.660 130 3HD1 ILE 15 2HD1 ILE 15 8.291 -0.343 4.433 131 H LYS 16 H LYS 16 4.095 -4.195 3.393 132 HA LYS 16 HA LYS 16 2.802 -6.657 4.037 133 1HB LYS 16 2HB LYS 16 3.067 -4.924 6.270 134 2HB LYS 16 1HB LYS 16 1.380 -4.837 5.763 135 1HG LYS 16 2HG LYS 16 1.743 -7.501 5.575 136 2HG LYS 16 1HG LYS 16 2.915 -7.146 6.844 137 1HD LYS 16 2HD LYS 16 0.385 -5.741 7.255 138 2HD LYS 16 1HD LYS 16 0.177 -7.492 7.206 139 1HE LYS 16 2HE LYS 16 2.412 -6.306 8.832 140 2HE LYS 16 1HE LYS 16 0.774 -6.331 9.485 141 1HZ LYS 16 2HZ LYS 16 0.714 -8.736 9.029 142 2HZ LYS 16 1HZ LYS 16 2.340 -8.671 8.540 143 3HZ LYS 16 3HZ LYS 16 1.924 -8.312 10.144 144 H ALA 17 H ALA 17 0.999 -6.765 2.760 145 HA ALA 17 HA ALA 17 0.200 -4.385 1.243 146 1HB ALA 17 2HB ALA 17 -0.534 -7.301 1.196 147 2HB ALA 17 1HB ALA 17 -1.574 -6.133 0.382 148 3HB ALA 17 3HB ALA 17 0.114 -6.295 -0.101 149 H ILE 18 H ILE 18 -1.174 -2.955 2.059 150 HA ILE 18 HA ILE 18 -2.759 -3.293 4.395 151 HB ILE 18 HB ILE 18 -2.741 -1.342 2.102 152 1HG1 ILE 18 2HG1 ILE 18 -2.516 -0.020 4.544 153 2HG1 ILE 18 1HG1 ILE 18 -1.666 -1.540 4.818 154 1HG2 ILE 18 1HG2 ILE 18 -4.774 -1.528 4.339 155 2HG2 ILE 18 3HG2 ILE 18 -4.424 -0.005 3.519 156 3HG2 ILE 18 2HG2 ILE 18 -5.074 -1.369 2.608 157 1HD1 ILE 18 1HD1 ILE 18 -1.177 0.225 2.405 158 2HD1 ILE 18 3HD1 ILE 18 -0.223 0.320 3.885 159 3HD1 ILE 18 2HD1 ILE 18 -0.220 -1.160 2.929 160 H ASP 19 H ASP 19 -3.885 -3.100 0.992 161 HA ASP 19 HA ASP 19 -5.666 -5.348 1.230 162 1HB ASP 19 2HB ASP 19 -6.700 -3.132 2.463 163 2HB ASP 19 1HB ASP 19 -7.306 -2.912 0.823 164 H GLY 20 H GLY 20 -7.558 -4.486 -0.752 165 1HA GLY 20 2HA GLY 20 -5.810 -4.491 -3.124 166 2HA GLY 20 1HA GLY 20 -7.565 -4.683 -3.130 167 H ASP 21 H ASP 21 -5.592 -2.094 -1.677 168 HA ASP 21 HA ASP 21 -6.588 -0.133 -3.661 169 1HB ASP 21 2HB ASP 21 -6.864 0.535 -0.736 170 2HB ASP 21 1HB ASP 21 -7.689 1.254 -2.113 171 H THR 22 H THR 22 -4.839 -0.492 -0.564 172 HA THR 22 HA THR 22 -2.699 1.297 -1.652 173 HB THR 22 HB THR 22 -3.383 0.924 1.266 174 HG1 THR 22 HG1 THR 22 -5.111 2.003 0.763 175 1HG2 THR 22 3HG2 THR 22 -1.566 2.676 -0.320 176 2HG2 THR 22 2HG2 THR 22 -2.304 3.348 1.134 177 3HG2 THR 22 1HG2 THR 22 -1.299 1.903 1.243 178 H VAL 23 H VAL 23 -0.509 0.822 -0.612 179 HA VAL 23 HA VAL 23 -0.185 -1.942 0.414 180 HB VAL 23 HB VAL 23 1.918 -1.965 -1.242 181 1HG1 VAL 23 1HG1 VAL 23 0.106 -3.659 -1.063 182 2HG1 VAL 23 3HG1 VAL 23 -0.903 -2.661 -2.110 183 3HG1 VAL 23 2HG1 VAL 23 0.586 -3.370 -2.735 184 1HG2 VAL 23 3HG2 VAL 23 1.039 0.331 -2.130 185 2HG2 VAL 23 2HG2 VAL 23 1.567 -0.879 -3.298 186 3HG2 VAL 23 1HG2 VAL 23 -0.153 -0.644 -2.989 187 H LYS 24 H LYS 24 1.862 -2.245 1.575 188 HA LYS 24 HA LYS 24 3.096 0.366 2.343 189 1HB LYS 24 2HB LYS 24 1.894 -1.492 3.983 190 2HB LYS 24 1HB LYS 24 3.599 -1.928 4.112 191 1HG LYS 24 2HG LYS 24 4.170 0.397 4.663 192 2HG LYS 24 1HG LYS 24 2.476 0.860 4.500 193 1HD LYS 24 2HD LYS 24 1.926 0.026 6.540 194 2HD LYS 24 1HD LYS 24 2.912 -1.419 6.313 195 1HE LYS 24 2HE LYS 24 4.058 -0.331 8.033 196 2HE LYS 24 1HE LYS 24 4.926 0.240 6.608 197 1HZ LYS 24 1HZ LYS 24 2.688 1.685 7.923 198 2HZ LYS 24 3HZ LYS 24 4.331 2.041 8.141 199 3HZ LYS 24 2HZ LYS 24 3.615 2.241 6.613 200 H LEU 25 H LEU 25 5.225 0.641 1.899 201 HA LEU 25 HA LEU 25 6.996 -1.700 1.588 202 1HB LEU 25 2HB LEU 25 5.768 -0.431 -0.640 203 2HB LEU 25 1HB LEU 25 7.461 0.047 -0.656 204 HG LEU 25 HG LEU 25 7.329 -1.964 -1.932 205 1HD1 LEU 25 3HD1 LEU 25 9.043 -1.768 0.050 206 2HD1 LEU 25 2HD1 LEU 25 8.107 -3.100 0.727 207 3HD1 LEU 25 1HD1 LEU 25 8.895 -3.283 -0.840 208 1HD2 LEU 25 2HD2 LEU 25 5.045 -2.517 -0.730 209 2HD2 LEU 25 1HD2 LEU 25 6.024 -3.812 -1.417 210 3HD2 LEU 25 3HD2 LEU 25 6.075 -3.495 0.316 211 H MET 26 H MET 26 9.144 -1.198 2.032 212 HA MET 26 HA MET 26 9.710 1.626 2.820 213 1HB MET 26 2HB MET 26 10.324 -0.922 4.007 214 2HB MET 26 1HB MET 26 11.838 -0.129 3.571 215 1HG MET 26 2HG MET 26 11.092 1.914 4.754 216 2HG MET 26 1HG MET 26 9.609 1.087 5.224 217 1HE MET 26 3HE MET 26 13.172 1.174 4.961 218 2HE MET 26 2HE MET 26 13.580 1.413 6.657 219 3HE MET 26 1HE MET 26 13.820 -0.166 5.916 220 H TYR 27 H TYR 27 9.772 1.812 0.324 221 HA TYR 27 HA TYR 27 12.103 0.707 -1.030 222 1HB TYR 27 2HB TYR 27 11.238 1.650 -2.978 223 2HB TYR 27 1HB TYR 27 9.777 1.410 -2.020 224 HD1 TYR 27 HD2 TYR 27 8.871 3.355 -0.664 225 HD2 TYR 27 HD1 TYR 27 11.927 3.825 -3.638 226 HE1 TYR 27 HE2 TYR 27 8.422 5.788 -0.735 227 HE2 TYR 27 HE1 TYR 27 11.485 6.259 -3.711 228 HH TYR 27 HH TYR 27 9.124 7.780 -1.529 229 H LYS 28 H LYS 28 11.278 3.906 0.355 230 HA LYS 28 HA LYS 28 13.998 4.829 -0.381 231 1HB LYS 28 2HB LYS 28 13.213 7.095 -0.025 232 2HB LYS 28 1HB LYS 28 12.072 6.260 -1.071 233 1HG LYS 28 2HG LYS 28 10.396 6.383 0.459 234 2HG LYS 28 1HG LYS 28 11.471 5.997 1.802 235 1HD LYS 28 2HD LYS 28 10.732 8.255 2.150 236 2HD LYS 28 1HD LYS 28 12.402 8.353 1.591 237 1HE LYS 28 2HE LYS 28 11.353 8.547 -0.786 238 2HE LYS 28 1HE LYS 28 9.869 8.955 0.074 239 1HZ LYS 28 1HZ LYS 28 11.085 10.722 1.220 240 2HZ LYS 28 3HZ LYS 28 12.478 10.350 0.326 241 3HZ LYS 28 2HZ LYS 28 11.096 10.941 -0.465 242 H GLY 29 H GLY 29 13.536 2.972 1.802 243 1HA GLY 29 2HA GLY 29 14.621 2.695 3.868 244 2HA GLY 29 1HA GLY 29 15.040 4.406 3.841 245 H GLN 30 H GLN 30 11.732 4.170 3.255 246 HA GLN 30 HA GLN 30 11.029 4.067 6.131 247 1HB GLN 30 2HB GLN 30 9.787 6.202 6.004 248 2HB GLN 30 1HB GLN 30 11.510 6.434 5.725 249 1HG GLN 30 2HG GLN 30 11.099 7.321 3.703 250 2HG GLN 30 1HG GLN 30 10.218 5.874 3.214 251 1HE2 GLN 30 2HE2 GLN 30 7.012 7.299 3.799 252 2HE2 GLN 30 1HE2 GLN 30 7.870 5.868 3.486 253 HA PRO 31 HA PRO 31 7.564 1.867 4.577 254 1HB PRO 31 2HB PRO 31 5.971 2.480 6.873 255 2HB PRO 31 1HB PRO 31 6.903 1.008 6.572 256 1HG PRO 31 2HG PRO 31 7.483 3.120 8.459 257 2HG PRO 31 1HG PRO 31 8.385 1.623 8.188 258 1HD PRO 31 2HD PRO 31 9.133 4.301 7.420 259 2HD PRO 31 1HD PRO 31 10.038 2.797 7.157 260 H MET 32 H MET 32 6.044 2.598 3.152 261 HA MET 32 HA MET 32 4.559 5.093 3.797 262 1HB MET 32 2HB MET 32 4.751 5.084 1.012 263 2HB MET 32 1HB MET 32 5.554 6.192 2.114 264 1HG MET 32 2HG MET 32 7.502 5.394 1.312 265 2HG MET 32 1HG MET 32 7.153 3.886 2.151 266 1HE MET 32 2HE MET 32 5.266 2.555 1.412 267 2HE MET 32 1HE MET 32 4.374 2.884 -0.068 268 3HE MET 32 3HE MET 32 5.578 1.590 -0.022 269 H THR 33 H THR 33 2.813 5.243 1.763 270 HA THR 33 HA THR 33 1.454 2.590 1.757 271 HB THR 33 HB THR 33 -0.678 4.091 1.602 272 HG1 THR 33 HG1 THR 33 -0.387 6.083 2.661 273 1HG2 THR 33 3HG2 THR 33 0.942 3.854 4.150 274 2HG2 THR 33 2HG2 THR 33 -0.789 4.188 4.078 275 3HG2 THR 33 1HG2 THR 33 -0.165 2.642 3.503 276 H PHE 34 H PHE 34 2.572 2.243 -0.248 277 HA PHE 34 HA PHE 34 2.460 3.858 -2.569 278 1HB PHE 34 2HB PHE 34 2.895 0.975 -1.972 279 2HB PHE 34 1HB PHE 34 2.559 1.410 -3.644 280 HD1 PHE 34 HD2 PHE 34 3.855 3.975 -3.997 281 HD2 PHE 34 HD1 PHE 34 5.163 0.569 -1.754 282 HE1 PHE 34 HE2 PHE 34 6.212 4.684 -4.311 283 HE2 PHE 34 HE1 PHE 34 7.525 1.270 -2.064 284 HZ PHE 34 HZ PHE 34 8.048 3.331 -3.341 285 H ARG 35 H ARG 35 1.159 3.490 -4.561 286 HA ARG 35 HA ARG 35 -1.651 2.999 -3.867 287 1HB ARG 35 2HB ARG 35 -2.236 4.180 -5.770 288 2HB ARG 35 1HB ARG 35 -0.734 4.963 -5.315 289 1HG ARG 35 2HG ARG 35 0.375 3.233 -6.934 290 2HG ARG 35 1HG ARG 35 -1.256 3.047 -7.582 291 1HD ARG 35 2HD ARG 35 -0.708 5.838 -7.247 292 2HD ARG 35 1HD ARG 35 0.622 5.115 -8.140 293 HE ARG 35 HE ARG 35 -1.827 5.785 -9.283 294 1HH1 ARG 35 1HH2 ARG 35 0.579 4.053 -10.398 295 2HH1 ARG 35 2HH2 ARG 35 -0.328 2.758 -11.106 296 1HH2 ARG 35 2HH1 ARG 35 -3.292 3.606 -9.509 297 2HH2 ARG 35 1HH1 ARG 35 -2.529 2.517 -10.610 298 H LEU 36 H LEU 36 -2.342 0.951 -3.954 299 HA LEU 36 HA LEU 36 -1.056 -1.136 -5.529 300 1HB LEU 36 2HB LEU 36 -2.466 -1.491 -3.414 301 2HB LEU 36 1HB LEU 36 -3.884 -1.184 -4.415 302 HG LEU 36 HG LEU 36 -1.977 -3.153 -5.529 303 1HD1 LEU 36 3HD1 LEU 36 -3.311 -3.504 -2.869 304 2HD1 LEU 36 2HD1 LEU 36 -3.211 -4.890 -3.953 305 3HD1 LEU 36 1HD1 LEU 36 -1.739 -4.084 -3.414 306 1HD2 LEU 36 1HD2 LEU 36 -4.247 -2.540 -6.460 307 2HD2 LEU 36 3HD2 LEU 36 -4.033 -4.264 -6.162 308 3HD2 LEU 36 2HD2 LEU 36 -4.966 -3.284 -5.032 309 H LEU 37 H LEU 37 -3.708 1.069 -5.850 310 HA LEU 37 HA LEU 37 -3.750 0.908 -8.754 311 1HB LEU 37 2HB LEU 37 -5.320 -0.975 -7.705 312 2HB LEU 37 1HB LEU 37 -6.408 0.388 -7.446 313 HG LEU 37 HG LEU 37 -5.432 0.687 -10.075 314 1HD1 LEU 37 3HD1 LEU 37 -4.717 -1.706 -9.907 315 2HD1 LEU 37 2HD1 LEU 37 -6.390 -2.146 -9.568 316 3HD1 LEU 37 1HD1 LEU 37 -5.961 -1.447 -11.128 317 1HD2 LEU 37 1HD2 LEU 37 -7.711 1.191 -9.065 318 2HD2 LEU 37 3HD2 LEU 37 -7.752 0.449 -10.664 319 3HD2 LEU 37 2HD2 LEU 37 -8.077 -0.526 -9.232 320 H LEU 38 H LEU 38 -3.244 2.751 -6.495 321 HA LEU 38 HA LEU 38 -3.742 4.849 -5.683 322 1HB LEU 38 2HB LEU 38 -3.811 6.439 -7.309 323 2HB LEU 38 1HB LEU 38 -3.346 5.053 -8.280 324 HG LEU 38 HG LEU 38 -6.184 5.030 -8.190 325 1HD1 LEU 38 1HD1 LEU 38 -5.824 7.471 -7.473 326 2HD1 LEU 38 3HD1 LEU 38 -5.177 7.735 -9.093 327 3HD1 LEU 38 2HD1 LEU 38 -6.849 7.209 -8.884 328 1HD2 LEU 38 3HD2 LEU 38 -4.065 5.620 -10.244 329 2HD2 LEU 38 2HD2 LEU 38 -5.141 4.230 -10.131 330 3HD2 LEU 38 1HD2 LEU 38 -5.768 5.788 -10.666 331 H VAL 39 H VAL 39 -5.758 2.741 -5.353 332 HA VAL 39 HA VAL 39 -8.408 3.848 -5.596 333 HB VAL 39 HB VAL 39 -7.328 1.732 -3.701 334 1HG1 VAL 39 2HG1 VAL 39 -10.055 2.815 -4.267 335 2HG1 VAL 39 1HG1 VAL 39 -9.910 1.072 -4.050 336 3HG1 VAL 39 3HG1 VAL 39 -9.395 2.165 -2.767 337 1HG2 VAL 39 2HG2 VAL 39 -7.540 1.682 -6.489 338 2HG2 VAL 39 1HG2 VAL 39 -7.402 0.279 -5.432 339 3HG2 VAL 39 3HG2 VAL 39 -8.992 0.851 -5.934 340 H ASP 40 H ASP 40 -8.528 5.912 -4.708 341 HA ASP 40 HA ASP 40 -8.514 6.063 -1.756 342 1HB ASP 40 2HB ASP 40 -6.196 6.718 -2.765 343 2HB ASP 40 1HB ASP 40 -7.017 8.186 -3.294 344 H THR 41 H THR 41 -10.751 6.080 -3.384 345 HA THR 41 HA THR 41 -11.656 8.908 -3.161 346 HB THR 41 HB THR 41 -11.752 7.057 -5.510 347 HG1 THR 41 HG1 THR 41 -10.423 8.753 -5.734 348 1HG2 THR 41 3HG2 THR 41 -13.968 8.917 -4.671 349 2HG2 THR 41 2HG2 THR 41 -13.668 8.563 -6.373 350 3HG2 THR 41 1HG2 THR 41 -14.084 7.258 -5.260 351 HA PRO 42 HA PRO 42 -14.625 6.701 -0.621 352 1HB PRO 42 2HB PRO 42 -16.005 9.167 -0.164 353 2HB PRO 42 1HB PRO 42 -14.881 8.342 0.925 354 1HG PRO 42 2HG PRO 42 -14.437 10.778 -0.568 355 2HG PRO 42 1HG PRO 42 -13.335 9.972 0.556 356 1HD PRO 42 2HD PRO 42 -13.158 10.083 -2.323 357 2HD PRO 42 1HD PRO 42 -12.046 9.287 -1.189 358 H GLU 43 H GLU 43 -17.002 6.379 -0.729 359 HA GLU 43 HA GLU 43 -18.308 7.446 -3.179 360 1HB GLU 43 2HB GLU 43 -17.986 5.408 -4.138 361 2HB GLU 43 1HB GLU 43 -17.562 4.655 -2.604 362 1HG GLU 43 2HG GLU 43 -19.786 4.156 -2.082 363 2HG GLU 43 1HG GLU 43 -20.422 5.403 -3.154 364 H THR 44 H THR 44 -20.275 8.254 -2.670 365 HA THR 44 HA THR 44 -21.384 7.849 0.013 366 HB THR 44 HB THR 44 -21.448 10.064 -1.197 367 HG1 THR 44 HG1 THR 44 -22.894 10.097 0.349 368 1HG2 THR 44 2HG2 THR 44 -22.079 8.950 -3.421 369 2HG2 THR 44 1HG2 THR 44 -23.721 8.862 -2.783 370 3HG2 THR 44 3HG2 THR 44 -22.945 10.430 -3.006 371 H LYS 45 H LYS 45 -23.314 6.758 0.510 372 HA LYS 45 HA LYS 45 -24.854 5.454 -1.647 373 1HB LYS 45 2HB LYS 45 -22.918 4.043 0.087 374 2HB LYS 45 1HB LYS 45 -24.511 3.292 -0.005 375 1HG LYS 45 2HG LYS 45 -24.274 3.644 -2.577 376 2HG LYS 45 1HG LYS 45 -22.555 3.837 -2.230 377 1HD LYS 45 2HD LYS 45 -22.730 1.629 -0.931 378 2HD LYS 45 1HD LYS 45 -24.296 1.423 -1.716 379 1HE LYS 45 2HE LYS 45 -23.148 1.726 -3.933 380 2HE LYS 45 1HE LYS 45 -21.606 1.721 -3.078 381 1HZ LYS 45 1HZ LYS 45 -22.170 -0.474 -2.195 382 2HZ LYS 45 3HZ LYS 45 -23.613 -0.469 -3.087 383 3HZ LYS 45 2HZ LYS 45 -22.117 -0.474 -3.893 384 H HIS 46 H HIS 46 -26.847 4.446 -0.802 385 HA HIS 46 HA HIS 46 -27.967 5.996 1.413 386 1HB HIS 46 2HB HIS 46 -30.078 4.946 0.828 387 2HB HIS 46 1HB HIS 46 -29.265 5.419 -0.660 388 HD1 HIS 46 HD1 HIS 46 -28.308 3.518 -2.163 389 HD2 HIS 46 HD2 HIS 46 -30.297 2.137 1.231 390 HE1 HIS 46 HE1 HIS 46 -28.668 1.034 -2.503 391 HA PRO 47 HA PRO 47 -27.517 3.245 4.783 392 1HB PRO 47 2HB PRO 47 -30.301 3.113 5.516 393 2HB PRO 47 1HB PRO 47 -29.024 4.092 6.251 394 1HG PRO 47 2HG PRO 47 -31.185 4.999 4.579 395 2HG PRO 47 1HG PRO 47 -29.895 5.969 5.300 396 1HD PRO 47 2HD PRO 47 -30.225 5.247 2.530 397 2HD PRO 47 1HD PRO 47 -28.932 6.222 3.255 398 H LYS 48 H LYS 48 -27.039 1.156 4.189 399 HA LYS 48 HA LYS 48 -29.181 -0.815 3.997 400 1HB LYS 48 2HB LYS 48 -28.560 -1.647 1.745 401 2HB LYS 48 1HB LYS 48 -29.189 -0.001 1.678 402 1HG LYS 48 2HG LYS 48 -27.049 0.932 1.333 403 2HG LYS 48 1HG LYS 48 -26.225 -0.516 1.910 404 1HD LYS 48 2HD LYS 48 -27.950 -1.135 -0.343 405 2HD LYS 48 1HD LYS 48 -26.797 0.134 -0.760 406 1HE LYS 48 2HE LYS 48 -24.993 -1.347 0.278 407 2HE LYS 48 1HE LYS 48 -26.200 -2.634 0.308 408 1HZ LYS 48 1HZ LYS 48 -25.417 -1.129 -2.129 409 2HZ LYS 48 3HZ LYS 48 -24.794 -2.648 -1.702 410 3HZ LYS 48 2HZ LYS 48 -26.448 -2.478 -2.051 411 H LYS 49 H LYS 49 -28.291 -3.041 3.916 412 HA LYS 49 HA LYS 49 -25.887 -3.285 5.509 413 1HB LYS 49 2HB LYS 49 -26.216 -5.721 5.260 414 2HB LYS 49 1HB LYS 49 -27.723 -4.920 5.697 415 1HG LYS 49 2HG LYS 49 -28.632 -5.992 3.924 416 2HG LYS 49 1HG LYS 49 -27.755 -4.835 2.923 417 1HD LYS 49 2HD LYS 49 -26.890 -6.761 2.019 418 2HD LYS 49 1HD LYS 49 -25.765 -6.593 3.367 419 1HE LYS 49 2HE LYS 49 -27.308 -8.030 4.742 420 2HE LYS 49 1HE LYS 49 -28.264 -8.306 3.287 421 1HZ LYS 49 1HZ LYS 49 -26.266 -9.192 2.215 422 2HZ LYS 49 3HZ LYS 49 -25.395 -8.985 3.656 423 3HZ LYS 49 2HZ LYS 49 -26.689 -10.085 3.597 424 H GLY 50 H GLY 50 -23.805 -3.742 4.868 425 1HA GLY 50 2HA GLY 50 -23.266 -3.675 1.945 426 2HA GLY 50 1HA GLY 50 -22.082 -3.359 3.213 427 H VAL 51 H VAL 51 -20.537 -4.909 2.868 428 HA VAL 51 HA VAL 51 -21.221 -7.692 3.430 429 HB VAL 51 HB VAL 51 -21.740 -7.527 1.004 430 1HG1 VAL 51 1HG1 VAL 51 -19.975 -5.688 0.647 431 2HG1 VAL 51 3HG1 VAL 51 -18.798 -6.999 0.565 432 3HG1 VAL 51 2HG1 VAL 51 -20.110 -6.917 -0.610 433 1HG2 VAL 51 1HG2 VAL 51 -20.750 -9.607 2.063 434 2HG2 VAL 51 3HG2 VAL 51 -20.473 -9.461 0.327 435 3HG2 VAL 51 2HG2 VAL 51 -19.178 -9.080 1.462 436 H GLU 52 H GLU 52 -19.462 -8.740 4.312 437 HA GLU 52 HA GLU 52 -17.135 -7.216 5.041 438 1HB GLU 52 2HB GLU 52 -18.140 -9.250 6.255 439 2HB GLU 52 1HB GLU 52 -17.301 -10.236 5.058 440 1HG GLU 52 2HG GLU 52 -15.166 -9.476 5.764 441 2HG GLU 52 1HG GLU 52 -15.854 -8.122 6.659 442 H LYS 53 H LYS 53 -15.393 -6.772 3.789 443 HA LYS 53 HA LYS 53 -14.719 -8.665 1.568 444 1HB LYS 53 2HB LYS 53 -15.068 -5.702 1.572 445 2HB LYS 53 1HB LYS 53 -13.768 -6.360 0.579 446 1HG LYS 53 2HG LYS 53 -16.142 -7.964 0.238 447 2HG LYS 53 1HG LYS 53 -16.530 -6.267 -0.046 448 1HD LYS 53 2HD LYS 53 -15.793 -6.969 -2.157 449 2HD LYS 53 1HD LYS 53 -14.336 -6.256 -1.466 450 1HE LYS 53 2HE LYS 53 -14.053 -8.774 -0.547 451 2HE LYS 53 1HE LYS 53 -14.973 -9.112 -2.013 452 1HZ LYS 53 1HZ LYS 53 -13.335 -7.773 -3.248 453 2HZ LYS 53 3HZ LYS 53 -12.422 -7.603 -1.828 454 3HZ LYS 53 2HZ LYS 53 -12.648 -9.141 -2.514 455 H TYR 54 H TYR 54 -12.537 -9.108 1.274 456 HA TYR 54 HA TYR 54 -10.584 -7.720 3.058 457 1HB TYR 54 2HB TYR 54 -11.045 -10.692 2.756 458 2HB TYR 54 1HB TYR 54 -9.497 -10.051 3.305 459 HD1 TYR 54 HD2 TYR 54 -9.596 -8.312 5.271 460 HD2 TYR 54 HD1 TYR 54 -12.753 -11.061 4.310 461 HE1 TYR 54 HE2 TYR 54 -10.513 -8.060 7.561 462 HE2 TYR 54 HE1 TYR 54 -13.668 -10.810 6.599 463 HH TYR 54 HH TYR 54 -13.283 -8.547 8.495 464 H GLY 55 H GLY 55 -10.743 -10.213 0.472 465 1HA GLY 55 2HA GLY 55 -8.605 -8.692 -0.967 466 2HA GLY 55 1HA GLY 55 -8.554 -10.450 -0.846 467 HA PRO 56 HA PRO 56 -11.609 -8.687 -4.224 468 1HB PRO 56 2HB PRO 56 -9.594 -8.039 -6.156 469 2HB PRO 56 1HB PRO 56 -10.717 -6.933 -5.356 470 1HG PRO 56 2HG PRO 56 -7.876 -7.187 -4.919 471 2HG PRO 56 1HG PRO 56 -9.000 -6.066 -4.141 472 1HD PRO 56 2HD PRO 56 -7.752 -8.408 -3.003 473 2HD PRO 56 1HD PRO 56 -8.846 -7.255 -2.213 474 H GLU 57 H GLU 57 -10.870 -9.330 -6.907 475 HA GLU 57 HA GLU 57 -10.255 -12.245 -6.642 476 1HB GLU 57 2HB GLU 57 -11.403 -12.165 -9.068 477 2HB GLU 57 1HB GLU 57 -12.348 -12.343 -7.593 478 1HG GLU 57 2HG GLU 57 -13.178 -10.193 -7.702 479 2HG GLU 57 1HG GLU 57 -11.740 -9.560 -8.498 480 H ALA 58 H ALA 58 -10.082 -9.773 -9.252 481 HA ALA 58 HA ALA 58 -7.675 -11.038 -10.344 482 1HB ALA 58 2HB ALA 58 -9.042 -8.425 -11.074 483 2HB ALA 58 1HB ALA 58 -7.761 -9.204 -12.002 484 3HB ALA 58 3HB ALA 58 -9.334 -9.984 -11.844 485 H SER 59 H SER 59 -8.494 -8.047 -8.591 486 HA SER 59 HA SER 59 -5.806 -6.989 -8.568 487 1HB SER 59 2HB SER 59 -7.902 -5.646 -8.162 488 2HB SER 59 1HB SER 59 -8.037 -6.429 -6.591 489 HG SER 59 HG SER 59 -6.544 -5.141 -5.875 490 H ALA 60 H ALA 60 -7.512 -9.344 -6.597 491 HA ALA 60 HA ALA 60 -5.933 -9.277 -4.234 492 1HB ALA 60 2HB ALA 60 -7.536 -11.397 -5.629 493 2HB ALA 60 1HB ALA 60 -6.491 -11.862 -4.286 494 3HB ALA 60 3HB ALA 60 -7.778 -10.682 -4.034 495 H PHE 61 H PHE 61 -5.404 -10.964 -7.330 496 HA PHE 61 HA PHE 61 -3.018 -12.357 -6.555 497 1HB PHE 61 2HB PHE 61 -3.994 -11.403 -9.262 498 2HB PHE 61 1HB PHE 61 -2.571 -12.419 -9.040 499 HD1 PHE 61 HD2 PHE 61 -2.987 -14.553 -7.468 500 HD2 PHE 61 HD1 PHE 61 -6.030 -12.456 -9.661 501 HE1 PHE 61 HE2 PHE 61 -4.440 -16.561 -7.374 502 HE2 PHE 61 HE1 PHE 61 -7.481 -14.465 -9.566 503 HZ PHE 61 HZ PHE 61 -6.687 -16.516 -8.424 504 H THR 62 H THR 62 -3.587 -9.172 -8.035 505 HA THR 62 HA THR 62 -0.844 -8.418 -8.381 506 HB THR 62 HB THR 62 -3.466 -6.980 -8.211 507 HG1 THR 62 HG1 THR 62 -1.336 -7.266 -10.026 508 1HG2 THR 62 1HG2 THR 62 -0.759 -5.644 -7.978 509 2HG2 THR 62 3HG2 THR 62 -2.231 -4.799 -8.458 510 3HG2 THR 62 2HG2 THR 62 -2.111 -5.516 -6.853 511 H LYS 63 H LYS 63 -3.068 -8.234 -5.625 512 HA LYS 63 HA LYS 63 -1.432 -6.620 -3.908 513 1HB LYS 63 2HB LYS 63 -3.864 -7.071 -3.558 514 2HB LYS 63 1HB LYS 63 -3.461 -8.731 -3.123 515 1HG LYS 63 2HG LYS 63 -2.354 -8.082 -1.153 516 2HG LYS 63 1HG LYS 63 -2.146 -6.420 -1.709 517 1HD LYS 63 2HD LYS 63 -3.899 -6.311 -0.109 518 2HD LYS 63 1HD LYS 63 -4.708 -6.258 -1.675 519 1HE LYS 63 2HE LYS 63 -4.939 -8.796 -1.488 520 2HE LYS 63 1HE LYS 63 -4.443 -8.621 0.195 521 1HZ LYS 63 3HZ LYS 63 -6.286 -7.084 0.529 522 2HZ LYS 63 2HZ LYS 63 -6.771 -7.293 -1.086 523 3HZ LYS 63 1HZ LYS 63 -6.838 -8.597 0.001 524 H LYS 64 H LYS 64 -1.109 -9.928 -4.896 525 HA LYS 64 HA LYS 64 0.232 -10.940 -2.560 526 1HB LYS 64 2HB LYS 64 -0.056 -11.813 -5.402 527 2HB LYS 64 1HB LYS 64 1.239 -12.530 -4.447 528 1HG LYS 64 2HG LYS 64 -0.256 -13.894 -3.473 529 2HG LYS 64 1HG LYS 64 -1.084 -12.486 -2.807 530 1HD LYS 64 2HD LYS 64 -2.577 -12.353 -4.616 531 2HD LYS 64 1HD LYS 64 -1.550 -13.336 -5.657 532 1HE LYS 64 2HE LYS 64 -2.975 -15.016 -5.081 533 2HE LYS 64 1HE LYS 64 -2.016 -15.074 -3.602 534 1HZ LYS 64 3HZ LYS 64 -4.468 -13.440 -3.982 535 2HZ LYS 64 2HZ LYS 64 -4.400 -14.923 -3.157 536 3HZ LYS 64 1HZ LYS 64 -3.565 -13.574 -2.551 537 H MET 65 H MET 65 1.184 -8.697 -4.947 538 HA MET 65 HA MET 65 3.972 -9.181 -5.179 539 1HB MET 65 2HB MET 65 4.088 -6.989 -6.064 540 2HB MET 65 1HB MET 65 2.456 -7.529 -6.440 541 1HG MET 65 2HG MET 65 1.967 -6.429 -4.047 542 2HG MET 65 1HG MET 65 3.354 -5.450 -4.518 543 1HE MET 65 2HE MET 65 0.393 -5.214 -3.865 544 2HE MET 65 1HE MET 65 0.166 -3.645 -4.633 545 3HE MET 65 3HE MET 65 -0.761 -5.045 -5.186 546 H LEU 66 H LEU 66 2.167 -8.299 -2.419 547 HA LEU 66 HA LEU 66 4.631 -7.317 -1.040 548 1HB LEU 66 2HB LEU 66 1.841 -6.375 -1.052 549 2HB LEU 66 1HB LEU 66 2.517 -6.565 0.564 550 HG LEU 66 HG LEU 66 4.515 -5.233 -0.202 551 1HD1 LEU 66 1HD1 LEU 66 2.752 -4.977 -2.645 552 2HD1 LEU 66 3HD1 LEU 66 3.998 -3.787 -2.266 553 3HD1 LEU 66 2HD1 LEU 66 4.446 -5.466 -2.570 554 1HD2 LEU 66 1HD2 LEU 66 1.727 -4.068 -0.217 555 2HD2 LEU 66 3HD2 LEU 66 2.904 -4.065 1.096 556 3HD2 LEU 66 2HD2 LEU 66 3.160 -3.045 -0.318 557 H GLU 67 H GLU 67 2.342 -9.881 -1.223 558 HA GLU 67 HA GLU 67 2.489 -10.586 1.620 559 1HB GLU 67 2HB GLU 67 0.954 -12.305 1.131 560 2HB GLU 67 1HB GLU 67 0.498 -11.008 0.031 561 1HG GLU 67 2HG GLU 67 0.854 -12.345 -1.742 562 2HG GLU 67 1HG GLU 67 2.511 -12.634 -1.226 563 H ASN 68 H ASN 68 4.553 -11.065 -1.056 564 HA ASN 68 HA ASN 68 6.158 -12.986 0.482 565 1HB ASN 68 2HB ASN 68 6.022 -14.813 -1.045 566 2HB ASN 68 1HB ASN 68 4.363 -14.318 -0.719 567 1HD2 ASN 68 2HD2 ASN 68 4.122 -12.706 -4.057 568 2HD2 ASN 68 1HD2 ASN 68 3.790 -12.265 -2.451 569 H ALA 69 H ALA 69 5.856 -10.902 -2.354 570 HA ALA 69 HA ALA 69 8.421 -11.528 -3.502 571 1HB ALA 69 3HB ALA 69 6.233 -9.728 -4.040 572 2HB ALA 69 2HB ALA 69 7.766 -8.867 -4.176 573 3HB ALA 69 1HB ALA 69 7.479 -10.318 -5.138 574 H LYS 70 H LYS 70 10.384 -11.026 -2.710 575 HA LYS 70 HA LYS 70 10.644 -9.096 -0.496 576 1HB LYS 70 2HB LYS 70 12.237 -11.297 -1.607 577 2HB LYS 70 1HB LYS 70 13.212 -9.891 -1.176 578 1HG LYS 70 2HG LYS 70 13.019 -10.388 1.009 579 2HG LYS 70 1HG LYS 70 11.261 -10.338 0.888 580 1HD LYS 70 2HD LYS 70 11.106 -12.639 0.400 581 2HD LYS 70 1HD LYS 70 12.806 -12.748 -0.058 582 1HE LYS 70 2HE LYS 70 13.463 -12.327 2.287 583 2HE LYS 70 1HE LYS 70 11.763 -12.228 2.744 584 1HZ LYS 70 2HZ LYS 70 13.049 -14.601 1.501 585 2HZ LYS 70 1HZ LYS 70 12.735 -14.427 3.161 586 3HZ LYS 70 3HZ LYS 70 11.448 -14.497 2.059 587 H LYS 71 H LYS 71 12.087 -9.484 -3.770 588 HA LYS 71 HA LYS 71 13.167 -6.755 -3.708 589 1HB LYS 71 2HB LYS 71 13.820 -9.009 -5.143 590 2HB LYS 71 1HB LYS 71 12.893 -8.095 -6.333 591 1HG LYS 71 2HG LYS 71 15.034 -7.236 -6.668 592 2HG LYS 71 1HG LYS 71 14.375 -6.078 -5.512 593 1HD LYS 71 2HD LYS 71 15.595 -6.966 -3.723 594 2HD LYS 71 1HD LYS 71 15.817 -8.523 -4.520 595 1HE LYS 71 2HE LYS 71 17.185 -7.203 -6.279 596 2HE LYS 71 1HE LYS 71 17.230 -5.915 -5.075 597 1HZ LYS 71 3HZ LYS 71 18.142 -8.709 -4.641 598 2HZ LYS 71 2HZ LYS 71 19.155 -7.372 -4.907 599 3HZ LYS 71 1HZ LYS 71 18.207 -7.455 -3.500 600 H ILE 72 H ILE 72 12.153 -4.926 -4.598 601 HA ILE 72 HA ILE 72 9.707 -5.330 -6.211 602 HB ILE 72 HB ILE 72 9.814 -3.969 -3.530 603 1HG1 ILE 72 2HG1 ILE 72 7.931 -6.062 -4.658 604 2HG1 ILE 72 1HG1 ILE 72 9.307 -6.418 -3.618 605 1HG2 ILE 72 2HG2 ILE 72 7.705 -3.750 -5.682 606 2HG2 ILE 72 1HG2 ILE 72 7.461 -3.256 -4.007 607 3HG2 ILE 72 3HG2 ILE 72 8.662 -2.436 -5.000 608 1HD1 ILE 72 1HD1 ILE 72 8.277 -4.811 -1.924 609 2HD1 ILE 72 3HD1 ILE 72 6.822 -4.845 -2.921 610 3HD1 ILE 72 2HD1 ILE 72 7.412 -6.328 -2.171 611 H GLU 73 H GLU 73 10.436 -4.230 -7.924 612 HA GLU 73 HA GLU 73 11.896 -1.705 -7.685 613 1HB GLU 73 2HB GLU 73 10.979 -3.454 -9.948 614 2HB GLU 73 1HB GLU 73 11.405 -1.778 -10.286 615 1HG GLU 73 2HG GLU 73 13.423 -2.818 -8.571 616 2HG GLU 73 1HG GLU 73 13.162 -4.008 -9.846 617 H VAL 74 H VAL 74 9.934 -0.966 -6.313 618 HA VAL 74 HA VAL 74 7.384 -0.426 -7.243 619 HB VAL 74 HB VAL 74 7.947 1.944 -5.929 620 1HG1 VAL 74 1HG1 VAL 74 6.627 -0.562 -5.468 621 2HG1 VAL 74 3HG1 VAL 74 7.353 0.022 -3.972 622 3HG1 VAL 74 2HG1 VAL 74 6.219 1.042 -4.859 623 1HG2 VAL 74 1HG2 VAL 74 10.282 1.122 -5.512 624 2HG2 VAL 74 3HG2 VAL 74 9.360 1.390 -4.035 625 3HG2 VAL 74 2HG2 VAL 74 9.598 -0.248 -4.638 626 H GLU 75 H GLU 75 6.609 0.583 -8.929 627 HA GLU 75 HA GLU 75 8.286 2.453 -10.493 628 1HB GLU 75 2HB GLU 75 7.049 0.539 -11.541 629 2HB GLU 75 1HB GLU 75 5.538 1.298 -11.054 630 1HG GLU 75 2HG GLU 75 5.693 2.940 -12.642 631 2HG GLU 75 1HG GLU 75 7.451 2.965 -12.599 632 H PHE 76 H PHE 76 8.187 4.305 -9.070 633 HA PHE 76 HA PHE 76 5.460 5.448 -8.666 634 1HB PHE 76 2HB PHE 76 6.911 7.073 -7.116 635 2HB PHE 76 1HB PHE 76 6.315 5.529 -6.538 636 HD1 PHE 76 HD2 PHE 76 9.268 7.140 -8.147 637 HD2 PHE 76 HD1 PHE 76 7.798 3.887 -5.761 638 HE1 PHE 76 HE2 PHE 76 11.596 6.417 -7.703 639 HE2 PHE 76 HE1 PHE 76 10.126 3.164 -5.313 640 HZ PHE 76 HZ PHE 76 12.027 4.430 -6.282 641 H ASP 77 H ASP 77 6.726 5.689 -11.241 642 HA ASP 77 HA ASP 77 7.404 7.246 -12.856 643 1HB ASP 77 2HB ASP 77 5.957 9.188 -12.966 644 2HB ASP 77 1HB ASP 77 5.020 7.814 -12.397 645 H LYS 78 H LYS 78 7.793 9.951 -12.917 646 HA LYS 78 HA LYS 78 10.404 10.244 -11.685 647 1HB LYS 78 2HB LYS 78 10.102 12.697 -12.484 648 2HB LYS 78 1HB LYS 78 10.171 11.438 -13.711 649 1HG LYS 78 2HG LYS 78 7.925 11.628 -14.230 650 2HG LYS 78 1HG LYS 78 7.485 12.139 -12.603 651 1HD LYS 78 2HD LYS 78 8.516 14.343 -13.009 652 2HD LYS 78 1HD LYS 78 8.959 13.835 -14.640 653 1HE LYS 78 2HE LYS 78 6.093 13.653 -13.746 654 2HE LYS 78 1HE LYS 78 6.747 15.199 -14.283 655 1HZ LYS 78 3HZ LYS 78 7.463 14.091 -16.343 656 2HZ LYS 78 2HZ LYS 78 6.702 12.663 -15.828 657 3HZ LYS 78 1HZ LYS 78 5.781 14.055 -16.137 658 H GLY 79 H GLY 79 10.389 10.335 -9.430 659 1HA GLY 79 2HA GLY 79 10.258 11.518 -7.397 660 2HA GLY 79 1HA GLY 79 9.253 12.726 -8.196 661 H GLN 80 H GLN 80 8.567 11.818 -5.701 662 HA GLN 80 HA GLN 80 6.834 9.615 -5.457 663 1HB GLN 80 2HB GLN 80 7.277 12.131 -4.009 664 2HB GLN 80 1HB GLN 80 5.617 11.546 -3.887 665 1HG GLN 80 2HG GLN 80 7.147 9.239 -3.571 666 2HG GLN 80 1HG GLN 80 8.055 10.465 -2.685 667 1HE2 GLN 80 2HE2 GLN 80 4.169 9.804 -1.464 668 2HE2 GLN 80 1HE2 GLN 80 4.533 9.709 -3.119 669 H ARG 81 H ARG 81 6.238 12.781 -6.904 670 HA ARG 81 HA ARG 81 4.608 13.349 -8.507 671 1HB ARG 81 2HB ARG 81 4.422 10.775 -8.827 672 2HB ARG 81 1HB ARG 81 2.986 10.910 -7.811 673 1HG ARG 81 2HG ARG 81 2.169 11.141 -10.027 674 2HG ARG 81 1HG ARG 81 2.244 12.790 -9.408 675 1HD ARG 81 2HD ARG 81 4.799 12.223 -10.497 676 2HD ARG 81 1HD ARG 81 3.621 11.648 -11.673 677 HE ARG 81 HE ARG 81 4.292 14.295 -11.516 678 1HH1 ARG 81 1HH2 ARG 81 2.544 15.337 -9.666 679 2HH1 ARG 81 2HH2 ARG 81 0.992 15.429 -10.429 680 1HH2 ARG 81 2HH1 ARG 81 1.812 13.198 -12.965 681 2HH2 ARG 81 1HH1 ARG 81 0.577 14.214 -12.302 682 H THR 82 H THR 82 3.537 12.097 -5.347 683 HA THR 82 HA THR 82 1.790 14.492 -5.129 684 HB THR 82 HB THR 82 0.085 12.923 -3.968 685 HG1 THR 82 HG1 THR 82 1.437 11.072 -5.639 686 1HG2 THR 82 3HG2 THR 82 0.036 14.099 -6.311 687 2HG2 THR 82 2HG2 THR 82 0.270 12.465 -6.929 688 3HG2 THR 82 1HG2 THR 82 -1.146 12.842 -5.948 689 H ASP 83 H ASP 83 1.649 11.833 -2.849 690 HA ASP 83 HA ASP 83 2.453 11.579 -0.689 691 1HB ASP 83 2HB ASP 83 4.675 11.883 -0.698 692 2HB ASP 83 1HB ASP 83 4.552 12.993 -2.053 693 H LYS 84 H LYS 84 0.997 14.401 -1.831 694 HA LYS 84 HA LYS 84 0.790 15.608 0.885 695 1HB LYS 84 2HB LYS 84 0.011 16.619 -1.864 696 2HB LYS 84 1HB LYS 84 -0.399 17.468 -0.373 697 1HG LYS 84 2HG LYS 84 2.440 16.687 -1.085 698 2HG LYS 84 1HG LYS 84 1.739 18.242 -1.531 699 1HD LYS 84 2HD LYS 84 2.430 18.964 0.500 700 2HD LYS 84 1HD LYS 84 1.093 18.020 1.157 701 1HE LYS 84 2HE LYS 84 2.877 16.040 0.922 702 2HE LYS 84 1HE LYS 84 4.010 17.381 1.078 703 1HZ LYS 84 1HZ LYS 84 2.842 18.057 3.102 704 2HZ LYS 84 3HZ LYS 84 1.810 16.717 2.960 705 3HZ LYS 84 2HZ LYS 84 3.470 16.485 3.234 706 H TYR 85 H TYR 85 -0.947 13.908 -1.561 707 HA TYR 85 HA TYR 85 -3.123 13.216 0.236 708 1HB TYR 85 2HB TYR 85 -4.098 15.299 -0.498 709 2HB TYR 85 1HB TYR 85 -3.641 14.990 -2.174 710 HD1 TYR 85 HD1 TYR 85 -5.672 13.553 0.630 711 HD2 TYR 85 HD2 TYR 85 -5.135 13.890 -3.619 712 HE1 TYR 85 HE1 TYR 85 -7.789 12.314 0.264 713 HE2 TYR 85 HE2 TYR 85 -7.252 12.656 -3.985 714 HH TYR 85 HH TYR 85 -9.567 12.329 -1.965 715 H GLY 86 H GLY 86 -1.747 13.250 -3.036 716 1HA GLY 86 2HA GLY 86 -3.116 10.962 -4.061 717 2HA GLY 86 1HA GLY 86 -1.585 11.595 -4.663 718 H ARG 87 H ARG 87 -0.743 11.227 -1.592 719 HA ARG 87 HA ARG 87 0.314 9.571 -0.313 720 1HB ARG 87 2HB ARG 87 -1.944 8.397 -1.342 721 2HB ARG 87 1HB ARG 87 -0.672 7.349 -1.957 722 1HG ARG 87 2HG ARG 87 0.091 6.823 0.239 723 2HG ARG 87 1HG ARG 87 -0.852 8.131 0.958 724 1HD ARG 87 2HD ARG 87 -1.791 5.662 1.036 725 2HD ARG 87 1HD ARG 87 -2.877 7.002 0.708 726 HE ARG 87 HE ARG 87 -1.817 6.104 -1.789 727 1HH1 ARG 87 1HH2 ARG 87 -4.633 5.946 -0.077 728 2HH1 ARG 87 2HH2 ARG 87 -5.152 4.409 -0.684 729 1HH2 ARG 87 2HH1 ARG 87 -2.121 3.693 -2.218 730 2HH2 ARG 87 1HH1 ARG 87 -3.729 3.135 -1.903 731 H VAL 88 H VAL 88 1.234 7.013 -1.402 732 HA VAL 88 HA VAL 88 3.468 8.044 -3.052 733 HB VAL 88 HB VAL 88 3.315 5.181 -2.180 734 1HG1 VAL 88 3HG1 VAL 88 5.212 6.188 -3.503 735 2HG1 VAL 88 2HG1 VAL 88 5.553 7.238 -2.129 736 3HG1 VAL 88 1HG1 VAL 88 5.720 5.491 -1.964 737 1HG2 VAL 88 2HG2 VAL 88 3.211 7.501 -0.361 738 2HG2 VAL 88 1HG2 VAL 88 2.934 5.794 -0.020 739 3HG2 VAL 88 3HG2 VAL 88 4.576 6.431 -0.052 740 H LEU 89 H LEU 89 2.013 8.320 -4.898 741 HA LEU 89 HA LEU 89 0.557 6.145 -6.065 742 1HB LEU 89 2HB LEU 89 1.716 8.597 -7.442 743 2HB LEU 89 1HB LEU 89 0.428 7.567 -8.067 744 HG LEU 89 HG LEU 89 0.266 9.061 -5.434 745 1HD1 LEU 89 2HD1 LEU 89 0.388 10.559 -7.453 746 2HD1 LEU 89 1HD1 LEU 89 -1.066 9.766 -8.058 747 3HD1 LEU 89 3HD1 LEU 89 -1.123 10.681 -6.552 748 1HD2 LEU 89 3HD2 LEU 89 -1.636 7.375 -7.057 749 2HD2 LEU 89 2HD2 LEU 89 -1.242 7.251 -5.342 750 3HD2 LEU 89 1HD2 LEU 89 -2.240 8.584 -5.924 751 H ALA 90 H ALA 90 1.840 4.319 -6.198 752 HA ALA 90 HA ALA 90 3.672 4.163 -8.475 753 1HB ALA 90 3HB ALA 90 4.838 4.840 -6.103 754 2HB ALA 90 2HB ALA 90 4.903 3.080 -6.016 755 3HB ALA 90 1HB ALA 90 5.651 3.922 -7.370 756 H TYR 91 H TYR 91 3.777 2.055 -9.257 757 HA TYR 91 HA TYR 91 2.030 0.090 -7.913 758 1HB TYR 91 2HB TYR 91 3.064 0.467 -10.661 759 2HB TYR 91 1HB TYR 91 2.864 -1.204 -10.134 760 HD1 TYR 91 HD1 TYR 91 0.722 1.124 -8.417 761 HD2 TYR 91 HD2 TYR 91 1.067 -1.246 -11.983 762 HE1 TYR 91 HE1 TYR 91 -1.716 1.293 -8.754 763 HE2 TYR 91 HE2 TYR 91 -1.379 -1.071 -12.321 764 HH TYR 91 HH TYR 91 -3.228 0.724 -11.549 765 H ILE 92 H ILE 92 2.853 -2.230 -7.848 766 HA ILE 92 HA ILE 92 5.648 -2.128 -6.789 767 HB ILE 92 HB ILE 92 3.628 -4.287 -6.193 768 1HG1 ILE 92 2HG1 ILE 92 2.533 -2.185 -5.586 769 2HG1 ILE 92 1HG1 ILE 92 3.082 -2.987 -4.117 770 1HG2 ILE 92 3HG2 ILE 92 6.125 -4.469 -5.660 771 2HG2 ILE 92 2HG2 ILE 92 5.851 -3.187 -4.480 772 3HG2 ILE 92 1HG2 ILE 92 5.014 -4.729 -4.318 773 1HD1 ILE 92 1HD1 ILE 92 5.243 -1.535 -4.415 774 2HD1 ILE 92 3HD1 ILE 92 4.235 -0.550 -5.475 775 3HD1 ILE 92 2HD1 ILE 92 3.789 -0.764 -3.784 776 H TYR 93 H TYR 93 7.179 -3.167 -7.909 777 HA TYR 93 HA TYR 93 6.332 -5.245 -9.888 778 1HB TYR 93 2HB TYR 93 8.579 -3.215 -10.077 779 2HB TYR 93 1HB TYR 93 8.234 -4.463 -11.279 780 HD1 TYR 93 HD1 TYR 93 6.503 -1.723 -9.383 781 HD2 TYR 93 HD2 TYR 93 6.787 -3.969 -13.020 782 HE1 TYR 93 HE1 TYR 93 4.749 -0.333 -10.379 783 HE2 TYR 93 HE2 TYR 93 5.028 -2.579 -14.026 784 HH TYR 93 HH TYR 93 4.147 0.281 -13.045 785 H ALA 94 H ALA 94 6.778 -7.050 -8.582 786 HA ALA 94 HA ALA 94 9.466 -7.212 -7.418 787 1HB ALA 94 1HB ALA 94 7.319 -7.891 -6.181 788 2HB ALA 94 3HB ALA 94 7.309 -9.312 -7.226 789 3HB ALA 94 2HB ALA 94 8.659 -9.036 -6.125 790 H ASP 95 H ASP 95 9.472 -10.160 -7.601 791 HA ASP 95 HA ASP 95 11.182 -10.714 -9.663 792 1HB ASP 95 2HB ASP 95 10.298 -12.284 -7.865 793 2HB ASP 95 1HB ASP 95 8.935 -12.600 -8.936 794 H GLY 96 H GLY 96 7.629 -11.144 -9.985 795 1HA GLY 96 2HA GLY 96 7.792 -10.314 -12.827 796 2HA GLY 96 1HA GLY 96 7.184 -11.939 -12.521 797 H LYS 97 H LYS 97 6.610 -9.202 -10.378 798 HA LYS 97 HA LYS 97 3.747 -9.669 -10.673 799 1HB LYS 97 2HB LYS 97 5.240 -8.725 -8.588 800 2HB LYS 97 1HB LYS 97 4.601 -7.222 -9.247 801 1HG LYS 97 2HG LYS 97 2.809 -7.773 -7.938 802 2HG LYS 97 1HG LYS 97 2.366 -8.699 -9.366 803 1HD LYS 97 2HD LYS 97 3.825 -10.584 -8.277 804 2HD LYS 97 1HD LYS 97 3.566 -9.676 -6.790 805 1HE LYS 97 2HE LYS 97 1.232 -9.980 -6.863 806 2HE LYS 97 1HE LYS 97 1.248 -10.384 -8.579 807 1HZ LYS 97 3HZ LYS 97 2.428 -12.430 -8.043 808 2HZ LYS 97 2HZ LYS 97 2.383 -12.042 -6.389 809 3HZ LYS 97 1HZ LYS 97 0.941 -12.355 -7.232 810 H MET 98 H MET 98 5.094 -6.380 -10.609 811 HA MET 98 HA MET 98 4.684 -4.582 -12.031 812 1HB MET 98 2HB MET 98 4.551 -6.653 -14.247 813 2HB MET 98 1HB MET 98 5.012 -4.959 -14.388 814 1HG MET 98 2HG MET 98 7.161 -5.509 -14.021 815 2HG MET 98 1HG MET 98 6.728 -6.181 -12.451 816 1HE MET 98 1HE MET 98 9.113 -7.183 -13.927 817 2HE MET 98 3HE MET 98 8.551 -8.031 -12.480 818 3HE MET 98 2HE MET 98 8.969 -8.938 -13.931 819 H VAL 99 H VAL 99 2.543 -6.413 -10.863 820 HA VAL 99 HA VAL 99 0.256 -6.661 -10.914 821 HB VAL 99 HB VAL 99 0.946 -4.007 -11.330 822 1HG1 VAL 99 2HG1 VAL 99 0.246 -4.563 -13.786 823 2HG1 VAL 99 1HG1 VAL 99 -1.395 -4.498 -13.142 824 3HG1 VAL 99 3HG1 VAL 99 -0.346 -3.086 -13.030 825 1HG2 VAL 99 3HG2 VAL 99 -0.667 -5.031 -9.715 826 2HG2 VAL 99 2HG2 VAL 99 -1.237 -3.532 -10.447 827 3HG2 VAL 99 1HG2 VAL 99 -1.862 -5.083 -11.009 828 H ASN 100 H ASN 100 2.027 -7.782 -13.155 829 HA ASN 100 HA ASN 100 0.688 -7.648 -15.665 830 1HB ASN 100 2HB ASN 100 2.988 -8.712 -14.952 831 2HB ASN 100 1HB ASN 100 2.024 -10.177 -14.761 832 1HD2 ASN 100 2HD2 ASN 100 1.575 -10.655 -18.248 833 2HD2 ASN 100 1HD2 ASN 100 1.134 -11.166 -16.690 834 H GLU 101 H GLU 101 -0.024 -9.631 -12.812 835 HA GLU 101 HA GLU 101 -1.647 -11.621 -13.959 836 1HB GLU 101 2HB GLU 101 -0.990 -11.238 -11.469 837 2HB GLU 101 1HB GLU 101 -2.462 -10.270 -11.394 838 1HG GLU 101 2HG GLU 101 -3.426 -12.293 -10.914 839 2HG GLU 101 1HG GLU 101 -3.422 -12.459 -12.667 840 H ALA 102 H ALA 102 -2.523 -8.265 -13.121 841 HA ALA 102 HA ALA 102 -5.306 -8.609 -13.934 842 1HB ALA 102 2HB ALA 102 -3.669 -6.102 -13.421 843 2HB ALA 102 1HB ALA 102 -5.412 -6.131 -13.686 844 3HB ALA 102 3HB ALA 102 -4.723 -6.912 -12.262 845 H LEU 103 HN LEU 103 -5.385 -9.279 -16.085 846 HA LEU 103 HA LEU 103 -3.988 -7.588 -18.111 847 1HB LEU 103 2HB LEU 103 -4.041 -10.321 -17.873 848 2HB LEU 103 1HB LEU 103 -5.352 -10.047 -19.023 849 HG LEU 103 HG LEU 103 -3.591 -8.420 -20.153 850 1HD1 LEU 103 1HD1 LEU 103 -1.926 -8.752 -18.318 851 2HD1 LEU 103 3HD1 LEU 103 -1.817 -10.454 -18.767 852 3HD1 LEU 103 2HD1 LEU 103 -1.296 -9.209 -19.901 853 1HD2 LEU 103 2HD2 LEU 103 -4.583 -10.433 -21.196 854 2HD2 LEU 103 1HD2 LEU 103 -2.865 -10.306 -21.574 855 3HD2 LEU 103 3HD2 LEU 103 -3.415 -11.446 -20.348 No H/Q in entry = 855 Start of MODEL 5 Raw file had 866 H/Q atoms Start of MODEL 5 1 1H ALA 1 3H ALA 1 19.025 18.141 -18.263 2 2H ALA 1 2H ALA 1 19.479 18.097 -19.900 3 3H ALA 1 1H ALA 1 18.770 19.498 -19.248 4 HA ALA 1 HA ALA 1 16.696 18.320 -18.879 5 1HB ALA 1 2HB ALA 1 17.821 18.094 -21.689 6 2HB ALA 1 1HB ALA 1 16.109 17.972 -21.282 7 3HB ALA 1 3HB ALA 1 16.976 19.485 -21.008 8 H THR 2 H THR 2 15.987 16.384 -18.159 9 HA THR 2 HA THR 2 17.148 13.901 -19.362 10 HB THR 2 HB THR 2 16.810 12.847 -17.075 11 HG1 THR 2 HG1 THR 2 15.737 14.075 -15.761 12 1HG2 THR 2 2HG2 THR 2 19.022 13.621 -17.948 13 2HG2 THR 2 1HG2 THR 2 18.748 15.174 -17.158 14 3HG2 THR 2 3HG2 THR 2 18.901 13.707 -16.191 15 H SER 3 H SER 3 14.394 15.125 -17.413 16 HA SER 3 HA SER 3 12.124 14.567 -17.451 17 1HB SER 3 2HB SER 3 12.869 14.007 -20.336 18 2HB SER 3 1HB SER 3 11.214 13.958 -19.739 19 HG SER 3 HG SER 3 12.667 16.069 -20.461 20 H THR 4 H THR 4 13.312 12.686 -16.106 21 HA THR 4 HA THR 4 12.369 10.094 -17.272 22 HB THR 4 HB THR 4 14.602 10.283 -15.246 23 HG1 THR 4 HG1 THR 4 14.816 10.355 -18.077 24 1HG2 THR 4 2HG2 THR 4 13.524 8.096 -15.649 25 2HG2 THR 4 1HG2 THR 4 13.883 8.242 -17.369 26 3HG2 THR 4 3HG2 THR 4 15.198 8.098 -16.203 27 H LYS 5 H LYS 5 10.670 11.784 -15.788 28 HA LYS 5 HA LYS 5 10.443 10.302 -13.196 29 1HB LYS 5 2HB LYS 5 10.190 13.182 -13.862 30 2HB LYS 5 1HB LYS 5 8.960 12.545 -12.771 31 1HG LYS 5 2HG LYS 5 10.599 13.079 -11.229 32 2HG LYS 5 1HG LYS 5 11.076 11.424 -11.606 33 1HD LYS 5 2HD LYS 5 12.465 12.591 -13.530 34 2HD LYS 5 1HD LYS 5 12.332 14.003 -12.482 35 1HE LYS 5 2HE LYS 5 14.312 12.994 -11.726 36 2HE LYS 5 1HE LYS 5 13.109 12.377 -10.593 37 1HZ LYS 5 1HZ LYS 5 13.998 10.961 -13.049 38 2HZ LYS 5 3HZ LYS 5 14.575 10.636 -11.488 39 3HZ LYS 5 2HZ LYS 5 12.941 10.362 -11.861 40 H LYS 6 H LYS 6 9.230 8.702 -14.423 41 HA LYS 6 HA LYS 6 6.351 9.315 -14.551 42 1HB LYS 6 2HB LYS 6 7.749 8.037 -16.924 43 2HB LYS 6 1HB LYS 6 6.043 8.452 -16.799 44 1HG LYS 6 2HG LYS 6 8.184 10.560 -16.551 45 2HG LYS 6 1HG LYS 6 7.577 10.051 -18.125 46 1HD LYS 6 2HD LYS 6 5.221 10.431 -16.892 47 2HD LYS 6 1HD LYS 6 6.193 11.573 -15.965 48 1HE LYS 6 2HE LYS 6 6.901 12.696 -18.012 49 2HE LYS 6 1HE LYS 6 6.048 11.505 -18.993 50 1HZ LYS 6 3HZ LYS 6 4.776 13.331 -17.025 51 2HZ LYS 6 2HZ LYS 6 4.766 13.545 -18.709 52 3HZ LYS 6 1HZ LYS 6 3.969 12.215 -18.015 53 H LEU 7 H LEU 7 8.608 6.779 -15.644 54 HA LEU 7 HA LEU 7 7.496 4.912 -13.612 55 1HB LEU 7 2HB LEU 7 7.467 4.533 -16.606 56 2HB LEU 7 1HB LEU 7 7.561 3.138 -15.531 57 HG LEU 7 HG LEU 7 5.458 5.255 -15.107 58 1HD1 LEU 7 2HD1 LEU 7 5.272 4.510 -17.458 59 2HD1 LEU 7 1HD1 LEU 7 5.246 2.831 -16.920 60 3HD1 LEU 7 3HD1 LEU 7 3.923 3.915 -16.490 61 1HD2 LEU 7 1HD2 LEU 7 5.741 2.308 -14.446 62 2HD2 LEU 7 3HD2 LEU 7 5.736 3.657 -13.311 63 3HD2 LEU 7 2HD2 LEU 7 4.262 3.230 -14.179 64 H HIS 8 H HIS 8 9.328 4.381 -12.494 65 HA HIS 8 HA HIS 8 11.674 3.428 -14.034 66 1HB HIS 8 2HB HIS 8 11.749 5.946 -13.108 67 2HB HIS 8 1HB HIS 8 12.261 5.101 -11.649 68 HD1 HIS 8 HD1 HIS 8 13.395 6.061 -15.048 69 HD2 HIS 8 HD2 HIS 8 14.701 3.558 -11.981 70 HE1 HIS 8 HE1 HIS 8 15.794 5.456 -15.590 71 H LYS 9 H LYS 9 12.294 1.562 -13.246 72 HA LYS 9 HA LYS 9 11.126 0.305 -10.955 73 1HB LYS 9 2HB LYS 9 13.127 -1.336 -11.298 74 2HB LYS 9 1HB LYS 9 11.911 -1.210 -12.568 75 1HG LYS 9 2HG LYS 9 13.314 -0.017 -13.986 76 2HG LYS 9 1HG LYS 9 14.289 0.613 -12.659 77 1HD LYS 9 2HD LYS 9 15.721 -0.996 -13.570 78 2HD LYS 9 1HD LYS 9 14.926 -1.911 -12.290 79 1HE LYS 9 2HE LYS 9 13.514 -1.895 -14.896 80 2HE LYS 9 1HE LYS 9 15.059 -2.745 -14.880 81 1HZ LYS 9 2HZ LYS 9 14.253 -3.933 -12.868 82 2HZ LYS 9 1HZ LYS 9 12.726 -3.228 -13.110 83 3HZ LYS 9 3HZ LYS 9 13.367 -4.279 -14.275 84 H GLU 10 H GLU 10 11.905 -0.020 -8.893 85 HA GLU 10 HA GLU 10 14.564 0.847 -8.053 86 1HB GLU 10 2HB GLU 10 12.193 2.590 -7.731 87 2HB GLU 10 1HB GLU 10 13.098 2.312 -6.244 88 1HG GLU 10 2HG GLU 10 14.775 3.655 -6.923 89 2HG GLU 10 1HG GLU 10 14.894 2.821 -8.472 90 HA PRO 11 HA PRO 11 13.300 -2.689 -5.682 91 1HB PRO 11 2HB PRO 11 15.676 -2.264 -4.055 92 2HB PRO 11 1HB PRO 11 15.292 -3.604 -5.146 93 1HG PRO 11 2HG PRO 11 17.168 -1.553 -5.638 94 2HG PRO 11 1HG PRO 11 16.553 -2.719 -6.817 95 1HD PRO 11 2HD PRO 11 15.975 0.138 -6.619 96 2HD PRO 11 1HD PRO 11 15.532 -0.998 -7.910 97 H ALA 12 H ALA 12 12.249 -2.974 -3.799 98 HA ALA 12 HA ALA 12 12.262 -0.766 -1.787 99 1HB ALA 12 3HB ALA 12 10.256 -0.614 -3.225 100 2HB ALA 12 2HB ALA 12 9.853 -2.285 -2.833 101 3HB ALA 12 1HB ALA 12 9.820 -1.052 -1.575 102 H THR 13 H THR 13 10.300 -2.147 -0.119 103 HA THR 13 HA THR 13 11.460 -4.793 0.441 104 HB THR 13 HB THR 13 12.986 -3.374 1.700 105 HG1 THR 13 HG1 THR 13 11.046 -4.350 3.518 106 1HG2 THR 13 2HG2 THR 13 10.813 -1.642 1.898 107 2HG2 THR 13 1HG2 THR 13 11.057 -2.207 3.551 108 3HG2 THR 13 3HG2 THR 13 12.382 -1.436 2.678 109 H LEU 14 H LEU 14 9.496 -5.768 0.212 110 HA LEU 14 HA LEU 14 6.969 -4.826 0.741 111 1HB LEU 14 2HB LEU 14 6.189 -7.104 1.004 112 2HB LEU 14 1HB LEU 14 7.389 -7.029 -0.271 113 HG LEU 14 HG LEU 14 8.029 -8.953 0.860 114 1HD1 LEU 14 1HD1 LEU 14 9.543 -6.783 2.330 115 2HD1 LEU 14 3HD1 LEU 14 10.005 -8.481 2.270 116 3HD1 LEU 14 2HD1 LEU 14 9.993 -7.520 0.794 117 1HD2 LEU 14 2HD2 LEU 14 6.532 -7.784 3.002 118 2HD2 LEU 14 1HD2 LEU 14 7.024 -9.464 2.790 119 3HD2 LEU 14 3HD2 LEU 14 8.085 -8.335 3.632 120 H ILE 15 H ILE 15 5.994 -3.994 2.461 121 HA ILE 15 HA ILE 15 7.133 -4.588 5.128 122 HB ILE 15 HB ILE 15 5.037 -2.532 4.355 123 1HG1 ILE 15 2HG1 ILE 15 7.944 -2.029 5.031 124 2HG1 ILE 15 1HG1 ILE 15 7.403 -2.275 3.371 125 1HG2 ILE 15 3HG2 ILE 15 6.634 -3.002 6.888 126 2HG2 ILE 15 2HG2 ILE 15 5.695 -1.543 6.576 127 3HG2 ILE 15 1HG2 ILE 15 4.883 -3.102 6.703 128 1HD1 ILE 15 1HD1 ILE 15 5.652 -0.429 3.895 129 2HD1 ILE 15 3HD1 ILE 15 6.690 -0.041 5.266 130 3HD1 ILE 15 2HD1 ILE 15 7.322 0.067 3.624 131 H LYS 16 H LYS 16 3.872 -4.363 3.646 132 HA LYS 16 HA LYS 16 2.977 -6.888 4.612 133 1HB LYS 16 2HB LYS 16 3.170 -5.089 6.707 134 2HB LYS 16 1HB LYS 16 1.479 -4.940 6.229 135 1HG LYS 16 2HG LYS 16 2.635 -7.690 6.460 136 2HG LYS 16 1HG LYS 16 2.260 -6.818 7.947 137 1HD LYS 16 2HD LYS 16 -0.029 -6.685 7.449 138 2HD LYS 16 1HD LYS 16 0.233 -6.956 5.725 139 1HE LYS 16 2HE LYS 16 1.014 -9.102 7.672 140 2HE LYS 16 1HE LYS 16 -0.684 -8.912 7.240 141 1HZ LYS 16 2HZ LYS 16 1.553 -9.274 5.319 142 2HZ LYS 16 1HZ LYS 16 0.441 -10.474 5.776 143 3HZ LYS 16 3HZ LYS 16 -0.089 -9.114 4.913 144 H ALA 17 H ALA 17 1.269 -7.373 3.307 145 HA ALA 17 HA ALA 17 0.034 -5.326 1.648 146 1HB ALA 17 2HB ALA 17 0.340 -7.696 0.897 147 2HB ALA 17 1HB ALA 17 -0.844 -8.202 2.103 148 3HB ALA 17 3HB ALA 17 -1.335 -7.158 0.768 149 H ILE 18 H ILE 18 -1.154 -3.868 2.703 150 HA ILE 18 HA ILE 18 -2.699 -4.309 5.062 151 HB ILE 18 HB ILE 18 -2.706 -2.181 2.920 152 1HG1 ILE 18 2HG1 ILE 18 -2.063 -1.553 5.735 153 2HG1 ILE 18 1HG1 ILE 18 -0.957 -2.695 4.971 154 1HG2 ILE 18 2HG2 ILE 18 -4.360 -2.326 5.465 155 2HG2 ILE 18 1HG2 ILE 18 -4.106 -0.842 4.548 156 3HG2 ILE 18 3HG2 ILE 18 -4.966 -2.195 3.814 157 1HD1 ILE 18 2HD1 ILE 18 -0.792 -1.069 3.026 158 2HD1 ILE 18 1HD1 ILE 18 -1.669 0.092 4.021 159 3HD1 ILE 18 3HD1 ILE 18 -0.087 -0.495 4.537 160 H ASP 19 H ASP 19 -3.994 -3.570 1.788 161 HA ASP 19 HA ASP 19 -5.824 -5.780 1.742 162 1HB ASP 19 2HB ASP 19 -6.670 -3.842 3.485 163 2HB ASP 19 1HB ASP 19 -7.419 -3.297 1.985 164 H GLY 20 H GLY 20 -7.718 -4.981 0.034 165 1HA GLY 20 2HA GLY 20 -6.400 -4.501 -2.416 166 2HA GLY 20 1HA GLY 20 -8.146 -4.398 -2.168 167 H ASP 21 H ASP 21 -5.894 -2.671 -3.411 168 HA ASP 21 HA ASP 21 -5.995 -0.377 -4.054 169 1HB ASP 21 2HB ASP 21 -7.444 0.222 -1.466 170 2HB ASP 21 1HB ASP 21 -7.291 1.254 -2.875 171 H THR 22 H THR 22 -5.145 -1.536 -0.848 172 HA THR 22 HA THR 22 -3.058 0.594 -0.722 173 HB THR 22 HB THR 22 -3.090 0.187 1.763 174 HG1 THR 22 HG1 THR 22 -5.517 -1.170 1.242 175 1HG2 THR 22 1HG2 THR 22 -5.047 1.519 0.117 176 2HG2 THR 22 3HG2 THR 22 -5.798 0.959 1.611 177 3HG2 THR 22 2HG2 THR 22 -4.385 2.013 1.674 178 H VAL 23 H VAL 23 -0.992 -0.020 0.112 179 HA VAL 23 HA VAL 23 -0.343 -2.830 0.606 180 HB VAL 23 HB VAL 23 1.524 -2.636 -1.253 181 1HG1 VAL 23 2HG1 VAL 23 -0.552 -4.202 -1.042 182 2HG1 VAL 23 1HG1 VAL 23 -1.260 -3.156 -2.272 183 3HG1 VAL 23 3HG1 VAL 23 0.230 -4.038 -2.614 184 1HG2 VAL 23 2HG2 VAL 23 0.721 -0.262 -1.807 185 2HG2 VAL 23 1HG2 VAL 23 0.931 -1.353 -3.176 186 3HG2 VAL 23 3HG2 VAL 23 -0.685 -1.024 -2.551 187 H LYS 24 H LYS 24 1.074 -2.690 2.282 188 HA LYS 24 HA LYS 24 2.486 -0.184 2.801 189 1HB LYS 24 2HB LYS 24 1.515 -2.137 4.436 190 2HB LYS 24 1HB LYS 24 3.221 -2.578 4.380 191 1HG LYS 24 2HG LYS 24 3.885 -0.371 5.112 192 2HG LYS 24 1HG LYS 24 2.229 0.222 4.977 193 1HD LYS 24 2HD LYS 24 1.532 -1.406 6.726 194 2HD LYS 24 1HD LYS 24 3.215 -1.907 6.900 195 1HE LYS 24 2HE LYS 24 2.489 1.001 7.145 196 2HE LYS 24 1HE LYS 24 2.253 -0.082 8.518 197 1HZ LYS 24 1HZ LYS 24 4.585 -0.735 8.337 198 2HZ LYS 24 3HZ LYS 24 4.801 0.352 7.052 199 3HZ LYS 24 2HZ LYS 24 4.427 0.935 8.602 200 H LEU 25 H LEU 25 4.304 0.277 1.730 201 HA LEU 25 HA LEU 25 6.512 -1.649 1.628 202 1HB LEU 25 2HB LEU 25 5.196 -2.274 -0.370 203 2HB LEU 25 1HB LEU 25 5.259 -0.607 -0.934 204 HG LEU 25 HG LEU 25 7.923 -1.541 -0.304 205 1HD1 LEU 25 2HD1 LEU 25 6.146 -3.365 -1.838 206 2HD1 LEU 25 1HD1 LEU 25 7.754 -3.080 -2.502 207 3HD1 LEU 25 3HD1 LEU 25 7.575 -3.734 -0.874 208 1HD2 LEU 25 2HD2 LEU 25 6.406 -0.296 -2.544 209 2HD2 LEU 25 1HD2 LEU 25 7.921 0.211 -1.795 210 3HD2 LEU 25 3HD2 LEU 25 7.913 -1.107 -2.969 211 H MET 26 H MET 26 8.517 -0.595 1.170 212 HA MET 26 HA MET 26 8.408 2.354 0.761 213 1HB MET 26 2HB MET 26 10.134 2.650 2.530 214 2HB MET 26 1HB MET 26 8.617 2.032 3.177 215 1HG MET 26 2HG MET 26 9.504 -0.226 3.255 216 2HG MET 26 1HG MET 26 10.980 0.288 2.438 217 1HE MET 26 1HE MET 26 9.781 -0.925 5.498 218 2HE MET 26 3HE MET 26 10.043 0.245 6.801 219 3HE MET 26 2HE MET 26 8.770 0.514 5.612 220 H TYR 27 H TYR 27 10.293 3.194 -0.268 221 HA TYR 27 HA TYR 27 11.844 1.141 -1.724 222 1HB TYR 27 2HB TYR 27 12.823 3.704 -2.444 223 2HB TYR 27 1HB TYR 27 11.786 2.652 -3.398 224 HD1 TYR 27 HD2 TYR 27 11.892 5.530 -1.107 225 HD2 TYR 27 HD1 TYR 27 9.367 3.010 -3.500 226 HE1 TYR 27 HE2 TYR 27 10.047 7.168 -0.880 227 HE2 TYR 27 HE1 TYR 27 7.520 4.649 -3.273 228 HH TYR 27 HH TYR 27 7.707 7.555 -2.660 229 H LYS 28 H LYS 28 12.396 1.013 0.899 230 HA LYS 28 HA LYS 28 14.093 1.067 2.484 231 1HB LYS 28 2HB LYS 28 15.622 1.275 -0.115 232 2HB LYS 28 1HB LYS 28 16.459 1.237 1.436 233 1HG LYS 28 2HG LYS 28 16.393 -1.028 1.017 234 2HG LYS 28 1HG LYS 28 14.836 -0.855 1.828 235 1HD LYS 28 2HD LYS 28 13.973 -1.818 -0.035 236 2HD LYS 28 1HD LYS 28 14.193 -0.233 -0.776 237 1HE LYS 28 2HE LYS 28 16.524 -2.113 -0.722 238 2HE LYS 28 1HE LYS 28 15.237 -2.407 -1.889 239 1HZ LYS 28 3HZ LYS 28 15.482 -0.067 -2.603 240 2HZ LYS 28 2HZ LYS 28 16.829 0.080 -1.578 241 3HZ LYS 28 1HZ LYS 28 16.867 -1.001 -2.888 242 H GLY 29 H GLY 29 12.872 3.243 2.797 243 1HA GLY 29 2HA GLY 29 14.846 5.202 3.567 244 2HA GLY 29 1HA GLY 29 13.948 5.752 2.153 245 H GLN 30 H GLN 30 11.424 4.535 2.854 246 HA GLN 30 HA GLN 30 10.659 5.484 5.508 247 1HB GLN 30 2HB GLN 30 8.977 7.159 4.525 248 2HB GLN 30 1HB GLN 30 10.667 7.658 4.548 249 1HG GLN 30 2HG GLN 30 10.907 6.954 2.189 250 2HG GLN 30 1HG GLN 30 9.213 6.464 2.164 251 1HE2 GLN 30 2HE2 GLN 30 8.133 9.714 1.382 252 2HE2 GLN 30 1HE2 GLN 30 7.847 8.042 1.324 253 HA PRO 31 HA PRO 31 7.783 2.194 4.643 254 1HB PRO 31 2HB PRO 31 6.236 2.999 6.944 255 2HB PRO 31 1HB PRO 31 7.324 1.613 6.791 256 1HG PRO 31 2HG PRO 31 7.776 4.039 8.273 257 2HG PRO 31 1HG PRO 31 8.868 2.659 8.098 258 1HD PRO 31 2HD PRO 31 9.130 5.272 6.915 259 2HD PRO 31 1HD PRO 31 10.214 3.878 6.727 260 H MET 32 H MET 32 6.387 2.640 2.958 261 HA MET 32 HA MET 32 4.394 4.843 3.365 262 1HB MET 32 2HB MET 32 5.882 3.991 0.877 263 2HB MET 32 1HB MET 32 4.455 5.026 0.823 264 1HG MET 32 2HG MET 32 6.887 5.653 2.514 265 2HG MET 32 1HG MET 32 6.670 6.263 0.875 266 1HE MET 32 1HE MET 32 6.961 7.006 3.904 267 2HE MET 32 3HE MET 32 6.517 8.706 3.695 268 3HE MET 32 2HE MET 32 5.544 7.657 4.723 269 H THR 33 H THR 33 2.646 4.525 1.461 270 HA THR 33 HA THR 33 1.740 1.716 1.292 271 HB THR 33 HB THR 33 -0.256 3.863 1.935 272 HG1 THR 33 HG1 THR 33 0.728 4.097 3.781 273 1HG2 THR 33 3HG2 THR 33 -0.117 0.889 2.480 274 2HG2 THR 33 2HG2 THR 33 -1.488 1.932 2.859 275 3HG2 THR 33 1HG2 THR 33 -1.027 1.657 1.180 276 H PHE 34 H PHE 34 1.026 1.350 -0.804 277 HA PHE 34 HA PHE 34 0.952 3.758 -2.545 278 1HB PHE 34 2HB PHE 34 1.272 0.836 -3.212 279 2HB PHE 34 1HB PHE 34 1.313 2.154 -4.380 280 HD1 PHE 34 HD2 PHE 34 2.992 0.778 -1.350 281 HD2 PHE 34 HD1 PHE 34 3.265 3.475 -4.678 282 HE1 PHE 34 HE2 PHE 34 5.387 1.158 -0.854 283 HE2 PHE 34 HE1 PHE 34 5.662 3.854 -4.178 284 HZ PHE 34 HZ PHE 34 6.724 2.694 -2.262 285 H ARG 35 H ARG 35 -0.740 4.326 -3.776 286 HA ARG 35 HA ARG 35 -3.091 2.574 -4.112 287 1HB ARG 35 2HB ARG 35 -3.862 3.636 -2.157 288 2HB ARG 35 1HB ARG 35 -3.102 5.170 -2.579 289 1HG ARG 35 2HG ARG 35 -4.726 5.635 -4.252 290 2HG ARG 35 1HG ARG 35 -5.315 3.975 -4.242 291 1HD ARG 35 2HD ARG 35 -5.539 5.858 -1.882 292 2HD ARG 35 1HD ARG 35 -6.826 5.590 -3.051 293 HE ARG 35 HE ARG 35 -6.103 3.035 -2.150 294 1HH1 ARG 35 2HH1 ARG 35 -6.292 5.759 -0.139 295 2HH1 ARG 35 1HH1 ARG 35 -7.500 5.103 0.910 296 1HH2 ARG 35 1HH2 ARG 35 -8.072 2.293 -1.044 297 2HH2 ARG 35 2HH2 ARG 35 -8.507 3.145 0.400 298 H LEU 36 H LEU 36 -3.835 2.856 -6.148 299 HA LEU 36 HA LEU 36 -3.851 5.379 -7.569 300 1HB LEU 36 2HB LEU 36 -2.153 4.565 -9.341 301 2HB LEU 36 1HB LEU 36 -1.494 5.147 -7.815 302 HG LEU 36 HG LEU 36 -2.109 2.215 -8.172 303 1HD1 LEU 36 1HD1 LEU 36 -0.671 3.068 -10.074 304 2HD1 LEU 36 3HD1 LEU 36 0.536 3.498 -8.864 305 3HD1 LEU 36 2HD1 LEU 36 0.064 1.814 -9.078 306 1HD2 LEU 36 3HD2 LEU 36 -0.562 3.936 -6.304 307 2HD2 LEU 36 2HD2 LEU 36 -1.451 2.447 -5.988 308 3HD2 LEU 36 1HD2 LEU 36 0.155 2.378 -6.705 309 H LEU 37 H LEU 37 -3.053 2.740 -9.668 310 HA LEU 37 HA LEU 37 -5.854 2.530 -10.518 311 1HB LEU 37 2HB LEU 37 -3.221 1.548 -11.497 312 2HB LEU 37 1HB LEU 37 -4.602 0.518 -11.853 313 HG LEU 37 HG LEU 37 -4.113 2.229 -13.639 314 1HD1 LEU 37 3HD1 LEU 37 -6.395 1.214 -13.190 315 2HD1 LEU 37 2HD1 LEU 37 -6.784 2.677 -12.286 316 3HD1 LEU 37 1HD1 LEU 37 -6.420 2.775 -14.009 317 1HD2 LEU 37 1HD2 LEU 37 -3.572 3.980 -11.739 318 2HD2 LEU 37 3HD2 LEU 37 -4.313 4.521 -13.245 319 3HD2 LEU 37 2HD2 LEU 37 -5.306 4.290 -11.806 320 H LEU 38 H LEU 38 -3.586 0.905 -8.455 321 HA LEU 38 HA LEU 38 -4.765 -1.676 -8.192 322 1HB LEU 38 2HB LEU 38 -2.991 0.086 -6.543 323 2HB LEU 38 1HB LEU 38 -3.781 -1.256 -5.720 324 HG LEU 38 HG LEU 38 -2.821 -2.848 -7.300 325 1HD1 LEU 38 2HD1 LEU 38 -1.741 -0.355 -8.643 326 2HD1 LEU 38 1HD1 LEU 38 -1.137 -1.976 -8.985 327 3HD1 LEU 38 3HD1 LEU 38 -2.815 -1.566 -9.342 328 1HD2 LEU 38 2HD2 LEU 38 -1.053 -0.887 -5.888 329 2HD2 LEU 38 1HD2 LEU 38 -1.293 -2.606 -5.573 330 3HD2 LEU 38 3HD2 LEU 38 -0.291 -2.088 -6.929 331 H VAL 39 H VAL 39 -5.527 1.477 -6.785 332 HA VAL 39 HA VAL 39 -7.480 0.347 -4.933 333 HB VAL 39 HB VAL 39 -6.318 2.362 -4.230 334 1HG1 VAL 39 2HG1 VAL 39 -7.297 3.388 -6.863 335 2HG1 VAL 39 1HG1 VAL 39 -7.182 4.527 -5.525 336 3HG1 VAL 39 3HG1 VAL 39 -5.752 3.647 -6.061 337 1HG2 VAL 39 2HG2 VAL 39 -9.162 2.061 -4.321 338 2HG2 VAL 39 1HG2 VAL 39 -8.193 2.895 -3.109 339 3HG2 VAL 39 3HG2 VAL 39 -8.793 3.774 -4.514 340 H ASP 40 H ASP 40 -9.195 -0.570 -5.826 341 HA ASP 40 HA ASP 40 -10.429 0.399 -8.292 342 1HB ASP 40 2HB ASP 40 -11.569 -1.639 -6.361 343 2HB ASP 40 1HB ASP 40 -11.914 -1.476 -8.081 344 H THR 41 H THR 41 -11.076 0.643 -4.821 345 HA THR 41 HA THR 41 -13.717 1.832 -5.182 346 HB THR 41 HB THR 41 -11.887 1.275 -2.860 347 HG1 THR 41 HG1 THR 41 -13.207 -0.349 -3.001 348 1HG2 THR 41 3HG2 THR 41 -14.182 3.218 -2.922 349 2HG2 THR 41 2HG2 THR 41 -13.794 2.326 -1.452 350 3HG2 THR 41 1HG2 THR 41 -12.597 3.402 -2.172 351 HA PRO 42 HA PRO 42 -12.292 5.917 -6.100 352 1HB PRO 42 2HB PRO 42 -14.685 7.076 -5.002 353 2HB PRO 42 1HB PRO 42 -14.289 6.802 -6.704 354 1HG PRO 42 2HG PRO 42 -16.196 5.364 -5.085 355 2HG PRO 42 1HG PRO 42 -15.806 5.105 -6.790 356 1HD PRO 42 2HD PRO 42 -15.104 3.436 -4.552 357 2HD PRO 42 1HD PRO 42 -14.693 3.192 -6.261 358 H GLU 43 H GLU 43 -11.951 8.033 -4.914 359 HA GLU 43 HA GLU 43 -11.253 7.496 -2.080 360 1HB GLU 43 2HB GLU 43 -10.561 9.813 -3.918 361 2HB GLU 43 1HB GLU 43 -9.982 9.638 -2.262 362 1HG GLU 43 2HG GLU 43 -9.563 7.411 -4.244 363 2HG GLU 43 1HG GLU 43 -8.471 8.795 -4.228 364 H THR 44 H THR 44 -14.057 7.840 -2.776 365 HA THR 44 HA THR 44 -14.673 10.137 -1.001 366 HB THR 44 HB THR 44 -16.573 10.771 -2.569 367 HG1 THR 44 HG1 THR 44 -16.789 9.211 -4.004 368 1HG2 THR 44 1HG2 THR 44 -14.357 11.984 -2.387 369 2HG2 THR 44 3HG2 THR 44 -13.824 11.070 -3.799 370 3HG2 THR 44 2HG2 THR 44 -15.188 12.182 -3.930 371 H LYS 45 H LYS 45 -17.231 10.055 -0.616 372 HA LYS 45 HA LYS 45 -17.791 7.362 0.391 373 1HB LYS 45 2HB LYS 45 -19.361 9.956 0.463 374 2HB LYS 45 1HB LYS 45 -19.941 8.452 1.180 375 1HG LYS 45 2HG LYS 45 -17.205 9.501 1.872 376 2HG LYS 45 1HG LYS 45 -18.632 10.142 2.686 377 1HD LYS 45 2HD LYS 45 -19.106 8.132 3.739 378 2HD LYS 45 1HD LYS 45 -18.331 7.169 2.481 379 1HE LYS 45 2HE LYS 45 -16.113 8.014 3.245 380 2HE LYS 45 1HE LYS 45 -16.921 8.878 4.553 381 1HZ LYS 45 3HZ LYS 45 -17.776 6.772 5.372 382 2HZ LYS 45 2HZ LYS 45 -16.995 5.941 4.112 383 3HZ LYS 45 1HZ LYS 45 -16.082 6.744 5.299 384 H HIS 46 H HIS 46 -18.515 5.851 -1.030 385 HA HIS 46 HA HIS 46 -20.564 6.692 -3.043 386 1HB HIS 46 2HB HIS 46 -19.658 4.991 -4.572 387 2HB HIS 46 1HB HIS 46 -18.403 6.143 -4.123 388 HD1 HIS 46 HD1 HIS 46 -19.442 2.570 -3.691 389 HD2 HIS 46 HD2 HIS 46 -16.361 5.073 -2.418 390 HE1 HIS 46 HE1 HIS 46 -17.672 1.069 -2.678 391 HA PRO 47 HA PRO 47 -23.261 3.756 -1.204 392 1HB PRO 47 2HB PRO 47 -24.574 3.146 -3.676 393 2HB PRO 47 1HB PRO 47 -25.105 4.274 -2.421 394 1HG PRO 47 2HG PRO 47 -24.050 4.904 -5.037 395 2HG PRO 47 1HG PRO 47 -24.618 6.025 -3.794 396 1HD PRO 47 2HD PRO 47 -21.898 5.512 -4.600 397 2HD PRO 47 1HD PRO 47 -22.473 6.638 -3.355 398 H LYS 48 H LYS 48 -23.479 1.479 -1.031 399 HA LYS 48 HA LYS 48 -22.163 -0.212 -3.096 400 1HB LYS 48 2HB LYS 48 -20.979 -1.488 -1.312 401 2HB LYS 48 1HB LYS 48 -20.424 0.181 -1.423 402 1HG LYS 48 2HG LYS 48 -21.994 0.771 0.442 403 2HG LYS 48 1HG LYS 48 -22.385 -0.941 0.601 404 1HD LYS 48 2HD LYS 48 -20.688 -0.670 2.194 405 2HD LYS 48 1HD LYS 48 -19.795 -1.256 0.790 406 1HE LYS 48 2HE LYS 48 -19.181 1.034 0.182 407 2HE LYS 48 1HE LYS 48 -20.141 1.669 1.518 408 1HZ LYS 48 1HZ LYS 48 -17.814 -0.156 1.802 409 2HZ LYS 48 3HZ LYS 48 -17.777 1.519 2.064 410 3HZ LYS 48 2HZ LYS 48 -18.716 0.523 3.071 411 H LYS 49 H LYS 49 -22.925 -2.405 -3.098 412 HA LYS 49 HA LYS 49 -25.544 -2.735 -1.709 413 1HB LYS 49 2HB LYS 49 -24.356 -4.029 -4.178 414 2HB LYS 49 1HB LYS 49 -25.845 -4.600 -3.423 415 1HG LYS 49 2HG LYS 49 -26.634 -2.134 -3.594 416 2HG LYS 49 1HG LYS 49 -25.313 -1.944 -4.748 417 1HD LYS 49 2HD LYS 49 -27.238 -4.233 -5.055 418 2HD LYS 49 1HD LYS 49 -27.692 -2.626 -5.622 419 1HE LYS 49 2HE LYS 49 -26.020 -2.575 -7.244 420 2HE LYS 49 1HE LYS 49 -25.009 -3.736 -6.385 421 1HZ LYS 49 1HZ LYS 49 -27.583 -4.356 -7.733 422 2HZ LYS 49 3HZ LYS 49 -26.041 -4.720 -8.338 423 3HZ LYS 49 2HZ LYS 49 -26.593 -5.472 -6.919 424 H GLY 50 H GLY 50 -23.367 -3.126 -0.049 425 1HA GLY 50 2HA GLY 50 -22.786 -4.728 1.594 426 2HA GLY 50 1HA GLY 50 -23.699 -5.938 0.693 427 H VAL 51 H VAL 51 -20.586 -4.839 1.458 428 HA VAL 51 HA VAL 51 -19.406 -6.498 -0.733 429 HB VAL 51 HB VAL 51 -18.002 -4.246 0.692 430 1HG1 VAL 51 2HG1 VAL 51 -17.459 -5.862 -1.805 431 2HG1 VAL 51 1HG1 VAL 51 -16.584 -4.382 -1.411 432 3HG1 VAL 51 3HG1 VAL 51 -16.476 -5.781 -0.343 433 1HG2 VAL 51 3HG2 VAL 51 -19.623 -4.221 -1.863 434 2HG2 VAL 51 2HG2 VAL 51 -19.830 -3.188 -0.449 435 3HG2 VAL 51 1HG2 VAL 51 -18.419 -2.988 -1.489 436 H GLU 52 H GLU 52 -18.702 -8.379 0.106 437 HA GLU 52 HA GLU 52 -17.559 -8.374 2.873 438 1HB GLU 52 2HB GLU 52 -19.744 -9.746 2.160 439 2HB GLU 52 1HB GLU 52 -18.531 -10.905 1.614 440 1HG GLU 52 2HG GLU 52 -17.454 -10.604 3.938 441 2HG GLU 52 1HG GLU 52 -18.971 -9.834 4.405 442 H LYS 53 H LYS 53 -16.034 -7.760 0.481 443 HA LYS 53 HA LYS 53 -14.047 -9.968 0.641 444 1HB LYS 53 2HB LYS 53 -15.323 -8.888 -1.872 445 2HB LYS 53 1HB LYS 53 -13.708 -9.596 -1.907 446 1HG LYS 53 2HG LYS 53 -14.774 -11.597 -0.656 447 2HG LYS 53 1HG LYS 53 -16.318 -10.918 -1.172 448 1HD LYS 53 2HD LYS 53 -15.437 -10.924 -3.537 449 2HD LYS 53 1HD LYS 53 -14.033 -11.815 -2.947 450 1HE LYS 53 2HE LYS 53 -15.509 -13.603 -2.111 451 2HE LYS 53 1HE LYS 53 -16.918 -12.716 -2.691 452 1HZ LYS 53 2HZ LYS 53 -14.687 -13.713 -4.382 453 2HZ LYS 53 1HZ LYS 53 -16.230 -14.415 -4.264 454 3HZ LYS 53 3HZ LYS 53 -16.053 -12.867 -4.938 455 H TYR 54 H TYR 54 -11.896 -9.238 -0.272 456 HA TYR 54 HA TYR 54 -11.294 -6.543 0.702 457 1HB TYR 54 2HB TYR 54 -9.468 -8.540 -0.674 458 2HB TYR 54 1HB TYR 54 -8.962 -7.120 0.240 459 HD1 TYR 54 HD1 TYR 54 -10.485 -7.080 2.643 460 HD2 TYR 54 HD2 TYR 54 -9.011 -10.499 0.500 461 HE1 TYR 54 HE1 TYR 54 -10.535 -8.411 4.732 462 HE2 TYR 54 HE2 TYR 54 -9.063 -11.830 2.590 463 HH TYR 54 HH TYR 54 -8.978 -10.855 5.393 464 H GLY 55 H GLY 55 -10.695 -8.186 -2.438 465 1HA GLY 55 2HA GLY 55 -11.822 -6.244 -4.118 466 2HA GLY 55 1HA GLY 55 -10.162 -5.718 -3.836 467 HA PRO 56 HA PRO 56 -9.836 -10.134 -5.845 468 1HB PRO 56 2HB PRO 56 -12.353 -10.749 -7.051 469 2HB PRO 56 1HB PRO 56 -11.536 -11.607 -5.738 470 1HG PRO 56 2HG PRO 56 -13.891 -9.943 -5.564 471 2HG PRO 56 1HG PRO 56 -13.080 -10.820 -4.259 472 1HD PRO 56 2HD PRO 56 -13.083 -7.978 -4.740 473 2HD PRO 56 1HD PRO 56 -12.276 -8.864 -3.430 474 H GLU 57 H GLU 57 -12.065 -7.739 -7.248 475 HA GLU 57 HA GLU 57 -11.890 -8.137 -9.963 476 1HB GLU 57 2HB GLU 57 -11.681 -5.527 -10.119 477 2HB GLU 57 1HB GLU 57 -13.116 -6.234 -9.383 478 1HG GLU 57 2HG GLU 57 -11.059 -5.914 -7.377 479 2HG GLU 57 1HG GLU 57 -11.318 -4.385 -8.212 480 H ALA 58 H ALA 58 -9.487 -6.032 -8.320 481 HA ALA 58 HA ALA 58 -7.362 -7.236 -10.005 482 1HB ALA 58 2HB ALA 58 -8.228 -5.236 -11.213 483 2HB ALA 58 1HB ALA 58 -7.821 -4.245 -9.813 484 3HB ALA 58 3HB ALA 58 -6.545 -5.053 -10.724 485 H SER 59 H SER 59 -8.347 -6.272 -6.947 486 HA SER 59 HA SER 59 -5.767 -5.266 -6.008 487 1HB SER 59 2HB SER 59 -7.067 -4.425 -4.380 488 2HB SER 59 1HB SER 59 -8.457 -5.262 -5.052 489 HG SER 59 HG SER 59 -8.155 -6.897 -3.663 490 H ALA 60 H ALA 60 -7.645 -8.291 -5.641 491 HA ALA 60 HA ALA 60 -5.941 -9.664 -3.877 492 1HB ALA 60 1HB ALA 60 -7.511 -10.790 -6.211 493 2HB ALA 60 3HB ALA 60 -6.855 -11.739 -4.876 494 3HB ALA 60 2HB ALA 60 -8.116 -10.544 -4.573 495 H PHE 61 H PHE 61 -5.447 -9.030 -7.307 496 HA PHE 61 HA PHE 61 -3.279 -10.980 -7.564 497 1HB PHE 61 2HB PHE 61 -4.030 -8.706 -9.425 498 2HB PHE 61 1HB PHE 61 -3.027 -10.101 -9.819 499 HD1 PHE 61 HD1 PHE 61 -4.085 -12.444 -9.589 500 HD2 PHE 61 HD2 PHE 61 -6.378 -8.812 -9.672 501 HE1 PHE 61 HE1 PHE 61 -6.113 -13.738 -10.189 502 HE2 PHE 61 HE2 PHE 61 -8.404 -10.108 -10.273 503 HZ PHE 61 HZ PHE 61 -8.272 -12.570 -10.531 504 H THR 62 H THR 62 -3.470 -7.411 -7.499 505 HA THR 62 HA THR 62 -0.564 -7.124 -7.404 506 HB THR 62 HB THR 62 -2.475 -4.907 -6.732 507 HG1 THR 62 HG1 THR 62 -3.403 -5.215 -8.580 508 1HG2 THR 62 1HG2 THR 62 0.220 -5.196 -8.050 509 2HG2 THR 62 3HG2 THR 62 -0.734 -3.725 -8.232 510 3HG2 THR 62 2HG2 THR 62 -0.211 -4.244 -6.630 511 H LYS 63 H LYS 63 -3.156 -7.320 -5.060 512 HA LYS 63 HA LYS 63 -2.005 -6.061 -2.800 513 1HB LYS 63 2HB LYS 63 -4.306 -7.007 -2.829 514 2HB LYS 63 1HB LYS 63 -3.626 -8.633 -2.863 515 1HG LYS 63 2HG LYS 63 -2.375 -7.945 -0.705 516 2HG LYS 63 1HG LYS 63 -3.515 -6.600 -0.635 517 1HD LYS 63 2HD LYS 63 -5.003 -8.974 -1.193 518 2HD LYS 63 1HD LYS 63 -3.934 -9.313 0.169 519 1HE LYS 63 2HE LYS 63 -4.758 -7.319 1.339 520 2HE LYS 63 1HE LYS 63 -5.795 -6.926 -0.033 521 1HZ LYS 63 1HZ LYS 63 -5.961 -9.406 1.595 522 2HZ LYS 63 3HZ LYS 63 -7.008 -8.078 1.717 523 3HZ LYS 63 2HZ LYS 63 -6.971 -8.999 0.290 524 H LYS 64 H LYS 64 -1.294 -9.091 -4.378 525 HA LYS 64 HA LYS 64 0.523 -10.047 -2.313 526 1HB LYS 64 2HB LYS 64 -0.384 -10.953 -5.041 527 2HB LYS 64 1HB LYS 64 1.076 -11.652 -4.343 528 1HG LYS 64 2HG LYS 64 -0.215 -13.031 -3.131 529 2HG LYS 64 1HG LYS 64 -0.831 -11.622 -2.268 530 1HD LYS 64 2HD LYS 64 -2.721 -11.455 -3.605 531 2HD LYS 64 1HD LYS 64 -1.972 -12.311 -4.953 532 1HE LYS 64 2HE LYS 64 -2.877 -14.240 -4.232 533 2HE LYS 64 1HE LYS 64 -2.009 -14.077 -2.706 534 1HZ LYS 64 2HZ LYS 64 -4.634 -12.839 -3.342 535 2HZ LYS 64 1HZ LYS 64 -4.396 -14.204 -2.359 536 3HZ LYS 64 3HZ LYS 64 -3.799 -12.694 -1.868 537 H MET 65 H MET 65 2.389 -10.704 -4.853 538 HA MET 65 HA MET 65 4.402 -9.706 -5.602 539 1HB MET 65 2HB MET 65 2.833 -7.141 -5.825 540 2HB MET 65 1HB MET 65 4.009 -7.812 -6.949 541 1HG MET 65 2HG MET 65 1.139 -8.646 -6.516 542 2HG MET 65 1HG MET 65 1.907 -8.120 -8.011 543 1HE MET 65 1HE MET 65 0.485 -10.000 -8.831 544 2HE MET 65 3HE MET 65 1.945 -10.085 -9.826 545 3HE MET 65 2HE MET 65 1.211 -11.561 -9.204 546 H LEU 66 H LEU 66 3.672 -9.552 -2.733 547 HA LEU 66 HA LEU 66 5.701 -7.729 -1.762 548 1HB LEU 66 2HB LEU 66 3.008 -6.735 -2.076 549 2HB LEU 66 1HB LEU 66 3.363 -6.874 -0.358 550 HG LEU 66 HG LEU 66 5.668 -5.759 -1.622 551 1HD1 LEU 66 3HD1 LEU 66 3.032 -4.757 -2.629 552 2HD1 LEU 66 2HD1 LEU 66 4.279 -3.566 -2.264 553 3HD1 LEU 66 1HD1 LEU 66 4.589 -4.831 -3.452 554 1HD2 LEU 66 3HD2 LEU 66 4.593 -5.486 0.737 555 2HD2 LEU 66 2HD2 LEU 66 5.375 -4.080 0.014 556 3HD2 LEU 66 1HD2 LEU 66 3.618 -4.226 -0.021 557 H GLU 67 H GLU 67 2.724 -9.594 -1.027 558 HA GLU 67 HA GLU 67 3.642 -10.224 1.688 559 1HB GLU 67 2HB GLU 67 1.199 -10.428 0.189 560 2HB GLU 67 1HB GLU 67 1.570 -11.999 0.898 561 1HG GLU 67 2HG GLU 67 1.710 -9.444 2.507 562 2HG GLU 67 1HG GLU 67 0.221 -10.377 2.360 563 H ASN 68 H ASN 68 5.131 -11.213 -0.935 564 HA ASN 68 HA ASN 68 5.806 -13.834 0.205 565 1HB ASN 68 2HB ASN 68 5.321 -15.101 -1.840 566 2HB ASN 68 1HB ASN 68 3.852 -14.354 -1.215 567 1HD2 ASN 68 2HD2 ASN 68 3.621 -11.992 -3.935 568 2HD2 ASN 68 1HD2 ASN 68 3.242 -12.181 -2.292 569 H ALA 69 H ALA 69 6.345 -11.482 -2.431 570 HA ALA 69 HA ALA 69 8.945 -12.632 -3.147 571 1HB ALA 69 2HB ALA 69 7.492 -10.110 -3.945 572 2HB ALA 69 1HB ALA 69 9.107 -10.509 -4.533 573 3HB ALA 69 3HB ALA 69 7.744 -11.565 -4.908 574 H LYS 70 H LYS 70 10.740 -10.778 -3.368 575 HA LYS 70 HA LYS 70 10.975 -9.300 -0.786 576 1HB LYS 70 2HB LYS 70 12.840 -11.405 -1.874 577 2HB LYS 70 1HB LYS 70 13.467 -10.101 -0.863 578 1HG LYS 70 2HG LYS 70 11.869 -10.696 0.915 579 2HG LYS 70 1HG LYS 70 11.220 -11.990 -0.094 580 1HD LYS 70 2HD LYS 70 13.672 -12.844 -0.198 581 2HD LYS 70 1HD LYS 70 13.937 -11.796 1.197 582 1HE LYS 70 2HE LYS 70 11.867 -12.953 2.222 583 2HE LYS 70 1HE LYS 70 12.086 -14.169 0.963 584 1HZ LYS 70 2HZ LYS 70 14.370 -14.479 1.739 585 2HZ LYS 70 1HZ LYS 70 14.104 -13.356 2.985 586 3HZ LYS 70 3HZ LYS 70 13.241 -14.815 2.963 587 H LYS 71 H LYS 71 12.324 -9.950 -4.016 588 HA LYS 71 HA LYS 71 13.684 -7.339 -4.130 589 1HB LYS 71 2HB LYS 71 13.229 -9.590 -6.102 590 2HB LYS 71 1HB LYS 71 13.881 -8.039 -6.631 591 1HG LYS 71 2HG LYS 71 15.892 -8.957 -6.091 592 2HG LYS 71 1HG LYS 71 15.439 -8.539 -4.438 593 1HD LYS 71 2HD LYS 71 14.283 -11.084 -5.338 594 2HD LYS 71 1HD LYS 71 16.047 -11.087 -5.331 595 1HE LYS 71 2HE LYS 71 14.819 -9.838 -2.954 596 2HE LYS 71 1HE LYS 71 14.499 -11.564 -3.122 597 1HZ LYS 71 2HZ LYS 71 17.188 -10.302 -3.228 598 2HZ LYS 71 1HZ LYS 71 16.543 -11.124 -1.888 599 3HZ LYS 71 3HZ LYS 71 16.858 -11.966 -3.326 600 H ILE 72 H ILE 72 12.836 -5.488 -5.241 601 HA ILE 72 HA ILE 72 10.186 -5.796 -6.528 602 HB ILE 72 HB ILE 72 10.749 -3.926 -4.202 603 1HG1 ILE 72 2HG1 ILE 72 8.568 -5.998 -4.353 604 2HG1 ILE 72 1HG1 ILE 72 10.195 -6.458 -3.860 605 1HG2 ILE 72 3HG2 ILE 72 8.357 -4.164 -6.037 606 2HG2 ILE 72 2HG2 ILE 72 8.279 -3.391 -4.455 607 3HG2 ILE 72 1HG2 ILE 72 9.327 -2.728 -5.707 608 1HD1 ILE 72 3HD1 ILE 72 9.382 -4.048 -2.487 609 2HD1 ILE 72 2HD1 ILE 72 8.196 -5.329 -2.238 610 3HD1 ILE 72 1HD1 ILE 72 9.885 -5.596 -1.811 611 H GLU 73 H GLU 73 9.510 -3.653 -7.545 612 HA GLU 73 HA GLU 73 11.787 -1.895 -8.220 613 1HB GLU 73 2HB GLU 73 10.230 -3.600 -10.183 614 2HB GLU 73 1HB GLU 73 10.981 -2.089 -10.694 615 1HG GLU 73 2HG GLU 73 12.919 -3.206 -10.944 616 2HG GLU 73 1HG GLU 73 12.951 -3.445 -9.198 617 H VAL 74 H VAL 74 10.272 -0.683 -6.714 618 HA VAL 74 HA VAL 74 7.607 0.025 -7.345 619 HB VAL 74 HB VAL 74 8.964 2.357 -6.298 620 1HG1 VAL 74 1HG1 VAL 74 6.560 1.465 -6.027 621 2HG1 VAL 74 3HG1 VAL 74 7.238 0.471 -4.737 622 3HG1 VAL 74 2HG1 VAL 74 7.333 2.230 -4.639 623 1HG2 VAL 74 1HG2 VAL 74 9.703 -0.292 -5.079 624 2HG2 VAL 74 3HG2 VAL 74 10.729 1.108 -5.390 625 3HG2 VAL 74 2HG2 VAL 74 9.558 1.149 -4.077 626 H GLU 75 H GLU 75 7.057 0.653 -9.388 627 HA GLU 75 HA GLU 75 8.783 2.562 -10.847 628 1HB GLU 75 2HB GLU 75 6.971 0.501 -11.604 629 2HB GLU 75 1HB GLU 75 6.314 2.017 -12.216 630 1HG GLU 75 2HG GLU 75 7.827 1.976 -13.880 631 2HG GLU 75 1HG GLU 75 9.115 2.089 -12.683 632 H PHE 76 H PHE 76 8.492 4.502 -9.666 633 HA PHE 76 HA PHE 76 5.773 5.674 -9.918 634 1HB PHE 76 2HB PHE 76 5.853 6.622 -7.730 635 2HB PHE 76 1HB PHE 76 6.286 4.928 -7.556 636 HD1 PHE 76 HD2 PHE 76 8.752 4.301 -7.382 637 HD2 PHE 76 HD1 PHE 76 7.324 8.337 -7.025 638 HE1 PHE 76 HE2 PHE 76 10.860 4.947 -6.252 639 HE2 PHE 76 HE1 PHE 76 9.430 8.982 -5.891 640 HZ PHE 76 HZ PHE 76 11.202 7.287 -5.507 641 H ASP 77 H ASP 77 5.749 7.567 -10.897 642 HA ASP 77 HA ASP 77 8.052 8.776 -12.067 643 1HB ASP 77 2HB ASP 77 6.522 10.502 -12.817 644 2HB ASP 77 1HB ASP 77 5.677 8.961 -12.898 645 H LYS 78 H LYS 78 7.727 11.532 -11.632 646 HA LYS 78 HA LYS 78 9.402 12.126 -9.474 647 1HB LYS 78 2HB LYS 78 8.459 13.659 -11.375 648 2HB LYS 78 1HB LYS 78 7.182 14.020 -10.216 649 1HG LYS 78 2HG LYS 78 8.544 15.326 -8.970 650 2HG LYS 78 1HG LYS 78 9.847 14.139 -9.012 651 1HD LYS 78 2HD LYS 78 10.643 16.113 -10.145 652 2HD LYS 78 1HD LYS 78 10.337 14.891 -11.377 653 1HE LYS 78 2HE LYS 78 7.939 16.441 -10.845 654 2HE LYS 78 1HE LYS 78 9.280 17.491 -11.300 655 1HZ LYS 78 1HZ LYS 78 9.670 16.008 -13.220 656 2HZ LYS 78 3HZ LYS 78 8.266 15.147 -12.813 657 3HZ LYS 78 2HZ LYS 78 8.157 16.780 -13.267 658 H GLY 79 H GLY 79 9.059 12.699 -7.294 659 1HA GLY 79 2HA GLY 79 7.261 11.339 -5.714 660 2HA GLY 79 1HA GLY 79 7.949 12.887 -5.229 661 H GLN 80 H GLN 80 5.120 11.262 -6.291 662 HA GLN 80 HA GLN 80 3.626 13.664 -6.995 663 1HB GLN 80 2HB GLN 80 1.835 12.230 -7.506 664 2HB GLN 80 1HB GLN 80 3.238 11.228 -7.851 665 1HG GLN 80 2HG GLN 80 1.884 11.157 -5.147 666 2HG GLN 80 1HG GLN 80 1.318 10.168 -6.486 667 1HE2 GLN 80 2HE2 GLN 80 4.065 7.906 -6.332 668 2HE2 GLN 80 1HE2 GLN 80 2.754 8.440 -7.271 669 H ARG 81 H ARG 81 3.872 11.481 -4.218 670 HA ARG 81 HA ARG 81 2.701 11.562 -2.145 671 1HB ARG 81 2HB ARG 81 3.799 13.342 -0.799 672 2HB ARG 81 1HB ARG 81 4.934 12.452 -1.808 673 1HG ARG 81 2HG ARG 81 5.616 14.411 -2.674 674 2HG ARG 81 1HG ARG 81 4.026 14.593 -3.406 675 1HD ARG 81 2HD ARG 81 3.701 15.295 -0.692 676 2HD ARG 81 1HD ARG 81 5.193 16.075 -1.217 677 HE ARG 81 HE ARG 81 3.414 16.635 -3.263 678 1HH1 ARG 81 2HH1 ARG 81 1.279 16.455 -1.150 679 2HH1 ARG 81 1HH1 ARG 81 1.213 18.084 -0.568 680 1HH2 ARG 81 1HH2 ARG 81 4.272 18.983 -1.951 681 2HH2 ARG 81 2HH2 ARG 81 2.912 19.519 -1.022 682 H THR 82 H THR 82 0.717 12.249 -3.830 683 HA THR 82 HA THR 82 -0.830 14.207 -2.260 684 HB THR 82 HB THR 82 0.233 14.750 -4.931 685 HG1 THR 82 HG1 THR 82 1.041 16.161 -3.609 686 1HG2 THR 82 2HG2 THR 82 -2.544 15.498 -4.053 687 2HG2 THR 82 1HG2 THR 82 -1.670 16.436 -5.262 688 3HG2 THR 82 3HG2 THR 82 -2.057 14.744 -5.570 689 H ASP 83 H ASP 83 -2.853 13.509 -2.156 690 HA ASP 83 HA ASP 83 -4.756 12.747 -3.906 691 1HB ASP 83 2HB ASP 83 -3.465 11.097 -5.057 692 2HB ASP 83 1HB ASP 83 -2.853 10.411 -3.555 693 H LYS 84 H LYS 84 -3.593 10.272 -1.629 694 HA LYS 84 HA LYS 84 -5.870 10.941 0.168 695 1HB LYS 84 2HB LYS 84 -5.339 8.520 -0.833 696 2HB LYS 84 1HB LYS 84 -4.198 8.469 0.509 697 1HG LYS 84 2HG LYS 84 -6.927 9.448 1.159 698 2HG LYS 84 1HG LYS 84 -6.794 7.736 0.756 699 1HD LYS 84 2HD LYS 84 -6.168 7.432 2.909 700 2HD LYS 84 1HD LYS 84 -4.627 8.147 2.436 701 1HE LYS 84 2HE LYS 84 -5.695 10.422 2.915 702 2HE LYS 84 1HE LYS 84 -7.006 9.531 3.688 703 1HZ LYS 84 2HZ LYS 84 -4.146 9.206 4.408 704 2HZ LYS 84 1HZ LYS 84 -5.208 10.253 5.220 705 3HZ LYS 84 3HZ LYS 84 -5.493 8.582 5.233 706 H TYR 85 H TYR 85 -4.696 12.769 1.031 707 HA TYR 85 HA TYR 85 -3.367 13.800 2.662 708 1HB TYR 85 2HB TYR 85 -3.496 12.447 4.486 709 2HB TYR 85 1HB TYR 85 -3.493 10.995 3.502 710 HD1 TYR 85 HD1 TYR 85 -1.382 9.845 2.956 711 HD2 TYR 85 HD2 TYR 85 -1.443 13.365 5.419 712 HE1 TYR 85 HE1 TYR 85 0.935 9.368 3.694 713 HE2 TYR 85 HE2 TYR 85 0.875 12.888 6.155 714 HH TYR 85 HH TYR 85 2.301 10.271 6.162 715 H GLY 86 H GLY 86 -2.536 12.589 -0.099 716 1HA GLY 86 2HA GLY 86 -0.705 12.897 -1.496 717 2HA GLY 86 1HA GLY 86 0.173 13.650 -0.165 718 H ARG 87 H ARG 87 -1.205 10.477 -0.988 719 HA ARG 87 HA ARG 87 0.952 9.076 0.422 720 1HB ARG 87 2HB ARG 87 -1.692 8.523 -0.036 721 2HB ARG 87 1HB ARG 87 -0.902 7.520 -1.253 722 1HG ARG 87 2HG ARG 87 0.421 6.398 0.407 723 2HG ARG 87 1HG ARG 87 -0.057 7.551 1.653 724 1HD ARG 87 2HD ARG 87 -1.381 5.557 1.969 725 2HD ARG 87 1HD ARG 87 -2.440 6.804 1.320 726 HE ARG 87 HE ARG 87 -1.472 5.427 -0.923 727 1HH1 ARG 87 1HH2 ARG 87 -4.292 5.499 0.567 728 2HH1 ARG 87 2HH2 ARG 87 -4.651 3.806 0.524 729 1HH2 ARG 87 2HH1 ARG 87 -1.429 2.879 -0.365 730 2HH2 ARG 87 1HH1 ARG 87 -3.024 2.323 -0.011 731 H VAL 88 H VAL 88 1.927 7.143 -0.797 732 HA VAL 88 HA VAL 88 3.247 8.200 -3.187 733 HB VAL 88 HB VAL 88 3.558 5.463 -1.939 734 1HG1 VAL 88 3HG1 VAL 88 5.390 7.201 -3.628 735 2HG1 VAL 88 2HG1 VAL 88 5.822 5.630 -2.953 736 3HG1 VAL 88 1HG1 VAL 88 4.554 5.748 -4.174 737 1HG2 VAL 88 2HG2 VAL 88 4.840 8.118 -1.230 738 2HG2 VAL 88 1HG2 VAL 88 3.959 7.027 -0.160 739 3HG2 VAL 88 3HG2 VAL 88 5.546 6.567 -0.775 740 H LEU 89 H LEU 89 1.372 8.233 -4.613 741 HA LEU 89 HA LEU 89 -0.083 5.814 -5.270 742 1HB LEU 89 2HB LEU 89 0.267 8.153 -7.150 743 2HB LEU 89 1HB LEU 89 -1.101 7.054 -7.023 744 HG LEU 89 HG LEU 89 -0.305 9.275 -5.138 745 1HD1 LEU 89 3HD1 LEU 89 -2.117 9.010 -7.271 746 2HD1 LEU 89 2HD1 LEU 89 -3.104 8.955 -5.810 747 3HD1 LEU 89 1HD1 LEU 89 -2.040 10.330 -6.104 748 1HD2 LEU 89 1HD2 LEU 89 -0.967 6.927 -4.069 749 2HD2 LEU 89 3HD2 LEU 89 -1.641 8.424 -3.430 750 3HD2 LEU 89 2HD2 LEU 89 -2.593 7.428 -4.529 751 H ALA 90 H ALA 90 1.522 4.206 -5.703 752 HA ALA 90 HA ALA 90 2.613 4.346 -8.433 753 1HB ALA 90 1HB ALA 90 4.366 5.412 -7.074 754 2HB ALA 90 3HB ALA 90 4.422 3.991 -6.032 755 3HB ALA 90 2HB ALA 90 4.914 3.865 -7.720 756 H TYR 91 H TYR 91 3.246 2.325 -9.243 757 HA TYR 91 HA TYR 91 1.889 0.031 -8.041 758 1HB TYR 91 2HB TYR 91 3.684 0.183 -10.475 759 2HB TYR 91 1HB TYR 91 2.672 -1.189 -10.027 760 HD1 TYR 91 HD1 TYR 91 0.187 -0.967 -10.022 761 HD2 TYR 91 HD2 TYR 91 2.758 2.140 -11.498 762 HE1 TYR 91 HE1 TYR 91 -1.749 0.090 -11.155 763 HE2 TYR 91 HE2 TYR 91 0.829 3.196 -12.631 764 HH TYR 91 HH TYR 91 -1.796 3.162 -12.220 765 H ILE 92 H ILE 92 3.072 -2.067 -7.761 766 HA ILE 92 HA ILE 92 5.922 -1.743 -6.932 767 HB ILE 92 HB ILE 92 4.070 -3.327 -5.168 768 1HG1 ILE 92 2HG1 ILE 92 3.036 -1.029 -5.484 769 2HG1 ILE 92 1HG1 ILE 92 3.488 -1.415 -3.825 770 1HG2 ILE 92 3HG2 ILE 92 6.714 -1.924 -4.948 771 2HG2 ILE 92 2HG2 ILE 92 5.777 -2.260 -3.492 772 3HG2 ILE 92 1HG2 ILE 92 6.293 -3.586 -4.533 773 1HD1 ILE 92 2HD1 ILE 92 5.644 -0.161 -5.380 774 2HD1 ILE 92 1HD1 ILE 92 4.233 0.871 -5.157 775 3HD1 ILE 92 3HD1 ILE 92 5.070 0.206 -3.756 776 H TYR 93 H TYR 93 6.712 -3.174 -8.514 777 HA TYR 93 HA TYR 93 5.399 -5.855 -8.683 778 1HB TYR 93 2HB TYR 93 7.594 -5.192 -10.569 779 2HB TYR 93 1HB TYR 93 6.079 -6.040 -10.857 780 HD1 TYR 93 HD2 TYR 93 3.905 -4.486 -10.458 781 HD2 TYR 93 HD1 TYR 93 7.827 -3.133 -11.526 782 HE1 TYR 93 HE2 TYR 93 2.942 -2.400 -11.368 783 HE2 TYR 93 HE1 TYR 93 6.871 -1.049 -12.434 784 HH TYR 93 HH TYR 93 3.748 -0.651 -13.226 785 H ALA 94 H ALA 94 6.343 -7.427 -7.556 786 HA ALA 94 HA ALA 94 8.989 -7.092 -6.452 787 1HB ALA 94 3HB ALA 94 6.723 -8.486 -5.690 788 2HB ALA 94 2HB ALA 94 7.811 -9.763 -6.233 789 3HB ALA 94 1HB ALA 94 8.319 -8.654 -4.959 790 H ASP 95 H ASP 95 10.773 -7.654 -7.477 791 HA ASP 95 HA ASP 95 12.260 -8.594 -9.032 792 1HB ASP 95 2HB ASP 95 11.126 -10.653 -7.672 793 2HB ASP 95 1HB ASP 95 10.633 -11.066 -9.314 794 H GLY 96 H GLY 96 9.961 -7.045 -10.040 795 1HA GLY 96 2HA GLY 96 9.624 -6.436 -12.376 796 2HA GLY 96 1HA GLY 96 9.876 -8.128 -12.817 797 H LYS 97 H LYS 97 8.249 -9.340 -10.902 798 HA LYS 97 HA LYS 97 6.114 -10.141 -10.692 799 1HB LYS 97 2HB LYS 97 6.243 -7.686 -9.540 800 2HB LYS 97 1HB LYS 97 4.892 -7.457 -10.645 801 1HG LYS 97 2HG LYS 97 3.938 -8.307 -8.637 802 2HG LYS 97 1HG LYS 97 3.966 -9.662 -9.764 803 1HD LYS 97 2HD LYS 97 6.443 -9.418 -8.215 804 2HD LYS 97 1HD LYS 97 5.029 -9.684 -7.204 805 1HE LYS 97 2HE LYS 97 4.768 -11.815 -7.929 806 2HE LYS 97 1HE LYS 97 5.074 -11.372 -9.607 807 1HZ LYS 97 3HZ LYS 97 7.442 -11.288 -9.109 808 2HZ LYS 97 2HZ LYS 97 7.136 -11.740 -7.500 809 3HZ LYS 97 1HZ LYS 97 6.803 -12.821 -8.768 810 H MET 98 H MET 98 4.828 -7.248 -12.317 811 HA MET 98 HA MET 98 4.676 -8.264 -14.960 812 1HB MET 98 2HB MET 98 2.439 -9.288 -14.928 813 2HB MET 98 1HB MET 98 3.531 -10.155 -13.851 814 1HG MET 98 2HG MET 98 2.679 -8.797 -11.938 815 2HG MET 98 1HG MET 98 1.514 -8.041 -13.025 816 1HE MET 98 2HE MET 98 -0.745 -8.643 -12.541 817 2HE MET 98 1HE MET 98 -1.229 -10.070 -11.630 818 3HE MET 98 3HE MET 98 -0.068 -8.928 -10.939 819 H VAL 99 H VAL 99 2.850 -6.594 -12.387 820 HA VAL 99 HA VAL 99 0.988 -5.173 -13.907 821 HB VAL 99 HB VAL 99 2.473 -4.231 -11.432 822 1HG1 VAL 99 2HG1 VAL 99 -0.068 -3.245 -12.747 823 2HG1 VAL 99 1HG1 VAL 99 0.450 -2.796 -11.121 824 3HG1 VAL 99 3HG1 VAL 99 1.424 -2.333 -12.516 825 1HG2 VAL 99 2HG2 VAL 99 -0.100 -5.759 -11.891 826 2HG2 VAL 99 1HG2 VAL 99 1.317 -6.289 -10.985 827 3HG2 VAL 99 3HG2 VAL 99 0.301 -4.993 -10.354 828 H ASN 100 H ASN 100 4.447 -4.578 -13.660 829 HA ASN 100 HA ASN 100 4.565 -1.911 -14.633 830 1HB ASN 100 2HB ASN 100 6.841 -2.455 -15.392 831 2HB ASN 100 1HB ASN 100 6.550 -3.152 -13.804 832 1HD2 ASN 100 2HD2 ASN 100 7.473 -5.587 -16.879 833 2HD2 ASN 100 1HD2 ASN 100 7.524 -3.896 -17.014 834 H GLU 101 H GLU 101 4.363 -4.996 -16.414 835 HA GLU 101 HA GLU 101 4.351 -3.673 -19.022 836 1HB GLU 101 2HB GLU 101 5.249 -6.011 -18.561 837 2HB GLU 101 1HB GLU 101 3.572 -6.532 -18.406 838 1HG GLU 101 2HG GLU 101 3.946 -4.937 -20.807 839 2HG GLU 101 1HG GLU 101 5.044 -6.316 -20.788 840 H ALA 102 H ALA 102 1.959 -4.958 -16.755 841 HA ALA 102 HA ALA 102 -0.330 -5.172 -18.338 842 1HB ALA 102 2HB ALA 102 -0.210 -5.651 -15.884 843 2HB ALA 102 1HB ALA 102 -0.237 -3.913 -15.581 844 3HB ALA 102 3HB ALA 102 -1.625 -4.699 -16.333 845 H LEU 103 HN LEU 103 -1.356 -3.767 -19.646 846 HA LEU 103 HA LEU 103 -0.681 -0.902 -19.561 847 1HB LEU 103 2HB LEU 103 -2.499 -2.479 -21.414 848 2HB LEU 103 1HB LEU 103 -2.077 -0.779 -21.618 849 HG LEU 103 HG LEU 103 0.396 -1.979 -21.303 850 1HD1 LEU 103 2HD1 LEU 103 -1.466 -3.814 -22.833 851 2HD1 LEU 103 1HD1 LEU 103 0.287 -3.845 -23.035 852 3HD1 LEU 103 3HD1 LEU 103 -0.427 -4.226 -21.468 853 1HD2 LEU 103 1HD2 LEU 103 -1.158 -1.383 -23.843 854 2HD2 LEU 103 3HD2 LEU 103 -0.154 -0.248 -22.941 855 3HD2 LEU 103 2HD2 LEU 103 0.589 -1.616 -23.767 No H/Q in entry = 855 Start of MODEL 6 Raw file had 866 H/Q atoms Start of MODEL 6 1 1H ALA 1 3H ALA 1 5.634 20.935 -17.275 2 2H ALA 1 2H ALA 1 6.023 21.488 -18.834 3 3H ALA 1 1H ALA 1 5.109 20.070 -18.637 4 HA ALA 1 HA ALA 1 7.370 19.506 -19.218 5 1HB ALA 1 2HB ALA 1 8.052 21.052 -16.697 6 2HB ALA 1 1HB ALA 1 9.195 20.114 -17.658 7 3HB ALA 1 3HB ALA 1 8.433 21.549 -18.345 8 H THR 2 H THR 2 7.373 17.359 -18.788 9 HA THR 2 HA THR 2 7.223 16.414 -15.992 10 HB THR 2 HB THR 2 4.857 16.547 -16.773 11 HG1 THR 2 HG1 THR 2 4.970 14.960 -15.379 12 1HG2 THR 2 2HG2 THR 2 5.660 15.970 -19.216 13 2HG2 THR 2 1HG2 THR 2 5.412 14.306 -18.688 14 3HG2 THR 2 3HG2 THR 2 4.068 15.448 -18.664 15 H SER 3 H SER 3 9.403 16.384 -17.784 16 HA SER 3 HA SER 3 9.565 13.585 -18.762 17 1HB SER 3 2HB SER 3 11.280 16.032 -19.238 18 2HB SER 3 1HB SER 3 11.754 14.422 -19.772 19 HG SER 3 HG SER 3 9.667 16.075 -20.638 20 H THR 4 H THR 4 9.537 13.897 -15.960 21 HA THR 4 HA THR 4 12.266 12.921 -15.285 22 HB THR 4 HB THR 4 12.153 14.223 -13.127 23 HG1 THR 4 HG1 THR 4 10.131 15.679 -14.477 24 1HG2 THR 4 1HG2 THR 4 13.453 14.957 -15.157 25 2HG2 THR 4 3HG2 THR 4 12.082 15.977 -15.594 26 3HG2 THR 4 2HG2 THR 4 12.963 16.276 -14.096 27 H LYS 5 H LYS 5 8.935 13.403 -14.058 28 HA LYS 5 HA LYS 5 9.204 10.921 -12.436 29 1HB LYS 5 2HB LYS 5 6.792 12.739 -12.483 30 2HB LYS 5 1HB LYS 5 7.324 11.663 -11.196 31 1HG LYS 5 2HG LYS 5 8.880 14.104 -12.099 32 2HG LYS 5 1HG LYS 5 7.759 14.102 -10.739 33 1HD LYS 5 2HD LYS 5 9.089 12.305 -9.663 34 2HD LYS 5 1HD LYS 5 10.231 12.365 -11.006 35 1HE LYS 5 2HE LYS 5 11.324 13.866 -9.677 36 2HE LYS 5 1HE LYS 5 10.138 14.999 -10.321 37 1HZ LYS 5 1HZ LYS 5 9.764 13.413 -7.838 38 2HZ LYS 5 3HZ LYS 5 10.291 15.025 -7.874 39 3HZ LYS 5 2HZ LYS 5 8.737 14.629 -8.433 40 H LYS 6 H LYS 6 8.563 9.054 -13.457 41 HA LYS 6 HA LYS 6 6.053 9.133 -14.997 42 1HB LYS 6 2HB LYS 6 7.021 7.897 -16.920 43 2HB LYS 6 1HB LYS 6 7.688 9.513 -16.744 44 1HG LYS 6 2HG LYS 6 9.058 7.029 -15.676 45 2HG LYS 6 1HG LYS 6 9.379 7.703 -17.264 46 1HD LYS 6 2HD LYS 6 9.586 9.917 -15.613 47 2HD LYS 6 1HD LYS 6 10.294 8.629 -14.639 48 1HE LYS 6 2HE LYS 6 12.115 8.478 -15.975 49 2HE LYS 6 1HE LYS 6 11.139 8.519 -17.443 50 1HZ LYS 6 1HZ LYS 6 10.877 10.969 -16.992 51 2HZ LYS 6 3HZ LYS 6 12.107 10.808 -15.835 52 3HZ LYS 6 2HZ LYS 6 12.428 10.462 -17.466 53 H LEU 7 H LEU 7 8.687 6.840 -14.056 54 HA LEU 7 HA LEU 7 7.203 5.249 -12.329 55 1HB LEU 7 2HB LEU 7 6.036 4.971 -14.827 56 2HB LEU 7 1HB LEU 7 7.124 3.589 -14.763 57 HG LEU 7 HG LEU 7 6.156 3.210 -12.385 58 1HD1 LEU 7 1HD1 LEU 7 4.023 4.982 -13.611 59 2HD1 LEU 7 3HD1 LEU 7 3.807 4.009 -12.156 60 3HD1 LEU 7 2HD1 LEU 7 4.971 5.334 -12.166 61 1HD2 LEU 7 1HD2 LEU 7 5.728 1.736 -14.325 62 2HD2 LEU 7 3HD2 LEU 7 4.290 1.895 -13.317 63 3HD2 LEU 7 2HD2 LEU 7 4.410 2.793 -14.831 64 H HIS 8 H HIS 8 9.708 5.731 -12.022 65 HA HIS 8 HA HIS 8 11.464 3.753 -13.307 66 1HB HIS 8 2HB HIS 8 11.819 6.190 -11.706 67 2HB HIS 8 1HB HIS 8 12.925 4.895 -11.251 68 HD1 HIS 8 HD1 HIS 8 14.940 4.628 -12.705 69 HD2 HIS 8 HD2 HIS 8 11.890 6.688 -14.663 70 HE1 HIS 8 HE1 HIS 8 15.886 5.356 -14.939 71 H LYS 9 H LYS 9 12.293 1.949 -12.267 72 HA LYS 9 HA LYS 9 10.817 1.055 -9.868 73 1HB LYS 9 2HB LYS 9 12.454 -1.054 -10.573 74 2HB LYS 9 1HB LYS 9 10.788 -0.836 -11.094 75 1HG LYS 9 2HG LYS 9 11.447 0.118 -13.169 76 2HG LYS 9 1HG LYS 9 13.100 0.381 -12.612 77 1HD LYS 9 2HD LYS 9 13.185 -1.545 -14.031 78 2HD LYS 9 1HD LYS 9 13.297 -2.151 -12.380 79 1HE LYS 9 2HE LYS 9 11.695 -3.560 -13.405 80 2HE LYS 9 1HE LYS 9 10.730 -2.403 -12.492 81 1HZ LYS 9 2HZ LYS 9 11.380 -2.206 -15.385 82 2HZ LYS 9 1HZ LYS 9 9.886 -2.694 -14.739 83 3HZ LYS 9 3HZ LYS 9 10.432 -1.106 -14.504 84 H GLU 10 H GLU 10 11.863 0.190 -7.975 85 HA GLU 10 HA GLU 10 14.747 0.368 -7.626 86 1HB GLU 10 2HB GLU 10 13.751 2.797 -7.407 87 2HB GLU 10 1HB GLU 10 13.154 2.216 -5.853 88 1HG GLU 10 2HG GLU 10 16.038 1.802 -6.610 89 2HG GLU 10 1HG GLU 10 15.511 3.354 -5.963 90 HA PRO 11 HA PRO 11 13.247 -3.022 -5.177 91 1HB PRO 11 2HB PRO 11 15.746 -2.784 -3.663 92 2HB PRO 11 1HB PRO 11 15.150 -4.124 -4.655 93 1HG PRO 11 2HG PRO 11 17.180 -2.291 -5.375 94 2HG PRO 11 1HG PRO 11 16.385 -3.454 -6.444 95 1HD PRO 11 2HD PRO 11 16.134 -0.569 -6.455 96 2HD PRO 11 1HD PRO 11 15.374 -1.739 -7.554 97 H ALA 12 H ALA 12 12.141 -3.144 -3.310 98 HA ALA 12 HA ALA 12 12.463 -0.985 -1.262 99 1HB ALA 12 2HB ALA 12 10.397 -0.941 -2.863 100 2HB ALA 12 1HB ALA 12 9.811 -2.257 -1.851 101 3HB ALA 12 3HB ALA 12 10.151 -0.682 -1.138 102 H THR 13 H THR 13 10.401 -2.155 0.450 103 HA THR 13 HA THR 13 11.397 -4.882 1.047 104 HB THR 13 HB THR 13 12.828 -3.591 2.478 105 HG1 THR 13 HG1 THR 13 10.619 -4.199 4.132 106 1HG2 THR 13 2HG2 THR 13 10.352 -2.045 3.291 107 2HG2 THR 13 1HG2 THR 13 11.960 -1.833 3.982 108 3HG2 THR 13 3HG2 THR 13 11.669 -1.438 2.288 109 H LEU 14 H LEU 14 9.555 -6.052 1.061 110 HA LEU 14 HA LEU 14 6.952 -4.966 1.169 111 1HB LEU 14 2HB LEU 14 6.136 -7.222 1.335 112 2HB LEU 14 1HB LEU 14 7.558 -7.244 0.296 113 HG LEU 14 HG LEU 14 8.669 -7.636 2.785 114 1HD1 LEU 14 2HD1 LEU 14 6.117 -7.891 3.459 115 2HD1 LEU 14 1HD1 LEU 14 6.319 -9.502 2.771 116 3HD1 LEU 14 3HD1 LEU 14 7.328 -8.986 4.123 117 1HD2 LEU 14 2HD2 LEU 14 7.703 -9.592 0.691 118 2HD2 LEU 14 1HD2 LEU 14 9.325 -8.926 0.885 119 3HD2 LEU 14 3HD2 LEU 14 8.701 -10.083 2.060 120 H ILE 15 H ILE 15 5.941 -4.003 2.815 121 HA ILE 15 HA ILE 15 6.568 -4.962 5.575 122 HB ILE 15 HB ILE 15 5.158 -2.351 5.159 123 1HG1 ILE 15 2HG1 ILE 15 8.173 -2.527 4.993 124 2HG1 ILE 15 1HG1 ILE 15 7.161 -2.458 3.551 125 1HG2 ILE 15 1HG2 ILE 15 5.601 -3.309 7.411 126 2HG2 ILE 15 3HG2 ILE 15 7.331 -3.253 7.069 127 3HG2 ILE 15 2HG2 ILE 15 6.404 -1.756 7.173 128 1HD1 ILE 15 3HD1 ILE 15 6.067 -0.389 4.671 129 2HD1 ILE 15 2HD1 ILE 15 7.492 -0.380 5.708 130 3HD1 ILE 15 1HD1 ILE 15 7.671 -0.194 3.965 131 H LYS 16 H LYS 16 4.699 -6.267 3.809 132 HA LYS 16 HA LYS 16 2.638 -7.348 4.086 133 1HB LYS 16 2HB LYS 16 3.067 -6.282 6.618 134 2HB LYS 16 1HB LYS 16 1.488 -5.643 6.161 135 1HG LYS 16 2HG LYS 16 2.040 -8.536 5.625 136 2HG LYS 16 1HG LYS 16 1.727 -8.047 7.290 137 1HD LYS 16 2HD LYS 16 -0.477 -8.005 6.845 138 2HD LYS 16 1HD LYS 16 -0.197 -6.726 5.664 139 1HE LYS 16 2HE LYS 16 -1.213 -8.417 4.382 140 2HE LYS 16 1HE LYS 16 0.505 -8.656 4.069 141 1HZ LYS 16 3HZ LYS 16 -0.977 -10.095 6.197 142 2HZ LYS 16 2HZ LYS 16 -0.765 -10.712 4.629 143 3HZ LYS 16 1HZ LYS 16 0.584 -10.425 5.620 144 H ALA 17 H ALA 17 0.858 -7.038 2.852 145 HA ALA 17 HA ALA 17 0.250 -4.281 1.932 146 1HB ALA 17 3HB ALA 17 -0.681 -7.003 0.959 147 2HB ALA 17 2HB ALA 17 -1.173 -5.468 0.243 148 3HB ALA 17 1HB ALA 17 0.518 -5.965 0.187 149 H ILE 18 H ILE 18 -1.385 -3.187 2.752 150 HA ILE 18 HA ILE 18 -3.133 -4.239 4.786 151 HB ILE 18 HB ILE 18 -3.009 -1.682 3.190 152 1HG1 ILE 18 2HG1 ILE 18 -2.843 -1.181 5.936 153 2HG1 ILE 18 1HG1 ILE 18 -1.952 -2.688 5.719 154 1HG2 ILE 18 1HG2 ILE 18 -5.279 -2.743 4.683 155 2HG2 ILE 18 3HG2 ILE 18 -4.695 -1.238 5.394 156 3HG2 ILE 18 2HG2 ILE 18 -5.177 -1.283 3.699 157 1HD1 ILE 18 2HD1 ILE 18 -0.656 -1.616 3.876 158 2HD1 ILE 18 1HD1 ILE 18 -1.497 -0.100 4.205 159 3HD1 ILE 18 3HD1 ILE 18 -0.431 -0.799 5.423 160 H ASP 19 H ASP 19 -3.902 -2.978 1.509 161 HA ASP 19 HA ASP 19 -6.107 -4.990 1.349 162 1HB ASP 19 2HB ASP 19 -6.187 -2.053 0.580 163 2HB ASP 19 1HB ASP 19 -7.410 -3.218 0.083 164 H GLY 20 H GLY 20 -6.824 -4.084 -1.356 165 1HA GLY 20 2HA GLY 20 -5.066 -5.675 -2.914 166 2HA GLY 20 1HA GLY 20 -6.209 -4.506 -3.577 167 H ASP 21 H ASP 21 -5.480 -2.253 -3.787 168 HA ASP 21 HA ASP 21 -2.686 -2.086 -4.612 169 1HB ASP 21 2HB ASP 21 -4.931 -0.066 -4.503 170 2HB ASP 21 1HB ASP 21 -3.298 0.362 -5.008 171 H THR 22 H THR 22 -4.402 -1.386 -1.655 172 HA THR 22 HA THR 22 -2.549 0.645 -0.710 173 HB THR 22 HB THR 22 -4.460 -1.151 0.814 174 HG1 THR 22 HG1 THR 22 -5.764 0.122 -0.260 175 1HG2 THR 22 1HG2 THR 22 -2.987 1.352 1.661 176 2HG2 THR 22 3HG2 THR 22 -4.228 0.541 2.613 177 3HG2 THR 22 2HG2 THR 22 -2.703 -0.275 2.271 178 H VAL 23 H VAL 23 -0.394 -0.013 -0.452 179 HA VAL 23 HA VAL 23 0.091 -2.503 1.105 180 HB VAL 23 HB VAL 23 2.014 -3.014 -0.437 181 1HG1 VAL 23 2HG1 VAL 23 -0.590 -3.754 -0.597 182 2HG1 VAL 23 1HG1 VAL 23 -0.383 -3.021 -2.187 183 3HG1 VAL 23 3HG1 VAL 23 0.653 -4.359 -1.691 184 1HG2 VAL 23 1HG2 VAL 23 0.708 -0.762 -1.985 185 2HG2 VAL 23 3HG2 VAL 23 2.400 -0.913 -1.512 186 3HG2 VAL 23 2HG2 VAL 23 1.736 -1.965 -2.761 187 H LYS 24 H LYS 24 1.709 -2.390 2.592 188 HA LYS 24 HA LYS 24 2.987 0.236 3.009 189 1HB LYS 24 2HB LYS 24 1.971 -1.392 4.813 190 2HB LYS 24 1HB LYS 24 3.534 -2.193 4.688 191 1HG LYS 24 2HG LYS 24 4.463 -0.614 5.993 192 2HG LYS 24 1HG LYS 24 3.987 0.631 4.838 193 1HD LYS 24 2HD LYS 24 1.762 0.768 5.885 194 2HD LYS 24 1HD LYS 24 2.217 -0.492 7.031 195 1HE LYS 24 2HE LYS 24 2.533 1.600 8.162 196 2HE LYS 24 1HE LYS 24 4.141 1.009 7.745 197 1HZ LYS 24 3HZ LYS 24 2.635 2.863 5.994 198 2HZ LYS 24 2HZ LYS 24 3.658 3.415 7.233 199 3HZ LYS 24 1HZ LYS 24 4.290 2.493 5.955 200 H LEU 25 H LEU 25 4.946 0.668 2.115 201 HA LEU 25 HA LEU 25 6.993 -1.464 1.934 202 1HB LEU 25 2HB LEU 25 5.502 -0.355 -0.356 203 2HB LEU 25 1HB LEU 25 7.253 -0.333 -0.551 204 HG LEU 25 HG LEU 25 5.931 -2.826 0.471 205 1HD1 LEU 25 1HD1 LEU 25 6.062 -1.901 -2.412 206 2HD1 LEU 25 3HD1 LEU 25 5.746 -3.566 -1.925 207 3HD1 LEU 25 2HD1 LEU 25 4.609 -2.289 -1.490 208 1HD2 LEU 25 3HD2 LEU 25 8.514 -2.170 0.085 209 2HD2 LEU 25 2HD2 LEU 25 7.916 -3.811 -0.148 210 3HD2 LEU 25 1HD2 LEU 25 8.132 -2.748 -1.536 211 H MET 26 H MET 26 9.124 -0.642 1.754 212 HA MET 26 HA MET 26 9.363 2.321 2.143 213 1HB MET 26 2HB MET 26 11.568 0.422 2.899 214 2HB MET 26 1HB MET 26 11.168 1.992 3.588 215 1HG MET 26 2HG MET 26 9.167 1.030 4.651 216 2HG MET 26 1HG MET 26 9.539 -0.541 3.943 217 1HE MET 26 3HE MET 26 9.055 0.130 7.011 218 2HE MET 26 2HE MET 26 9.341 -1.501 6.410 219 3HE MET 26 1HE MET 26 10.271 -0.899 7.779 220 H TYR 27 H TYR 27 10.105 3.268 0.278 221 HA TYR 27 HA TYR 27 11.622 1.621 -1.644 222 1HB TYR 27 2HB TYR 27 11.441 3.577 -3.163 223 2HB TYR 27 1HB TYR 27 9.873 3.045 -2.570 224 HD1 TYR 27 HD2 TYR 27 12.456 5.678 -2.358 225 HD2 TYR 27 HD1 TYR 27 8.573 4.410 -1.028 226 HE1 TYR 27 HE2 TYR 27 12.006 7.958 -1.506 227 HE2 TYR 27 HE1 TYR 27 8.121 6.696 -0.181 228 HH TYR 27 HH TYR 27 9.212 9.191 -0.955 229 H LYS 28 H LYS 28 12.952 2.118 0.796 230 HA LYS 28 HA LYS 28 15.008 2.812 1.634 231 1HB LYS 28 2HB LYS 28 15.441 2.593 -1.322 232 2HB LYS 28 1HB LYS 28 16.709 3.342 -0.355 233 1HG LYS 28 2HG LYS 28 17.376 1.146 -0.173 234 2HG LYS 28 1HG LYS 28 16.265 1.208 1.194 235 1HD LYS 28 2HD LYS 28 14.846 0.650 -1.281 236 2HD LYS 28 1HD LYS 28 16.118 -0.537 -0.996 237 1HE LYS 28 2HE LYS 28 14.876 -0.097 1.509 238 2HE LYS 28 1HE LYS 28 13.573 -0.267 0.334 239 1HZ LYS 28 1HZ LYS 28 14.680 -2.304 -0.468 240 2HZ LYS 28 3HZ LYS 28 15.813 -2.161 0.787 241 3HZ LYS 28 2HZ LYS 28 14.173 -2.416 1.149 242 H GLY 29 H GLY 29 13.365 4.724 2.016 243 1HA GLY 29 2HA GLY 29 14.812 7.123 2.132 244 2HA GLY 29 1HA GLY 29 13.860 7.218 0.650 245 H GLN 30 H GLN 30 11.653 5.578 1.837 246 HA GLN 30 HA GLN 30 10.681 7.112 4.128 247 1HB GLN 30 2HB GLN 30 10.328 8.566 2.028 248 2HB GLN 30 1HB GLN 30 9.098 7.388 1.576 249 1HG GLN 30 2HG GLN 30 8.074 7.759 3.879 250 2HG GLN 30 1HG GLN 30 9.164 9.135 4.041 251 1HE2 GLN 30 2HE2 GLN 30 6.391 9.398 0.996 252 2HE2 GLN 30 1HE2 GLN 30 7.132 7.901 1.295 253 HA PRO 31 HA PRO 31 8.980 2.874 4.018 254 1HB PRO 31 2HB PRO 31 8.668 3.069 6.860 255 2HB PRO 31 1HB PRO 31 9.893 2.151 5.977 256 1HG PRO 31 2HG PRO 31 10.261 4.572 7.508 257 2HG PRO 31 1HG PRO 31 11.489 3.624 6.659 258 1HD PRO 31 2HD PRO 31 10.393 6.185 5.902 259 2HD PRO 31 1HD PRO 31 11.637 5.237 5.062 260 H MET 32 H MET 32 6.945 3.447 3.087 261 HA MET 32 HA MET 32 4.843 4.249 5.052 262 1HB MET 32 2HB MET 32 5.067 5.557 2.329 263 2HB MET 32 1HB MET 32 3.959 5.979 3.632 264 1HG MET 32 2HG MET 32 6.931 6.099 4.087 265 2HG MET 32 1HG MET 32 6.106 7.424 3.274 266 1HE MET 32 2HE MET 32 4.656 8.985 4.115 267 2HE MET 32 1HE MET 32 4.594 9.469 5.808 268 3HE MET 32 3HE MET 32 6.141 9.432 4.950 269 H THR 33 H THR 33 2.619 4.253 3.726 270 HA THR 33 HA THR 33 2.554 1.717 2.148 271 HB THR 33 HB THR 33 1.290 1.715 4.334 272 HG1 THR 33 HG1 THR 33 -0.368 1.578 2.038 273 1HG2 THR 33 2HG2 THR 33 0.618 4.139 4.186 274 2HG2 THR 33 1HG2 THR 33 -0.537 3.684 2.935 275 3HG2 THR 33 3HG2 THR 33 -0.711 3.046 4.570 276 H PHE 34 H PHE 34 1.591 1.794 0.088 277 HA PHE 34 HA PHE 34 0.235 4.320 -0.677 278 1HB PHE 34 2HB PHE 34 1.807 3.898 -2.889 279 2HB PHE 34 1HB PHE 34 2.100 5.106 -1.646 280 HD1 PHE 34 HD2 PHE 34 3.734 4.689 0.157 281 HD2 PHE 34 HD1 PHE 34 3.157 1.881 -3.043 282 HE1 PHE 34 HE2 PHE 34 5.906 3.630 0.699 283 HE2 PHE 34 HE1 PHE 34 5.335 0.827 -2.500 284 HZ PHE 34 HZ PHE 34 6.711 1.706 -0.639 285 H ARG 35 H ARG 35 -0.351 4.131 -3.157 286 HA ARG 35 HA ARG 35 -1.226 1.359 -3.829 287 1HB ARG 35 2HB ARG 35 -3.037 3.787 -3.676 288 2HB ARG 35 1HB ARG 35 -3.505 2.242 -4.375 289 1HG ARG 35 2HG ARG 35 -3.367 1.143 -2.274 290 2HG ARG 35 1HG ARG 35 -2.519 2.492 -1.534 291 1HD ARG 35 2HD ARG 35 -5.011 3.372 -2.679 292 2HD ARG 35 1HD ARG 35 -5.306 2.037 -1.581 293 HE ARG 35 HE ARG 35 -4.779 4.707 -0.809 294 1HH1 ARG 35 2HH1 ARG 35 -1.964 3.688 -0.370 295 2HH1 ARG 35 1HH1 ARG 35 -2.035 3.172 1.280 296 1HH2 ARG 35 1HH2 ARG 35 -5.506 3.189 1.418 297 2HH2 ARG 35 2HH2 ARG 35 -4.041 2.902 2.298 298 H LEU 36 H LEU 36 -2.586 1.708 -6.092 299 HA LEU 36 HA LEU 36 -0.733 2.386 -8.122 300 1HB LEU 36 2HB LEU 36 -2.498 1.159 -8.979 301 2HB LEU 36 1HB LEU 36 -3.680 1.949 -7.956 302 HG LEU 36 HG LEU 36 -3.570 3.967 -9.374 303 1HD1 LEU 36 3HD1 LEU 36 -1.134 2.912 -10.215 304 2HD1 LEU 36 2HD1 LEU 36 -2.188 2.700 -11.613 305 3HD1 LEU 36 1HD1 LEU 36 -1.958 4.304 -10.917 306 1HD2 LEU 36 2HD2 LEU 36 -4.418 1.307 -10.299 307 2HD2 LEU 36 1HD2 LEU 36 -5.308 2.828 -10.281 308 3HD2 LEU 36 3HD2 LEU 36 -4.198 2.471 -11.604 309 H LEU 37 H LEU 37 -3.575 4.178 -7.060 310 HA LEU 37 HA LEU 37 -2.137 6.746 -7.212 311 1HB LEU 37 2HB LEU 37 -3.932 7.798 -8.541 312 2HB LEU 37 1HB LEU 37 -3.200 6.481 -9.454 313 HG LEU 37 HG LEU 37 -5.260 5.248 -8.017 314 1HD1 LEU 37 2HD1 LEU 37 -5.847 8.048 -8.279 315 2HD1 LEU 37 1HD1 LEU 37 -6.932 7.144 -9.335 316 3HD1 LEU 37 3HD1 LEU 37 -6.867 6.773 -7.612 317 1HD2 LEU 37 3HD2 LEU 37 -4.363 5.228 -10.539 318 2HD2 LEU 37 2HD2 LEU 37 -5.969 4.629 -10.129 319 3HD2 LEU 37 1HD2 LEU 37 -5.777 6.254 -10.786 320 H LEU 38 H LEU 38 -2.846 5.117 -5.087 321 HA LEU 38 HA LEU 38 -3.811 5.248 -2.981 322 1HB LEU 38 2HB LEU 38 -3.555 7.612 -2.934 323 2HB LEU 38 1HB LEU 38 -4.826 7.857 -4.118 324 HG LEU 38 HG LEU 38 -5.773 6.435 -1.737 325 1HD1 LEU 38 1HD1 LEU 38 -3.897 8.451 -1.221 326 2HD1 LEU 38 3HD1 LEU 38 -5.459 9.243 -1.025 327 3HD1 LEU 38 2HD1 LEU 38 -5.077 7.805 -0.081 328 1HD2 LEU 38 3HD2 LEU 38 -6.884 7.904 -3.742 329 2HD2 LEU 38 2HD2 LEU 38 -7.672 7.644 -2.187 330 3HD2 LEU 38 1HD2 LEU 38 -6.776 9.133 -2.482 331 H VAL 39 H VAL 39 -4.813 3.624 -5.027 332 HA VAL 39 HA VAL 39 -7.458 3.633 -5.783 333 HB VAL 39 HB VAL 39 -5.893 1.326 -4.573 334 1HG1 VAL 39 2HG1 VAL 39 -8.547 1.455 -6.012 335 2HG1 VAL 39 1HG1 VAL 39 -7.531 0.019 -6.142 336 3HG1 VAL 39 3HG1 VAL 39 -8.118 0.545 -4.564 337 1HG2 VAL 39 2HG2 VAL 39 -6.080 2.623 -7.266 338 2HG2 VAL 39 1HG2 VAL 39 -4.690 1.892 -6.464 339 3HG2 VAL 39 3HG2 VAL 39 -5.911 0.868 -7.218 340 H ASP 40 H ASP 40 -8.858 4.716 -4.351 341 HA ASP 40 HA ASP 40 -10.015 3.089 -2.218 342 1HB ASP 40 2HB ASP 40 -8.117 5.261 -1.608 343 2HB ASP 40 1HB ASP 40 -9.665 5.431 -0.782 344 H THR 41 H THR 41 -11.467 3.618 -4.270 345 HA THR 41 HA THR 41 -12.695 6.260 -4.267 346 HB THR 41 HB THR 41 -13.079 3.714 -5.812 347 HG1 THR 41 HG1 THR 41 -11.744 4.965 -6.866 348 1HG2 THR 41 2HG2 THR 41 -15.036 5.997 -5.580 349 2HG2 THR 41 1HG2 THR 41 -14.947 4.994 -7.027 350 3HG2 THR 41 3HG2 THR 41 -15.357 4.264 -5.476 351 HA PRO 42 HA PRO 42 -16.468 3.770 -2.505 352 1HB PRO 42 2HB PRO 42 -15.515 1.348 -1.292 353 2HB PRO 42 1HB PRO 42 -16.621 1.513 -2.663 354 1HG PRO 42 2HG PRO 42 -13.873 0.634 -2.710 355 2HG PRO 42 1HG PRO 42 -14.991 0.782 -4.073 356 1HD PRO 42 2HD PRO 42 -12.743 2.471 -3.440 357 2HD PRO 42 1HD PRO 42 -13.862 2.611 -4.808 358 H GLU 43 H GLU 43 -16.626 5.160 -0.778 359 HA GLU 43 HA GLU 43 -15.239 4.423 1.739 360 1HB GLU 43 2HB GLU 43 -14.621 6.837 2.114 361 2HB GLU 43 1HB GLU 43 -13.739 6.078 0.789 362 1HG GLU 43 2HG GLU 43 -14.532 7.608 -0.658 363 2HG GLU 43 1HG GLU 43 -16.190 7.180 -0.240 364 H THR 44 H THR 44 -18.020 4.291 0.760 365 HA THR 44 HA THR 44 -19.303 5.643 3.045 366 HB THR 44 HB THR 44 -20.245 6.150 0.201 367 HG1 THR 44 HG1 THR 44 -19.040 7.872 2.109 368 1HG2 THR 44 2HG2 THR 44 -21.269 7.017 2.913 369 2HG2 THR 44 1HG2 THR 44 -21.760 7.791 1.407 370 3HG2 THR 44 3HG2 THR 44 -22.129 6.089 1.684 371 H LYS 45 H LYS 45 -21.230 4.575 3.668 372 HA LYS 45 HA LYS 45 -21.559 1.873 2.591 373 1HB LYS 45 2HB LYS 45 -21.810 2.649 5.067 374 2HB LYS 45 1HB LYS 45 -23.427 3.159 4.579 375 1HG LYS 45 2HG LYS 45 -24.157 0.997 4.234 376 2HG LYS 45 1HG LYS 45 -22.553 0.415 3.787 377 1HD LYS 45 2HD LYS 45 -22.484 -0.471 5.872 378 2HD LYS 45 1HD LYS 45 -22.195 1.181 6.418 379 1HE LYS 45 2HE LYS 45 -25.021 0.277 5.968 380 2HE LYS 45 1HE LYS 45 -24.187 -0.227 7.437 381 1HZ LYS 45 3HZ LYS 45 -23.685 2.109 7.889 382 2HZ LYS 45 2HZ LYS 45 -24.552 2.570 6.502 383 3HZ LYS 45 1HZ LYS 45 -25.356 1.833 7.804 384 H HIS 46 H HIS 46 -22.397 2.019 0.519 385 HA HIS 46 HA HIS 46 -25.243 2.618 0.288 386 1HB HIS 46 2HB HIS 46 -23.242 4.585 -0.565 387 2HB HIS 46 1HB HIS 46 -24.335 4.116 -1.868 388 HD1 HIS 46 HD1 HIS 46 -27.008 4.100 -1.028 389 HD2 HIS 46 HD2 HIS 46 -24.334 6.534 1.047 390 HE1 HIS 46 HE1 HIS 46 -28.407 5.810 0.211 391 HA PRO 47 HA PRO 47 -23.685 0.841 -3.925 392 1HB PRO 47 2HB PRO 47 -20.855 0.393 -3.832 393 2HB PRO 47 1HB PRO 47 -21.736 1.516 -4.877 394 1HG PRO 47 2HG PRO 47 -20.055 2.150 -2.611 395 2HG PRO 47 1HG PRO 47 -20.892 3.268 -3.693 396 1HD PRO 47 2HD PRO 47 -21.555 2.637 -0.970 397 2HD PRO 47 1HD PRO 47 -22.410 3.731 -2.071 398 H LYS 48 H LYS 48 -24.446 -1.210 -3.563 399 HA LYS 48 HA LYS 48 -24.531 -3.452 -2.896 400 1HB LYS 48 2HB LYS 48 -21.547 -3.052 -2.506 401 2HB LYS 48 1HB LYS 48 -22.371 -4.610 -2.504 402 1HG LYS 48 2HG LYS 48 -23.192 -4.128 -4.818 403 2HG LYS 48 1HG LYS 48 -22.228 -2.651 -4.814 404 1HD LYS 48 2HD LYS 48 -20.918 -5.274 -4.153 405 2HD LYS 48 1HD LYS 48 -21.217 -4.850 -5.840 406 1HE LYS 48 2HE LYS 48 -20.062 -2.633 -5.365 407 2HE LYS 48 1HE LYS 48 -19.567 -3.317 -3.817 408 1HZ LYS 48 3HZ LYS 48 -18.511 -5.144 -5.029 409 2HZ LYS 48 2HZ LYS 48 -18.943 -4.419 -6.504 410 3HZ LYS 48 1HZ LYS 48 -17.852 -3.642 -5.458 411 H LYS 49 H LYS 49 -23.648 -4.912 -0.866 412 HA LYS 49 HA LYS 49 -24.589 -3.454 1.501 413 1HB LYS 49 2HB LYS 49 -25.073 -5.937 0.810 414 2HB LYS 49 1HB LYS 49 -23.513 -6.262 1.566 415 1HG LYS 49 2HG LYS 49 -24.391 -4.969 3.596 416 2HG LYS 49 1HG LYS 49 -25.982 -5.074 2.843 417 1HD LYS 49 2HD LYS 49 -26.123 -7.048 3.968 418 2HD LYS 49 1HD LYS 49 -25.149 -7.664 2.633 419 1HE LYS 49 2HE LYS 49 -23.267 -6.531 4.343 420 2HE LYS 49 1HE LYS 49 -24.420 -7.292 5.440 421 1HZ LYS 49 3HZ LYS 49 -24.205 -9.345 4.178 422 2HZ LYS 49 2HZ LYS 49 -23.081 -8.609 3.137 423 3HZ LYS 49 1HZ LYS 49 -22.701 -8.842 4.777 424 H GLY 50 H GLY 50 -23.306 -2.645 3.106 425 1HA GLY 50 2HA GLY 50 -20.405 -2.645 2.748 426 2HA GLY 50 1HA GLY 50 -21.292 -1.828 4.035 427 H VAL 51 H VAL 51 -19.071 -4.181 3.575 428 HA VAL 51 HA VAL 51 -19.898 -5.617 6.049 429 HB VAL 51 HB VAL 51 -20.168 -6.846 3.725 430 1HG1 VAL 51 3HG1 VAL 51 -17.657 -6.223 3.254 431 2HG1 VAL 51 2HG1 VAL 51 -17.320 -7.637 4.252 432 3HG1 VAL 51 1HG1 VAL 51 -18.271 -7.805 2.777 433 1HG2 VAL 51 3HG2 VAL 51 -19.748 -7.671 6.380 434 2HG2 VAL 51 2HG2 VAL 51 -20.441 -8.628 5.071 435 3HG2 VAL 51 1HG2 VAL 51 -18.711 -8.710 5.402 436 H GLU 52 H GLU 52 -17.603 -7.153 6.371 437 HA GLU 52 HA GLU 52 -15.692 -5.180 7.302 438 1HB GLU 52 2HB GLU 52 -16.292 -7.857 7.895 439 2HB GLU 52 1HB GLU 52 -14.661 -7.901 7.228 440 1HG GLU 52 2HG GLU 52 -14.850 -5.645 8.985 441 2HG GLU 52 1HG GLU 52 -15.470 -7.061 9.833 442 H LYS 53 H LYS 53 -13.199 -6.247 6.780 443 HA LYS 53 HA LYS 53 -12.492 -5.181 4.264 444 1HB LYS 53 2HB LYS 53 -10.982 -5.826 6.271 445 2HB LYS 53 1HB LYS 53 -10.942 -7.433 5.545 446 1HG LYS 53 2HG LYS 53 -9.999 -6.563 3.499 447 2HG LYS 53 1HG LYS 53 -10.227 -4.900 4.041 448 1HD LYS 53 2HD LYS 53 -7.976 -5.233 4.545 449 2HD LYS 53 1HD LYS 53 -8.737 -5.669 6.075 450 1HE LYS 53 2HE LYS 53 -7.398 -7.528 5.785 451 2HE LYS 53 1HE LYS 53 -8.834 -8.074 4.920 452 1HZ LYS 53 2HZ LYS 53 -6.496 -6.729 3.670 453 2HZ LYS 53 1HZ LYS 53 -6.792 -8.402 3.639 454 3HZ LYS 53 3HZ LYS 53 -7.857 -7.340 2.856 455 H TYR 54 H TYR 54 -12.738 -5.941 2.223 456 HA TYR 54 HA TYR 54 -13.073 -8.883 1.819 457 1HB TYR 54 2HB TYR 54 -15.195 -7.202 1.702 458 2HB TYR 54 1HB TYR 54 -14.620 -7.068 0.041 459 HD1 TYR 54 HD1 TYR 54 -14.413 -9.109 -1.385 460 HD2 TYR 54 HD2 TYR 54 -16.197 -9.227 2.522 461 HE1 TYR 54 HE1 TYR 54 -15.431 -11.307 -1.917 462 HE2 TYR 54 HE2 TYR 54 -17.215 -11.425 1.990 463 HH TYR 54 HH TYR 54 -16.393 -13.416 0.079 464 H GLY 55 H GLY 55 -11.327 -9.460 0.617 465 1HA GLY 55 2HA GLY 55 -10.014 -7.568 -1.198 466 2HA GLY 55 1HA GLY 55 -9.525 -9.239 -0.910 467 HA PRO 56 HA PRO 56 -12.069 -8.612 -4.930 468 1HB PRO 56 2HB PRO 56 -9.741 -8.694 -6.578 469 2HB PRO 56 1HB PRO 56 -10.812 -7.315 -6.305 470 1HG PRO 56 2HG PRO 56 -8.112 -7.684 -5.338 471 2HG PRO 56 1HG PRO 56 -9.168 -6.283 -5.117 472 1HD PRO 56 2HD PRO 56 -8.435 -8.284 -3.165 473 2HD PRO 56 1HD PRO 56 -9.455 -6.849 -2.935 474 H GLU 57 H GLU 57 -11.132 -10.074 -7.116 475 HA GLU 57 HA GLU 57 -10.557 -12.779 -5.972 476 1HB GLU 57 2HB GLU 57 -11.892 -13.525 -8.144 477 2HB GLU 57 1HB GLU 57 -12.746 -13.122 -6.658 478 1HG GLU 57 2HG GLU 57 -13.733 -11.310 -7.593 479 2HG GLU 57 1HG GLU 57 -12.234 -10.775 -8.347 480 H ALA 58 H ALA 58 -10.627 -11.131 -9.170 481 HA ALA 58 HA ALA 58 -8.326 -12.687 -10.092 482 1HB ALA 58 1HB ALA 58 -9.764 -10.310 -11.322 483 2HB ALA 58 3HB ALA 58 -8.514 -11.260 -12.126 484 3HB ALA 58 2HB ALA 58 -10.053 -12.008 -11.702 485 H SER 59 H SER 59 -8.988 -9.348 -9.054 486 HA SER 59 HA SER 59 -6.277 -8.406 -9.453 487 1HB SER 59 2HB SER 59 -8.741 -7.359 -8.114 488 2HB SER 59 1HB SER 59 -7.194 -6.633 -7.689 489 HG SER 59 HG SER 59 -8.326 -5.681 -9.529 490 H ALA 60 H ALA 60 -8.005 -9.980 -6.803 491 HA ALA 60 HA ALA 60 -6.215 -9.416 -4.664 492 1HB ALA 60 3HB ALA 60 -7.999 -11.784 -5.256 493 2HB ALA 60 2HB ALA 60 -7.027 -11.695 -3.786 494 3HB ALA 60 1HB ALA 60 -8.266 -10.479 -4.099 495 H PHE 61 H PHE 61 -6.130 -11.980 -7.140 496 HA PHE 61 HA PHE 61 -3.782 -13.310 -6.123 497 1HB PHE 61 2HB PHE 61 -5.283 -13.298 -8.719 498 2HB PHE 61 1HB PHE 61 -3.669 -14.007 -8.682 499 HD1 PHE 61 HD2 PHE 61 -6.895 -14.046 -6.758 500 HD2 PHE 61 HD1 PHE 61 -3.422 -16.233 -8.026 501 HE1 PHE 61 HE2 PHE 61 -7.819 -16.105 -5.733 502 HE2 PHE 61 HE1 PHE 61 -4.346 -18.292 -6.999 503 HZ PHE 61 HZ PHE 61 -6.543 -18.229 -5.854 504 H THR 62 H THR 62 -4.286 -10.462 -8.082 505 HA THR 62 HA THR 62 -1.518 -10.310 -9.039 506 HB THR 62 HB THR 62 -3.262 -7.889 -9.034 507 HG1 THR 62 HG1 THR 62 -3.767 -10.173 -10.645 508 1HG2 THR 62 1HG2 THR 62 -0.964 -8.191 -10.141 509 2HG2 THR 62 3HG2 THR 62 -1.796 -9.208 -11.318 510 3HG2 THR 62 2HG2 THR 62 -2.247 -7.512 -11.141 511 H LYS 63 H LYS 63 -3.478 -8.915 -6.439 512 HA LYS 63 HA LYS 63 -1.385 -7.091 -5.554 513 1HB LYS 63 2HB LYS 63 -3.893 -8.001 -4.116 514 2HB LYS 63 1HB LYS 63 -2.888 -6.621 -3.676 515 1HG LYS 63 2HG LYS 63 -4.279 -6.915 -6.355 516 2HG LYS 63 1HG LYS 63 -4.931 -5.994 -5.003 517 1HD LYS 63 2HD LYS 63 -3.717 -4.224 -5.678 518 2HD LYS 63 1HD LYS 63 -2.251 -5.137 -5.324 519 1HE LYS 63 2HE LYS 63 -1.940 -4.679 -7.582 520 2HE LYS 63 1HE LYS 63 -2.745 -6.244 -7.673 521 1HZ LYS 63 1HZ LYS 63 -4.862 -5.075 -7.935 522 2HZ LYS 63 3HZ LYS 63 -4.049 -3.587 -7.914 523 3HZ LYS 63 2HZ LYS 63 -3.771 -4.686 -9.178 524 H LYS 64 H LYS 64 -1.748 -10.462 -5.193 525 HA LYS 64 HA LYS 64 -0.663 -10.635 -2.493 526 1HB LYS 64 2HB LYS 64 -0.746 -13.006 -2.809 527 2HB LYS 64 1HB LYS 64 -2.186 -12.370 -3.601 528 1HG LYS 64 2HG LYS 64 -1.344 -13.804 -5.238 529 2HG LYS 64 1HG LYS 64 -0.635 -12.262 -5.712 530 1HD LYS 64 2HD LYS 64 1.398 -13.133 -5.506 531 2HD LYS 64 1HD LYS 64 1.090 -13.420 -3.794 532 1HE LYS 64 2HE LYS 64 -0.047 -15.573 -4.424 533 2HE LYS 64 1HE LYS 64 0.467 -15.302 -6.089 534 1HZ LYS 64 3HZ LYS 64 2.270 -15.530 -3.738 535 2HZ LYS 64 2HZ LYS 64 2.011 -16.734 -4.909 536 3HZ LYS 64 1HZ LYS 64 2.763 -15.273 -5.341 537 H MET 65 H MET 65 0.541 -10.300 -5.735 538 HA MET 65 HA MET 65 3.099 -11.480 -5.546 539 1HB MET 65 2HB MET 65 3.763 -10.012 -7.347 540 2HB MET 65 1HB MET 65 2.088 -10.484 -7.622 541 1HG MET 65 2HG MET 65 1.620 -8.284 -7.781 542 2HG MET 65 1HG MET 65 1.888 -8.191 -6.042 543 1HE MET 65 1HE MET 65 2.952 -7.921 -9.457 544 2HE MET 65 3HE MET 65 2.918 -6.183 -9.131 545 3HE MET 65 2HE MET 65 4.437 -6.978 -9.538 546 H LEU 66 H LEU 66 1.818 -8.607 -4.070 547 HA LEU 66 HA LEU 66 4.421 -7.486 -3.323 548 1HB LEU 66 2HB LEU 66 2.075 -6.295 -3.690 549 2HB LEU 66 1HB LEU 66 1.848 -6.705 -1.991 550 HG LEU 66 HG LEU 66 4.485 -5.536 -2.613 551 1HD1 LEU 66 3HD1 LEU 66 1.917 -3.981 -3.002 552 2HD1 LEU 66 2HD1 LEU 66 3.472 -3.211 -2.697 553 3HD1 LEU 66 1HD1 LEU 66 3.237 -4.177 -4.151 554 1HD2 LEU 66 2HD2 LEU 66 2.299 -5.153 -0.555 555 2HD2 LEU 66 1HD2 LEU 66 3.908 -5.835 -0.318 556 3HD2 LEU 66 3HD2 LEU 66 3.717 -4.107 -0.610 557 H GLU 67 H GLU 67 2.207 -9.851 -2.063 558 HA GLU 67 HA GLU 67 3.085 -9.579 0.723 559 1HB GLU 67 2HB GLU 67 1.025 -11.015 -0.727 560 2HB GLU 67 1HB GLU 67 1.901 -12.115 0.338 561 1HG GLU 67 2HG GLU 67 0.763 -9.445 1.223 562 2HG GLU 67 1HG GLU 67 -0.057 -10.990 1.446 563 H ASN 68 H ASN 68 3.963 -11.413 -2.126 564 HA ASN 68 HA ASN 68 6.065 -12.814 -0.519 565 1HB ASN 68 2HB ASN 68 5.906 -14.690 -2.003 566 2HB ASN 68 1HB ASN 68 4.263 -14.273 -1.530 567 1HD2 ASN 68 2HD2 ASN 68 3.459 -12.974 -4.841 568 2HD2 ASN 68 1HD2 ASN 68 3.154 -12.601 -3.212 569 H ALA 69 H ALA 69 5.961 -10.166 -2.171 570 HA ALA 69 HA ALA 69 7.928 -10.610 -4.311 571 1HB ALA 69 1HB ALA 69 6.119 -8.522 -3.487 572 2HB ALA 69 3HB ALA 69 7.740 -7.858 -3.653 573 3HB ALA 69 2HB ALA 69 6.984 -8.688 -5.012 574 H LYS 70 H LYS 70 10.119 -10.353 -4.155 575 HA LYS 70 HA LYS 70 11.222 -9.688 -1.458 576 1HB LYS 70 2HB LYS 70 11.732 -11.907 -2.756 577 2HB LYS 70 1HB LYS 70 12.828 -10.896 -3.698 578 1HG LYS 70 2HG LYS 70 13.989 -10.201 -1.655 579 2HG LYS 70 1HG LYS 70 12.864 -11.144 -0.675 580 1HD LYS 70 2HD LYS 70 13.635 -13.124 -2.244 581 2HD LYS 70 1HD LYS 70 15.047 -12.098 -2.500 582 1HE LYS 70 2HE LYS 70 14.090 -12.568 0.304 583 2HE LYS 70 1HE LYS 70 15.011 -13.834 -0.507 584 1HZ LYS 70 1HZ LYS 70 15.879 -11.011 -0.184 585 2HZ LYS 70 3HZ LYS 70 16.449 -12.326 0.724 586 3HZ LYS 70 2HZ LYS 70 16.768 -12.244 -0.943 587 H LYS 71 H LYS 71 12.022 -9.184 -4.918 588 HA LYS 71 HA LYS 71 13.522 -6.708 -4.170 589 1HB LYS 71 2HB LYS 71 13.329 -8.289 -6.759 590 2HB LYS 71 1HB LYS 71 14.171 -6.745 -6.632 591 1HG LYS 71 2HG LYS 71 14.806 -9.059 -4.794 592 2HG LYS 71 1HG LYS 71 15.598 -8.870 -6.357 593 1HD LYS 71 2HD LYS 71 17.008 -7.354 -5.479 594 2HD LYS 71 1HD LYS 71 15.643 -6.337 -5.016 595 1HE LYS 71 2HE LYS 71 16.622 -6.772 -2.941 596 2HE LYS 71 1HE LYS 71 15.405 -8.044 -3.029 597 1HZ LYS 71 3HZ LYS 71 18.246 -8.357 -3.840 598 2HZ LYS 71 2HZ LYS 71 17.596 -8.875 -2.358 599 3HZ LYS 71 1HZ LYS 71 17.066 -9.577 -3.811 600 H ILE 72 H ILE 72 11.830 -5.256 -3.753 601 HA ILE 72 HA ILE 72 9.572 -5.065 -5.592 602 HB ILE 72 HB ILE 72 10.310 -3.533 -3.115 603 1HG1 ILE 72 2HG1 ILE 72 7.857 -4.970 -2.906 604 2HG1 ILE 72 1HG1 ILE 72 9.063 -6.071 -3.566 605 1HG2 ILE 72 3HG2 ILE 72 8.177 -3.138 -5.131 606 2HG2 ILE 72 2HG2 ILE 72 7.679 -3.041 -3.442 607 3HG2 ILE 72 1HG2 ILE 72 8.936 -1.968 -4.052 608 1HD1 ILE 72 3HD1 ILE 72 9.707 -4.337 -1.193 609 2HD1 ILE 72 2HD1 ILE 72 8.872 -5.877 -0.988 610 3HD1 ILE 72 1HD1 ILE 72 10.481 -5.836 -1.707 611 H GLU 73 H GLU 73 10.285 -4.293 -7.467 612 HA GLU 73 HA GLU 73 11.989 -1.926 -7.631 613 1HB GLU 73 2HB GLU 73 10.723 -3.852 -9.533 614 2HB GLU 73 1HB GLU 73 11.045 -2.236 -10.149 615 1HG GLU 73 2HG GLU 73 12.997 -3.603 -10.591 616 2HG GLU 73 1HG GLU 73 13.411 -2.459 -9.316 617 H VAL 74 H VAL 74 10.324 -0.881 -6.117 618 HA VAL 74 HA VAL 74 7.689 -0.222 -6.785 619 HB VAL 74 HB VAL 74 8.946 2.159 -5.701 620 1HG1 VAL 74 3HG1 VAL 74 6.587 1.385 -5.436 621 2HG1 VAL 74 2HG1 VAL 74 7.175 0.082 -4.402 622 3HG1 VAL 74 1HG1 VAL 74 7.375 1.762 -3.904 623 1HG2 VAL 74 3HG2 VAL 74 9.736 -0.489 -4.488 624 2HG2 VAL 74 2HG2 VAL 74 10.749 0.917 -4.811 625 3HG2 VAL 74 1HG2 VAL 74 9.578 0.959 -3.498 626 H GLU 75 H GLU 75 7.076 0.410 -8.758 627 HA GLU 75 HA GLU 75 8.754 2.203 -10.356 628 1HB GLU 75 2HB GLU 75 6.787 0.227 -10.890 629 2HB GLU 75 1HB GLU 75 6.143 1.749 -11.499 630 1HG GLU 75 2HG GLU 75 7.580 1.733 -13.233 631 2HG GLU 75 1HG GLU 75 8.955 1.522 -12.150 632 H PHE 76 H PHE 76 8.529 3.911 -8.639 633 HA PHE 76 HA PHE 76 6.115 5.577 -9.194 634 1HB PHE 76 2HB PHE 76 5.830 6.106 -6.938 635 2HB PHE 76 1HB PHE 76 6.310 4.418 -6.844 636 HD1 PHE 76 HD1 PHE 76 8.901 3.983 -6.663 637 HD2 PHE 76 HD2 PHE 76 6.987 7.697 -5.668 638 HE1 PHE 76 HE1 PHE 76 10.848 4.608 -5.272 639 HE2 PHE 76 HE2 PHE 76 8.934 8.323 -4.276 640 HZ PHE 76 HZ PHE 76 10.868 6.784 -4.076 641 H ASP 77 H ASP 77 9.004 5.447 -10.191 642 HA ASP 77 HA ASP 77 10.805 6.855 -10.632 643 1HB ASP 77 2HB ASP 77 10.097 9.107 -11.444 644 2HB ASP 77 1HB ASP 77 9.147 7.791 -12.116 645 H LYS 78 H LYS 78 11.034 9.707 -10.034 646 HA LYS 78 HA LYS 78 12.398 9.568 -7.552 647 1HB LYS 78 2HB LYS 78 12.606 11.356 -9.377 648 2HB LYS 78 1HB LYS 78 11.178 12.102 -8.662 649 1HG LYS 78 2HG LYS 78 13.019 13.187 -7.620 650 2HG LYS 78 1HG LYS 78 12.445 12.020 -6.429 651 1HD LYS 78 2HD LYS 78 14.250 10.535 -7.913 652 2HD LYS 78 1HD LYS 78 15.010 12.125 -7.853 653 1HE LYS 78 2HE LYS 78 15.796 11.131 -5.882 654 2HE LYS 78 1HE LYS 78 14.398 12.039 -5.309 655 1HZ LYS 78 3HZ LYS 78 14.273 9.189 -6.126 656 2HZ LYS 78 2HZ LYS 78 14.522 9.692 -4.522 657 3HZ LYS 78 1HZ LYS 78 13.077 10.087 -5.323 658 H GLY 79 H GLY 79 9.077 10.639 -8.273 659 1HA GLY 79 2HA GLY 79 7.800 9.778 -6.000 660 2HA GLY 79 1HA GLY 79 8.514 11.306 -5.482 661 H GLN 80 H GLN 80 5.642 10.318 -6.171 662 HA GLN 80 HA GLN 80 4.801 11.976 -8.405 663 1HB GLN 80 2HB GLN 80 3.345 10.486 -6.220 664 2HB GLN 80 1HB GLN 80 2.477 11.567 -7.308 665 1HG GLN 80 2HG GLN 80 2.330 9.434 -8.339 666 2HG GLN 80 1HG GLN 80 3.598 10.276 -9.227 667 1HE2 GLN 80 2HE2 GLN 80 4.993 7.578 -6.453 668 2HE2 GLN 80 1HE2 GLN 80 3.761 8.650 -6.010 669 H ARG 81 H ARG 81 4.260 12.228 -4.867 670 HA ARG 81 HA ARG 81 3.873 14.093 -3.511 671 1HB ARG 81 2HB ARG 81 6.206 14.516 -4.542 672 2HB ARG 81 1HB ARG 81 5.390 15.689 -5.575 673 1HG ARG 81 2HG ARG 81 5.897 17.094 -3.824 674 2HG ARG 81 1HG ARG 81 4.377 16.453 -3.198 675 1HD ARG 81 2HD ARG 81 6.949 15.000 -2.636 676 2HD ARG 81 1HD ARG 81 6.512 16.411 -1.671 677 HE ARG 81 HE ARG 81 4.225 14.855 -1.607 678 1HH1 ARG 81 2HH1 ARG 81 5.588 12.355 -1.845 679 2HH1 ARG 81 1HH1 ARG 81 6.189 12.023 -0.254 680 1HH2 ARG 81 1HH2 ARG 81 5.855 15.302 0.845 681 2HH2 ARG 81 2HH2 ARG 81 6.340 13.695 1.272 682 H THR 82 H THR 82 1.826 13.454 -5.342 683 HA THR 82 HA THR 82 0.688 16.149 -5.971 684 HB THR 82 HB THR 82 -0.013 13.633 -7.445 685 HG1 THR 82 HG1 THR 82 1.990 13.681 -8.099 686 1HG2 THR 82 2HG2 THR 82 -1.175 16.070 -7.498 687 2HG2 THR 82 1HG2 THR 82 0.068 16.315 -8.725 688 3HG2 THR 82 3HG2 THR 82 -1.112 15.018 -8.912 689 H ASP 83 H ASP 83 -1.741 14.155 -6.749 690 HA ASP 83 HA ASP 83 -3.810 13.802 -5.668 691 1HB ASP 83 2HB ASP 83 -1.974 11.850 -5.190 692 2HB ASP 83 1HB ASP 83 -2.410 12.284 -3.540 693 H LYS 84 H LYS 84 -3.929 13.146 -2.705 694 HA LYS 84 HA LYS 84 -4.358 15.882 -1.764 695 1HB LYS 84 2HB LYS 84 -5.510 13.441 -1.164 696 2HB LYS 84 1HB LYS 84 -4.476 13.721 0.237 697 1HG LYS 84 2HG LYS 84 -5.853 16.160 -0.519 698 2HG LYS 84 1HG LYS 84 -7.005 14.855 -0.242 699 1HD LYS 84 2HD LYS 84 -6.738 15.703 1.916 700 2HD LYS 84 1HD LYS 84 -5.553 14.397 1.899 701 1HE LYS 84 2HE LYS 84 -3.786 15.830 1.983 702 2HE LYS 84 1HE LYS 84 -4.545 16.983 0.887 703 1HZ LYS 84 1HZ LYS 84 -5.266 16.612 3.745 704 2HZ LYS 84 3HZ LYS 84 -4.298 17.866 3.139 705 3HZ LYS 84 2HZ LYS 84 -5.931 17.761 2.683 706 H TYR 85 H TYR 85 -2.265 13.125 -0.854 707 HA TYR 85 HA TYR 85 -0.516 15.018 0.659 708 1HB TYR 85 2HB TYR 85 -0.233 12.015 0.718 709 2HB TYR 85 1HB TYR 85 0.236 13.192 1.942 710 HD1 TYR 85 HD2 TYR 85 -1.609 14.453 3.192 711 HD2 TYR 85 HD1 TYR 85 -2.366 10.989 0.765 712 HE1 TYR 85 HE2 TYR 85 -3.791 14.134 4.326 713 HE2 TYR 85 HE1 TYR 85 -4.548 10.671 1.899 714 HH TYR 85 HH TYR 85 -5.388 11.627 4.569 715 H GLY 86 H GLY 86 -0.661 12.780 -2.049 716 1HA GLY 86 2HA GLY 86 0.780 12.578 -3.897 717 2HA GLY 86 1HA GLY 86 1.761 13.884 -3.221 718 H ARG 87 H ARG 87 0.816 10.716 -1.901 719 HA ARG 87 HA ARG 87 3.486 10.239 -0.850 720 1HB ARG 87 2HB ARG 87 2.534 8.175 -0.005 721 2HB ARG 87 1HB ARG 87 1.356 9.464 0.228 722 1HG ARG 87 2HG ARG 87 0.688 8.582 -2.276 723 2HG ARG 87 1HG ARG 87 1.213 7.082 -1.510 724 1HD ARG 87 2HD ARG 87 -0.319 8.404 0.436 725 2HD ARG 87 1HD ARG 87 -1.217 8.595 -1.073 726 HE ARG 87 HE ARG 87 -0.617 5.929 -1.126 727 1HH1 ARG 87 2HH1 ARG 87 -0.393 5.975 1.852 728 2HH1 ARG 87 1HH1 ARG 87 -2.028 5.702 2.355 729 1HH2 ARG 87 1HH2 ARG 87 -3.383 6.481 -0.744 730 2HH2 ARG 87 2HH2 ARG 87 -3.728 6.002 0.883 731 H VAL 88 H VAL 88 3.313 7.307 -1.545 732 HA VAL 88 HA VAL 88 4.759 7.508 -4.105 733 HB VAL 88 HB VAL 88 4.263 5.140 -2.282 734 1HG1 VAL 88 3HG1 VAL 88 5.393 5.361 -4.927 735 2HG1 VAL 88 2HG1 VAL 88 6.629 4.828 -3.789 736 3HG1 VAL 88 1HG1 VAL 88 5.130 3.914 -3.955 737 1HG2 VAL 88 2HG2 VAL 88 6.627 7.020 -2.540 738 2HG2 VAL 88 1HG2 VAL 88 5.566 6.854 -1.141 739 3HG2 VAL 88 3HG2 VAL 88 6.638 5.531 -1.597 740 H LEU 89 H LEU 89 2.267 8.173 -4.703 741 HA LEU 89 HA LEU 89 0.504 5.929 -5.238 742 1HB LEU 89 2HB LEU 89 0.477 8.794 -6.237 743 2HB LEU 89 1HB LEU 89 -0.808 7.625 -6.537 744 HG LEU 89 HG LEU 89 0.063 8.814 -3.902 745 1HD1 LEU 89 3HD1 LEU 89 -1.701 9.901 -5.353 746 2HD1 LEU 89 2HD1 LEU 89 -2.683 8.454 -5.124 747 3HD1 LEU 89 1HD1 LEU 89 -2.250 9.455 -3.737 748 1HD2 LEU 89 1HD2 LEU 89 -1.340 6.212 -4.459 749 2HD2 LEU 89 3HD2 LEU 89 -0.125 6.577 -3.236 750 3HD2 LEU 89 2HD2 LEU 89 -1.781 7.146 -3.030 751 H ALA 90 H ALA 90 2.074 4.586 -6.375 752 HA ALA 90 HA ALA 90 2.007 5.113 -9.281 753 1HB ALA 90 1HB ALA 90 4.187 6.004 -8.328 754 2HB ALA 90 3HB ALA 90 4.592 4.341 -7.911 755 3HB ALA 90 2HB ALA 90 4.356 4.797 -9.599 756 H TYR 91 H TYR 91 4.220 2.623 -8.229 757 HA TYR 91 HA TYR 91 2.160 0.613 -7.855 758 1HB TYR 91 2HB TYR 91 3.187 1.129 -10.541 759 2HB TYR 91 1HB TYR 91 3.306 -0.563 -10.045 760 HD1 TYR 91 HD1 TYR 91 1.085 -0.990 -8.279 761 HD2 TYR 91 HD2 TYR 91 1.248 1.387 -11.851 762 HE1 TYR 91 HE1 TYR 91 -1.354 -1.237 -8.542 763 HE2 TYR 91 HE2 TYR 91 -1.195 1.135 -12.121 764 HH TYR 91 HH TYR 91 -2.944 -0.985 -11.111 765 H ILE 92 H ILE 92 3.041 -1.627 -7.796 766 HA ILE 92 HA ILE 92 5.900 -1.682 -6.897 767 HB ILE 92 HB ILE 92 3.793 -3.393 -5.607 768 1HG1 ILE 92 2HG1 ILE 92 2.953 -1.032 -5.498 769 2HG1 ILE 92 1HG1 ILE 92 3.338 -1.704 -3.917 770 1HG2 ILE 92 3HG2 ILE 92 6.354 -3.559 -5.305 771 2HG2 ILE 92 2HG2 ILE 92 6.188 -2.100 -4.328 772 3HG2 ILE 92 1HG2 ILE 92 5.344 -3.576 -3.861 773 1HD1 ILE 92 1HD1 ILE 92 5.422 -0.162 -5.435 774 2HD1 ILE 92 3HD1 ILE 92 4.187 0.695 -4.513 775 3HD1 ILE 92 2HD1 ILE 92 5.281 -0.423 -3.698 776 H TYR 93 H TYR 93 7.011 -3.228 -8.083 777 HA TYR 93 HA TYR 93 5.518 -5.688 -8.889 778 1HB TYR 93 2HB TYR 93 7.531 -4.354 -10.705 779 2HB TYR 93 1HB TYR 93 6.466 -5.700 -11.084 780 HD1 TYR 93 HD1 TYR 93 3.839 -4.970 -10.253 781 HD2 TYR 93 HD2 TYR 93 6.953 -2.488 -11.828 782 HE1 TYR 93 HE1 TYR 93 2.157 -3.341 -11.027 783 HE2 TYR 93 HE2 TYR 93 5.288 -0.857 -12.608 784 HH TYR 93 HH TYR 93 2.838 -0.889 -13.238 785 H ALA 94 H ALA 94 6.673 -6.558 -6.975 786 HA ALA 94 HA ALA 94 9.568 -6.891 -7.447 787 1HB ALA 94 2HB ALA 94 7.904 -6.763 -5.070 788 2HB ALA 94 1HB ALA 94 8.911 -8.210 -5.069 789 3HB ALA 94 3HB ALA 94 9.649 -6.626 -5.205 790 H ASP 95 H ASP 95 9.859 -8.576 -8.857 791 HA ASP 95 HA ASP 95 9.786 -10.768 -9.708 792 1HB ASP 95 2HB ASP 95 8.597 -11.392 -6.988 793 2HB ASP 95 1HB ASP 95 9.217 -12.575 -8.136 794 H GLY 96 H GLY 96 7.241 -8.839 -9.325 795 1HA GLY 96 2HA GLY 96 5.179 -10.835 -10.135 796 2HA GLY 96 1HA GLY 96 4.827 -9.266 -9.407 797 H LYS 97 H LYS 97 6.055 -7.450 -10.672 798 HA LYS 97 HA LYS 97 5.588 -6.098 -12.589 799 1HB LYS 97 2HB LYS 97 6.876 -6.805 -14.558 800 2HB LYS 97 1HB LYS 97 7.812 -7.095 -13.095 801 1HG LYS 97 2HG LYS 97 7.299 -9.446 -13.143 802 2HG LYS 97 1HG LYS 97 6.130 -9.219 -14.444 803 1HD LYS 97 2HD LYS 97 8.378 -8.100 -15.541 804 2HD LYS 97 1HD LYS 97 9.074 -9.397 -14.571 805 1HE LYS 97 2HE LYS 97 7.977 -11.066 -15.767 806 2HE LYS 97 1HE LYS 97 6.685 -9.985 -16.289 807 1HZ LYS 97 3HZ LYS 97 8.267 -8.850 -17.726 808 2HZ LYS 97 2HZ LYS 97 9.503 -9.907 -17.230 809 3HZ LYS 97 1HZ LYS 97 8.177 -10.499 -18.111 810 H MET 98 H MET 98 3.460 -7.698 -11.802 811 HA MET 98 HA MET 98 2.125 -8.466 -14.354 812 1HB MET 98 2HB MET 98 0.670 -9.871 -12.720 813 2HB MET 98 1HB MET 98 2.292 -10.464 -13.081 814 1HG MET 98 2HG MET 98 3.152 -9.430 -11.017 815 2HG MET 98 1HG MET 98 1.553 -8.782 -10.660 816 1HE MET 98 3HE MET 98 3.439 -11.666 -11.810 817 2HE MET 98 2HE MET 98 3.758 -12.269 -10.186 818 3HE MET 98 1HE MET 98 2.635 -13.132 -11.233 819 H VAL 99 H VAL 99 1.733 -7.057 -11.111 820 HA VAL 99 HA VAL 99 -0.950 -6.151 -11.347 821 HB VAL 99 HB VAL 99 1.417 -4.923 -9.880 822 1HG1 VAL 99 1HG1 VAL 99 -1.549 -4.341 -9.771 823 2HG1 VAL 99 3HG1 VAL 99 -0.422 -3.851 -8.505 824 3HG1 VAL 99 2HG1 VAL 99 -0.243 -3.214 -10.140 825 1HG2 VAL 99 3HG2 VAL 99 0.633 -7.284 -9.274 826 2HG2 VAL 99 2HG2 VAL 99 0.620 -6.107 -7.960 827 3HG2 VAL 99 1HG2 VAL 99 -0.886 -6.544 -8.767 828 H ASN 100 H ASN 100 2.061 -5.094 -12.737 829 HA ASN 100 HA ASN 100 1.498 -2.406 -13.427 830 1HB ASN 100 2HB ASN 100 3.162 -2.596 -15.110 831 2HB ASN 100 1HB ASN 100 3.635 -3.768 -13.882 832 1HD2 ASN 100 2HD2 ASN 100 2.840 -5.056 -17.609 833 2HD2 ASN 100 1HD2 ASN 100 2.960 -3.409 -17.217 834 H GLU 101 H GLU 101 0.254 -5.369 -14.913 835 HA GLU 101 HA GLU 101 -0.968 -4.020 -17.183 836 1HB GLU 101 2HB GLU 101 -1.289 -6.770 -15.964 837 2HB GLU 101 1HB GLU 101 -2.256 -6.236 -17.338 838 1HG GLU 101 2HG GLU 101 -0.520 -6.428 -18.785 839 2HG GLU 101 1HG GLU 101 0.621 -5.705 -17.650 840 H ALA 102 H ALA 102 -2.041 -5.010 -13.946 841 HA ALA 102 HA ALA 102 -4.836 -4.572 -14.266 842 1HB ALA 102 2HB ALA 102 -3.701 -5.656 -12.281 843 2HB ALA 102 1HB ALA 102 -3.232 -4.043 -11.750 844 3HB ALA 102 3HB ALA 102 -4.938 -4.474 -11.857 845 H LEU 103 HN LEU 103 -5.992 -2.727 -14.519 846 HA LEU 103 HA LEU 103 -4.729 -0.131 -13.743 847 1HB LEU 103 2HB LEU 103 -5.856 0.866 -15.787 848 2HB LEU 103 1HB LEU 103 -4.511 -0.219 -16.133 849 HG LEU 103 HG LEU 103 -6.874 -1.814 -15.979 850 1HD1 LEU 103 1HD1 LEU 103 -8.089 0.326 -16.389 851 2HD1 LEU 103 3HD1 LEU 103 -7.143 0.549 -17.861 852 3HD1 LEU 103 2HD1 LEU 103 -8.255 -0.813 -17.726 853 1HD2 LEU 103 3HD2 LEU 103 -4.610 -1.785 -17.431 854 2HD2 LEU 103 2HD2 LEU 103 -6.052 -2.649 -17.962 855 3HD2 LEU 103 1HD2 LEU 103 -5.694 -1.047 -18.609 No H/Q in entry = 855 Start of MODEL 7 Raw file had 866 H/Q atoms Start of MODEL 7 1 1H ALA 1 2H ALA 1 15.620 13.248 -11.331 2 2H ALA 1 1H ALA 1 14.287 13.866 -10.478 3 3H ALA 1 3H ALA 1 14.854 12.301 -10.147 4 HA ALA 1 HA ALA 1 14.221 11.557 -12.349 5 1HB ALA 1 2HB ALA 1 12.597 11.650 -10.337 6 2HB ALA 1 1HB ALA 1 11.866 13.028 -11.162 7 3HB ALA 1 3HB ALA 1 11.893 11.446 -11.942 8 H THR 2 H THR 2 13.632 12.073 -14.451 9 HA THR 2 HA THR 2 13.936 14.863 -15.271 10 HB THR 2 HB THR 2 13.637 13.981 -17.565 11 HG1 THR 2 HG1 THR 2 13.413 11.408 -16.436 12 1HG2 THR 2 2HG2 THR 2 15.842 13.831 -16.371 13 2HG2 THR 2 1HG2 THR 2 15.433 12.174 -15.926 14 3HG2 THR 2 3HG2 THR 2 15.626 12.609 -17.625 15 H SER 3 H SER 3 12.237 15.640 -17.028 16 HA SER 3 HA SER 3 9.585 15.504 -15.716 17 1HB SER 3 2HB SER 3 10.822 17.414 -17.703 18 2HB SER 3 1HB SER 3 9.100 17.442 -17.335 19 HG SER 3 HG SER 3 10.137 18.847 -15.947 20 H THR 4 H THR 4 10.614 13.300 -17.402 21 HA THR 4 HA THR 4 8.336 13.183 -19.306 22 HB THR 4 HB THR 4 10.444 13.875 -20.523 23 HG1 THR 4 HG1 THR 4 9.219 12.934 -21.946 24 1HG2 THR 4 3HG2 THR 4 11.912 12.397 -19.030 25 2HG2 THR 4 2HG2 THR 4 11.356 11.041 -20.010 26 3HG2 THR 4 1HG2 THR 4 12.260 12.356 -20.758 27 H LYS 5 H LYS 5 9.401 11.885 -16.635 28 HA LYS 5 HA LYS 5 9.595 9.055 -17.359 29 1HB LYS 5 2HB LYS 5 10.390 10.570 -15.168 30 2HB LYS 5 1HB LYS 5 9.039 9.623 -14.547 31 1HG LYS 5 2HG LYS 5 10.605 7.995 -14.269 32 2HG LYS 5 1HG LYS 5 10.381 7.732 -15.998 33 1HD LYS 5 2HD LYS 5 12.701 7.990 -15.850 34 2HD LYS 5 1HD LYS 5 12.177 9.626 -16.250 35 1HE LYS 5 2HE LYS 5 12.371 10.347 -13.980 36 2HE LYS 5 1HE LYS 5 12.530 8.692 -13.394 37 1HZ LYS 5 3HZ LYS 5 14.625 8.527 -14.633 38 2HZ LYS 5 2HZ LYS 5 14.480 10.156 -15.090 39 3HZ LYS 5 1HZ LYS 5 14.675 9.745 -13.454 40 H LYS 6 H LYS 6 8.092 7.593 -15.827 41 HA LYS 6 HA LYS 6 5.393 8.410 -15.315 42 1HB LYS 6 2HB LYS 6 4.250 7.280 -17.201 43 2HB LYS 6 1HB LYS 6 5.247 8.617 -17.764 44 1HG LYS 6 2HG LYS 6 6.157 5.722 -17.744 45 2HG LYS 6 1HG LYS 6 5.470 6.529 -19.152 46 1HD LYS 6 2HD LYS 6 7.339 8.341 -18.582 47 2HD LYS 6 1HD LYS 6 8.119 6.950 -17.829 48 1HE LYS 6 2HE LYS 6 8.907 6.524 -19.921 49 2HE LYS 6 1HE LYS 6 7.292 5.882 -20.222 50 1HZ LYS 6 3HZ LYS 6 6.610 8.068 -20.999 51 2HZ LYS 6 2HZ LYS 6 8.170 8.678 -20.718 52 3HZ LYS 6 1HZ LYS 6 7.921 7.489 -21.906 53 H LEU 7 H LEU 7 7.613 5.782 -16.163 54 HA LEU 7 HA LEU 7 6.410 4.142 -14.012 55 1HB LEU 7 2HB LEU 7 6.686 3.336 -16.913 56 2HB LEU 7 1HB LEU 7 6.680 2.128 -15.634 57 HG LEU 7 HG LEU 7 4.493 4.170 -16.147 58 1HD1 LEU 7 1HD1 LEU 7 4.585 1.165 -16.550 59 2HD1 LEU 7 3HD1 LEU 7 3.154 2.175 -16.761 60 3HD1 LEU 7 2HD1 LEU 7 4.545 2.382 -17.827 61 1HD2 LEU 7 3HD2 LEU 7 4.881 3.460 -13.720 62 2HD2 LEU 7 2HD2 LEU 7 3.274 3.130 -14.360 63 3HD2 LEU 7 1HD2 LEU 7 4.452 1.827 -14.225 64 H HIS 8 H HIS 8 8.323 4.619 -12.837 65 HA HIS 8 HA HIS 8 10.943 3.929 -14.010 66 1HB HIS 8 2HB HIS 8 10.153 5.861 -12.235 67 2HB HIS 8 1HB HIS 8 10.808 4.640 -11.145 68 HD1 HIS 8 HD1 HIS 8 11.974 5.781 -14.604 69 HD2 HIS 8 HD2 HIS 8 13.432 5.380 -10.719 70 HE1 HIS 8 HE1 HIS 8 14.429 6.389 -14.695 71 H LYS 9 H LYS 9 12.231 3.035 -11.619 72 HA LYS 9 HA LYS 9 10.906 0.724 -10.500 73 1HB LYS 9 2HB LYS 9 12.632 -0.896 -11.589 74 2HB LYS 9 1HB LYS 9 11.223 -0.422 -12.532 75 1HG LYS 9 2HG LYS 9 12.755 0.113 -14.130 76 2HG LYS 9 1HG LYS 9 12.987 1.577 -13.177 77 1HD LYS 9 2HD LYS 9 15.131 0.976 -12.864 78 2HD LYS 9 1HD LYS 9 14.565 -0.413 -11.937 79 1HE LYS 9 2HE LYS 9 15.771 -1.493 -13.599 80 2HE LYS 9 1HE LYS 9 14.176 -1.449 -14.348 81 1HZ LYS 9 1HZ LYS 9 16.316 0.569 -14.773 82 2HZ LYS 9 3HZ LYS 9 15.938 -0.687 -15.848 83 3HZ LYS 9 2HZ LYS 9 14.800 0.535 -15.539 84 H GLU 10 H GLU 10 11.899 0.297 -8.579 85 HA GLU 10 HA GLU 10 14.785 0.565 -8.209 86 1HB GLU 10 2HB GLU 10 13.536 2.926 -7.958 87 2HB GLU 10 1HB GLU 10 13.191 2.289 -6.351 88 1HG GLU 10 2HG GLU 10 15.967 1.826 -7.116 89 2HG GLU 10 1HG GLU 10 15.557 3.540 -7.159 90 HA PRO 11 HA PRO 11 13.696 -2.840 -5.642 91 1HB PRO 11 2HB PRO 11 16.016 -2.191 -3.982 92 2HB PRO 11 1HB PRO 11 15.699 -3.624 -4.971 93 1HG PRO 11 2HG PRO 11 17.494 -1.555 -5.610 94 2HG PRO 11 1HG PRO 11 16.906 -2.802 -6.718 95 1HD PRO 11 2HD PRO 11 16.265 0.040 -6.694 96 2HD PRO 11 1HD PRO 11 15.812 -1.188 -7.894 97 H ALA 12 H ALA 12 12.562 -3.133 -3.815 98 HA ALA 12 HA ALA 12 12.426 -0.956 -1.774 99 1HB ALA 12 3HB ALA 12 10.138 -2.457 -3.073 100 2HB ALA 12 2HB ALA 12 9.969 -1.398 -1.677 101 3HB ALA 12 1HB ALA 12 10.490 -0.737 -3.222 102 H THR 13 H THR 13 10.386 -2.450 -0.260 103 HA THR 13 HA THR 13 11.558 -5.086 0.281 104 HB THR 13 HB THR 13 13.043 -3.631 1.589 105 HG1 THR 13 HG1 THR 13 12.796 -5.377 2.762 106 1HG2 THR 13 2HG2 THR 13 10.828 -2.012 1.868 107 2HG2 THR 13 1HG2 THR 13 10.985 -2.723 3.474 108 3HG2 THR 13 3HG2 THR 13 12.335 -1.836 2.766 109 H LEU 14 H LEU 14 9.921 -6.425 0.817 110 HA LEU 14 HA LEU 14 7.216 -5.628 0.954 111 1HB LEU 14 2HB LEU 14 7.327 -7.879 0.533 112 2HB LEU 14 1HB LEU 14 8.765 -8.097 1.524 113 HG LEU 14 HG LEU 14 6.451 -7.383 3.143 114 1HD1 LEU 14 2HD1 LEU 14 6.176 -9.528 1.107 115 2HD1 LEU 14 1HD1 LEU 14 5.644 -9.919 2.742 116 3HD1 LEU 14 3HD1 LEU 14 4.934 -8.549 1.887 117 1HD2 LEU 14 1HD2 LEU 14 8.739 -8.489 3.719 118 2HD2 LEU 14 3HD2 LEU 14 7.296 -9.084 4.537 119 3HD2 LEU 14 2HD2 LEU 14 7.973 -9.983 3.180 120 H ILE 15 H ILE 15 6.302 -4.377 2.512 121 HA ILE 15 HA ILE 15 7.098 -4.945 5.324 122 HB ILE 15 HB ILE 15 6.681 -2.464 5.784 123 1HG1 ILE 15 2HG1 ILE 15 7.276 -2.056 2.865 124 2HG1 ILE 15 1HG1 ILE 15 5.604 -2.268 3.389 125 1HG2 ILE 15 1HG2 ILE 15 8.932 -3.493 5.695 126 2HG2 ILE 15 3HG2 ILE 15 8.984 -3.207 3.956 127 3HG2 ILE 15 2HG2 ILE 15 8.948 -1.843 5.073 128 1HD1 ILE 15 3HD1 ILE 15 6.339 -0.470 5.221 129 2HD1 ILE 15 2HD1 ILE 15 7.503 -0.038 3.969 130 3HD1 ILE 15 1HD1 ILE 15 5.774 0.022 3.626 131 H LYS 16 H LYS 16 4.856 -5.992 3.810 132 HA LYS 16 HA LYS 16 2.732 -6.692 4.592 133 1HB LYS 16 2HB LYS 16 2.617 -4.071 6.117 134 2HB LYS 16 1HB LYS 16 1.420 -5.359 6.181 135 1HG LYS 16 2HG LYS 16 4.239 -6.145 6.728 136 2HG LYS 16 1HG LYS 16 3.430 -5.182 7.964 137 1HD LYS 16 2HD LYS 16 1.566 -6.796 8.011 138 2HD LYS 16 1HD LYS 16 2.368 -7.760 6.771 139 1HE LYS 16 2HE LYS 16 4.341 -7.977 8.324 140 2HE LYS 16 1HE LYS 16 3.374 -7.195 9.573 141 1HZ LYS 16 3HZ LYS 16 1.711 -8.960 9.290 142 2HZ LYS 16 2HZ LYS 16 2.731 -9.734 8.172 143 3HZ LYS 16 1HZ LYS 16 3.213 -9.567 9.792 144 H ALA 17 H ALA 17 0.406 -5.793 4.287 145 HA ALA 17 HA ALA 17 0.265 -3.672 2.208 146 1HB ALA 17 1HB ALA 17 -0.740 -6.515 1.850 147 2HB ALA 17 3HB ALA 17 -1.147 -5.173 0.781 148 3HB ALA 17 2HB ALA 17 0.523 -5.721 0.908 149 H ILE 18 H ILE 18 -1.615 -2.544 2.285 150 HA ILE 18 HA ILE 18 -3.271 -2.730 4.623 151 HB ILE 18 HB ILE 18 -3.256 -1.130 2.092 152 1HG1 ILE 18 2HG1 ILE 18 -3.572 0.569 4.218 153 2HG1 ILE 18 1HG1 ILE 18 -2.716 -0.775 4.975 154 1HG2 ILE 18 1HG2 ILE 18 -5.595 -1.470 3.964 155 2HG2 ILE 18 3HG2 ILE 18 -5.314 0.084 3.178 156 3HG2 ILE 18 2HG2 ILE 18 -5.593 -1.359 2.204 157 1HD1 ILE 18 2HD1 ILE 18 -1.087 -0.659 3.004 158 2HD1 ILE 18 1HD1 ILE 18 -1.839 0.885 2.606 159 3HD1 ILE 18 3HD1 ILE 18 -1.014 0.679 4.150 160 H ASP 19 H ASP 19 -4.257 -3.112 1.187 161 HA ASP 19 HA ASP 19 -5.661 -5.587 1.615 162 1HB ASP 19 2HB ASP 19 -7.034 -3.520 2.726 163 2HB ASP 19 1HB ASP 19 -7.648 -3.433 1.078 164 H GLY 20 H GLY 20 -7.758 -4.949 -0.397 165 1HA GLY 20 2HA GLY 20 -6.057 -5.086 -2.794 166 2HA GLY 20 1HA GLY 20 -7.807 -5.306 -2.749 167 H ASP 21 H ASP 21 -5.911 -2.562 -1.493 168 HA ASP 21 HA ASP 21 -6.960 -0.800 -3.633 169 1HB ASP 21 2HB ASP 21 -7.159 0.157 -0.789 170 2HB ASP 21 1HB ASP 21 -8.056 0.695 -2.206 171 H THR 22 H THR 22 -5.069 -0.932 -0.607 172 HA THR 22 HA THR 22 -2.978 0.735 -1.947 173 HB THR 22 HB THR 22 -3.155 0.812 1.019 174 HG1 THR 22 HG1 THR 22 -5.247 1.194 0.795 175 1HG2 THR 22 3HG2 THR 22 -2.475 2.662 -1.242 176 2HG2 THR 22 2HG2 THR 22 -2.843 3.324 0.351 177 3HG2 THR 22 1HG2 THR 22 -1.497 2.202 0.151 178 H VAL 23 H VAL 23 -0.791 0.417 -0.612 179 HA VAL 23 HA VAL 23 -0.489 -2.303 0.503 180 HB VAL 23 HB VAL 23 1.596 -2.528 -1.081 181 1HG1 VAL 23 1HG1 VAL 23 -0.559 -3.921 -0.994 182 2HG1 VAL 23 3HG1 VAL 23 -1.129 -2.916 -2.326 183 3HG1 VAL 23 2HG1 VAL 23 0.312 -3.911 -2.528 184 1HG2 VAL 23 3HG2 VAL 23 1.167 -0.197 -2.030 185 2HG2 VAL 23 2HG2 VAL 23 1.379 -1.478 -3.224 186 3HG2 VAL 23 1HG2 VAL 23 -0.239 -0.885 -2.843 187 H LYS 24 H LYS 24 1.703 -2.606 1.537 188 HA LYS 24 HA LYS 24 2.742 0.052 2.421 189 1HB LYS 24 2HB LYS 24 1.931 -2.075 3.954 190 2HB LYS 24 1HB LYS 24 3.668 -2.362 3.848 191 1HG LYS 24 2HG LYS 24 4.179 -0.211 4.749 192 2HG LYS 24 1HG LYS 24 2.515 0.338 4.561 193 1HD LYS 24 2HD LYS 24 1.941 -0.499 6.571 194 2HD LYS 24 1HD LYS 24 2.607 -2.079 6.158 195 1HE LYS 24 2HE LYS 24 3.870 -1.336 8.037 196 2HE LYS 24 1HE LYS 24 4.912 -1.070 6.640 197 1HZ LYS 24 3HZ LYS 24 3.175 0.995 7.884 198 2HZ LYS 24 2HZ LYS 24 4.848 0.845 8.142 199 3HZ LYS 24 1HZ LYS 24 4.256 1.234 6.598 200 H LEU 25 H LEU 25 4.705 0.656 1.652 201 HA LEU 25 HA LEU 25 6.660 -1.451 0.898 202 1HB LEU 25 2HB LEU 25 5.227 -0.754 -1.097 203 2HB LEU 25 1HB LEU 25 5.968 0.835 -0.963 204 HG LEU 25 HG LEU 25 7.035 -0.813 -2.618 205 1HD1 LEU 25 2HD1 LEU 25 8.066 1.252 -1.140 206 2HD1 LEU 25 1HD1 LEU 25 9.189 -0.051 -0.760 207 3HD1 LEU 25 3HD1 LEU 25 8.925 0.423 -2.437 208 1HD2 LEU 25 2HD2 LEU 25 6.925 -2.631 -0.691 209 2HD2 LEU 25 1HD2 LEU 25 8.261 -2.627 -1.841 210 3HD2 LEU 25 3HD2 LEU 25 8.477 -1.929 -0.237 211 H MET 26 H MET 26 8.714 -0.893 1.454 212 HA MET 26 HA MET 26 9.245 1.952 2.226 213 1HB MET 26 2HB MET 26 9.318 0.325 4.125 214 2HB MET 26 1HB MET 26 10.578 -0.567 3.280 215 1HG MET 26 2HG MET 26 11.855 1.683 3.216 216 2HG MET 26 1HG MET 26 10.712 2.205 4.452 217 1HE MET 26 3HE MET 26 13.327 0.265 3.183 218 2HE MET 26 2HE MET 26 14.444 0.452 4.533 219 3HE MET 26 1HE MET 26 13.655 -1.100 4.259 220 H TYR 27 H TYR 27 10.038 2.622 0.210 221 HA TYR 27 HA TYR 27 12.178 1.029 -1.079 222 1HB TYR 27 2HB TYR 27 11.768 2.266 -3.038 223 2HB TYR 27 1HB TYR 27 10.170 2.127 -2.310 224 HD1 TYR 27 HD2 TYR 27 9.327 4.055 -0.851 225 HD2 TYR 27 HD1 TYR 27 12.750 4.381 -3.424 226 HE1 TYR 27 HE2 TYR 27 9.175 6.523 -0.735 227 HE2 TYR 27 HE1 TYR 27 12.600 6.852 -3.307 228 HH TYR 27 HH TYR 27 10.100 8.510 -2.561 229 H LYS 28 H LYS 28 11.748 4.219 0.472 230 HA LYS 28 HA LYS 28 14.675 4.644 0.169 231 1HB LYS 28 2HB LYS 28 14.290 7.010 0.412 232 2HB LYS 28 1HB LYS 28 13.152 6.403 -0.785 233 1HG LYS 28 2HG LYS 28 11.419 7.124 0.455 234 2HG LYS 28 1HG LYS 28 11.970 6.161 1.826 235 1HD LYS 28 2HD LYS 28 12.101 8.301 2.726 236 2HD LYS 28 1HD LYS 28 13.733 8.117 2.086 237 1HE LYS 28 2HE LYS 28 13.288 9.468 0.213 238 2HE LYS 28 1HE LYS 28 11.543 9.273 0.371 239 1HZ LYS 28 1HZ LYS 28 11.673 10.533 2.467 240 2HZ LYS 28 3HZ LYS 28 13.325 10.801 2.190 241 3HZ LYS 28 2HZ LYS 28 12.171 11.445 1.122 242 H GLY 29 H GLY 29 13.405 2.946 2.209 243 1HA GLY 29 2HA GLY 29 14.136 2.489 4.416 244 2HA GLY 29 1HA GLY 29 14.773 4.126 4.520 245 H GLN 30 H GLN 30 11.793 4.748 3.389 246 HA GLN 30 HA GLN 30 10.659 4.843 6.142 247 1HB GLN 30 2HB GLN 30 9.567 6.886 5.619 248 2HB GLN 30 1HB GLN 30 11.198 7.048 4.977 249 1HG GLN 30 2HG GLN 30 10.334 6.368 2.729 250 2HG GLN 30 1HG GLN 30 8.705 6.348 3.399 251 1HE2 GLN 30 2HE2 GLN 30 9.522 9.735 1.862 252 2HE2 GLN 30 1HE2 GLN 30 9.704 8.157 1.266 253 HA PRO 31 HA PRO 31 7.674 1.975 4.464 254 1HB PRO 31 2HB PRO 31 6.307 1.925 6.960 255 2HB PRO 31 1HB PRO 31 7.501 0.756 6.383 256 1HG PRO 31 2HG PRO 31 7.810 2.735 8.481 257 2HG PRO 31 1HG PRO 31 8.963 1.498 7.964 258 1HD PRO 31 2HD PRO 31 9.068 4.339 7.460 259 2HD PRO 31 1HD PRO 31 10.237 3.097 6.965 260 H MET 32 H MET 32 6.010 2.816 3.229 261 HA MET 32 HA MET 32 4.201 4.828 4.510 262 1HB MET 32 2HB MET 32 5.197 4.842 1.646 263 2HB MET 32 1HB MET 32 4.060 5.995 2.343 264 1HG MET 32 2HG MET 32 5.873 6.481 4.095 265 2HG MET 32 1HG MET 32 6.976 5.613 3.028 266 1HE MET 32 1HE MET 32 6.758 6.075 0.342 267 2HE MET 32 3HE MET 32 7.448 7.663 -0.021 268 3HE MET 32 2HE MET 32 8.210 6.620 1.177 269 H THR 33 H THR 33 2.490 5.022 2.182 270 HA THR 33 HA THR 33 1.361 2.269 2.031 271 HB THR 33 HB THR 33 -0.916 3.383 2.018 272 HG1 THR 33 HG1 THR 33 -0.763 5.461 1.797 273 1HG2 THR 33 1HG2 THR 33 0.263 2.314 4.040 274 2HG2 THR 33 3HG2 THR 33 0.580 3.967 4.570 275 3HG2 THR 33 2HG2 THR 33 -1.081 3.406 4.377 276 H PHE 34 H PHE 34 2.086 1.852 0.009 277 HA PHE 34 HA PHE 34 1.957 3.780 -2.172 278 1HB PHE 34 2HB PHE 34 2.669 0.856 -1.947 279 2HB PHE 34 1HB PHE 34 2.668 1.707 -3.489 280 HD1 PHE 34 HD1 PHE 34 3.766 2.700 -0.023 281 HD2 PHE 34 HD2 PHE 34 4.842 2.129 -4.139 282 HE1 PHE 34 HE1 PHE 34 6.026 3.605 0.442 283 HE2 PHE 34 HE2 PHE 34 7.107 3.035 -3.674 284 HZ PHE 34 HZ PHE 34 7.694 3.772 -1.382 285 H ARG 35 H ARG 35 0.579 3.569 -4.066 286 HA ARG 35 HA ARG 35 -2.060 2.532 -3.437 287 1HB ARG 35 2HB ARG 35 -2.793 3.635 -5.381 288 2HB ARG 35 1HB ARG 35 -1.511 4.665 -4.771 289 1HG ARG 35 2HG ARG 35 -0.003 3.175 -6.372 290 2HG ARG 35 1HG ARG 35 -1.539 2.913 -7.200 291 1HD ARG 35 2HD ARG 35 -1.420 5.664 -6.581 292 2HD ARG 35 1HD ARG 35 0.155 5.243 -7.230 293 HE ARG 35 HE ARG 35 -2.125 5.664 -8.782 294 1HH1 ARG 35 2HH1 ARG 35 -3.002 3.166 -9.354 295 2HH1 ARG 35 1HH1 ARG 35 -1.867 2.446 -10.434 296 1HH2 ARG 35 1HH2 ARG 35 0.674 4.694 -9.694 297 2HH2 ARG 35 2HH2 ARG 35 0.224 3.310 -10.628 298 H LEU 36 H LEU 36 -2.620 0.466 -3.735 299 HA LEU 36 HA LEU 36 -1.044 -1.486 -5.141 300 1HB LEU 36 2HB LEU 36 -2.503 -2.393 -3.519 301 2HB LEU 36 1HB LEU 36 -3.856 -1.398 -4.043 302 HG LEU 36 HG LEU 36 -2.868 -3.200 -6.140 303 1HD1 LEU 36 3HD1 LEU 36 -4.085 -4.344 -3.609 304 2HD1 LEU 36 2HD1 LEU 36 -3.839 -5.233 -5.111 305 3HD1 LEU 36 1HD1 LEU 36 -2.450 -4.648 -4.196 306 1HD2 LEU 36 1HD2 LEU 36 -5.027 -1.807 -6.032 307 2HD2 LEU 36 3HD2 LEU 36 -5.202 -3.488 -6.536 308 3HD2 LEU 36 2HD2 LEU 36 -5.615 -3.013 -4.889 309 H LEU 37 H LEU 37 -3.747 0.561 -5.956 310 HA LEU 37 HA LEU 37 -3.177 0.500 -8.807 311 1HB LEU 37 2HB LEU 37 -4.679 -1.587 -8.225 312 2HB LEU 37 1HB LEU 37 -5.961 -0.390 -8.048 313 HG LEU 37 HG LEU 37 -4.592 0.250 -10.447 314 1HD1 LEU 37 3HD1 LEU 37 -3.690 -2.061 -10.386 315 2HD1 LEU 37 2HD1 LEU 37 -5.335 -2.688 -10.272 316 3HD1 LEU 37 1HD1 LEU 37 -4.814 -1.838 -11.726 317 1HD2 LEU 37 2HD2 LEU 37 -7.016 0.556 -9.882 318 2HD2 LEU 37 1HD2 LEU 37 -6.768 -0.206 -11.453 319 3HD2 LEU 37 3HD2 LEU 37 -7.241 -1.182 -10.062 320 H LEU 38 H LEU 38 -3.320 2.319 -6.520 321 HA LEU 38 HA LEU 38 -4.112 4.385 -5.870 322 1HB LEU 38 2HB LEU 38 -4.251 5.916 -7.531 323 2HB LEU 38 1HB LEU 38 -3.606 4.581 -8.468 324 HG LEU 38 HG LEU 38 -6.404 4.217 -8.500 325 1HD1 LEU 38 1HD1 LEU 38 -6.024 6.851 -7.848 326 2HD1 LEU 38 3HD1 LEU 38 -6.040 6.930 -9.610 327 3HD1 LEU 38 2HD1 LEU 38 -7.416 6.242 -8.746 328 1HD2 LEU 38 3HD2 LEU 38 -4.791 3.706 -10.311 329 2HD2 LEU 38 2HD2 LEU 38 -6.134 4.683 -10.903 330 3HD2 LEU 38 1HD2 LEU 38 -4.569 5.434 -10.590 331 H VAL 39 H VAL 39 -5.883 1.922 -5.879 332 HA VAL 39 HA VAL 39 -8.615 2.778 -6.195 333 HB VAL 39 HB VAL 39 -7.404 0.574 -4.489 334 1HG1 VAL 39 2HG1 VAL 39 -10.227 1.396 -5.100 335 2HG1 VAL 39 1HG1 VAL 39 -9.863 -0.322 -4.947 336 3HG1 VAL 39 3HG1 VAL 39 -9.546 0.769 -3.600 337 1HG2 VAL 39 2HG2 VAL 39 -7.944 0.877 -7.352 338 2HG2 VAL 39 1HG2 VAL 39 -7.013 -0.364 -6.513 339 3HG2 VAL 39 3HG2 VAL 39 -8.762 -0.526 -6.665 340 H ASP 40 H ASP 40 -9.027 4.699 -5.095 341 HA ASP 40 HA ASP 40 -9.338 4.510 -2.187 342 1HB ASP 40 2HB ASP 40 -6.896 5.284 -2.780 343 2HB ASP 40 1HB ASP 40 -7.670 6.824 -3.148 344 H THR 41 H THR 41 -11.222 4.823 -4.280 345 HA THR 41 HA THR 41 -12.089 7.658 -3.953 346 HB THR 41 HB THR 41 -12.403 5.657 -6.185 347 HG1 THR 41 HG1 THR 41 -10.793 7.042 -6.560 348 1HG2 THR 41 3HG2 THR 41 -14.258 7.886 -5.425 349 2HG2 THR 41 2HG2 THR 41 -13.984 7.526 -7.130 350 3HG2 THR 41 1HG2 THR 41 -14.638 6.284 -6.060 351 HA PRO 42 HA PRO 42 -15.094 5.570 -1.304 352 1HB PRO 42 2HB PRO 42 -16.161 8.159 -0.665 353 2HB PRO 42 1HB PRO 42 -15.134 7.130 0.344 354 1HG PRO 42 2HG PRO 42 -14.401 9.579 -0.994 355 2HG PRO 42 1HG PRO 42 -13.384 8.552 0.024 356 1HD PRO 42 2HD PRO 42 -13.282 8.857 -2.845 357 2HD PRO 42 1HD PRO 42 -12.251 7.844 -1.815 358 H GLU 43 H GLU 43 -17.617 5.985 -1.126 359 HA GLU 43 HA GLU 43 -18.865 7.248 -3.441 360 1HB GLU 43 2HB GLU 43 -19.842 5.222 -4.388 361 2HB GLU 43 1HB GLU 43 -18.087 5.073 -4.385 362 1HG GLU 43 2HG GLU 43 -18.389 3.100 -3.325 363 2HG GLU 43 1HG GLU 43 -18.823 4.049 -1.903 364 H THR 44 H THR 44 -21.075 7.563 -3.118 365 HA THR 44 HA THR 44 -22.028 7.054 -0.362 366 HB THR 44 HB THR 44 -22.224 9.337 -1.406 367 HG1 THR 44 HG1 THR 44 -23.773 9.448 -0.022 368 1HG2 THR 44 2HG2 THR 44 -22.853 8.312 -3.695 369 2HG2 THR 44 1HG2 THR 44 -24.484 8.180 -3.037 370 3HG2 THR 44 3HG2 THR 44 -23.718 9.762 -3.188 371 H LYS 45 H LYS 45 -24.008 5.965 0.082 372 HA LYS 45 HA LYS 45 -25.501 4.695 -2.112 373 1HB LYS 45 2HB LYS 45 -23.346 3.295 -1.096 374 2HB LYS 45 1HB LYS 45 -24.689 2.676 -0.138 375 1HG LYS 45 2HG LYS 45 -25.936 2.442 -2.394 376 2HG LYS 45 1HG LYS 45 -24.346 2.624 -3.136 377 1HD LYS 45 2HD LYS 45 -24.822 0.609 -0.940 378 2HD LYS 45 1HD LYS 45 -25.159 0.220 -2.626 379 1HE LYS 45 2HE LYS 45 -22.845 0.742 -3.241 380 2HE LYS 45 1HE LYS 45 -22.493 1.222 -1.581 381 1HZ LYS 45 3HZ LYS 45 -23.437 -1.484 -2.350 382 2HZ LYS 45 2HZ LYS 45 -21.801 -1.076 -2.154 383 3HZ LYS 45 1HZ LYS 45 -22.864 -0.990 -0.832 384 H HIS 46 H HIS 46 -27.366 3.396 -1.200 385 HA HIS 46 HA HIS 46 -28.611 4.894 0.983 386 1HB HIS 46 2HB HIS 46 -30.603 3.590 0.480 387 2HB HIS 46 1HB HIS 46 -29.880 4.117 -1.035 388 HD1 HIS 46 HD1 HIS 46 -28.650 2.294 -2.475 389 HD2 HIS 46 HD2 HIS 46 -30.566 0.794 0.910 390 HE1 HIS 46 HE1 HIS 46 -28.735 -0.221 -2.756 391 HA PRO 47 HA PRO 47 -27.765 2.331 4.423 392 1HB PRO 47 2HB PRO 47 -30.493 2.023 5.293 393 2HB PRO 47 1HB PRO 47 -29.266 3.132 5.921 394 1HG PRO 47 2HG PRO 47 -31.567 3.783 4.312 395 2HG PRO 47 1HG PRO 47 -30.336 4.887 4.940 396 1HD PRO 47 2HD PRO 47 -30.710 4.029 2.215 397 2HD PRO 47 1HD PRO 47 -29.470 5.128 2.850 398 H LYS 48 H LYS 48 -27.178 0.246 3.989 399 HA LYS 48 HA LYS 48 -29.225 -1.845 3.819 400 1HB LYS 48 2HB LYS 48 -28.450 -2.758 1.666 401 2HB LYS 48 1HB LYS 48 -29.059 -1.118 1.455 402 1HG LYS 48 2HG LYS 48 -26.774 -0.232 1.490 403 2HG LYS 48 1HG LYS 48 -26.132 -1.848 1.786 404 1HD LYS 48 2HD LYS 48 -27.810 -2.067 -0.484 405 2HD LYS 48 1HD LYS 48 -26.831 -0.619 -0.728 406 1HE LYS 48 2HE LYS 48 -24.785 -1.880 -0.351 407 2HE LYS 48 1HE LYS 48 -25.709 -3.324 0.060 408 1HZ LYS 48 3HZ LYS 48 -25.821 -1.946 -2.568 409 2HZ LYS 48 2HZ LYS 48 -24.882 -3.324 -2.242 410 3HZ LYS 48 1HZ LYS 48 -26.576 -3.409 -2.159 411 H LYS 49 H LYS 49 -28.237 -4.024 3.953 412 HA LYS 49 HA LYS 49 -25.970 -4.077 5.738 413 1HB LYS 49 2HB LYS 49 -26.155 -6.515 5.601 414 2HB LYS 49 1HB LYS 49 -27.760 -5.805 5.762 415 1HG LYS 49 2HG LYS 49 -28.309 -7.047 3.949 416 2HG LYS 49 1HG LYS 49 -27.395 -5.860 3.017 417 1HD LYS 49 2HD LYS 49 -25.581 -7.251 2.763 418 2HD LYS 49 1HD LYS 49 -25.832 -8.035 4.324 419 1HE LYS 49 2HE LYS 49 -27.807 -9.218 3.383 420 2HE LYS 49 1HE LYS 49 -27.477 -8.482 1.815 421 1HZ LYS 49 3HZ LYS 49 -25.601 -10.230 3.317 422 2HZ LYS 49 2HZ LYS 49 -26.546 -10.716 1.991 423 3HZ LYS 49 1HZ LYS 49 -25.324 -9.553 1.787 424 H GLY 50 H GLY 50 -23.815 -4.667 5.325 425 1HA GLY 50 2HA GLY 50 -22.975 -4.425 2.486 426 2HA GLY 50 1HA GLY 50 -21.923 -4.232 3.887 427 H VAL 51 H VAL 51 -20.378 -5.752 3.214 428 HA VAL 51 HA VAL 51 -21.030 -8.547 3.761 429 HB VAL 51 HB VAL 51 -21.718 -8.285 1.370 430 1HG1 VAL 51 1HG1 VAL 51 -19.932 -6.500 0.927 431 2HG1 VAL 51 3HG1 VAL 51 -18.786 -7.832 0.784 432 3HG1 VAL 51 2HG1 VAL 51 -20.147 -7.718 -0.329 433 1HG2 VAL 51 1HG2 VAL 51 -20.757 -10.426 2.311 434 2HG2 VAL 51 3HG2 VAL 51 -20.551 -10.242 0.570 435 3HG2 VAL 51 2HG2 VAL 51 -19.194 -9.940 1.655 436 H GLU 52 H GLU 52 -19.196 -9.655 4.415 437 HA GLU 52 HA GLU 52 -16.856 -8.166 5.122 438 1HB GLU 52 2HB GLU 52 -17.591 -10.233 6.299 439 2HB GLU 52 1HB GLU 52 -17.158 -11.177 4.874 440 1HG GLU 52 2HG GLU 52 -15.348 -11.232 6.558 441 2HG GLU 52 1HG GLU 52 -14.815 -10.434 5.080 442 H LYS 53 H LYS 53 -15.141 -7.602 3.887 443 HA LYS 53 HA LYS 53 -14.489 -9.246 1.482 444 1HB LYS 53 2HB LYS 53 -15.233 -6.375 1.620 445 2HB LYS 53 1HB LYS 53 -13.844 -6.759 0.604 446 1HG LYS 53 2HG LYS 53 -16.149 -8.584 0.289 447 2HG LYS 53 1HG LYS 53 -16.442 -6.926 -0.234 448 1HD LYS 53 2HD LYS 53 -15.526 -7.774 -2.177 449 2HD LYS 53 1HD LYS 53 -14.049 -7.246 -1.369 450 1HE LYS 53 2HE LYS 53 -14.141 -9.670 -0.310 451 2HE LYS 53 1HE LYS 53 -15.121 -10.021 -1.732 452 1HZ LYS 53 1HZ LYS 53 -13.336 -9.105 -3.110 453 2HZ LYS 53 3HZ LYS 53 -12.386 -8.865 -1.725 454 3HZ LYS 53 2HZ LYS 53 -12.814 -10.440 -2.199 455 H TYR 54 H TYR 54 -12.329 -9.645 1.271 456 HA TYR 54 HA TYR 54 -10.403 -7.964 2.820 457 1HB TYR 54 2HB TYR 54 -10.667 -10.977 2.828 458 2HB TYR 54 1HB TYR 54 -9.157 -10.178 3.261 459 HD1 TYR 54 HD2 TYR 54 -9.781 -7.914 4.829 460 HD2 TYR 54 HD1 TYR 54 -11.854 -11.673 4.699 461 HE1 TYR 54 HE2 TYR 54 -10.648 -7.515 7.118 462 HE2 TYR 54 HE1 TYR 54 -12.720 -11.275 6.987 463 HH TYR 54 HH TYR 54 -11.657 -9.618 9.093 464 H GLY 55 H GLY 55 -10.529 -10.689 0.481 465 1HA GLY 55 2HA GLY 55 -8.484 -9.227 -1.144 466 2HA GLY 55 1HA GLY 55 -8.409 -10.972 -0.914 467 HA PRO 56 HA PRO 56 -11.763 -9.450 -4.157 468 1HB PRO 56 2HB PRO 56 -9.945 -8.539 -6.179 469 2HB PRO 56 1HB PRO 56 -11.153 -7.592 -5.302 470 1HG PRO 56 2HG PRO 56 -8.284 -7.497 -5.013 471 2HG PRO 56 1HG PRO 56 -9.495 -6.537 -4.155 472 1HD PRO 56 2HD PRO 56 -7.907 -8.716 -3.127 473 2HD PRO 56 1HD PRO 56 -9.101 -7.729 -2.262 474 H GLU 57 H GLU 57 -11.006 -9.924 -6.924 475 HA GLU 57 HA GLU 57 -10.044 -12.752 -6.754 476 1HB GLU 57 2HB GLU 57 -11.457 -12.880 -9.011 477 2HB GLU 57 1HB GLU 57 -12.219 -13.116 -7.443 478 1HG GLU 57 2HG GLU 57 -12.069 -10.295 -8.328 479 2HG GLU 57 1HG GLU 57 -13.089 -11.328 -9.324 480 H ALA 58 H ALA 58 -10.469 -10.172 -9.229 481 HA ALA 58 HA ALA 58 -8.087 -11.121 -10.666 482 1HB ALA 58 2HB ALA 58 -9.886 -8.718 -11.113 483 2HB ALA 58 1HB ALA 58 -8.581 -9.212 -12.192 484 3HB ALA 58 3HB ALA 58 -9.980 -10.261 -11.962 485 H SER 59 H SER 59 -9.070 -8.165 -8.902 486 HA SER 59 HA SER 59 -6.431 -6.971 -9.022 487 1HB SER 59 2HB SER 59 -7.414 -5.531 -7.103 488 2HB SER 59 1HB SER 59 -8.172 -5.415 -8.687 489 HG SER 59 HG SER 59 -9.735 -5.700 -7.075 490 H ALA 60 H ALA 60 -7.867 -9.430 -7.042 491 HA ALA 60 HA ALA 60 -6.388 -9.131 -4.624 492 1HB ALA 60 2HB ALA 60 -7.858 -11.305 -5.980 493 2HB ALA 60 1HB ALA 60 -6.574 -11.850 -4.899 494 3HB ALA 60 3HB ALA 60 -7.870 -10.825 -4.282 495 H PHE 61 H PHE 61 -5.504 -10.516 -7.766 496 HA PHE 61 HA PHE 61 -3.073 -11.810 -7.005 497 1HB PHE 61 2HB PHE 61 -3.889 -10.457 -9.596 498 2HB PHE 61 1HB PHE 61 -2.402 -11.387 -9.413 499 HD1 PHE 61 HD2 PHE 61 -2.751 -13.788 -8.278 500 HD2 PHE 61 HD1 PHE 61 -5.784 -11.574 -10.364 501 HE1 PHE 61 HE2 PHE 61 -4.015 -15.886 -8.670 502 HE2 PHE 61 HE1 PHE 61 -7.046 -13.671 -10.755 503 HZ PHE 61 HZ PHE 61 -6.162 -15.827 -9.908 504 H THR 62 H THR 62 -3.803 -8.453 -7.878 505 HA THR 62 HA THR 62 -1.069 -7.512 -7.743 506 HB THR 62 HB THR 62 -3.686 -5.988 -7.500 507 HG1 THR 62 HG1 THR 62 -3.725 -6.525 -9.526 508 1HG2 THR 62 3HG2 THR 62 -0.829 -5.079 -7.886 509 2HG2 THR 62 2HG2 THR 62 -2.224 -4.051 -8.207 510 3HG2 THR 62 1HG2 THR 62 -1.923 -4.644 -6.575 511 H LYS 63 H LYS 63 -3.671 -7.991 -5.409 512 HA LYS 63 HA LYS 63 -2.694 -6.436 -3.233 513 1HB LYS 63 2HB LYS 63 -4.873 -7.948 -3.522 514 2HB LYS 63 1HB LYS 63 -3.860 -9.154 -2.728 515 1HG LYS 63 2HG LYS 63 -3.556 -7.777 -0.801 516 2HG LYS 63 1HG LYS 63 -4.216 -6.363 -1.622 517 1HD LYS 63 2HD LYS 63 -6.013 -7.095 -0.286 518 2HD LYS 63 1HD LYS 63 -6.380 -7.780 -1.869 519 1HE LYS 63 2HE LYS 63 -6.373 -9.840 -0.969 520 2HE LYS 63 1HE LYS 63 -4.685 -9.627 -0.510 521 1HZ LYS 63 2HZ LYS 63 -7.002 -8.675 1.086 522 2HZ LYS 63 1HZ LYS 63 -6.145 -10.109 1.389 523 3HZ LYS 63 3HZ LYS 63 -5.366 -8.610 1.539 524 H LYS 64 H LYS 64 -1.827 -9.617 -4.464 525 HA LYS 64 HA LYS 64 0.124 -10.159 -2.366 526 1HB LYS 64 2HB LYS 64 -0.697 -11.513 -4.949 527 2HB LYS 64 1HB LYS 64 0.702 -12.067 -4.030 528 1HG LYS 64 2HG LYS 64 -0.734 -13.297 -2.809 529 2HG LYS 64 1HG LYS 64 -1.272 -11.776 -2.099 530 1HD LYS 64 2HD LYS 64 -3.141 -11.631 -3.475 531 2HD LYS 64 1HD LYS 64 -2.421 -12.638 -4.731 532 1HE LYS 64 2HE LYS 64 -3.893 -14.167 -3.817 533 2HE LYS 64 1HE LYS 64 -2.485 -14.472 -2.800 534 1HZ LYS 64 3HZ LYS 64 -3.385 -12.907 -1.174 535 2HZ LYS 64 2HZ LYS 64 -4.757 -12.672 -2.149 536 3HZ LYS 64 1HZ LYS 64 -4.455 -14.193 -1.456 537 H MET 65 H MET 65 1.938 -11.160 -4.789 538 HA MET 65 HA MET 65 3.744 -10.317 -6.001 539 1HB MET 65 2HB MET 65 2.611 -8.955 -7.450 540 2HB MET 65 1HB MET 65 1.686 -8.185 -6.170 541 1HG MET 65 2HG MET 65 4.524 -7.488 -6.039 542 2HG MET 65 1HG MET 65 3.797 -7.044 -7.580 543 1HE MET 65 2HE MET 65 2.246 -5.452 -8.058 544 2HE MET 65 1HE MET 65 0.881 -6.154 -7.193 545 3HE MET 65 3HE MET 65 1.284 -4.446 -6.979 546 H LEU 66 H LEU 66 2.720 -7.666 -3.820 547 HA LEU 66 HA LEU 66 5.495 -7.260 -2.941 548 1HB LEU 66 2HB LEU 66 4.451 -5.197 -3.143 549 2HB LEU 66 1HB LEU 66 2.879 -5.828 -2.670 550 HG LEU 66 HG LEU 66 4.003 -6.143 -0.317 551 1HD1 LEU 66 1HD1 LEU 66 5.777 -4.060 -1.623 552 2HD1 LEU 66 3HD1 LEU 66 5.720 -4.385 0.108 553 3HD1 LEU 66 2HD1 LEU 66 6.290 -5.629 -1.003 554 1HD2 LEU 66 3HD2 LEU 66 2.203 -4.470 -1.111 555 2HD2 LEU 66 2HD2 LEU 66 3.111 -4.055 0.342 556 3HD2 LEU 66 1HD2 LEU 66 3.518 -3.299 -1.198 557 H GLU 67 H GLU 67 2.651 -9.018 -1.885 558 HA GLU 67 HA GLU 67 3.449 -9.041 0.937 559 1HB GLU 67 2HB GLU 67 1.513 -10.282 1.339 560 2HB GLU 67 1HB GLU 67 1.061 -9.311 -0.060 561 1HG GLU 67 2HG GLU 67 1.231 -11.134 -1.537 562 2HG GLU 67 1HG GLU 67 2.246 -12.058 -0.434 563 H ASN 68 H ASN 68 4.708 -10.630 -1.748 564 HA ASN 68 HA ASN 68 5.805 -12.772 0.017 565 1HB ASN 68 2HB ASN 68 5.583 -14.414 -1.766 566 2HB ASN 68 1HB ASN 68 4.007 -13.702 -1.425 567 1HD2 ASN 68 2HD2 ASN 68 3.941 -11.867 -4.560 568 2HD2 ASN 68 1HD2 ASN 68 3.451 -11.717 -2.940 569 H ALA 69 H ALA 69 6.302 -10.783 -2.902 570 HA ALA 69 HA ALA 69 8.930 -11.770 -3.525 571 1HB ALA 69 3HB ALA 69 7.482 -10.417 -5.067 572 2HB ALA 69 2HB ALA 69 7.841 -9.001 -4.079 573 3HB ALA 69 1HB ALA 69 9.139 -9.829 -4.942 574 H LYS 70 H LYS 70 10.968 -10.934 -3.044 575 HA LYS 70 HA LYS 70 11.114 -9.371 -0.508 576 1HB LYS 70 2HB LYS 70 12.342 -11.644 -0.931 577 2HB LYS 70 1HB LYS 70 13.469 -10.670 -1.874 578 1HG LYS 70 2HG LYS 70 13.798 -9.189 0.100 579 2HG LYS 70 1HG LYS 70 12.740 -10.244 1.039 580 1HD LYS 70 2HD LYS 70 15.033 -11.501 -0.412 581 2HD LYS 70 1HD LYS 70 15.387 -10.578 1.049 582 1HE LYS 70 2HE LYS 70 14.202 -12.027 2.421 583 2HE LYS 70 1HE LYS 70 13.136 -12.554 1.118 584 1HZ LYS 70 1HZ LYS 70 16.019 -13.230 1.344 585 2HZ LYS 70 3HZ LYS 70 14.740 -14.266 1.753 586 3HZ LYS 70 2HZ LYS 70 14.953 -13.776 0.140 587 H LYS 71 H LYS 71 12.610 -9.526 -3.749 588 HA LYS 71 HA LYS 71 13.658 -6.768 -3.471 589 1HB LYS 71 2HB LYS 71 14.204 -9.062 -5.169 590 2HB LYS 71 1HB LYS 71 13.898 -7.632 -6.155 591 1HG LYS 71 2HG LYS 71 15.595 -6.374 -4.952 592 2HG LYS 71 1HG LYS 71 15.832 -7.708 -3.821 593 1HD LYS 71 2HD LYS 71 16.815 -9.090 -5.476 594 2HD LYS 71 1HD LYS 71 16.220 -8.077 -6.792 595 1HE LYS 71 2HE LYS 71 18.458 -7.418 -6.663 596 2HE LYS 71 1HE LYS 71 17.668 -6.209 -5.652 597 1HZ LYS 71 1HZ LYS 71 18.902 -8.712 -4.636 598 2HZ LYS 71 3HZ LYS 71 19.650 -7.190 -4.610 599 3HZ LYS 71 2HZ LYS 71 18.239 -7.458 -3.701 600 H ILE 72 H ILE 72 12.684 -4.961 -4.563 601 HA ILE 72 HA ILE 72 10.399 -5.563 -6.315 602 HB ILE 72 HB ILE 72 10.192 -4.173 -3.669 603 1HG1 ILE 72 2HG1 ILE 72 8.613 -6.343 -5.074 604 2HG1 ILE 72 1HG1 ILE 72 9.685 -6.552 -3.691 605 1HG2 ILE 72 3HG2 ILE 72 9.200 -2.874 -5.756 606 2HG2 ILE 72 2HG2 ILE 72 7.920 -4.075 -5.612 607 3HG2 ILE 72 1HG2 ILE 72 8.282 -3.004 -4.260 608 1HD1 ILE 72 3HD1 ILE 72 7.886 -4.564 -2.888 609 2HD1 ILE 72 2HD1 ILE 72 6.894 -5.743 -3.748 610 3HD1 ILE 72 1HD1 ILE 72 7.880 -6.252 -2.379 611 H GLU 73 H GLU 73 10.664 -4.357 -8.032 612 HA GLU 73 HA GLU 73 12.188 -1.838 -7.923 613 1HB GLU 73 2HB GLU 73 10.954 -3.413 -10.204 614 2HB GLU 73 1HB GLU 73 11.796 -1.881 -10.426 615 1HG GLU 73 2HG GLU 73 13.358 -3.705 -8.784 616 2HG GLU 73 1HG GLU 73 12.966 -4.427 -10.344 617 H VAL 74 H VAL 74 10.528 -0.781 -6.545 618 HA VAL 74 HA VAL 74 7.822 -0.397 -7.162 619 HB VAL 74 HB VAL 74 9.000 2.137 -6.312 620 1HG1 VAL 74 1HG1 VAL 74 6.801 0.357 -5.709 621 2HG1 VAL 74 3HG1 VAL 74 7.554 0.965 -4.234 622 3HG1 VAL 74 2HG1 VAL 74 6.940 2.096 -5.443 623 1HG2 VAL 74 1HG2 VAL 74 9.795 -0.388 -4.869 624 2HG2 VAL 74 3HG2 VAL 74 10.814 0.973 -5.336 625 3HG2 VAL 74 2HG2 VAL 74 9.649 1.152 -4.026 626 H GLU 75 H GLU 75 6.950 0.207 -9.034 627 HA GLU 75 HA GLU 75 8.384 2.154 -10.774 628 1HB GLU 75 2HB GLU 75 7.815 -0.035 -11.773 629 2HB GLU 75 1HB GLU 75 6.119 0.217 -11.370 630 1HG GLU 75 2HG GLU 75 5.841 1.867 -12.985 631 2HG GLU 75 1HG GLU 75 7.553 2.277 -13.009 632 H PHE 76 H PHE 76 7.704 4.188 -10.009 633 HA PHE 76 HA PHE 76 4.790 4.682 -10.215 634 1HB PHE 76 2HB PHE 76 4.807 5.985 -8.100 635 2HB PHE 76 1HB PHE 76 5.107 4.268 -7.887 636 HD1 PHE 76 HD1 PHE 76 7.502 3.459 -7.554 637 HD2 PHE 76 HD2 PHE 76 6.374 7.600 -7.355 638 HE1 PHE 76 HE1 PHE 76 9.612 3.979 -6.359 639 HE2 PHE 76 HE2 PHE 76 8.485 8.120 -6.167 640 HZ PHE 76 HZ PHE 76 10.103 6.308 -5.665 641 H ASP 77 H ASP 77 6.327 5.467 -12.209 642 HA ASP 77 HA ASP 77 7.175 7.248 -13.459 643 1HB ASP 77 2HB ASP 77 5.651 9.056 -13.651 644 2HB ASP 77 1HB ASP 77 4.678 7.669 -13.187 645 H LYS 78 H LYS 78 7.611 9.831 -13.256 646 HA LYS 78 HA LYS 78 9.916 10.040 -11.524 647 1HB LYS 78 2HB LYS 78 10.012 12.395 -12.308 648 2HB LYS 78 1HB LYS 78 9.793 11.274 -13.647 649 1HG LYS 78 2HG LYS 78 7.187 11.904 -12.782 650 2HG LYS 78 1HG LYS 78 8.063 13.434 -12.772 651 1HD LYS 78 2HD LYS 78 8.712 13.156 -15.081 652 2HD LYS 78 1HD LYS 78 8.071 11.513 -15.112 653 1HE LYS 78 2HE LYS 78 5.797 12.402 -14.693 654 2HE LYS 78 1HE LYS 78 6.446 14.042 -14.711 655 1HZ LYS 78 2HZ LYS 78 6.572 12.107 -16.962 656 2HZ LYS 78 1HZ LYS 78 5.521 13.438 -16.857 657 3HZ LYS 78 3HZ LYS 78 7.194 13.688 -16.979 658 H GLY 79 H GLY 79 9.332 9.852 -9.315 659 1HA GLY 79 2HA GLY 79 8.860 10.906 -7.250 660 2HA GLY 79 1HA GLY 79 8.120 12.242 -8.130 661 H GLN 80 H GLN 80 6.967 11.054 -5.862 662 HA GLN 80 HA GLN 80 4.923 9.122 -6.529 663 1HB GLN 80 2HB GLN 80 5.425 10.967 -4.205 664 2HB GLN 80 1HB GLN 80 3.903 10.081 -4.322 665 1HG GLN 80 2HG GLN 80 4.949 7.997 -4.156 666 2HG GLN 80 1HG GLN 80 6.511 8.627 -4.679 667 1HE2 GLN 80 2HE2 GLN 80 5.423 9.619 -0.829 668 2HE2 GLN 80 1HE2 GLN 80 4.252 9.691 -2.055 669 H ARG 81 H ARG 81 5.079 12.650 -6.565 670 HA ARG 81 HA ARG 81 3.704 14.147 -7.762 671 1HB ARG 81 2HB ARG 81 3.020 12.032 -9.113 672 2HB ARG 81 1HB ARG 81 1.589 12.026 -8.084 673 1HG ARG 81 2HG ARG 81 0.965 13.298 -9.992 674 2HG ARG 81 1HG ARG 81 1.298 14.489 -8.735 675 1HD ARG 81 2HD ARG 81 3.774 13.966 -10.010 676 2HD ARG 81 1HD ARG 81 2.588 14.159 -11.298 677 HE ARG 81 HE ARG 81 3.691 16.331 -10.046 678 1HH1 ARG 81 1HH2 ARG 81 1.978 16.729 -7.897 679 2HH1 ARG 81 2HH2 ARG 81 0.535 17.439 -8.542 680 1HH2 ARG 81 2HH1 ARG 81 1.207 16.479 -11.814 681 2HH2 ARG 81 1HH1 ARG 81 0.098 17.298 -10.765 682 H THR 82 H THR 82 2.016 11.910 -5.526 683 HA THR 82 HA THR 82 0.327 14.163 -4.591 684 HB THR 82 HB THR 82 -0.601 12.207 -3.094 685 HG1 THR 82 HG1 THR 82 0.201 10.337 -3.545 686 1HG2 THR 82 3HG2 THR 82 -0.999 12.432 -6.087 687 2HG2 THR 82 2HG2 THR 82 -2.079 11.551 -5.008 688 3HG2 THR 82 1HG2 THR 82 -1.890 13.295 -4.835 689 H ASP 83 H ASP 83 1.307 11.626 -2.376 690 HA ASP 83 HA ASP 83 2.513 11.675 -0.386 691 1HB ASP 83 2HB ASP 83 4.303 12.540 -2.033 692 2HB ASP 83 1HB ASP 83 3.931 14.142 -1.398 693 H LYS 84 H LYS 84 0.209 13.837 -1.145 694 HA LYS 84 HA LYS 84 0.299 15.063 1.559 695 1HB LYS 84 2HB LYS 84 -0.277 16.569 -1.015 696 2HB LYS 84 1HB LYS 84 -0.459 17.233 0.608 697 1HG LYS 84 2HG LYS 84 2.160 16.084 -0.381 698 2HG LYS 84 1HG LYS 84 1.735 17.781 -0.592 699 1HD LYS 84 2HD LYS 84 1.827 18.234 1.686 700 2HD LYS 84 1HD LYS 84 1.482 16.565 2.137 701 1HE LYS 84 2HE LYS 84 3.882 16.408 0.711 702 2HE LYS 84 1HE LYS 84 4.056 17.860 1.697 703 1HZ LYS 84 1HZ LYS 84 3.410 16.562 3.640 704 2HZ LYS 84 3HZ LYS 84 3.281 15.166 2.683 705 3HZ LYS 84 2HZ LYS 84 4.793 15.910 2.898 706 H TYR 85 H TYR 85 -1.232 12.895 0.015 707 HA TYR 85 HA TYR 85 -3.690 12.896 1.264 708 1HB TYR 85 2HB TYR 85 -4.634 14.815 0.328 709 2HB TYR 85 1HB TYR 85 -3.703 14.670 -1.162 710 HD1 TYR 85 HD1 TYR 85 -6.470 13.040 0.765 711 HD2 TYR 85 HD2 TYR 85 -4.659 13.685 -3.078 712 HE1 TYR 85 HE1 TYR 85 -8.363 11.868 -0.323 713 HE2 TYR 85 HE2 TYR 85 -6.556 12.518 -4.166 714 HH TYR 85 HH TYR 85 -8.419 10.537 -2.983 715 H GLY 86 H GLY 86 -2.223 12.512 -1.956 716 1HA GLY 86 2HA GLY 86 -3.715 10.056 -2.511 717 2HA GLY 86 1HA GLY 86 -2.476 10.774 -3.533 718 H ARG 87 H ARG 87 -1.362 10.551 -0.336 719 HA ARG 87 HA ARG 87 0.272 9.202 0.660 720 1HB ARG 87 2HB ARG 87 -0.941 6.962 -0.964 721 2HB ARG 87 1HB ARG 87 -0.049 6.826 0.544 722 1HG ARG 87 2HG ARG 87 -2.019 6.850 1.582 723 2HG ARG 87 1HG ARG 87 -2.118 8.557 1.159 724 1HD ARG 87 2HD ARG 87 -4.125 7.153 0.454 725 2HD ARG 87 1HD ARG 87 -3.368 8.080 -0.839 726 HE ARG 87 HE ARG 87 -2.093 5.612 -0.957 727 1HH1 ARG 87 2HH1 ARG 87 -4.713 4.561 0.146 728 2HH1 ARG 87 1HH1 ARG 87 -5.584 4.212 -1.309 729 1HH2 ARG 87 1HH2 ARG 87 -3.482 6.097 -3.333 730 2HH2 ARG 87 2HH2 ARG 87 -4.884 5.082 -3.285 731 H VAL 88 H VAL 88 1.261 6.753 -0.703 732 HA VAL 88 HA VAL 88 3.237 8.043 -2.477 733 HB VAL 88 HB VAL 88 3.050 5.238 -1.366 734 1HG1 VAL 88 2HG1 VAL 88 4.991 6.676 -3.095 735 2HG1 VAL 88 1HG1 VAL 88 5.700 5.715 -1.801 736 3HG1 VAL 88 3HG1 VAL 88 4.645 4.953 -2.989 737 1HG2 VAL 88 1HG2 VAL 88 4.412 7.734 -0.328 738 2HG2 VAL 88 3HG2 VAL 88 3.267 6.689 0.513 739 3HG2 VAL 88 2HG2 VAL 88 4.901 6.118 0.180 740 H LEU 89 H LEU 89 1.343 8.230 -4.134 741 HA LEU 89 HA LEU 89 0.091 5.962 -5.304 742 1HB LEU 89 2HB LEU 89 1.036 8.497 -6.711 743 2HB LEU 89 1HB LEU 89 -0.137 7.349 -7.353 744 HG LEU 89 HG LEU 89 -0.476 8.908 -4.774 745 1HD1 LEU 89 1HD1 LEU 89 -1.608 9.302 -7.554 746 2HD1 LEU 89 3HD1 LEU 89 -2.273 10.077 -6.115 747 3HD1 LEU 89 2HD1 LEU 89 -0.624 10.436 -6.628 748 1HD2 LEU 89 3HD2 LEU 89 -1.645 6.717 -4.823 749 2HD2 LEU 89 2HD2 LEU 89 -2.785 8.062 -4.858 750 3HD2 LEU 89 1HD2 LEU 89 -2.419 7.178 -6.338 751 H ALA 90 H ALA 90 1.441 4.207 -5.577 752 HA ALA 90 HA ALA 90 3.384 4.301 -7.766 753 1HB ALA 90 3HB ALA 90 4.181 3.829 -4.884 754 2HB ALA 90 2HB ALA 90 5.202 3.387 -6.251 755 3HB ALA 90 1HB ALA 90 4.790 5.078 -5.967 756 H TYR 91 H TYR 91 3.642 2.294 -8.704 757 HA TYR 91 HA TYR 91 2.008 0.073 -7.670 758 1HB TYR 91 2HB TYR 91 3.491 0.659 -10.190 759 2HB TYR 91 1HB TYR 91 3.306 -1.039 -9.749 760 HD1 TYR 91 HD2 TYR 91 0.849 -1.654 -8.839 761 HD2 TYR 91 HD1 TYR 91 1.788 1.629 -11.446 762 HE1 TYR 91 HE2 TYR 91 -1.509 -1.586 -9.606 763 HE2 TYR 91 HE1 TYR 91 -0.570 1.695 -12.207 764 HH TYR 91 HH TYR 91 -2.546 -0.355 -12.238 765 H ILE 92 H ILE 92 3.171 -2.180 -7.582 766 HA ILE 92 HA ILE 92 5.941 -1.806 -6.487 767 HB ILE 92 HB ILE 92 3.906 -3.650 -5.206 768 1HG1 ILE 92 2HG1 ILE 92 3.153 -1.260 -5.052 769 2HG1 ILE 92 1HG1 ILE 92 3.568 -1.950 -3.485 770 1HG2 ILE 92 2HG2 ILE 92 6.581 -2.507 -4.350 771 2HG2 ILE 92 1HG2 ILE 92 5.534 -3.472 -3.311 772 3HG2 ILE 92 3HG2 ILE 92 6.236 -4.188 -4.760 773 1HD1 ILE 92 1HD1 ILE 92 5.976 -0.883 -4.508 774 2HD1 ILE 92 3HD1 ILE 92 4.738 0.331 -4.830 775 3HD1 ILE 92 2HD1 ILE 92 5.007 -0.240 -3.184 776 H TYR 93 H TYR 93 7.182 -2.929 -7.898 777 HA TYR 93 HA TYR 93 6.086 -5.501 -8.913 778 1HB TYR 93 2HB TYR 93 8.137 -3.670 -10.165 779 2HB TYR 93 1HB TYR 93 7.562 -5.183 -10.864 780 HD1 TYR 93 HD2 TYR 93 4.662 -4.555 -9.559 781 HD2 TYR 93 HD1 TYR 93 7.318 -2.530 -12.244 782 HE1 TYR 93 HE2 TYR 93 2.747 -3.388 -10.546 783 HE2 TYR 93 HE1 TYR 93 5.398 -1.363 -13.245 784 HH TYR 93 HH TYR 93 2.993 -0.689 -12.417 785 H ALA 94 H ALA 94 7.583 -7.231 -9.336 786 HA ALA 94 HA ALA 94 10.197 -7.147 -8.042 787 1HB ALA 94 1HB ALA 94 8.467 -7.743 -6.268 788 2HB ALA 94 3HB ALA 94 8.159 -9.214 -7.190 789 3HB ALA 94 2HB ALA 94 9.753 -8.928 -6.491 790 H ASP 95 H ASP 95 10.106 -10.175 -8.001 791 HA ASP 95 HA ASP 95 11.164 -10.655 -10.617 792 1HB ASP 95 2HB ASP 95 11.580 -11.969 -8.466 793 2HB ASP 95 1HB ASP 95 10.036 -12.765 -8.770 794 H GLY 96 H GLY 96 9.597 -9.999 -12.177 795 1HA GLY 96 2HA GLY 96 7.897 -10.447 -13.753 796 2HA GLY 96 1HA GLY 96 7.654 -12.012 -12.974 797 H LYS 97 H LYS 97 7.607 -9.134 -11.051 798 HA LYS 97 HA LYS 97 4.681 -9.491 -10.753 799 1HB LYS 97 2HB LYS 97 6.794 -9.246 -8.839 800 2HB LYS 97 1HB LYS 97 5.711 -7.864 -8.675 801 1HG LYS 97 2HG LYS 97 4.652 -9.420 -7.326 802 2HG LYS 97 1HG LYS 97 3.827 -9.678 -8.863 803 1HD LYS 97 2HD LYS 97 5.551 -11.485 -9.352 804 2HD LYS 97 1HD LYS 97 6.074 -11.327 -7.675 805 1HE LYS 97 2HE LYS 97 4.059 -12.155 -6.828 806 2HE LYS 97 1HE LYS 97 3.160 -11.741 -8.288 807 1HZ LYS 97 3HZ LYS 97 4.368 -13.474 -9.471 808 2HZ LYS 97 2HZ LYS 97 5.213 -13.876 -8.054 809 3HZ LYS 97 1HZ LYS 97 3.534 -14.116 -8.140 810 H MET 98 H MET 98 5.023 -8.115 -12.885 811 HA MET 98 HA MET 98 5.250 -5.238 -12.285 812 1HB MET 98 2HB MET 98 5.693 -6.883 -14.620 813 2HB MET 98 1HB MET 98 4.442 -5.698 -14.985 814 1HG MET 98 2HG MET 98 6.520 -4.642 -15.513 815 2HG MET 98 1HG MET 98 5.996 -3.941 -13.982 816 1HE MET 98 1HE MET 98 8.144 -3.065 -14.155 817 2HE MET 98 3HE MET 98 9.367 -3.649 -13.018 818 3HE MET 98 2HE MET 98 9.517 -4.004 -14.737 819 H VAL 99 H VAL 99 3.183 -7.121 -11.263 820 HA VAL 99 HA VAL 99 0.936 -7.234 -10.916 821 HB VAL 99 HB VAL 99 1.703 -4.576 -11.102 822 1HG1 VAL 99 2HG1 VAL 99 0.521 -4.704 -13.433 823 2HG1 VAL 99 1HG1 VAL 99 -0.972 -4.771 -12.497 824 3HG1 VAL 99 3HG1 VAL 99 0.098 -3.377 -12.352 825 1HG2 VAL 99 2HG2 VAL 99 0.243 -6.017 -9.492 826 2HG2 VAL 99 1HG2 VAL 99 -0.008 -4.273 -9.578 827 3HG2 VAL 99 3HG2 VAL 99 -1.103 -5.364 -10.425 828 H ASN 100 H ASN 100 2.299 -8.077 -13.473 829 HA ASN 100 HA ASN 100 0.274 -7.691 -15.576 830 1HB ASN 100 2HB ASN 100 1.713 -9.180 -16.912 831 2HB ASN 100 1HB ASN 100 2.657 -7.899 -16.156 832 1HD2 ASN 100 2HD2 ASN 100 4.692 -10.154 -14.374 833 2HD2 ASN 100 1HD2 ASN 100 4.424 -8.562 -14.894 834 H GLU 101 H GLU 101 0.025 -9.475 -12.855 835 HA GLU 101 HA GLU 101 -0.578 -12.119 -13.640 836 1HB GLU 101 2HB GLU 101 -0.760 -10.660 -11.284 837 2HB GLU 101 1HB GLU 101 -2.439 -11.073 -11.632 838 1HG GLU 101 2HG GLU 101 -0.109 -13.009 -11.438 839 2HG GLU 101 1HG GLU 101 -1.440 -12.854 -10.293 840 H ALA 102 H ALA 102 -2.716 -9.250 -13.585 841 HA ALA 102 HA ALA 102 -5.017 -10.707 -14.600 842 1HB ALA 102 2HB ALA 102 -4.437 -7.727 -14.532 843 2HB ALA 102 1HB ALA 102 -6.002 -8.449 -14.906 844 3HB ALA 102 3HB ALA 102 -5.304 -8.641 -13.297 845 H LEU 103 HN LEU 103 -5.262 -11.373 -16.669 846 HA LEU 103 HA LEU 103 -3.928 -9.806 -18.841 847 1HB LEU 103 2HB LEU 103 -2.834 -12.055 -18.267 848 2HB LEU 103 1HB LEU 103 -4.293 -12.809 -18.909 849 HG LEU 103 HG LEU 103 -3.209 -10.731 -20.675 850 1HD1 LEU 103 3HD1 LEU 103 -1.552 -13.188 -20.031 851 2HD1 LEU 103 2HD1 LEU 103 -1.304 -12.167 -21.447 852 3HD1 LEU 103 1HD1 LEU 103 -1.064 -11.506 -19.830 853 1HD2 LEU 103 3HD2 LEU 103 -3.886 -13.672 -21.015 854 2HD2 LEU 103 2HD2 LEU 103 -4.963 -12.315 -21.342 855 3HD2 LEU 103 1HD2 LEU 103 -3.526 -12.559 -22.335 No H/Q in entry = 855 Start of MODEL 8 Raw file had 866 H/Q atoms Start of MODEL 8 1 1H ALA 1 1H ALA 1 7.141 13.434 -24.323 2 2H ALA 1 3H ALA 1 5.603 13.941 -23.814 3 3H ALA 1 2H ALA 1 6.968 14.887 -23.457 4 HA ALA 1 HA ALA 1 6.253 13.684 -21.495 5 1HB ALA 1 3HB ALA 1 6.729 11.265 -23.268 6 2HB ALA 1 2HB ALA 1 6.454 11.190 -21.527 7 3HB ALA 1 1HB ALA 1 5.183 11.785 -22.596 8 H THR 2 H THR 2 7.921 13.591 -20.019 9 HA THR 2 HA THR 2 10.630 12.800 -20.984 10 HB THR 2 HB THR 2 11.511 14.761 -19.548 11 HG1 THR 2 HG1 THR 2 10.065 16.020 -18.730 12 1HG2 THR 2 1HG2 THR 2 11.615 14.679 -22.019 13 2HG2 THR 2 3HG2 THR 2 9.992 15.363 -22.101 14 3HG2 THR 2 2HG2 THR 2 11.317 16.318 -21.437 15 H SER 3 H SER 3 9.049 13.985 -17.977 16 HA SER 3 HA SER 3 9.793 11.459 -16.643 17 1HB SER 3 2HB SER 3 10.792 12.763 -14.717 18 2HB SER 3 1HB SER 3 11.750 12.790 -16.193 19 HG SER 3 HG SER 3 11.251 14.854 -16.493 20 H THR 4 H THR 4 7.277 11.787 -17.146 21 HA THR 4 HA THR 4 6.070 12.764 -14.596 22 HB THR 4 HB THR 4 4.052 13.458 -16.020 23 HG1 THR 4 HG1 THR 4 4.322 12.821 -18.013 24 1HG2 THR 4 1HG2 THR 4 5.715 15.030 -14.980 25 2HG2 THR 4 3HG2 THR 4 6.616 15.000 -16.496 26 3HG2 THR 4 2HG2 THR 4 4.977 15.651 -16.457 27 H LYS 5 H LYS 5 5.524 10.841 -13.671 28 HA LYS 5 HA LYS 5 4.514 8.757 -13.355 29 1HB LYS 5 2HB LYS 5 2.664 10.385 -14.647 30 2HB LYS 5 1HB LYS 5 2.661 8.914 -15.619 31 1HG LYS 5 2HG LYS 5 1.051 8.510 -13.924 32 2HG LYS 5 1HG LYS 5 2.490 7.645 -13.384 33 1HD LYS 5 2HD LYS 5 1.952 8.785 -11.438 34 2HD LYS 5 1HD LYS 5 3.026 9.960 -12.196 35 1HE LYS 5 2HE LYS 5 1.236 11.346 -11.755 36 2HE LYS 5 1HE LYS 5 0.738 10.749 -13.337 37 1HZ LYS 5 1HZ LYS 5 -0.528 8.996 -12.201 38 2HZ LYS 5 3HZ LYS 5 -0.107 9.670 -10.701 39 3HZ LYS 5 2HZ LYS 5 -1.069 10.553 -11.787 40 H LYS 6 H LYS 6 6.860 8.745 -14.933 41 HA LYS 6 HA LYS 6 6.402 7.085 -17.306 42 1HB LYS 6 2HB LYS 6 8.813 7.113 -17.555 43 2HB LYS 6 1HB LYS 6 8.276 8.741 -17.144 44 1HG LYS 6 2HG LYS 6 8.735 8.029 -14.687 45 2HG LYS 6 1HG LYS 6 9.684 6.727 -15.399 46 1HD LYS 6 2HD LYS 6 10.109 9.564 -16.308 47 2HD LYS 6 1HD LYS 6 10.865 8.994 -14.820 48 1HE LYS 6 2HE LYS 6 11.146 7.646 -17.523 49 2HE LYS 6 1HE LYS 6 12.348 8.714 -16.803 50 1HZ LYS 6 1HZ LYS 6 11.943 6.992 -14.810 51 2HZ LYS 6 3HZ LYS 6 11.667 5.974 -16.137 52 3HZ LYS 6 2HZ LYS 6 13.147 6.795 -15.992 53 H LEU 7 H LEU 7 6.967 6.567 -13.933 54 HA LEU 7 HA LEU 7 7.041 4.613 -12.660 55 1HB LEU 7 2HB LEU 7 5.957 3.672 -15.252 56 2HB LEU 7 1HB LEU 7 6.722 2.429 -14.265 57 HG LEU 7 HG LEU 7 5.237 3.846 -12.407 58 1HD1 LEU 7 1HD1 LEU 7 3.641 3.607 -14.977 59 2HD1 LEU 7 3HD1 LEU 7 2.969 4.008 -13.396 60 3HD1 LEU 7 2HD1 LEU 7 4.100 5.111 -14.179 61 1HD2 LEU 7 1HD2 LEU 7 5.439 1.247 -13.346 62 2HD2 LEU 7 3HD2 LEU 7 4.395 1.774 -12.026 63 3HD2 LEU 7 2HD2 LEU 7 3.750 1.645 -13.662 64 H HIS 8 H HIS 8 9.295 5.066 -12.314 65 HA HIS 8 HA HIS 8 11.324 3.908 -14.071 66 1HB HIS 8 2HB HIS 8 11.367 6.010 -12.370 67 2HB HIS 8 1HB HIS 8 12.025 4.771 -11.303 68 HD1 HIS 8 HD1 HIS 8 13.480 7.272 -12.974 69 HD2 HIS 8 HD2 HIS 8 13.873 3.167 -13.566 70 HE1 HIS 8 HE1 HIS 8 15.689 6.929 -14.160 71 H LYS 9 H LYS 9 12.864 3.091 -11.454 72 HA LYS 9 HA LYS 9 11.403 0.760 -10.497 73 1HB LYS 9 2HB LYS 9 13.344 -0.776 -11.381 74 2HB LYS 9 1HB LYS 9 12.004 -0.371 -12.452 75 1HG LYS 9 2HG LYS 9 13.301 1.385 -13.509 76 2HG LYS 9 1HG LYS 9 14.611 1.174 -12.347 77 1HD LYS 9 2HD LYS 9 15.468 -0.138 -14.024 78 2HD LYS 9 1HD LYS 9 14.443 -1.356 -13.265 79 1HE LYS 9 2HE LYS 9 13.806 -1.510 -15.515 80 2HE LYS 9 1HE LYS 9 12.588 -0.420 -14.856 81 1HZ LYS 9 3HZ LYS 9 13.926 1.457 -15.615 82 2HZ LYS 9 2HZ LYS 9 15.067 0.388 -16.280 83 3HZ LYS 9 1HZ LYS 9 13.490 0.449 -16.907 84 H GLU 10 H GLU 10 12.199 0.157 -8.510 85 HA GLU 10 HA GLU 10 14.980 0.546 -7.737 86 1HB GLU 10 2HB GLU 10 13.695 2.851 -7.543 87 2HB GLU 10 1HB GLU 10 13.009 2.118 -6.093 88 1HG GLU 10 2HG GLU 10 15.974 1.966 -6.493 89 2HG GLU 10 1HG GLU 10 15.278 3.502 -5.981 90 HA PRO 11 HA PRO 11 13.505 -2.984 -5.516 91 1HB PRO 11 2HB PRO 11 15.763 -2.699 -3.699 92 2HB PRO 11 1HB PRO 11 15.448 -3.965 -4.894 93 1HG PRO 11 2HG PRO 11 17.374 -1.887 -5.107 94 2HG PRO 11 1HG PRO 11 16.897 -3.024 -6.375 95 1HD PRO 11 2HD PRO 11 16.308 -0.187 -6.198 96 2HD PRO 11 1HD PRO 11 15.919 -1.312 -7.516 97 H ALA 12 H ALA 12 12.474 -3.391 -3.535 98 HA ALA 12 HA ALA 12 12.382 -1.168 -1.548 99 1HB ALA 12 1HB ALA 12 10.377 -1.713 -3.424 100 2HB ALA 12 3HB ALA 12 9.793 -2.424 -1.919 101 3HB ALA 12 2HB ALA 12 10.226 -0.717 -1.978 102 H THR 13 H THR 13 10.276 -2.463 0.003 103 HA THR 13 HA THR 13 11.311 -5.154 0.634 104 HB THR 13 HB THR 13 12.734 -3.622 1.977 105 HG1 THR 13 HG1 THR 13 12.425 -5.463 3.038 106 1HG2 THR 13 3HG2 THR 13 10.603 -1.988 2.125 107 2HG2 THR 13 2HG2 THR 13 10.423 -2.818 3.669 108 3HG2 THR 13 1HG2 THR 13 11.912 -1.945 3.306 109 H LEU 14 H LEU 14 9.585 -6.433 1.107 110 HA LEU 14 HA LEU 14 6.926 -5.358 1.129 111 1HB LEU 14 2HB LEU 14 6.171 -7.613 1.516 112 2HB LEU 14 1HB LEU 14 7.535 -7.690 0.406 113 HG LEU 14 HG LEU 14 8.781 -7.866 2.856 114 1HD1 LEU 14 3HD1 LEU 14 6.179 -8.194 3.559 115 2HD1 LEU 14 2HD1 LEU 14 6.598 -9.861 3.168 116 3HD1 LEU 14 1HD1 LEU 14 7.509 -8.989 4.399 117 1HD2 LEU 14 3HD2 LEU 14 7.967 -9.723 0.694 118 2HD2 LEU 14 2HD2 LEU 14 9.566 -9.411 1.369 119 3HD2 LEU 14 1HD2 LEU 14 8.447 -10.485 2.211 120 H ILE 15 H ILE 15 6.052 -4.231 2.765 121 HA ILE 15 HA ILE 15 6.774 -5.074 5.539 122 HB ILE 15 HB ILE 15 5.916 -2.555 5.989 123 1HG1 ILE 15 2HG1 ILE 15 7.272 -2.399 3.279 124 2HG1 ILE 15 1HG1 ILE 15 5.539 -2.218 3.521 125 1HG2 ILE 15 1HG2 ILE 15 8.691 -3.325 5.032 126 2HG2 ILE 15 3HG2 ILE 15 8.300 -1.904 6.000 127 3HG2 ILE 15 2HG2 ILE 15 8.078 -3.518 6.674 128 1HD1 ILE 15 3HD1 ILE 15 6.300 -0.416 5.308 129 2HD1 ILE 15 2HD1 ILE 15 7.761 -0.382 4.322 130 3HD1 ILE 15 1HD1 ILE 15 6.201 0.004 3.598 131 H LYS 16 H LYS 16 4.735 -6.359 4.175 132 HA LYS 16 HA LYS 16 2.625 -7.202 4.745 133 1HB LYS 16 2HB LYS 16 3.227 -5.937 7.023 134 2HB LYS 16 1HB LYS 16 1.919 -4.885 6.481 135 1HG LYS 16 2HG LYS 16 0.481 -6.404 7.326 136 2HG LYS 16 1HG LYS 16 0.968 -7.477 6.013 137 1HD LYS 16 2HD LYS 16 1.368 -8.761 7.952 138 2HD LYS 16 1HD LYS 16 2.958 -8.115 7.547 139 1HE LYS 16 2HE LYS 16 2.490 -6.208 9.141 140 2HE LYS 16 1HE LYS 16 1.039 -7.072 9.649 141 1HZ LYS 16 3HZ LYS 16 3.810 -8.139 9.777 142 2HZ LYS 16 2HZ LYS 16 2.924 -7.538 11.097 143 3HZ LYS 16 1HZ LYS 16 2.409 -8.944 10.294 144 H ALA 17 H ALA 17 0.742 -7.032 3.641 145 HA ALA 17 HA ALA 17 0.270 -4.576 2.046 146 1HB ALA 17 1HB ALA 17 -0.286 -7.415 1.748 147 2HB ALA 17 3HB ALA 17 -1.740 -6.456 1.477 148 3HB ALA 17 2HB ALA 17 -0.291 -6.148 0.523 149 H ILE 18 H ILE 18 -2.425 -4.466 1.731 150 HA ILE 18 HA ILE 18 -3.647 -4.403 4.442 151 HB ILE 18 HB ILE 18 -3.139 -2.047 2.636 152 1HG1 ILE 18 2HG1 ILE 18 -3.090 -1.491 5.444 153 2HG1 ILE 18 1HG1 ILE 18 -2.187 -2.978 5.164 154 1HG2 ILE 18 2HG2 ILE 18 -5.404 -2.418 4.607 155 2HG2 ILE 18 1HG2 ILE 18 -4.778 -0.819 4.207 156 3HG2 ILE 18 3HG2 ILE 18 -5.488 -1.828 2.946 157 1HD1 ILE 18 3HD1 ILE 18 -1.411 -1.286 3.071 158 2HD1 ILE 18 2HD1 ILE 18 -1.469 -0.241 4.490 159 3HD1 ILE 18 1HD1 ILE 18 -0.459 -1.687 4.502 160 H ASP 19 H ASP 19 -4.361 -3.408 1.051 161 HA ASP 19 HA ASP 19 -6.776 -5.145 1.105 162 1HB ASP 19 2HB ASP 19 -7.013 -2.473 1.648 163 2HB ASP 19 1HB ASP 19 -7.207 -2.476 -0.104 164 H GLY 20 H GLY 20 -7.713 -3.866 -1.442 165 1HA GLY 20 2HA GLY 20 -6.516 -5.528 -3.358 166 2HA GLY 20 1HA GLY 20 -7.356 -4.032 -3.760 167 H ASP 21 H ASP 21 -6.081 -2.039 -3.852 168 HA ASP 21 HA ASP 21 -3.272 -2.568 -4.630 169 1HB ASP 21 2HB ASP 21 -5.137 -0.233 -5.005 170 2HB ASP 21 1HB ASP 21 -3.397 -0.002 -5.152 171 H THR 22 H THR 22 -4.909 -1.805 -1.818 172 HA THR 22 HA THR 22 -3.059 0.165 -0.745 173 HB THR 22 HB THR 22 -4.800 -1.587 0.958 174 HG1 THR 22 HG1 THR 22 -5.631 0.529 -0.726 175 1HG2 THR 22 1HG2 THR 22 -3.909 1.295 1.039 176 2HG2 THR 22 3HG2 THR 22 -5.078 0.602 2.164 177 3HG2 THR 22 2HG2 THR 22 -3.423 -0.005 2.126 178 H VAL 23 H VAL 23 -0.954 -0.520 -0.458 179 HA VAL 23 HA VAL 23 -0.498 -2.915 1.231 180 HB VAL 23 HB VAL 23 1.276 -3.745 -0.311 181 1HG1 VAL 23 2HG1 VAL 23 -1.236 -4.449 -0.343 182 2HG1 VAL 23 1HG1 VAL 23 -1.290 -3.574 -1.874 183 3HG1 VAL 23 3HG1 VAL 23 -0.199 -4.945 -1.680 184 1HG2 VAL 23 1HG2 VAL 23 0.159 -1.547 -2.077 185 2HG2 VAL 23 3HG2 VAL 23 1.828 -1.755 -1.543 186 3HG2 VAL 23 2HG2 VAL 23 1.126 -2.883 -2.702 187 H LYS 24 H LYS 24 1.575 -2.897 2.287 188 HA LYS 24 HA LYS 24 2.748 -0.172 2.424 189 1HB LYS 24 2HB LYS 24 2.015 -1.872 4.425 190 2HB LYS 24 1HB LYS 24 3.724 -2.275 4.264 191 1HG LYS 24 2HG LYS 24 4.198 0.225 4.356 192 2HG LYS 24 1HG LYS 24 2.511 0.438 4.830 193 1HD LYS 24 2HD LYS 24 2.876 -1.097 6.748 194 2HD LYS 24 1HD LYS 24 4.575 -1.234 6.294 195 1HE LYS 24 2HE LYS 24 4.565 1.376 6.415 196 2HE LYS 24 1HE LYS 24 3.100 1.158 7.372 197 1HZ LYS 24 1HZ LYS 24 4.362 -0.336 8.834 198 2HZ LYS 24 3HZ LYS 24 5.769 -0.016 7.943 199 3HZ LYS 24 2HZ LYS 24 5.009 1.234 8.807 200 H LEU 25 H LEU 25 4.901 0.220 1.900 201 HA LEU 25 HA LEU 25 6.753 -1.988 1.405 202 1HB LEU 25 2HB LEU 25 5.551 -2.023 -0.706 203 2HB LEU 25 1HB LEU 25 5.741 -0.283 -0.884 204 HG LEU 25 HG LEU 25 8.256 -1.791 -0.482 205 1HD1 LEU 25 3HD1 LEU 25 6.339 -2.448 -2.627 206 2HD1 LEU 25 2HD1 LEU 25 7.963 -2.062 -3.195 207 3HD1 LEU 25 1HD1 LEU 25 7.721 -3.366 -2.033 208 1HD2 LEU 25 2HD2 LEU 25 7.266 0.671 -1.708 209 2HD2 LEU 25 1HD2 LEU 25 8.886 0.280 -1.138 210 3HD2 LEU 25 3HD2 LEU 25 8.386 -0.189 -2.762 211 H MET 26 H MET 26 8.670 -1.271 2.164 212 HA MET 26 HA MET 26 9.146 1.657 2.328 213 1HB MET 26 2HB MET 26 9.653 -0.475 4.085 214 2HB MET 26 1HB MET 26 11.240 -0.003 3.477 215 1HG MET 26 2HG MET 26 11.021 2.207 4.267 216 2HG MET 26 1HG MET 26 9.270 2.072 4.422 217 1HE MET 26 2HE MET 26 12.532 0.782 5.192 218 2HE MET 26 1HE MET 26 12.700 1.352 6.850 219 3HE MET 26 3HE MET 26 12.343 -0.351 6.528 220 H TYR 27 H TYR 27 9.880 2.279 0.308 221 HA TYR 27 HA TYR 27 12.128 0.746 -0.906 222 1HB TYR 27 2HB TYR 27 11.571 1.724 -2.974 223 2HB TYR 27 1HB TYR 27 10.001 1.470 -2.218 224 HD1 TYR 27 HD2 TYR 27 8.878 3.399 -1.028 225 HD2 TYR 27 HD1 TYR 27 12.345 3.913 -3.503 226 HE1 TYR 27 HE2 TYR 27 8.423 5.829 -1.159 227 HE2 TYR 27 HE1 TYR 27 11.893 6.343 -3.634 228 HH TYR 27 HH TYR 27 10.563 8.059 -2.006 229 H LYS 28 H LYS 28 11.291 3.923 0.424 230 HA LYS 28 HA LYS 28 14.150 4.712 0.123 231 1HB LYS 28 2HB LYS 28 11.888 6.078 -0.759 232 2HB LYS 28 1HB LYS 28 12.325 6.904 0.734 233 1HG LYS 28 2HG LYS 28 13.554 7.996 -1.006 234 2HG LYS 28 1HG LYS 28 14.714 6.979 -0.152 235 1HD LYS 28 2HD LYS 28 13.641 5.295 -2.106 236 2HD LYS 28 1HD LYS 28 13.837 6.842 -2.929 237 1HE LYS 28 2HE LYS 28 16.150 6.888 -2.573 238 2HE LYS 28 1HE LYS 28 16.062 5.769 -1.212 239 1HZ LYS 28 1HZ LYS 28 15.227 4.109 -2.951 240 2HZ LYS 28 3HZ LYS 28 15.862 5.184 -4.100 241 3HZ LYS 28 2HZ LYS 28 16.885 4.483 -2.938 242 H GLY 29 H GLY 29 12.967 3.097 2.263 243 1HA GLY 29 2HA GLY 29 13.349 2.929 4.567 244 2HA GLY 29 1HA GLY 29 14.098 4.521 4.515 245 H GLN 30 H GLN 30 11.039 4.704 3.092 246 HA GLN 30 HA GLN 30 9.880 5.667 5.664 247 1HB GLN 30 2HB GLN 30 8.561 7.261 4.356 248 2HB GLN 30 1HB GLN 30 10.271 7.452 3.980 249 1HG GLN 30 2HG GLN 30 9.573 5.603 2.109 250 2HG GLN 30 1HG GLN 30 8.054 6.482 2.265 251 1HE2 GLN 30 2HE2 GLN 30 9.484 8.664 -0.168 252 2HE2 GLN 30 1HE2 GLN 30 8.360 7.415 0.079 253 HA PRO 31 HA PRO 31 6.926 2.395 5.121 254 1HB PRO 31 2HB PRO 31 5.230 3.447 7.144 255 2HB PRO 31 1HB PRO 31 6.476 2.209 7.348 256 1HG PRO 31 2HG PRO 31 6.516 4.960 8.278 257 2HG PRO 31 1HG PRO 31 7.700 3.683 8.583 258 1HD PRO 31 2HD PRO 31 7.955 5.945 6.808 259 2HD PRO 31 1HD PRO 31 9.147 4.668 7.128 260 H MET 32 H MET 32 5.555 2.563 3.343 261 HA MET 32 HA MET 32 3.612 4.854 3.319 262 1HB MET 32 2HB MET 32 3.760 4.848 0.865 263 2HB MET 32 1HB MET 32 5.334 5.153 1.596 264 1HG MET 32 2HG MET 32 5.514 2.499 1.446 265 2HG MET 32 1HG MET 32 4.349 2.733 0.147 266 1HE MET 32 3HE MET 32 6.990 4.535 1.810 267 2HE MET 32 2HE MET 32 8.442 4.094 0.919 268 3HE MET 32 1HE MET 32 7.615 5.604 0.549 269 H THR 33 H THR 33 1.702 4.400 1.849 270 HA THR 33 HA THR 33 0.861 1.540 1.961 271 HB THR 33 HB THR 33 -0.934 3.926 2.444 272 HG1 THR 33 HG1 THR 33 0.074 3.849 4.305 273 1HG2 THR 33 1HG2 THR 33 -1.327 0.935 2.628 274 2HG2 THR 33 3HG2 THR 33 -2.463 2.103 3.302 275 3HG2 THR 33 2HG2 THR 33 -2.168 2.064 1.565 276 H PHE 34 H PHE 34 1.770 1.676 -0.238 277 HA PHE 34 HA PHE 34 1.248 3.261 -2.371 278 1HB PHE 34 2HB PHE 34 1.358 0.282 -2.136 279 2HB PHE 34 1HB PHE 34 1.019 1.019 -3.703 280 HD1 PHE 34 HD1 PHE 34 3.431 1.017 -0.863 281 HD2 PHE 34 HD2 PHE 34 2.732 2.011 -4.978 282 HE1 PHE 34 HE1 PHE 34 5.831 1.541 -1.146 283 HE2 PHE 34 HE2 PHE 34 5.136 2.531 -5.263 284 HZ PHE 34 HZ PHE 34 6.685 2.301 -3.338 285 H ARG 35 H ARG 35 -0.465 3.990 -3.536 286 HA ARG 35 HA ARG 35 -2.936 2.387 -3.631 287 1HB ARG 35 2HB ARG 35 -2.665 4.542 -1.907 288 2HB ARG 35 1HB ARG 35 -3.525 5.210 -3.291 289 1HG ARG 35 2HG ARG 35 -5.366 4.339 -2.273 290 2HG ARG 35 1HG ARG 35 -4.812 2.820 -2.971 291 1HD ARG 35 2HD ARG 35 -4.593 1.987 -0.897 292 2HD ARG 35 1HD ARG 35 -3.337 3.183 -0.578 293 HE ARG 35 HE ARG 35 -5.639 4.614 -0.150 294 1HH1 ARG 35 2HH1 ARG 35 -7.223 2.335 0.601 295 2HH1 ARG 35 1HH1 ARG 35 -6.820 2.053 2.262 296 1HH2 ARG 35 1HH2 ARG 35 -3.902 3.942 2.146 297 2HH2 ARG 35 2HH2 ARG 35 -4.932 2.968 3.139 298 H LEU 36 H LEU 36 -0.644 3.571 -5.490 299 HA LEU 36 HA LEU 36 -0.528 4.805 -7.549 300 1HB LEU 36 2HB LEU 36 -2.155 3.591 -9.210 301 2HB LEU 36 1HB LEU 36 -0.862 2.672 -8.460 302 HG LEU 36 HG LEU 36 -3.338 2.738 -6.875 303 1HD1 LEU 36 2HD1 LEU 36 -3.332 1.858 -9.715 304 2HD1 LEU 36 1HD1 LEU 36 -4.136 0.810 -8.549 305 3HD1 LEU 36 3HD1 LEU 36 -4.655 2.483 -8.732 306 1HD2 LEU 36 2HD2 LEU 36 -1.039 1.055 -7.391 307 2HD2 LEU 36 1HD2 LEU 36 -2.166 1.007 -6.037 308 3HD2 LEU 36 3HD2 LEU 36 -2.528 0.122 -7.517 309 H LEU 37 H LEU 37 -3.837 4.243 -8.405 310 HA LEU 37 HA LEU 37 -4.403 7.120 -8.422 311 1HB LEU 37 2HB LEU 37 -5.269 5.437 -10.162 312 2HB LEU 37 1HB LEU 37 -6.326 4.809 -8.899 313 HG LEU 37 HG LEU 37 -6.926 7.413 -8.654 314 1HD1 LEU 37 1HD1 LEU 37 -6.183 7.058 -11.576 315 2HD1 LEU 37 3HD1 LEU 37 -7.015 8.454 -10.892 316 3HD1 LEU 37 2HD1 LEU 37 -5.351 8.105 -10.426 317 1HD2 LEU 37 2HD2 LEU 37 -8.009 5.454 -10.699 318 2HD2 LEU 37 1HD2 LEU 37 -8.589 5.703 -9.052 319 3HD2 LEU 37 3HD2 LEU 37 -8.822 6.959 -10.268 320 H LEU 38 H LEU 38 -5.728 4.173 -6.941 321 HA LEU 38 HA LEU 38 -5.622 4.227 -4.416 322 1HB LEU 38 2HB LEU 38 -6.978 5.786 -3.213 323 2HB LEU 38 1HB LEU 38 -5.844 6.650 -4.222 324 HG LEU 38 HG LEU 38 -7.643 7.895 -4.841 325 1HD1 LEU 38 3HD1 LEU 38 -7.941 5.421 -6.466 326 2HD1 LEU 38 2HD1 LEU 38 -9.300 6.536 -6.465 327 3HD1 LEU 38 1HD1 LEU 38 -7.708 7.089 -6.976 328 1HD2 LEU 38 1HD2 LEU 38 -9.154 5.687 -3.533 329 2HD2 LEU 38 3HD2 LEU 38 -9.173 7.417 -3.202 330 3HD2 LEU 38 2HD2 LEU 38 -10.046 6.775 -4.593 331 H VAL 39 H VAL 39 -6.335 2.184 -5.092 332 HA VAL 39 HA VAL 39 -8.726 1.318 -6.112 333 HB VAL 39 HB VAL 39 -6.728 0.206 -4.293 334 1HG1 VAL 39 3HG1 VAL 39 -9.613 -0.618 -3.949 335 2HG1 VAL 39 2HG1 VAL 39 -8.298 -1.764 -3.696 336 3HG1 VAL 39 1HG1 VAL 39 -8.399 -0.308 -2.710 337 1HG2 VAL 39 3HG2 VAL 39 -7.269 -0.213 -6.800 338 2HG2 VAL 39 2HG2 VAL 39 -6.849 -1.604 -5.800 339 3HG2 VAL 39 1HG2 VAL 39 -8.536 -1.281 -6.198 340 H ASP 40 H ASP 40 -8.359 2.070 -2.579 341 HA ASP 40 HA ASP 40 -11.140 2.979 -2.524 342 1HB ASP 40 2HB ASP 40 -11.710 1.346 -0.611 343 2HB ASP 40 1HB ASP 40 -11.737 0.714 -2.251 344 H THR 41 H THR 41 -9.451 4.754 -1.976 345 HA THR 41 HA THR 41 -8.449 4.729 0.782 346 HB THR 41 HB THR 41 -8.410 6.819 -1.418 347 HG1 THR 41 HG1 THR 41 -7.104 4.882 -1.615 348 1HG2 THR 41 3HG2 THR 41 -7.072 6.819 1.294 349 2HG2 THR 41 2HG2 THR 41 -6.797 8.004 0.016 350 3HG2 THR 41 1HG2 THR 41 -8.380 7.886 0.783 351 HA PRO 42 HA PRO 42 -12.426 6.428 2.086 352 1HB PRO 42 2HB PRO 42 -11.565 6.367 4.795 353 2HB PRO 42 1HB PRO 42 -12.576 5.169 3.977 354 1HG PRO 42 2HG PRO 42 -9.817 4.893 4.834 355 2HG PRO 42 1HG PRO 42 -10.868 3.667 4.112 356 1HD PRO 42 2HD PRO 42 -8.676 5.076 2.869 357 2HD PRO 42 1HD PRO 42 -9.718 3.830 2.158 358 H GLU 43 H GLU 43 -12.800 8.641 2.131 359 HA GLU 43 HA GLU 43 -10.592 10.402 3.084 360 1HB GLU 43 2HB GLU 43 -11.479 12.116 1.651 361 2HB GLU 43 1HB GLU 43 -11.426 10.634 0.701 362 1HG GLU 43 2HG GLU 43 -13.698 10.507 0.535 363 2HG GLU 43 1HG GLU 43 -13.950 11.067 2.187 364 H THR 44 H THR 44 -12.276 12.724 3.392 365 HA THR 44 HA THR 44 -13.838 11.931 5.817 366 HB THR 44 HB THR 44 -13.268 14.287 6.636 367 HG1 THR 44 HG1 THR 44 -12.385 15.421 5.100 368 1HG2 THR 44 3HG2 THR 44 -12.164 12.265 7.509 369 2HG2 THR 44 2HG2 THR 44 -10.989 12.337 6.195 370 3HG2 THR 44 1HG2 THR 44 -11.029 13.612 7.414 371 H LYS 45 H LYS 45 -15.684 11.744 4.297 372 HA LYS 45 HA LYS 45 -17.115 14.314 4.090 373 1HB LYS 45 2HB LYS 45 -15.987 12.903 1.759 374 2HB LYS 45 1HB LYS 45 -17.705 13.265 1.611 375 1HG LYS 45 2HG LYS 45 -15.768 15.377 2.545 376 2HG LYS 45 1HG LYS 45 -16.004 15.067 0.825 377 1HD LYS 45 2HD LYS 45 -18.322 15.623 0.941 378 2HD LYS 45 1HD LYS 45 -18.316 15.587 2.704 379 1HE LYS 45 2HE LYS 45 -16.464 17.485 1.312 380 2HE LYS 45 1HE LYS 45 -18.177 17.894 1.398 381 1HZ LYS 45 1HZ LYS 45 -16.445 17.216 3.715 382 2HZ LYS 45 3HZ LYS 45 -16.954 18.777 3.287 383 3HZ LYS 45 2HZ LYS 45 -18.093 17.622 3.793 384 H HIS 46 H HIS 46 -17.571 11.104 2.560 385 HA HIS 46 HA HIS 46 -19.822 10.556 4.417 386 1HB HIS 46 2HB HIS 46 -20.040 10.865 1.421 387 2HB HIS 46 1HB HIS 46 -21.172 9.849 2.314 388 HD1 HIS 46 HD1 HIS 46 -20.173 13.421 1.788 389 HD2 HIS 46 HD2 HIS 46 -22.927 11.276 4.069 390 HE1 HIS 46 HE1 HIS 46 -21.787 15.120 2.746 391 HA PRO 47 HA PRO 47 -17.092 6.909 3.674 392 1HB PRO 47 2HB PRO 47 -17.770 6.070 6.334 393 2HB PRO 47 1HB PRO 47 -16.218 6.691 5.757 394 1HG PRO 47 2HG PRO 47 -18.132 8.029 7.454 395 2HG PRO 47 1HG PRO 47 -16.571 8.635 6.890 396 1HD PRO 47 2HD PRO 47 -19.199 9.453 6.030 397 2HD PRO 47 1HD PRO 47 -17.629 10.062 5.469 398 H LYS 48 H LYS 48 -17.906 4.969 2.916 399 HA LYS 48 HA LYS 48 -20.784 4.527 2.936 400 1HB LYS 48 2HB LYS 48 -18.923 3.867 1.148 401 2HB LYS 48 1HB LYS 48 -18.881 2.377 2.091 402 1HG LYS 48 2HG LYS 48 -21.263 2.039 1.768 403 2HG LYS 48 1HG LYS 48 -21.416 3.605 0.971 404 1HD LYS 48 2HD LYS 48 -19.623 2.670 -0.680 405 2HD LYS 48 1HD LYS 48 -20.103 1.095 -0.046 406 1HE LYS 48 2HE LYS 48 -22.174 3.065 -1.004 407 2HE LYS 48 1HE LYS 48 -21.349 1.998 -2.141 408 1HZ LYS 48 1HZ LYS 48 -22.067 0.101 -0.819 409 2HZ LYS 48 3HZ LYS 48 -22.875 1.132 0.259 410 3HZ LYS 48 2HZ LYS 48 -23.400 1.010 -1.352 411 H LYS 49 H LYS 49 -21.916 3.395 4.428 412 HA LYS 49 HA LYS 49 -20.395 1.675 6.350 413 1HB LYS 49 2HB LYS 49 -22.930 3.297 6.650 414 2HB LYS 49 1HB LYS 49 -22.470 2.053 7.813 415 1HG LYS 49 2HG LYS 49 -20.322 3.965 7.099 416 2HG LYS 49 1HG LYS 49 -21.677 4.655 7.993 417 1HD LYS 49 2HD LYS 49 -20.652 2.052 8.993 418 2HD LYS 49 1HD LYS 49 -19.581 3.437 9.201 419 1HE LYS 49 2HE LYS 49 -20.818 3.698 11.120 420 2HE LYS 49 1HE LYS 49 -21.884 4.567 10.016 421 1HZ LYS 49 3HZ LYS 49 -22.126 1.669 10.610 422 2HZ LYS 49 2HZ LYS 49 -23.016 2.876 11.409 423 3HZ LYS 49 1HZ LYS 49 -23.219 2.632 9.740 424 H GLY 50 H GLY 50 -21.701 -0.202 7.222 425 1HA GLY 50 2HA GLY 50 -23.950 -1.429 6.498 426 2HA GLY 50 1HA GLY 50 -23.079 -1.563 4.971 427 H VAL 51 H VAL 51 -22.046 -3.478 4.739 428 HA VAL 51 HA VAL 51 -20.714 -4.688 7.116 429 HB VAL 51 HB VAL 51 -21.493 -6.953 6.094 430 1HG1 VAL 51 3HG1 VAL 51 -22.181 -6.069 8.302 431 2HG1 VAL 51 2HG1 VAL 51 -23.466 -5.147 7.522 432 3HG1 VAL 51 1HG1 VAL 51 -23.509 -6.910 7.502 433 1HG2 VAL 51 2HG2 VAL 51 -22.493 -5.786 4.064 434 2HG2 VAL 51 1HG2 VAL 51 -23.566 -6.923 4.882 435 3HG2 VAL 51 3HG2 VAL 51 -23.760 -5.188 5.136 436 H GLU 52 H GLU 52 -19.738 -3.223 4.743 437 HA GLU 52 HA GLU 52 -18.543 -5.063 2.885 438 1HB GLU 52 2HB GLU 52 -17.139 -3.091 2.252 439 2HB GLU 52 1HB GLU 52 -18.865 -2.738 2.270 440 1HG GLU 52 2HG GLU 52 -17.779 -2.256 4.893 441 2HG GLU 52 1HG GLU 52 -16.812 -1.393 3.697 442 H LYS 53 H LYS 53 -16.996 -6.510 3.416 443 HA LYS 53 HA LYS 53 -14.619 -5.677 4.916 444 1HB LYS 53 2HB LYS 53 -16.780 -6.761 6.356 445 2HB LYS 53 1HB LYS 53 -15.628 -8.085 6.191 446 1HG LYS 53 2HG LYS 53 -13.831 -6.632 7.065 447 2HG LYS 53 1HG LYS 53 -14.987 -5.311 7.239 448 1HD LYS 53 2HD LYS 53 -15.580 -7.956 8.530 449 2HD LYS 53 1HD LYS 53 -14.444 -6.854 9.306 450 1HE LYS 53 2HE LYS 53 -16.071 -5.337 9.840 451 2HE LYS 53 1HE LYS 53 -16.977 -5.632 8.356 452 1HZ LYS 53 3HZ LYS 53 -16.867 -7.469 10.690 453 2HZ LYS 53 2HZ LYS 53 -18.156 -6.424 10.323 454 3HZ LYS 53 1HZ LYS 53 -17.774 -7.705 9.275 455 H TYR 54 H TYR 54 -14.958 -6.607 2.255 456 HA TYR 54 HA TYR 54 -14.293 -9.461 2.161 457 1HB TYR 54 2HB TYR 54 -15.249 -7.545 0.312 458 2HB TYR 54 1HB TYR 54 -13.673 -8.057 -0.287 459 HD1 TYR 54 HD2 TYR 54 -13.417 -10.826 0.452 460 HD2 TYR 54 HD1 TYR 54 -16.925 -8.703 -0.826 461 HE1 TYR 54 HE2 TYR 54 -14.415 -12.953 -0.342 462 HE2 TYR 54 HE1 TYR 54 -17.922 -10.829 -1.621 463 HH TYR 54 HH TYR 54 -16.396 -13.428 -2.322 464 H GLY 55 H GLY 55 -12.551 -6.385 1.599 465 1HA GLY 55 2HA GLY 55 -10.262 -5.908 1.895 466 2HA GLY 55 1HA GLY 55 -10.048 -7.534 2.537 467 HA PRO 56 HA PRO 56 -7.656 -8.327 -1.098 468 1HB PRO 56 2HB PRO 56 -8.178 -11.164 -0.763 469 2HB PRO 56 1HB PRO 56 -6.676 -10.277 -0.477 470 1HG PRO 56 2HG PRO 56 -8.468 -11.336 1.496 471 2HG PRO 56 1HG PRO 56 -7.003 -10.385 1.773 472 1HD PRO 56 2HD PRO 56 -9.730 -9.554 2.142 473 2HD PRO 56 1HD PRO 56 -8.261 -8.592 2.386 474 H GLU 57 H GLU 57 -10.175 -10.860 -0.898 475 HA GLU 57 HA GLU 57 -11.579 -11.704 -2.569 476 1HB GLU 57 2HB GLU 57 -13.269 -10.101 -3.291 477 2HB GLU 57 1HB GLU 57 -12.872 -9.822 -1.599 478 1HG GLU 57 2HG GLU 57 -11.401 -7.956 -2.234 479 2HG GLU 57 1HG GLU 57 -11.748 -8.243 -3.937 480 H ALA 58 H ALA 58 -9.047 -11.618 -3.607 481 HA ALA 58 HA ALA 58 -8.050 -11.932 -5.713 482 1HB ALA 58 1HB ALA 58 -10.593 -12.132 -6.429 483 2HB ALA 58 3HB ALA 58 -10.283 -10.555 -7.153 484 3HB ALA 58 2HB ALA 58 -9.325 -11.952 -7.641 485 H SER 59 H SER 59 -9.158 -8.886 -4.535 486 HA SER 59 HA SER 59 -7.760 -7.258 -6.522 487 1HB SER 59 2HB SER 59 -9.803 -6.683 -4.885 488 2HB SER 59 1HB SER 59 -8.487 -6.169 -3.835 489 HG SER 59 HG SER 59 -9.150 -4.464 -5.169 490 H ALA 60 H ALA 60 -7.221 -8.112 -3.077 491 HA ALA 60 HA ALA 60 -4.659 -6.811 -2.890 492 1HB ALA 60 1HB ALA 60 -6.051 -7.518 -0.918 493 2HB ALA 60 3HB ALA 60 -5.630 -9.191 -1.283 494 3HB ALA 60 2HB ALA 60 -4.372 -8.048 -0.821 495 H PHE 61 H PHE 61 -5.682 -9.950 -4.105 496 HA PHE 61 HA PHE 61 -3.207 -11.346 -4.033 497 1HB PHE 61 2HB PHE 61 -5.730 -11.537 -5.567 498 2HB PHE 61 1HB PHE 61 -4.320 -12.228 -6.367 499 HD1 PHE 61 HD1 PHE 61 -2.749 -13.682 -4.772 500 HD2 PHE 61 HD2 PHE 61 -6.910 -12.879 -4.070 501 HE1 PHE 61 HE1 PHE 61 -2.884 -15.670 -3.294 502 HE2 PHE 61 HE2 PHE 61 -7.045 -14.866 -2.593 503 HZ PHE 61 HZ PHE 61 -5.032 -16.262 -2.205 504 H THR 62 H THR 62 -4.271 -8.689 -6.014 505 HA THR 62 HA THR 62 -2.298 -9.014 -8.132 506 HB THR 62 HB THR 62 -3.698 -6.449 -7.338 507 HG1 THR 62 HG1 THR 62 -5.470 -7.477 -7.739 508 1HG2 THR 62 1HG2 THR 62 -1.829 -6.838 -9.220 509 2HG2 THR 62 3HG2 THR 62 -3.247 -7.327 -10.145 510 3HG2 THR 62 2HG2 THR 62 -3.168 -5.711 -9.446 511 H LYS 63 H LYS 63 -2.608 -6.737 -5.380 512 HA LYS 63 HA LYS 63 0.137 -5.824 -5.749 513 1HB LYS 63 2HB LYS 63 -2.142 -5.093 -3.985 514 2HB LYS 63 1HB LYS 63 -0.517 -4.666 -3.450 515 1HG LYS 63 2HG LYS 63 -0.623 -4.023 -6.199 516 2HG LYS 63 1HG LYS 63 -2.123 -3.421 -5.499 517 1HD LYS 63 2HD LYS 63 -0.766 -2.331 -3.690 518 2HD LYS 63 1HD LYS 63 0.690 -2.812 -4.560 519 1HE LYS 63 2HE LYS 63 -0.945 -1.600 -6.494 520 2HE LYS 63 1HE LYS 63 -1.085 -0.573 -5.068 521 1HZ LYS 63 3HZ LYS 63 1.349 -0.541 -4.935 522 2HZ LYS 63 2HZ LYS 63 1.437 -1.451 -6.366 523 3HZ LYS 63 1HZ LYS 63 0.782 0.117 -6.390 524 H LYS 64 H LYS 64 -1.152 -8.539 -4.128 525 HA LYS 64 HA LYS 64 0.612 -8.523 -1.835 526 1HB LYS 64 2HB LYS 64 -0.075 -10.827 -1.499 527 2HB LYS 64 1HB LYS 64 -1.494 -9.883 -1.950 528 1HG LYS 64 2HG LYS 64 -1.672 -11.790 -3.311 529 2HG LYS 64 1HG LYS 64 -0.919 -10.607 -4.378 530 1HD LYS 64 2HD LYS 64 0.901 -11.886 -4.609 531 2HD LYS 64 1HD LYS 64 1.101 -11.983 -2.859 532 1HE LYS 64 2HE LYS 64 -0.881 -13.710 -3.015 533 2HE LYS 64 1HE LYS 64 -0.375 -13.842 -4.699 534 1HZ LYS 64 3HZ LYS 64 1.424 -14.183 -2.361 535 2HZ LYS 64 2HZ LYS 64 0.730 -15.458 -3.243 536 3HZ LYS 64 1HZ LYS 64 1.836 -14.408 -3.991 537 H MET 65 H MET 65 1.092 -9.113 -5.181 538 HA MET 65 HA MET 65 3.101 -11.088 -5.193 539 1HB MET 65 2HB MET 65 2.001 -9.355 -7.069 540 2HB MET 65 1HB MET 65 3.694 -8.871 -6.997 541 1HG MET 65 2HG MET 65 2.581 -11.615 -7.612 542 2HG MET 65 1HG MET 65 3.567 -10.591 -8.655 543 1HE MET 65 2HE MET 65 4.002 -13.421 -8.310 544 2HE MET 65 1HE MET 65 5.379 -13.964 -7.352 545 3HE MET 65 3HE MET 65 3.796 -13.752 -6.591 546 H LEU 66 H LEU 66 3.232 -7.691 -4.256 547 HA LEU 66 HA LEU 66 6.156 -7.706 -3.996 548 1HB LEU 66 2HB LEU 66 6.000 -5.420 -3.544 549 2HB LEU 66 1HB LEU 66 4.596 -5.675 -4.576 550 HG LEU 66 HG LEU 66 3.602 -6.215 -2.042 551 1HD1 LEU 66 1HD1 LEU 66 5.811 -4.199 -1.907 552 2HD1 LEU 66 3HD1 LEU 66 4.356 -3.905 -0.957 553 3HD1 LEU 66 2HD1 LEU 66 5.296 -5.373 -0.700 554 1HD2 LEU 66 2HD2 LEU 66 3.151 -4.422 -4.159 555 2HD2 LEU 66 1HD2 LEU 66 2.106 -4.684 -2.763 556 3HD2 LEU 66 3HD2 LEU 66 3.319 -3.405 -2.728 557 H GLU 67 H GLU 67 3.497 -8.702 -2.047 558 HA GLU 67 HA GLU 67 4.774 -8.175 0.535 559 1HB GLU 67 2HB GLU 67 2.240 -9.333 -0.463 560 2HB GLU 67 1HB GLU 67 2.850 -10.057 1.024 561 1HG GLU 67 2HG GLU 67 1.369 -8.153 1.504 562 2HG GLU 67 1HG GLU 67 3.011 -7.837 2.053 563 H ASN 68 H ASN 68 4.448 -10.833 -1.737 564 HA ASN 68 HA ASN 68 6.030 -12.609 0.051 565 1HB ASN 68 2HB ASN 68 5.160 -14.439 -1.167 566 2HB ASN 68 1HB ASN 68 3.804 -13.322 -1.033 567 1HD2 ASN 68 2HD2 ASN 68 3.964 -12.421 -4.551 568 2HD2 ASN 68 1HD2 ASN 68 3.618 -11.718 -3.043 569 H ALA 69 H ALA 69 6.503 -10.545 -2.623 570 HA ALA 69 HA ALA 69 8.588 -12.112 -3.956 571 1HB ALA 69 1HB ALA 69 7.648 -9.251 -4.188 572 2HB ALA 69 3HB ALA 69 9.040 -9.858 -5.085 573 3HB ALA 69 2HB ALA 69 7.446 -10.563 -5.350 574 H LYS 70 H LYS 70 10.817 -11.274 -4.155 575 HA LYS 70 HA LYS 70 11.792 -10.123 -1.562 576 1HB LYS 70 2HB LYS 70 12.441 -12.542 -2.194 577 2HB LYS 70 1HB LYS 70 13.435 -11.817 -3.457 578 1HG LYS 70 2HG LYS 70 13.766 -10.571 -0.805 579 2HG LYS 70 1HG LYS 70 14.273 -12.259 -0.877 580 1HD LYS 70 2HD LYS 70 15.960 -11.837 -2.399 581 2HD LYS 70 1HD LYS 70 15.120 -10.456 -3.105 582 1HE LYS 70 2HE LYS 70 15.876 -10.133 -0.263 583 2HE LYS 70 1HE LYS 70 17.231 -10.236 -1.387 584 1HZ LYS 70 3HZ LYS 70 16.206 -8.483 -2.712 585 2HZ LYS 70 2HZ LYS 70 14.927 -8.371 -1.598 586 3HZ LYS 70 1HZ LYS 70 16.506 -7.958 -1.127 587 H LYS 71 H LYS 71 12.355 -10.295 -5.072 588 HA LYS 71 HA LYS 71 14.024 -7.835 -4.974 589 1HB LYS 71 2HB LYS 71 13.359 -9.874 -7.097 590 2HB LYS 71 1HB LYS 71 14.009 -8.299 -7.552 591 1HG LYS 71 2HG LYS 71 15.363 -9.934 -5.415 592 2HG LYS 71 1HG LYS 71 15.678 -10.263 -7.119 593 1HD LYS 71 2HD LYS 71 15.792 -7.407 -6.328 594 2HD LYS 71 1HD LYS 71 17.069 -8.431 -5.672 595 1HE LYS 71 2HE LYS 71 17.472 -9.285 -8.014 596 2HE LYS 71 1HE LYS 71 16.347 -8.055 -8.590 597 1HZ LYS 71 2HZ LYS 71 17.747 -6.359 -7.578 598 2HZ LYS 71 1HZ LYS 71 18.839 -7.550 -7.053 599 3HZ LYS 71 3HZ LYS 71 18.621 -7.273 -8.712 600 H ILE 72 H ILE 72 13.105 -5.828 -5.442 601 HA ILE 72 HA ILE 72 10.459 -5.848 -6.808 602 HB ILE 72 HB ILE 72 11.121 -3.982 -4.522 603 1HG1 ILE 72 2HG1 ILE 72 9.440 -6.486 -4.277 604 2HG1 ILE 72 1HG1 ILE 72 11.145 -6.458 -3.846 605 1HG2 ILE 72 1HG2 ILE 72 8.764 -4.578 -6.232 606 2HG2 ILE 72 3HG2 ILE 72 8.443 -4.248 -4.529 607 3HG2 ILE 72 2HG2 ILE 72 9.281 -3.051 -5.516 608 1HD1 ILE 72 3HD1 ILE 72 9.733 -4.199 -2.687 609 2HD1 ILE 72 2HD1 ILE 72 8.999 -5.729 -2.205 610 3HD1 ILE 72 1HD1 ILE 72 10.707 -5.433 -1.889 611 H GLU 73 H GLU 73 9.921 -3.588 -7.567 612 HA GLU 73 HA GLU 73 12.218 -1.826 -8.028 613 1HB GLU 73 2HB GLU 73 11.037 -3.594 -10.125 614 2HB GLU 73 1HB GLU 73 11.316 -1.918 -10.596 615 1HG GLU 73 2HG GLU 73 13.636 -2.063 -10.200 616 2HG GLU 73 1HG GLU 73 13.467 -3.502 -9.197 617 H VAL 74 H VAL 74 10.620 -0.733 -6.561 618 HA VAL 74 HA VAL 74 7.975 -0.068 -7.219 619 HB VAL 74 HB VAL 74 9.265 2.299 -6.138 620 1HG1 VAL 74 1HG1 VAL 74 6.932 0.736 -5.822 621 2HG1 VAL 74 3HG1 VAL 74 7.720 0.791 -4.246 622 3HG1 VAL 74 2HG1 VAL 74 7.301 2.289 -5.076 623 1HG2 VAL 74 3HG2 VAL 74 9.980 -0.363 -4.917 624 2HG2 VAL 74 2HG2 VAL 74 11.025 1.025 -5.226 625 3HG2 VAL 74 1HG2 VAL 74 9.836 1.089 -3.930 626 H GLU 75 H GLU 75 7.433 0.505 -9.232 627 HA GLU 75 HA GLU 75 9.069 2.446 -10.732 628 1HB GLU 75 2HB GLU 75 6.498 1.037 -11.515 629 2HB GLU 75 1HB GLU 75 7.578 1.916 -12.596 630 1HG GLU 75 2HG GLU 75 9.361 0.200 -11.550 631 2HG GLU 75 1HG GLU 75 7.913 -0.775 -11.360 632 H PHE 76 H PHE 76 8.734 4.399 -9.646 633 HA PHE 76 HA PHE 76 5.980 5.508 -9.870 634 1HB PHE 76 2HB PHE 76 5.995 6.419 -7.669 635 2HB PHE 76 1HB PHE 76 6.501 4.747 -7.496 636 HD1 PHE 76 HD2 PHE 76 9.222 4.498 -7.840 637 HD2 PHE 76 HD1 PHE 76 7.162 7.971 -6.375 638 HE1 PHE 76 HE2 PHE 76 11.285 5.231 -6.694 639 HE2 PHE 76 HE1 PHE 76 9.227 8.698 -5.223 640 HZ PHE 76 HZ PHE 76 11.290 7.336 -5.383 641 H ASP 77 H ASP 77 7.667 6.040 -11.813 642 HA ASP 77 HA ASP 77 8.638 7.777 -13.033 643 1HB ASP 77 2HB ASP 77 6.696 9.039 -11.914 644 2HB ASP 77 1HB ASP 77 7.883 9.610 -10.745 645 H LYS 78 H LYS 78 10.471 9.478 -12.830 646 HA LYS 78 HA LYS 78 12.745 8.335 -11.593 647 1HB LYS 78 2HB LYS 78 13.797 10.607 -11.889 648 2HB LYS 78 1HB LYS 78 13.031 9.982 -13.347 649 1HG LYS 78 2HG LYS 78 11.451 11.617 -13.365 650 2HG LYS 78 1HG LYS 78 11.228 11.550 -11.618 651 1HD LYS 78 2HD LYS 78 13.744 12.721 -12.786 652 2HD LYS 78 1HD LYS 78 12.280 13.698 -12.652 653 1HE LYS 78 2HE LYS 78 12.195 12.954 -10.197 654 2HE LYS 78 1HE LYS 78 13.845 12.378 -10.428 655 1HZ LYS 78 2HZ LYS 78 14.366 14.666 -11.265 656 2HZ LYS 78 1HZ LYS 78 12.837 15.151 -10.704 657 3HZ LYS 78 3HZ LYS 78 13.995 14.570 -9.610 658 H GLY 79 H GLY 79 10.257 10.394 -10.273 659 1HA GLY 79 2HA GLY 79 10.815 9.828 -7.574 660 2HA GLY 79 1HA GLY 79 11.623 11.353 -7.946 661 H GLN 80 H GLN 80 8.582 9.879 -7.232 662 HA GLN 80 HA GLN 80 6.917 12.004 -8.307 663 1HB GLN 80 2HB GLN 80 6.497 9.602 -6.567 664 2HB GLN 80 1HB GLN 80 5.270 10.867 -6.550 665 1HG GLN 80 2HG GLN 80 5.161 10.747 -9.039 666 2HG GLN 80 1HG GLN 80 6.299 9.402 -8.995 667 1HE2 GLN 80 2HE2 GLN 80 3.742 7.404 -7.109 668 2HE2 GLN 80 1HE2 GLN 80 5.290 7.975 -6.732 669 H ARG 81 H ARG 81 5.264 12.661 -6.121 670 HA ARG 81 HA ARG 81 7.145 13.842 -4.152 671 1HB ARG 81 2HB ARG 81 6.389 16.040 -4.519 672 2HB ARG 81 1HB ARG 81 6.663 15.369 -6.124 673 1HG ARG 81 2HG ARG 81 4.463 15.477 -6.681 674 2HG ARG 81 1HG ARG 81 3.934 14.922 -5.094 675 1HD ARG 81 2HD ARG 81 5.035 17.704 -5.519 676 2HD ARG 81 1HD ARG 81 3.324 17.337 -5.742 677 HE ARG 81 HE ARG 81 3.882 16.316 -3.231 678 1HH1 ARG 81 2HH1 ARG 81 5.994 18.356 -2.909 679 2HH1 ARG 81 1HH1 ARG 81 5.123 19.728 -2.312 680 1HH2 ARG 81 1HH2 ARG 81 2.015 18.512 -3.283 681 2HH2 ARG 81 2HH2 ARG 81 2.864 19.817 -2.524 682 H THR 82 H THR 82 4.786 11.781 -4.235 683 HA THR 82 HA THR 82 3.095 13.061 -2.146 684 HB THR 82 HB THR 82 2.082 10.527 -2.556 685 HG1 THR 82 HG1 THR 82 2.639 11.619 -5.107 686 1HG2 THR 82 2HG2 THR 82 1.350 13.184 -3.797 687 2HG2 THR 82 1HG2 THR 82 0.311 11.760 -3.865 688 3HG2 THR 82 3HG2 THR 82 0.714 12.483 -2.308 689 H ASP 83 H ASP 83 3.431 12.511 -0.090 690 HA ASP 83 HA ASP 83 4.384 9.912 0.765 691 1HB ASP 83 2HB ASP 83 6.459 10.977 -0.154 692 2HB ASP 83 1HB ASP 83 6.300 12.231 1.074 693 H LYS 84 H LYS 84 2.151 11.180 1.476 694 HA LYS 84 HA LYS 84 2.431 11.513 4.364 695 1HB LYS 84 2HB LYS 84 2.468 13.845 2.725 696 2HB LYS 84 1HB LYS 84 0.875 13.777 3.478 697 1HG LYS 84 2HG LYS 84 3.094 13.128 5.307 698 2HG LYS 84 1HG LYS 84 3.130 14.780 4.688 699 1HD LYS 84 2HD LYS 84 1.614 15.262 6.294 700 2HD LYS 84 1HD LYS 84 0.449 14.392 5.296 701 1HE LYS 84 2HE LYS 84 0.227 13.236 7.296 702 2HE LYS 84 1HE LYS 84 1.475 12.273 6.509 703 1HZ LYS 84 1HZ LYS 84 2.075 14.537 8.329 704 2HZ LYS 84 3HZ LYS 84 1.957 12.929 8.856 705 3HZ LYS 84 2HZ LYS 84 3.157 13.368 7.735 706 H TYR 85 H TYR 85 0.273 12.202 1.626 707 HA TYR 85 HA TYR 85 -1.862 10.573 2.945 708 1HB TYR 85 2HB TYR 85 -3.515 11.995 1.901 709 2HB TYR 85 1HB TYR 85 -2.349 13.058 2.688 710 HD1 TYR 85 HD2 TYR 85 -0.642 14.271 1.348 711 HD2 TYR 85 HD1 TYR 85 -3.705 11.899 -0.510 712 HE1 TYR 85 HE2 TYR 85 -0.153 15.343 -0.833 713 HE2 TYR 85 HE1 TYR 85 -3.214 12.970 -2.689 714 HH TYR 85 HH TYR 85 -1.702 15.727 -3.083 715 H GLY 86 H GLY 86 -0.151 11.374 -0.052 716 1HA GLY 86 2HA GLY 86 -1.569 9.195 -1.487 717 2HA GLY 86 1HA GLY 86 -0.638 10.479 -2.249 718 H ARG 87 H ARG 87 1.483 9.906 0.003 719 HA ARG 87 HA ARG 87 3.594 8.884 -0.181 720 1HB ARG 87 2HB ARG 87 3.548 6.535 0.363 721 2HB ARG 87 1HB ARG 87 2.252 7.337 1.239 722 1HG ARG 87 2HG ARG 87 1.603 6.181 -1.440 723 2HG ARG 87 1HG ARG 87 1.834 5.066 -0.095 724 1HD ARG 87 2HD ARG 87 -0.003 5.865 1.056 725 2HD ARG 87 1HD ARG 87 0.137 7.476 0.376 726 HE ARG 87 HE ARG 87 -0.510 5.685 -1.755 727 1HH1 ARG 87 1HH2 ARG 87 -2.037 4.793 0.884 728 2HH1 ARG 87 2HH2 ARG 87 -3.584 5.503 0.568 729 1HH2 ARG 87 2HH1 ARG 87 -2.440 7.512 -2.015 730 2HH2 ARG 87 1HH1 ARG 87 -3.814 7.036 -1.078 731 H VAL 88 H VAL 88 3.728 6.116 -1.569 732 HA VAL 88 HA VAL 88 4.636 7.236 -4.100 733 HB VAL 88 HB VAL 88 4.392 4.349 -3.250 734 1HG1 VAL 88 2HG1 VAL 88 5.894 5.810 -5.447 735 2HG1 VAL 88 1HG1 VAL 88 6.342 4.185 -4.931 736 3HG1 VAL 88 3HG1 VAL 88 4.747 4.482 -5.625 737 1HG2 VAL 88 1HG2 VAL 88 6.710 6.307 -3.013 738 2HG2 VAL 88 3HG2 VAL 88 5.774 5.652 -1.670 739 3HG2 VAL 88 2HG2 VAL 88 6.795 4.587 -2.637 740 H LEU 89 H LEU 89 2.740 8.021 -5.088 741 HA LEU 89 HA LEU 89 0.451 6.256 -5.573 742 1HB LEU 89 2HB LEU 89 1.156 9.032 -6.554 743 2HB LEU 89 1HB LEU 89 -0.345 8.201 -6.971 744 HG LEU 89 HG LEU 89 0.615 8.950 -4.202 745 1HD1 LEU 89 1HD1 LEU 89 -1.776 9.762 -5.873 746 2HD1 LEU 89 3HD1 LEU 89 -1.509 10.241 -4.197 747 3HD1 LEU 89 2HD1 LEU 89 -0.396 10.779 -5.456 748 1HD2 LEU 89 3HD2 LEU 89 -1.547 7.091 -5.166 749 2HD2 LEU 89 2HD2 LEU 89 -0.414 6.873 -3.836 750 3HD2 LEU 89 1HD2 LEU 89 -1.770 7.987 -3.666 751 H ALA 90 H ALA 90 2.175 4.687 -6.593 752 HA ALA 90 HA ALA 90 1.903 5.004 -9.520 753 1HB ALA 90 2HB ALA 90 4.124 5.948 -8.925 754 2HB ALA 90 1HB ALA 90 4.562 4.404 -8.193 755 3HB ALA 90 3HB ALA 90 4.256 4.503 -9.927 756 H TYR 91 H TYR 91 4.171 2.603 -8.637 757 HA TYR 91 HA TYR 91 2.251 0.554 -7.899 758 1HB TYR 91 2HB TYR 91 2.867 1.000 -10.724 759 2HB TYR 91 1HB TYR 91 3.095 -0.668 -10.192 760 HD1 TYR 91 HD2 TYR 91 1.189 -1.436 -8.417 761 HD2 TYR 91 HD1 TYR 91 0.716 1.523 -11.491 762 HE1 TYR 91 HE2 TYR 91 -1.257 -1.769 -8.353 763 HE2 TYR 91 HE1 TYR 91 -1.737 1.188 -11.427 764 HH TYR 91 HH TYR 91 -3.224 -1.229 -10.497 765 H ILE 92 H ILE 92 3.168 -1.547 -7.600 766 HA ILE 92 HA ILE 92 6.092 -1.393 -7.005 767 HB ILE 92 HB ILE 92 4.147 -3.528 -6.086 768 1HG1 ILE 92 2HG1 ILE 92 3.432 -1.223 -5.344 769 2HG1 ILE 92 1HG1 ILE 92 3.861 -2.299 -4.017 770 1HG2 ILE 92 1HG2 ILE 92 6.947 -2.680 -5.371 771 2HG2 ILE 92 3HG2 ILE 92 5.955 -3.569 -4.215 772 3HG2 ILE 92 2HG2 ILE 92 6.348 -4.289 -5.775 773 1HD1 ILE 92 3HD1 ILE 92 6.261 -1.255 -4.337 774 2HD1 ILE 92 2HD1 ILE 92 5.364 0.053 -5.103 775 3HD1 ILE 92 1HD1 ILE 92 5.031 -0.380 -3.427 776 H TYR 93 H TYR 93 7.486 -2.972 -7.897 777 HA TYR 93 HA TYR 93 6.221 -4.859 -9.831 778 1HB TYR 93 2HB TYR 93 8.467 -2.906 -10.307 779 2HB TYR 93 1HB TYR 93 8.214 -4.311 -11.346 780 HD1 TYR 93 HD2 TYR 93 6.334 -1.398 -9.855 781 HD2 TYR 93 HD1 TYR 93 6.689 -4.194 -13.089 782 HE1 TYR 93 HE2 TYR 93 4.560 -0.221 -11.079 783 HE2 TYR 93 HE1 TYR 93 4.913 -3.022 -14.313 784 HH TYR 93 HH TYR 93 2.768 -1.233 -13.169 785 H ALA 94 H ALA 94 6.677 -6.279 -7.867 786 HA ALA 94 HA ALA 94 9.474 -7.196 -7.861 787 1HB ALA 94 3HB ALA 94 8.399 -6.300 -5.705 788 2HB ALA 94 2HB ALA 94 7.430 -7.770 -5.716 789 3HB ALA 94 1HB ALA 94 9.186 -7.873 -5.597 790 H ASP 95 H ASP 95 9.832 -9.165 -8.684 791 HA ASP 95 HA ASP 95 9.469 -11.246 -9.700 792 1HB ASP 95 2HB ASP 95 9.294 -11.621 -7.171 793 2HB ASP 95 1HB ASP 95 7.549 -11.706 -7.415 794 H GLY 96 H GLY 96 8.248 -10.189 -11.527 795 1HA GLY 96 2HA GLY 96 6.443 -10.138 -13.033 796 2HA GLY 96 1HA GLY 96 5.903 -11.615 -12.236 797 H LYS 97 H LYS 97 6.320 -8.480 -10.689 798 HA LYS 97 HA LYS 97 3.613 -8.659 -9.690 799 1HB LYS 97 2HB LYS 97 5.243 -7.693 -8.220 800 2HB LYS 97 1HB LYS 97 5.764 -6.553 -9.453 801 1HG LYS 97 2HG LYS 97 4.340 -5.469 -7.750 802 2HG LYS 97 1HG LYS 97 3.594 -5.409 -9.340 803 1HD LYS 97 2HD LYS 97 1.799 -6.538 -8.599 804 2HD LYS 97 1HD LYS 97 2.817 -7.828 -7.969 805 1HE LYS 97 2HE LYS 97 1.634 -6.889 -6.093 806 2HE LYS 97 1HE LYS 97 3.305 -6.341 -5.978 807 1HZ LYS 97 2HZ LYS 97 1.058 -4.790 -7.154 808 2HZ LYS 97 1HZ LYS 97 1.748 -4.522 -5.626 809 3HZ LYS 97 3HZ LYS 97 2.667 -4.262 -7.027 810 H MET 98 H MET 98 4.693 -5.516 -10.849 811 HA MET 98 HA MET 98 3.696 -4.056 -12.375 812 1HB MET 98 2HB MET 98 3.017 -6.519 -14.001 813 2HB MET 98 1HB MET 98 3.345 -4.891 -14.587 814 1HG MET 98 2HG MET 98 5.532 -5.377 -14.778 815 2HG MET 98 1HG MET 98 5.608 -5.788 -13.064 816 1HE MET 98 2HE MET 98 4.066 -6.982 -16.360 817 2HE MET 98 1HE MET 98 5.799 -7.070 -16.663 818 3HE MET 98 3HE MET 98 4.826 -8.547 -16.633 819 H VAL 99 H VAL 99 2.115 -5.791 -10.321 820 HA VAL 99 HA VAL 99 -0.059 -6.149 -9.668 821 HB VAL 99 HB VAL 99 0.410 -3.507 -10.298 822 1HG1 VAL 99 2HG1 VAL 99 -0.962 -4.123 -12.454 823 2HG1 VAL 99 1HG1 VAL 99 -2.348 -4.016 -11.371 824 3HG1 VAL 99 3HG1 VAL 99 -1.297 -2.619 -11.600 825 1HG2 VAL 99 2HG2 VAL 99 -1.381 -5.088 -8.676 826 2HG2 VAL 99 1HG2 VAL 99 -0.693 -3.500 -8.350 827 3HG2 VAL 99 3HG2 VAL 99 -2.207 -3.637 -9.243 828 H ASN 100 H ASN 100 0.874 -7.448 -12.172 829 HA ASN 100 HA ASN 100 -1.265 -7.387 -14.127 830 1HB ASN 100 2HB ASN 100 1.257 -8.839 -13.714 831 2HB ASN 100 1HB ASN 100 0.014 -9.787 -14.528 832 1HD2 ASN 100 2HD2 ASN 100 0.097 -7.844 -17.501 833 2HD2 ASN 100 1HD2 ASN 100 -0.731 -9.048 -16.638 834 H GLU 101 H GLU 101 -1.110 -8.887 -11.037 835 HA GLU 101 HA GLU 101 -2.758 -11.201 -11.739 836 1HB GLU 101 2HB GLU 101 -1.141 -10.494 -9.560 837 2HB GLU 101 1HB GLU 101 -2.782 -10.529 -8.913 838 1HG GLU 101 2HG GLU 101 -2.569 -12.775 -10.620 839 2HG GLU 101 1HG GLU 101 -1.089 -12.747 -9.662 840 H ALA 102 H ALA 102 -3.744 -8.260 -12.128 841 HA ALA 102 HA ALA 102 -6.047 -8.078 -10.334 842 1HB ALA 102 3HB ALA 102 -4.907 -6.061 -11.271 843 2HB ALA 102 2HB ALA 102 -5.463 -6.531 -12.877 844 3HB ALA 102 1HB ALA 102 -6.634 -6.096 -11.632 845 H LEU 103 HN LEU 103 -8.297 -8.032 -11.190 846 HA LEU 103 HA LEU 103 -8.873 -10.373 -12.781 847 1HB LEU 103 2HB LEU 103 -10.560 -8.124 -11.678 848 2HB LEU 103 1HB LEU 103 -11.260 -9.363 -12.721 849 HG LEU 103 HG LEU 103 -9.582 -10.524 -10.632 850 1HD1 LEU 103 2HD1 LEU 103 -11.585 -8.457 -9.904 851 2HD1 LEU 103 1HD1 LEU 103 -11.684 -9.972 -9.006 852 3HD1 LEU 103 3HD1 LEU 103 -10.187 -9.039 -9.001 853 1HD2 LEU 103 2HD2 LEU 103 -11.277 -11.681 -12.093 854 2HD2 LEU 103 1HD2 LEU 103 -11.515 -11.967 -10.370 855 3HD2 LEU 103 3HD2 LEU 103 -12.544 -10.816 -11.223 No H/Q in entry = 855 Start of MODEL 9 Raw file had 866 H/Q atoms Start of MODEL 9 1 1H ALA 1 1H ALA 1 12.081 12.005 -19.721 2 2H ALA 1 3H ALA 1 12.602 13.491 -20.353 3 3H ALA 1 2H ALA 1 13.743 12.324 -19.877 4 HA ALA 1 HA ALA 1 13.070 12.539 -17.578 5 1HB ALA 1 1HB ALA 1 14.863 14.002 -18.438 6 2HB ALA 1 3HB ALA 1 13.658 15.199 -18.918 7 3HB ALA 1 2HB ALA 1 13.908 14.835 -17.210 8 H THR 2 H THR 2 11.104 12.488 -16.601 9 HA THR 2 HA THR 2 9.300 14.833 -16.941 10 HB THR 2 HB THR 2 7.341 13.190 -16.945 11 HG1 THR 2 HG1 THR 2 8.186 11.275 -16.449 12 1HG2 THR 2 2HG2 THR 2 8.226 14.442 -18.954 13 2HG2 THR 2 1HG2 THR 2 9.165 13.003 -19.352 14 3HG2 THR 2 3HG2 THR 2 7.402 12.930 -19.334 15 H SER 3 H SER 3 8.810 15.607 -14.952 16 HA SER 3 HA SER 3 9.227 13.871 -12.591 17 1HB SER 3 2HB SER 3 9.078 15.998 -11.306 18 2HB SER 3 1HB SER 3 10.320 16.059 -12.553 19 HG SER 3 HG SER 3 9.199 17.524 -13.589 20 H THR 4 H THR 4 6.922 13.285 -14.155 21 HA THR 4 HA THR 4 4.837 13.665 -12.109 22 HB THR 4 HB THR 4 4.432 15.613 -13.498 23 HG1 THR 4 HG1 THR 4 2.463 14.985 -13.154 24 1HG2 THR 4 1HG2 THR 4 5.679 14.667 -15.502 25 2HG2 THR 4 3HG2 THR 4 4.208 13.776 -15.891 26 3HG2 THR 4 2HG2 THR 4 4.194 15.538 -15.879 27 H LYS 5 H LYS 5 5.619 12.327 -15.337 28 HA LYS 5 HA LYS 5 4.191 9.828 -14.527 29 1HB LYS 5 2HB LYS 5 4.216 11.173 -17.249 30 2HB LYS 5 1HB LYS 5 3.608 9.544 -16.959 31 1HG LYS 5 2HG LYS 5 1.645 10.346 -16.198 32 2HG LYS 5 1HG LYS 5 2.469 11.397 -15.045 33 1HD LYS 5 2HD LYS 5 1.292 12.888 -16.464 34 2HD LYS 5 1HD LYS 5 2.951 12.932 -17.060 35 1HE LYS 5 2HE LYS 5 2.298 12.171 -19.076 36 2HE LYS 5 1HE LYS 5 1.514 10.776 -18.338 37 1HZ LYS 5 3HZ LYS 5 0.328 13.487 -18.602 38 2HZ LYS 5 2HZ LYS 5 -0.065 12.137 -19.556 39 3HZ LYS 5 1HZ LYS 5 -0.428 12.142 -17.897 40 H LYS 6 H LYS 6 6.113 8.758 -13.942 41 HA LYS 6 HA LYS 6 8.009 8.247 -16.183 42 1HB LYS 6 2HB LYS 6 8.854 9.816 -14.318 43 2HB LYS 6 1HB LYS 6 8.878 8.378 -13.297 44 1HG LYS 6 2HG LYS 6 10.996 8.163 -14.129 45 2HG LYS 6 1HG LYS 6 10.153 7.413 -15.485 46 1HD LYS 6 2HD LYS 6 10.164 10.309 -15.740 47 2HD LYS 6 1HD LYS 6 11.804 9.681 -15.592 48 1HE LYS 6 2HE LYS 6 11.449 8.153 -17.442 49 2HE LYS 6 1HE LYS 6 9.744 8.591 -17.529 50 1HZ LYS 6 1HZ LYS 6 11.961 10.526 -17.905 51 2HZ LYS 6 3HZ LYS 6 11.189 9.723 -19.184 52 3HZ LYS 6 2HZ LYS 6 10.306 10.785 -18.194 53 H LEU 7 H LEU 7 7.242 7.029 -12.886 54 HA LEU 7 HA LEU 7 6.976 4.841 -12.095 55 1HB LEU 7 2HB LEU 7 5.555 4.984 -14.521 56 2HB LEU 7 1HB LEU 7 6.504 3.504 -14.642 57 HG LEU 7 HG LEU 7 5.662 2.954 -12.282 58 1HD1 LEU 7 3HD1 LEU 7 4.868 5.228 -11.728 59 2HD1 LEU 7 2HD1 LEU 7 3.672 5.123 -13.020 60 3HD1 LEU 7 1HD1 LEU 7 3.556 4.054 -11.621 61 1HD2 LEU 7 2HD2 LEU 7 3.654 3.142 -14.551 62 2HD2 LEU 7 1HD2 LEU 7 4.813 1.834 -14.311 63 3HD2 LEU 7 3HD2 LEU 7 3.512 2.085 -13.147 64 H HIS 8 H HIS 8 9.476 5.322 -12.052 65 HA HIS 8 HA HIS 8 11.092 3.768 -13.926 66 1HB HIS 8 2HB HIS 8 11.723 5.963 -12.677 67 2HB HIS 8 1HB HIS 8 12.103 4.905 -11.321 68 HD1 HIS 8 HD1 HIS 8 12.831 4.830 -15.081 69 HD2 HIS 8 HD2 HIS 8 14.758 4.180 -11.441 70 HE1 HIS 8 HE1 HIS 8 15.218 4.195 -15.638 71 H LYS 9 H LYS 9 12.627 3.186 -11.043 72 HA LYS 9 HA LYS 9 11.176 1.014 -9.901 73 1HB LYS 9 2HB LYS 9 12.694 -0.832 -10.862 74 2HB LYS 9 1HB LYS 9 11.413 -0.228 -11.909 75 1HG LYS 9 2HG LYS 9 12.985 1.217 -13.081 76 2HG LYS 9 1HG LYS 9 14.277 0.774 -11.964 77 1HD LYS 9 2HD LYS 9 14.665 -0.605 -13.841 78 2HD LYS 9 1HD LYS 9 13.819 -1.662 -12.712 79 1HE LYS 9 2HE LYS 9 12.754 -1.972 -14.836 80 2HE LYS 9 1HE LYS 9 11.659 -0.978 -13.878 81 1HZ LYS 9 3HZ LYS 9 13.663 0.188 -15.722 82 2HZ LYS 9 2HZ LYS 9 12.093 -0.218 -16.224 83 3HZ LYS 9 1HZ LYS 9 12.323 0.952 -15.014 84 H GLU 10 H GLU 10 12.200 0.362 -8.020 85 HA GLU 10 HA GLU 10 15.091 0.599 -7.647 86 1HB GLU 10 2HB GLU 10 13.186 2.655 -6.611 87 2HB GLU 10 1HB GLU 10 14.429 2.095 -5.495 88 1HG GLU 10 2HG GLU 10 16.007 3.301 -6.550 89 2HG GLU 10 1HG GLU 10 15.583 2.585 -8.103 90 HA PRO 11 HA PRO 11 13.790 -2.987 -5.378 91 1HB PRO 11 2HB PRO 11 16.275 -2.659 -3.866 92 2HB PRO 11 1HB PRO 11 15.737 -4.000 -4.889 93 1HG PRO 11 2HG PRO 11 17.677 -2.098 -5.588 94 2HG PRO 11 1HG PRO 11 16.855 -3.197 -6.703 95 1HD PRO 11 2HD PRO 11 16.546 -0.309 -6.460 96 2HD PRO 11 1HD PRO 11 15.850 -1.399 -7.679 97 H ALA 12 H ALA 12 12.557 -3.146 -3.657 98 HA ALA 12 HA ALA 12 12.798 -1.152 -1.439 99 1HB ALA 12 3HB ALA 12 10.678 -1.476 -3.182 100 2HB ALA 12 2HB ALA 12 10.179 -2.426 -1.783 101 3HB ALA 12 1HB ALA 12 10.586 -0.721 -1.593 102 H THR 13 H THR 13 10.784 -2.549 0.168 103 HA THR 13 HA THR 13 11.925 -5.248 0.569 104 HB THR 13 HB THR 13 13.333 -3.811 1.985 105 HG1 THR 13 HG1 THR 13 12.928 -5.764 2.885 106 1HG2 THR 13 2HG2 THR 13 11.559 -2.007 2.224 107 2HG2 THR 13 1HG2 THR 13 10.810 -3.024 3.455 108 3HG2 THR 13 3HG2 THR 13 12.442 -2.401 3.699 109 H LEU 14 H LEU 14 10.286 -6.629 0.944 110 HA LEU 14 HA LEU 14 7.562 -5.828 1.083 111 1HB LEU 14 2HB LEU 14 8.590 -8.122 0.439 112 2HB LEU 14 1HB LEU 14 8.575 -8.457 2.169 113 HG LEU 14 HG LEU 14 6.156 -7.593 0.574 114 1HD1 LEU 14 3HD1 LEU 14 7.394 -10.231 1.070 115 2HD1 LEU 14 2HD1 LEU 14 5.664 -10.150 1.398 116 3HD1 LEU 14 1HD1 LEU 14 6.278 -9.732 -0.202 117 1HD2 LEU 14 1HD2 LEU 14 6.674 -8.300 3.448 118 2HD2 LEU 14 3HD2 LEU 14 5.655 -7.023 2.780 119 3HD2 LEU 14 2HD2 LEU 14 5.107 -8.698 2.745 120 H ILE 15 H ILE 15 6.707 -4.688 2.781 121 HA ILE 15 HA ILE 15 7.686 -5.358 5.517 122 HB ILE 15 HB ILE 15 6.180 -2.929 4.495 123 1HG1 ILE 15 2HG1 ILE 15 8.938 -3.000 5.714 124 2HG1 ILE 15 1HG1 ILE 15 8.709 -3.320 3.996 125 1HG2 ILE 15 1HG2 ILE 15 7.131 -3.697 7.269 126 2HG2 ILE 15 3HG2 ILE 15 6.703 -2.047 6.819 127 3HG2 ILE 15 2HG2 ILE 15 5.483 -3.319 6.768 128 1HD1 ILE 15 1HD1 ILE 15 7.320 -1.128 3.992 129 2HD1 ILE 15 3HD1 ILE 15 8.112 -0.802 5.532 130 3HD1 ILE 15 2HD1 ILE 15 9.077 -0.996 4.070 131 H LYS 16 H LYS 16 4.548 -4.274 4.132 132 HA LYS 16 HA LYS 16 3.195 -6.633 5.210 133 1HB LYS 16 2HB LYS 16 3.543 -4.920 7.145 134 2HB LYS 16 1HB LYS 16 2.284 -3.988 6.334 135 1HG LYS 16 2HG LYS 16 1.419 -6.709 6.443 136 2HG LYS 16 1HG LYS 16 1.974 -6.253 8.055 137 1HD LYS 16 2HD LYS 16 0.561 -4.193 7.905 138 2HD LYS 16 1HD LYS 16 -0.066 -4.779 6.364 139 1HE LYS 16 2HE LYS 16 -1.268 -6.498 7.347 140 2HE LYS 16 1HE LYS 16 -0.175 -6.615 8.727 141 1HZ LYS 16 3HZ LYS 16 -1.038 -4.499 9.532 142 2HZ LYS 16 2HZ LYS 16 -2.106 -4.415 8.214 143 3HZ LYS 16 1HZ LYS 16 -2.280 -5.644 9.374 144 H ALA 17 H ALA 17 1.960 -7.077 3.453 145 HA ALA 17 HA ALA 17 0.795 -4.880 1.849 146 1HB ALA 17 2HB ALA 17 1.838 -7.063 0.900 147 2HB ALA 17 1HB ALA 17 0.333 -7.830 1.398 148 3HB ALA 17 3HB ALA 17 0.305 -6.524 0.215 149 H ILE 18 H ILE 18 -0.906 -3.995 2.837 150 HA ILE 18 HA ILE 18 -2.802 -5.530 4.442 151 HB ILE 18 HB ILE 18 -2.504 -2.665 3.574 152 1HG1 ILE 18 2HG1 ILE 18 -2.939 -2.993 6.362 153 2HG1 ILE 18 1HG1 ILE 18 -1.817 -4.261 5.870 154 1HG2 ILE 18 1HG2 ILE 18 -4.914 -3.987 4.824 155 2HG2 ILE 18 3HG2 ILE 18 -4.554 -2.286 5.118 156 3HG2 ILE 18 2HG2 ILE 18 -4.860 -2.850 3.476 157 1HD1 ILE 18 2HD1 ILE 18 -0.551 -2.402 4.606 158 2HD1 ILE 18 1HD1 ILE 18 -1.515 -1.271 5.556 159 3HD1 ILE 18 3HD1 ILE 18 -0.427 -2.401 6.364 160 H ASP 19 H ASP 19 -3.186 -3.497 1.508 161 HA ASP 19 HA ASP 19 -4.968 -5.496 0.294 162 1HB ASP 19 2HB ASP 19 -6.050 -3.410 1.860 163 2HB ASP 19 1HB ASP 19 -6.298 -2.919 0.186 164 H GLY 20 H GLY 20 -6.051 -3.636 -1.643 165 1HA GLY 20 2HA GLY 20 -3.943 -3.534 -3.557 166 2HA GLY 20 1HA GLY 20 -5.468 -2.658 -3.696 167 H ASP 21 H ASP 21 -5.599 -0.521 -2.783 168 HA ASP 21 HA ASP 21 -3.436 1.228 -3.149 169 1HB ASP 21 2HB ASP 21 -5.978 1.465 -1.605 170 2HB ASP 21 1HB ASP 21 -4.714 2.628 -1.267 171 H THR 22 H THR 22 -4.343 -0.670 -0.330 172 HA THR 22 HA THR 22 -2.369 0.679 1.298 173 HB THR 22 HB THR 22 -3.717 -1.822 2.195 174 HG1 THR 22 HG1 THR 22 -4.889 0.757 2.048 175 1HG2 THR 22 2HG2 THR 22 -2.027 -0.606 3.583 176 2HG2 THR 22 1HG2 THR 22 -3.098 0.794 3.578 177 3HG2 THR 22 3HG2 THR 22 -3.614 -0.707 4.344 178 H VAL 23 H VAL 23 -0.402 0.154 0.152 179 HA VAL 23 HA VAL 23 0.604 -2.578 0.761 180 HB VAL 23 HB VAL 23 1.911 -2.552 -1.381 181 1HG1 VAL 23 1HG1 VAL 23 -1.107 -2.586 -1.414 182 2HG1 VAL 23 3HG1 VAL 23 -0.156 -3.009 -2.836 183 3HG1 VAL 23 2HG1 VAL 23 0.000 -3.957 -1.358 184 1HG2 VAL 23 1HG2 VAL 23 0.038 -0.260 -2.043 185 2HG2 VAL 23 3HG2 VAL 23 1.783 -0.140 -1.830 186 3HG2 VAL 23 2HG2 VAL 23 1.126 -1.057 -3.181 187 H LYS 24 H LYS 24 2.225 -2.295 2.202 188 HA LYS 24 HA LYS 24 3.689 0.281 2.110 189 1HB LYS 24 2HB LYS 24 2.617 -1.257 4.204 190 2HB LYS 24 1HB LYS 24 4.369 -1.402 4.364 191 1HG LYS 24 2HG LYS 24 4.651 0.966 4.461 192 2HG LYS 24 1HG LYS 24 2.990 1.253 3.945 193 1HD LYS 24 2HD LYS 24 2.449 1.382 6.132 194 2HD LYS 24 1HD LYS 24 2.717 -0.359 6.204 195 1HE LYS 24 2HE LYS 24 5.175 0.153 6.613 196 2HE LYS 24 1HE LYS 24 4.704 1.839 6.821 197 1HZ LYS 24 1HZ LYS 24 3.172 1.132 8.575 198 2HZ LYS 24 3HZ LYS 24 3.702 -0.469 8.400 199 3HZ LYS 24 2HZ LYS 24 4.781 0.727 8.942 200 H LEU 25 H LEU 25 5.824 0.428 1.726 201 HA LEU 25 HA LEU 25 7.643 -1.792 2.037 202 1HB LEU 25 2HB LEU 25 8.321 -2.137 -0.240 203 2HB LEU 25 1HB LEU 25 6.577 -2.322 -0.190 204 HG LEU 25 HG LEU 25 7.090 -1.050 -2.150 205 1HD1 LEU 25 3HD1 LEU 25 5.236 -0.217 -0.543 206 2HD1 LEU 25 2HD1 LEU 25 6.333 1.127 -0.226 207 3HD1 LEU 25 1HD1 LEU 25 5.749 0.833 -1.862 208 1HD2 LEU 25 3HD2 LEU 25 9.276 -0.115 -0.647 209 2HD2 LEU 25 2HD2 LEU 25 8.887 0.280 -2.320 210 3HD2 LEU 25 1HD2 LEU 25 8.308 1.312 -1.013 211 H MET 26 H MET 26 9.852 -1.096 1.939 212 HA MET 26 HA MET 26 10.136 1.795 2.408 213 1HB MET 26 2HB MET 26 11.268 -0.193 3.711 214 2HB MET 26 1HB MET 26 12.452 -0.123 2.406 215 1HG MET 26 2HG MET 26 13.028 2.133 2.913 216 2HG MET 26 1HG MET 26 11.620 2.337 3.954 217 1HE MET 26 2HE MET 26 12.617 3.219 5.843 218 2HE MET 26 1HE MET 26 11.659 1.910 6.528 219 3HE MET 26 3HE MET 26 13.285 2.235 7.143 220 H TYR 27 H TYR 27 10.115 2.922 0.496 221 HA TYR 27 HA TYR 27 11.928 2.005 -1.690 222 1HB TYR 27 2HB TYR 27 10.561 3.110 -3.236 223 2HB TYR 27 1HB TYR 27 9.396 2.497 -2.071 224 HD1 TYR 27 HD2 TYR 27 8.699 4.111 -0.135 225 HD2 TYR 27 HD1 TYR 27 10.629 5.394 -3.755 226 HE1 TYR 27 HE2 TYR 27 7.873 6.418 0.238 227 HE2 TYR 27 HE1 TYR 27 9.800 7.699 -3.381 228 HH TYR 27 HH TYR 27 7.467 8.573 -1.776 229 H LYS 28 H LYS 28 11.305 4.637 0.554 230 HA LYS 28 HA LYS 28 13.911 5.813 -0.182 231 1HB LYS 28 2HB LYS 28 11.475 6.953 -1.023 232 2HB LYS 28 1HB LYS 28 11.998 7.930 0.347 233 1HG LYS 28 2HG LYS 28 13.422 8.977 -1.048 234 2HG LYS 28 1HG LYS 28 14.332 7.470 -1.145 235 1HD LYS 28 2HD LYS 28 12.883 6.731 -3.019 236 2HD LYS 28 1HD LYS 28 12.023 8.269 -2.942 237 1HE LYS 28 2HE LYS 28 13.565 9.105 -4.356 238 2HE LYS 28 1HE LYS 28 14.737 8.971 -3.046 239 1HZ LYS 28 2HZ LYS 28 15.184 6.687 -3.753 240 2HZ LYS 28 1HZ LYS 28 14.102 6.872 -5.050 241 3HZ LYS 28 3HZ LYS 28 15.518 7.803 -4.990 242 H GLY 29 H GLY 29 13.354 4.244 2.039 243 1HA GLY 29 2HA GLY 29 13.687 4.253 4.361 244 2HA GLY 29 1HA GLY 29 14.162 5.945 4.211 245 H GLN 30 H GLN 30 11.049 5.100 2.939 246 HA GLN 30 HA GLN 30 9.690 5.926 5.439 247 1HB GLN 30 2HB GLN 30 8.237 7.494 4.062 248 2HB GLN 30 1HB GLN 30 9.896 8.029 4.310 249 1HG GLN 30 2HG GLN 30 10.318 6.737 2.034 250 2HG GLN 30 1HG GLN 30 8.590 7.001 1.816 251 1HE2 GLN 30 2HE2 GLN 30 9.005 10.388 0.954 252 2HE2 GLN 30 1HE2 GLN 30 7.988 9.029 0.999 253 HA PRO 31 HA PRO 31 7.617 2.286 3.611 254 1HB PRO 31 2HB PRO 31 6.626 1.704 6.230 255 2HB PRO 31 1HB PRO 31 7.919 0.874 5.360 256 1HG PRO 31 2HG PRO 31 8.163 2.641 7.639 257 2HG PRO 31 1HG PRO 31 9.443 1.750 6.805 258 1HD PRO 31 2HD PRO 31 8.913 4.578 6.704 259 2HD PRO 31 1HD PRO 31 10.187 3.678 5.856 260 H MET 32 H MET 32 5.612 2.629 2.696 261 HA MET 32 HA MET 32 3.361 3.583 4.303 262 1HB MET 32 2HB MET 32 2.907 5.576 2.921 263 2HB MET 32 1HB MET 32 4.463 5.714 3.738 264 1HG MET 32 2HG MET 32 5.479 4.714 1.588 265 2HG MET 32 1HG MET 32 3.926 5.078 0.835 266 1HE MET 32 3HE MET 32 2.850 7.093 0.625 267 2HE MET 32 2HE MET 32 2.993 7.910 2.180 268 3HE MET 32 1HE MET 32 3.525 8.726 0.714 269 H THR 33 H THR 33 1.317 3.611 3.011 270 HA THR 33 HA THR 33 1.049 1.338 1.334 271 HB THR 33 HB THR 33 -1.219 2.009 0.983 272 HG1 THR 33 HG1 THR 33 -1.805 4.014 0.832 273 1HG2 THR 33 2HG2 THR 33 -0.480 1.492 3.375 274 2HG2 THR 33 1HG2 THR 33 -0.566 3.230 3.661 275 3HG2 THR 33 3HG2 THR 33 -2.015 2.341 3.192 276 H PHE 34 H PHE 34 0.897 1.275 -0.986 277 HA PHE 34 HA PHE 34 2.158 3.684 -2.214 278 1HB PHE 34 2HB PHE 34 3.003 1.039 -1.825 279 2HB PHE 34 1HB PHE 34 2.783 1.248 -3.558 280 HD1 PHE 34 HD1 PHE 34 4.130 3.119 -0.606 281 HD2 PHE 34 HD2 PHE 34 4.550 2.096 -4.749 282 HE1 PHE 34 HE1 PHE 34 6.261 4.399 -0.707 283 HE2 PHE 34 HE2 PHE 34 6.679 3.374 -4.861 284 HZ PHE 34 HZ PHE 34 7.530 4.525 -2.837 285 H ARG 35 H ARG 35 -0.771 3.276 -2.438 286 HA ARG 35 HA ARG 35 -0.878 3.532 -5.351 287 1HB ARG 35 2HB ARG 35 -3.040 1.764 -4.930 288 2HB ARG 35 1HB ARG 35 -1.613 1.496 -5.917 289 1HG ARG 35 2HG ARG 35 -0.872 1.038 -3.197 290 2HG ARG 35 1HG ARG 35 -2.369 0.182 -3.504 291 1HD ARG 35 2HD ARG 35 -0.356 -1.172 -4.023 292 2HD ARG 35 1HD ARG 35 -1.415 -0.932 -5.423 293 HE ARG 35 HE ARG 35 0.289 1.112 -5.773 294 1HH1 ARG 35 2HH1 ARG 35 0.366 -2.230 -6.085 295 2HH1 ARG 35 1HH1 ARG 35 2.071 -2.339 -6.327 296 1HH2 ARG 35 1HH2 ARG 35 2.634 1.028 -5.589 297 2HH2 ARG 35 2HH2 ARG 35 3.367 -0.451 -6.083 298 H LEU 36 H LEU 36 -2.890 4.359 -6.136 299 HA LEU 36 HA LEU 36 -4.697 5.466 -4.025 300 1HB LEU 36 2HB LEU 36 -2.920 6.975 -5.511 301 2HB LEU 36 1HB LEU 36 -4.412 7.123 -6.438 302 HG LEU 36 HG LEU 36 -4.236 8.907 -4.735 303 1HD1 LEU 36 3HD1 LEU 36 -6.459 7.818 -5.392 304 2HD1 LEU 36 2HD1 LEU 36 -6.364 6.943 -3.863 305 3HD1 LEU 36 1HD1 LEU 36 -6.444 8.706 -3.868 306 1HD2 LEU 36 1HD2 LEU 36 -3.041 7.039 -3.166 307 2HD2 LEU 36 3HD2 LEU 36 -3.760 8.519 -2.533 308 3HD2 LEU 36 2HD2 LEU 36 -4.672 7.010 -2.495 309 H LEU 37 H LEU 37 -4.336 4.312 -7.364 310 HA LEU 37 HA LEU 37 -7.236 4.553 -7.857 311 1HB LEU 37 2HB LEU 37 -6.699 3.760 -10.123 312 2HB LEU 37 1HB LEU 37 -5.662 5.111 -9.672 313 HG LEU 37 HG LEU 37 -4.510 2.542 -8.888 314 1HD1 LEU 37 1HD1 LEU 37 -5.112 3.059 -11.814 315 2HD1 LEU 37 3HD1 LEU 37 -3.945 1.871 -11.237 316 3HD1 LEU 37 2HD1 LEU 37 -5.655 1.684 -10.853 317 1HD2 LEU 37 3HD2 LEU 37 -3.439 4.875 -9.116 318 2HD2 LEU 37 2HD2 LEU 37 -2.533 3.519 -9.785 319 3HD2 LEU 37 1HD2 LEU 37 -3.449 4.580 -10.854 320 H LEU 38 H LEU 38 -5.022 2.132 -6.729 321 HA LEU 38 HA LEU 38 -6.427 -0.204 -7.650 322 1HB LEU 38 2HB LEU 38 -4.031 0.151 -6.482 323 2HB LEU 38 1HB LEU 38 -4.950 -0.299 -5.052 324 HG LEU 38 HG LEU 38 -4.003 -2.309 -6.028 325 1HD1 LEU 38 3HD1 LEU 38 -6.472 -2.206 -5.202 326 2HD1 LEU 38 2HD1 LEU 38 -6.882 -2.371 -6.909 327 3HD1 LEU 38 1HD1 LEU 38 -5.942 -3.627 -6.103 328 1HD2 LEU 38 1HD2 LEU 38 -5.380 -1.383 -8.569 329 2HD2 LEU 38 3HD2 LEU 38 -3.644 -1.549 -8.306 330 3HD2 LEU 38 2HD2 LEU 38 -4.668 -2.982 -8.355 331 H VAL 39 H VAL 39 -6.210 0.492 -4.158 332 HA VAL 39 HA VAL 39 -8.989 -0.433 -3.843 333 HB VAL 39 HB VAL 39 -6.795 0.238 -1.840 334 1HG1 VAL 39 3HG1 VAL 39 -9.771 0.268 -1.420 335 2HG1 VAL 39 2HG1 VAL 39 -8.751 -0.461 -0.180 336 3HG1 VAL 39 1HG1 VAL 39 -8.516 1.227 -0.633 337 1HG2 VAL 39 3HG2 VAL 39 -7.142 -2.046 -2.939 338 2HG2 VAL 39 2HG2 VAL 39 -7.154 -2.034 -1.176 339 3HG2 VAL 39 1HG2 VAL 39 -8.672 -2.135 -2.067 340 H ASP 40 H ASP 40 -10.097 1.223 -4.959 341 HA ASP 40 HA ASP 40 -10.752 3.560 -3.315 342 1HB ASP 40 2HB ASP 40 -8.728 3.790 -5.300 343 2HB ASP 40 1HB ASP 40 -10.157 4.597 -5.942 344 H THR 41 H THR 41 -12.157 1.221 -4.429 345 HA THR 41 HA THR 41 -13.797 2.197 -6.637 346 HB THR 41 HB THR 41 -13.630 -0.328 -5.029 347 HG1 THR 41 HG1 THR 41 -12.444 -0.325 -6.846 348 1HG2 THR 41 2HG2 THR 41 -16.007 0.611 -6.630 349 2HG2 THR 41 1HG2 THR 41 -15.648 -1.104 -6.425 350 3HG2 THR 41 3HG2 THR 41 -15.985 -0.099 -5.015 351 HA PRO 42 HA PRO 42 -17.191 2.197 -3.159 352 1HB PRO 42 2HB PRO 42 -15.918 2.421 -0.599 353 2HB PRO 42 1HB PRO 42 -16.907 1.085 -1.203 354 1HG PRO 42 2HG PRO 42 -14.042 1.137 -0.804 355 2HG PRO 42 1HG PRO 42 -15.045 -0.215 -1.344 356 1HD PRO 42 2HD PRO 42 -13.228 1.358 -2.916 357 2HD PRO 42 1HD PRO 42 -14.264 0.026 -3.463 358 H GLU 43 H GLU 43 -17.286 4.321 -4.110 359 HA GLU 43 HA GLU 43 -16.532 6.504 -2.257 360 1HB GLU 43 2HB GLU 43 -15.612 6.349 -5.144 361 2HB GLU 43 1HB GLU 43 -15.572 7.828 -4.185 362 1HG GLU 43 2HG GLU 43 -14.203 6.503 -2.470 363 2HG GLU 43 1HG GLU 43 -14.030 5.268 -3.718 364 H THR 44 H THR 44 -19.070 5.291 -3.137 365 HA THR 44 HA THR 44 -20.396 7.775 -4.071 366 HB THR 44 HB THR 44 -21.743 6.463 -5.741 367 HG1 THR 44 HG1 THR 44 -21.526 4.394 -5.258 368 1HG2 THR 44 3HG2 THR 44 -19.687 7.814 -6.342 369 2HG2 THR 44 2HG2 THR 44 -18.774 6.306 -6.300 370 3HG2 THR 44 1HG2 THR 44 -20.077 6.515 -7.469 371 H LYS 45 H LYS 45 -22.951 7.116 -4.194 372 HA LYS 45 HA LYS 45 -23.630 6.285 -1.469 373 1HB LYS 45 2HB LYS 45 -25.118 7.380 -3.830 374 2HB LYS 45 1HB LYS 45 -26.036 6.538 -2.582 375 1HG LYS 45 2HG LYS 45 -24.205 8.273 -1.258 376 2HG LYS 45 1HG LYS 45 -24.995 9.210 -2.526 377 1HD LYS 45 2HD LYS 45 -26.456 9.424 -0.683 378 2HD LYS 45 1HD LYS 45 -27.195 8.153 -1.658 379 1HE LYS 45 2HE LYS 45 -25.390 6.788 -0.021 380 2HE LYS 45 1HE LYS 45 -26.099 8.005 1.040 381 1HZ LYS 45 1HZ LYS 45 -27.623 6.109 -0.666 382 2HZ LYS 45 3HZ LYS 45 -27.404 5.966 1.010 383 3HZ LYS 45 2HZ LYS 45 -28.294 7.268 0.380 384 H HIS 46 H HIS 46 -24.222 5.057 -4.767 385 HA HIS 46 HA HIS 46 -24.680 2.350 -3.584 386 1HB HIS 46 2HB HIS 46 -26.169 3.624 -5.908 387 2HB HIS 46 1HB HIS 46 -26.336 1.942 -5.409 388 HD1 HIS 46 HD1 HIS 46 -27.794 1.448 -3.375 389 HD2 HIS 46 HD2 HIS 46 -27.198 5.532 -3.970 390 HE1 HIS 46 HE1 HIS 46 -29.364 2.641 -1.786 391 HA PRO 47 HA PRO 47 -21.131 2.254 -6.508 392 1HB PRO 47 2HB PRO 47 -19.970 0.184 -4.933 393 2HB PRO 47 1HB PRO 47 -19.500 1.888 -4.972 394 1HG PRO 47 2HG PRO 47 -20.868 0.458 -2.851 395 2HG PRO 47 1HG PRO 47 -20.302 2.133 -2.854 396 1HD PRO 47 2HD PRO 47 -23.017 1.182 -3.078 397 2HD PRO 47 1HD PRO 47 -22.445 2.862 -3.061 398 H LYS 48 H LYS 48 -23.338 1.142 -7.511 399 HA LYS 48 HA LYS 48 -24.277 -0.673 -8.655 400 1HB LYS 48 2HB LYS 48 -21.304 -1.176 -8.871 401 2HB LYS 48 1HB LYS 48 -22.489 -2.173 -9.715 402 1HG LYS 48 2HG LYS 48 -23.439 0.159 -10.508 403 2HG LYS 48 1HG LYS 48 -21.810 0.719 -10.132 404 1HD LYS 48 2HD LYS 48 -20.825 -0.837 -11.672 405 2HD LYS 48 1HD LYS 48 -22.355 -1.687 -11.885 406 1HE LYS 48 2HE LYS 48 -23.294 0.528 -12.767 407 2HE LYS 48 1HE LYS 48 -21.622 1.084 -12.843 408 1HZ LYS 48 1HZ LYS 48 -21.103 -0.812 -14.260 409 2HZ LYS 48 3HZ LYS 48 -22.721 -1.319 -14.203 410 3HZ LYS 48 2HZ LYS 48 -22.318 0.153 -14.950 411 H LYS 49 H LYS 49 -24.099 -1.021 -5.752 412 HA LYS 49 HA LYS 49 -24.298 -2.691 -4.119 413 1HB LYS 49 2HB LYS 49 -26.102 -3.255 -5.893 414 2HB LYS 49 1HB LYS 49 -25.016 -4.553 -6.388 415 1HG LYS 49 2HG LYS 49 -26.344 -5.636 -4.802 416 2HG LYS 49 1HG LYS 49 -24.972 -5.119 -3.821 417 1HD LYS 49 2HD LYS 49 -26.427 -2.929 -3.508 418 2HD LYS 49 1HD LYS 49 -27.757 -4.013 -3.915 419 1HE LYS 49 2HE LYS 49 -27.321 -5.428 -2.063 420 2HE LYS 49 1HE LYS 49 -25.717 -4.739 -1.810 421 1HZ LYS 49 1HZ LYS 49 -26.755 -2.643 -1.195 422 2HZ LYS 49 3HZ LYS 49 -28.296 -3.313 -1.429 423 3HZ LYS 49 2HZ LYS 49 -27.294 -3.903 -0.190 424 H GLY 50 H GLY 50 -21.718 -2.423 -4.448 425 1HA GLY 50 2HA GLY 50 -20.459 -4.799 -3.762 426 2HA GLY 50 1HA GLY 50 -20.349 -4.758 -5.521 427 H VAL 51 H VAL 51 -18.416 -4.276 -3.081 428 HA VAL 51 HA VAL 51 -17.051 -1.940 -4.337 429 HB VAL 51 HB VAL 51 -16.365 -1.197 -2.054 430 1HG1 VAL 51 3HG1 VAL 51 -18.365 -0.242 -3.199 431 2HG1 VAL 51 2HG1 VAL 51 -19.368 -1.436 -2.375 432 3HG1 VAL 51 1HG1 VAL 51 -18.506 -0.213 -1.442 433 1HG2 VAL 51 3HG2 VAL 51 -16.653 -3.450 -0.978 434 2HG2 VAL 51 2HG2 VAL 51 -17.441 -2.148 -0.089 435 3HG2 VAL 51 1HG2 VAL 51 -18.400 -3.234 -1.093 436 H GLU 52 H GLU 52 -14.798 -2.034 -2.576 437 HA GLU 52 HA GLU 52 -13.343 -4.271 -3.746 438 1HB GLU 52 2HB GLU 52 -12.672 -1.769 -2.603 439 2HB GLU 52 1HB GLU 52 -11.912 -2.989 -1.583 440 1HG GLU 52 2HG GLU 52 -10.282 -2.728 -3.220 441 2HG GLU 52 1HG GLU 52 -11.223 -4.053 -3.906 442 H LYS 53 H LYS 53 -13.276 -6.285 -2.890 443 HA LYS 53 HA LYS 53 -13.994 -6.633 -0.012 444 1HB LYS 53 2HB LYS 53 -14.249 -8.378 -2.449 445 2HB LYS 53 1HB LYS 53 -14.175 -9.121 -0.850 446 1HG LYS 53 2HG LYS 53 -16.063 -7.680 -0.118 447 2HG LYS 53 1HG LYS 53 -16.163 -7.014 -1.748 448 1HD LYS 53 2HD LYS 53 -16.934 -9.020 -2.665 449 2HD LYS 53 1HD LYS 53 -16.267 -9.991 -1.353 450 1HE LYS 53 2HE LYS 53 -18.535 -10.005 -0.815 451 2HE LYS 53 1HE LYS 53 -17.964 -8.631 0.132 452 1HZ LYS 53 3HZ LYS 53 -19.164 -8.461 -2.581 453 2HZ LYS 53 2HZ LYS 53 -19.972 -8.109 -1.128 454 3HZ LYS 53 1HZ LYS 53 -18.662 -7.151 -1.628 455 H TYR 54 H TYR 54 -11.795 -5.988 0.596 456 HA TYR 54 HA TYR 54 -9.474 -6.308 0.899 457 1HB TYR 54 2HB TYR 54 -9.092 -8.578 2.046 458 2HB TYR 54 1HB TYR 54 -10.275 -7.501 2.780 459 HD1 TYR 54 HD1 TYR 54 -12.682 -7.971 2.631 460 HD2 TYR 54 HD2 TYR 54 -9.779 -10.626 0.900 461 HE1 TYR 54 HE1 TYR 54 -14.417 -9.728 2.411 462 HE2 TYR 54 HE2 TYR 54 -11.517 -12.379 0.677 463 HH TYR 54 HH TYR 54 -14.005 -12.702 2.186 464 H GLY 55 H GLY 55 -9.749 -6.466 -1.772 465 1HA GLY 55 2HA GLY 55 -8.381 -7.196 -3.571 466 2HA GLY 55 1HA GLY 55 -7.713 -8.446 -2.519 467 HA PRO 56 HA PRO 56 -12.113 -9.876 -4.194 468 1HB PRO 56 2HB PRO 56 -12.286 -8.642 -6.796 469 2HB PRO 56 1HB PRO 56 -13.392 -8.470 -5.427 470 1HG PRO 56 2HG PRO 56 -11.518 -6.524 -6.424 471 2HG PRO 56 1HG PRO 56 -12.612 -6.365 -5.044 472 1HD PRO 56 2HD PRO 56 -9.752 -6.685 -4.995 473 2HD PRO 56 1HD PRO 56 -10.853 -6.535 -3.614 474 H GLU 57 H GLU 57 -10.289 -8.996 -7.157 475 HA GLU 57 HA GLU 57 -9.139 -11.708 -7.314 476 1HB GLU 57 2HB GLU 57 -10.024 -11.703 -9.825 477 2HB GLU 57 1HB GLU 57 -11.004 -12.359 -8.518 478 1HG GLU 57 2HG GLU 57 -11.465 -9.518 -8.707 479 2HG GLU 57 1HG GLU 57 -11.679 -10.251 -10.294 480 H ALA 58 H ALA 58 -9.695 -9.024 -9.650 481 HA ALA 58 HA ALA 58 -7.037 -9.134 -10.716 482 1HB ALA 58 1HB ALA 58 -9.004 -6.819 -10.676 483 2HB ALA 58 3HB ALA 58 -7.566 -6.915 -11.693 484 3HB ALA 58 2HB ALA 58 -8.891 -8.053 -11.930 485 H SER 59 H SER 59 -8.533 -7.060 -8.229 486 HA SER 59 HA SER 59 -6.108 -5.585 -7.642 487 1HB SER 59 2HB SER 59 -8.679 -6.001 -6.095 488 2HB SER 59 1HB SER 59 -7.375 -4.962 -5.531 489 HG SER 59 HG SER 59 -9.192 -4.615 -7.593 490 H ALA 60 H ALA 60 -7.596 -8.559 -6.420 491 HA ALA 60 HA ALA 60 -5.957 -8.917 -4.100 492 1HB ALA 60 3HB ALA 60 -8.035 -10.306 -5.278 493 2HB ALA 60 2HB ALA 60 -6.667 -11.392 -5.518 494 3HB ALA 60 1HB ALA 60 -7.099 -10.866 -3.892 495 H PHE 61 H PHE 61 -5.489 -9.906 -7.500 496 HA PHE 61 HA PHE 61 -3.050 -11.373 -7.045 497 1HB PHE 61 2HB PHE 61 -4.019 -9.989 -9.569 498 2HB PHE 61 1HB PHE 61 -2.727 -11.184 -9.490 499 HD1 PHE 61 HD2 PHE 61 -3.984 -13.022 -7.400 500 HD2 PHE 61 HD1 PHE 61 -5.596 -11.167 -10.926 501 HE1 PHE 61 HE2 PHE 61 -5.664 -14.836 -7.588 502 HE2 PHE 61 HE1 PHE 61 -7.273 -12.984 -11.112 503 HZ PHE 61 HZ PHE 61 -7.308 -14.817 -9.443 504 H THR 62 H THR 62 -3.753 -7.965 -7.515 505 HA THR 62 HA THR 62 -0.941 -7.228 -7.933 506 HB THR 62 HB THR 62 -3.386 -5.514 -7.360 507 HG1 THR 62 HG1 THR 62 -3.680 -6.213 -9.349 508 1HG2 THR 62 1HG2 THR 62 -0.503 -4.871 -7.889 509 2HG2 THR 62 3HG2 THR 62 -1.760 -3.769 -8.453 510 3HG2 THR 62 2HG2 THR 62 -1.614 -4.135 -6.734 511 H LYS 63 H LYS 63 -3.244 -7.431 -5.281 512 HA LYS 63 HA LYS 63 -1.511 -6.079 -3.357 513 1HB LYS 63 2HB LYS 63 -3.923 -5.961 -3.064 514 2HB LYS 63 1HB LYS 63 -4.042 -7.719 -3.033 515 1HG LYS 63 2HG LYS 63 -2.128 -6.690 -1.069 516 2HG LYS 63 1HG LYS 63 -3.758 -6.078 -0.814 517 1HD LYS 63 2HD LYS 63 -3.366 -8.999 -1.368 518 2HD LYS 63 1HD LYS 63 -3.056 -8.377 0.253 519 1HE LYS 63 2HE LYS 63 -5.262 -8.214 0.688 520 2HE LYS 63 1HE LYS 63 -5.541 -7.308 -0.799 521 1HZ LYS 63 3HZ LYS 63 -5.285 -10.262 -0.615 522 2HZ LYS 63 2HZ LYS 63 -6.748 -9.413 -0.768 523 3HZ LYS 63 1HZ LYS 63 -5.605 -9.375 -2.024 524 H LYS 64 H LYS 64 -1.840 -9.343 -4.565 525 HA LYS 64 HA LYS 64 -0.664 -10.585 -2.211 526 1HB LYS 64 2HB LYS 64 -0.867 -12.633 -3.413 527 2HB LYS 64 1HB LYS 64 -2.286 -11.690 -3.865 528 1HG LYS 64 2HG LYS 64 -1.513 -12.433 -5.938 529 2HG LYS 64 1HG LYS 64 -0.773 -10.841 -5.810 530 1HD LYS 64 2HD LYS 64 1.229 -11.776 -6.043 531 2HD LYS 64 1HD LYS 64 0.972 -12.628 -4.522 532 1HE LYS 64 2HE LYS 64 -0.221 -14.430 -5.782 533 2HE LYS 64 1HE LYS 64 0.185 -13.602 -7.285 534 1HZ LYS 64 2HZ LYS 64 2.539 -13.797 -6.682 535 2HZ LYS 64 1HZ LYS 64 2.108 -14.675 -5.292 536 3HZ LYS 64 3HZ LYS 64 1.792 -15.317 -6.830 537 H MET 65 H MET 65 0.447 -9.311 -5.322 538 HA MET 65 HA MET 65 3.046 -10.471 -5.346 539 1HB MET 65 2HB MET 65 3.603 -8.893 -6.994 540 2HB MET 65 1HB MET 65 1.857 -9.046 -7.165 541 1HG MET 65 2HG MET 65 1.836 -7.057 -5.417 542 2HG MET 65 1HG MET 65 3.462 -6.779 -6.041 543 1HE MET 65 1HE MET 65 3.907 -7.134 -8.604 544 2HE MET 65 3HE MET 65 2.589 -8.196 -9.117 545 3HE MET 65 2HE MET 65 2.811 -6.628 -9.888 546 H LEU 66 H LEU 66 1.663 -7.915 -3.441 547 HA LEU 66 HA LEU 66 4.220 -6.895 -2.427 548 1HB LEU 66 2HB LEU 66 1.315 -6.351 -1.992 549 2HB LEU 66 1HB LEU 66 2.381 -6.015 -0.636 550 HG LEU 66 HG LEU 66 1.960 -4.070 -2.203 551 1HD1 LEU 66 1HD1 LEU 66 3.942 -4.308 -0.650 552 2HD1 LEU 66 3HD1 LEU 66 4.864 -4.891 -2.035 553 3HD1 LEU 66 2HD1 LEU 66 4.206 -3.255 -2.039 554 1HD2 LEU 66 2HD2 LEU 66 2.200 -5.663 -4.248 555 2HD2 LEU 66 1HD2 LEU 66 2.853 -4.031 -4.364 556 3HD2 LEU 66 3HD2 LEU 66 3.931 -5.391 -4.050 557 H GLU 67 H GLU 67 1.990 -9.470 -1.705 558 HA GLU 67 HA GLU 67 2.843 -9.794 1.081 559 1HB GLU 67 2HB GLU 67 1.038 -11.391 -0.748 560 2HB GLU 67 1HB GLU 67 1.403 -11.879 0.907 561 1HG GLU 67 2HG GLU 67 0.517 -9.740 1.746 562 2HG GLU 67 1HG GLU 67 0.172 -9.229 0.093 563 H ASN 68 H ASN 68 3.761 -11.102 -2.056 564 HA ASN 68 HA ASN 68 5.533 -13.042 -0.601 565 1HB ASN 68 2HB ASN 68 5.168 -14.661 -2.306 566 2HB ASN 68 1HB ASN 68 3.582 -14.018 -1.888 567 1HD2 ASN 68 2HD2 ASN 68 3.307 -12.191 -5.037 568 2HD2 ASN 68 1HD2 ASN 68 2.922 -11.989 -3.390 569 H ALA 69 H ALA 69 5.704 -10.306 -2.591 570 HA ALA 69 HA ALA 69 8.021 -11.188 -4.167 571 1HB ALA 69 3HB ALA 69 6.362 -9.444 -4.932 572 2HB ALA 69 2HB ALA 69 7.071 -8.351 -3.744 573 3HB ALA 69 1HB ALA 69 8.055 -8.980 -5.063 574 H LYS 70 H LYS 70 10.160 -10.646 -3.849 575 HA LYS 70 HA LYS 70 10.844 -9.560 -1.142 576 1HB LYS 70 2HB LYS 70 11.786 -11.863 -2.632 577 2HB LYS 70 1HB LYS 70 13.127 -10.775 -2.272 578 1HG LYS 70 2HG LYS 70 11.122 -11.603 -0.166 579 2HG LYS 70 1HG LYS 70 12.584 -12.534 -0.488 580 1HD LYS 70 2HD LYS 70 13.856 -11.070 0.658 581 2HD LYS 70 1HD LYS 70 13.202 -9.708 -0.253 582 1HE LYS 70 2HE LYS 70 11.361 -10.895 1.744 583 2HE LYS 70 1HE LYS 70 12.776 -10.082 2.410 584 1HZ LYS 70 2HZ LYS 70 12.156 -8.215 0.790 585 2HZ LYS 70 1HZ LYS 70 10.633 -8.965 0.718 586 3HZ LYS 70 3HZ LYS 70 11.225 -8.394 2.200 587 H LYS 71 H LYS 71 12.063 -9.696 -4.509 588 HA LYS 71 HA LYS 71 13.605 -7.199 -4.109 589 1HB LYS 71 2HB LYS 71 13.715 -9.404 -5.936 590 2HB LYS 71 1HB LYS 71 13.418 -7.944 -6.878 591 1HG LYS 71 2HG LYS 71 15.574 -8.113 -4.762 592 2HG LYS 71 1HG LYS 71 15.870 -8.494 -6.458 593 1HD LYS 71 2HD LYS 71 14.557 -6.084 -6.643 594 2HD LYS 71 1HD LYS 71 15.494 -5.876 -5.164 595 1HE LYS 71 2HE LYS 71 16.890 -7.091 -7.503 596 2HE LYS 71 1HE LYS 71 16.537 -5.365 -7.579 597 1HZ LYS 71 1HZ LYS 71 17.938 -6.711 -5.332 598 2HZ LYS 71 3HZ LYS 71 18.706 -5.847 -6.573 599 3HZ LYS 71 2HZ LYS 71 17.666 -5.043 -5.497 600 H ILE 72 H ILE 72 12.538 -5.244 -4.322 601 HA ILE 72 HA ILE 72 10.107 -5.217 -6.050 602 HB ILE 72 HB ILE 72 10.697 -3.772 -3.481 603 1HG1 ILE 72 2HG1 ILE 72 8.206 -5.328 -3.866 604 2HG1 ILE 72 1HG1 ILE 72 9.694 -6.273 -3.802 605 1HG2 ILE 72 2HG2 ILE 72 8.675 -3.255 -5.601 606 2HG2 ILE 72 1HG2 ILE 72 8.162 -3.089 -3.921 607 3HG2 ILE 72 3HG2 ILE 72 9.499 -2.120 -4.535 608 1HD1 ILE 72 1HD1 ILE 72 10.258 -4.880 -1.697 609 2HD1 ILE 72 3HD1 ILE 72 8.552 -4.431 -1.704 610 3HD1 ILE 72 2HD1 ILE 72 9.018 -6.125 -1.542 611 H GLU 73 H GLU 73 10.792 -4.244 -7.876 612 HA GLU 73 HA GLU 73 12.559 -1.885 -7.742 613 1HB GLU 73 2HB GLU 73 11.701 -3.805 -9.804 614 2HB GLU 73 1HB GLU 73 11.688 -2.136 -10.372 615 1HG GLU 73 2HG GLU 73 13.893 -2.970 -10.803 616 2HG GLU 73 1HG GLU 73 14.033 -1.913 -9.398 617 H VAL 74 H VAL 74 10.584 -1.140 -6.294 618 HA VAL 74 HA VAL 74 8.057 -0.478 -7.131 619 HB VAL 74 HB VAL 74 8.923 1.963 -6.017 620 1HG1 VAL 74 2HG1 VAL 74 6.801 0.817 -5.625 621 2HG1 VAL 74 1HG1 VAL 74 7.652 -0.431 -4.712 622 3HG1 VAL 74 3HG1 VAL 74 7.603 1.224 -4.107 623 1HG2 VAL 74 1HG2 VAL 74 10.208 -0.430 -4.679 624 2HG2 VAL 74 3HG2 VAL 74 11.032 0.989 -5.324 625 3HG2 VAL 74 2HG2 VAL 74 9.997 1.139 -3.906 626 H GLU 75 H GLU 75 7.333 0.326 -8.953 627 HA GLU 75 HA GLU 75 8.993 2.278 -10.451 628 1HB GLU 75 2HB GLU 75 6.969 1.797 -12.160 629 2HB GLU 75 1HB GLU 75 8.392 0.772 -12.070 630 1HG GLU 75 2HG GLU 75 6.021 0.193 -10.323 631 2HG GLU 75 1HG GLU 75 6.030 -0.328 -12.004 632 H PHE 76 H PHE 76 8.591 4.171 -9.374 633 HA PHE 76 HA PHE 76 5.769 5.103 -9.286 634 1HB PHE 76 2HB PHE 76 6.669 6.657 -7.434 635 2HB PHE 76 1HB PHE 76 6.471 4.957 -7.022 636 HD1 PHE 76 HD1 PHE 76 9.016 7.423 -8.247 637 HD2 PHE 76 HD2 PHE 76 8.294 3.704 -6.216 638 HE1 PHE 76 HE1 PHE 76 11.420 7.276 -7.657 639 HE2 PHE 76 HE2 PHE 76 10.698 3.559 -5.629 640 HZ PHE 76 HZ PHE 76 12.260 5.345 -6.348 641 H ASP 77 H ASP 77 5.757 7.597 -9.257 642 HA ASP 77 HA ASP 77 7.218 8.522 -11.634 643 1HB ASP 77 2HB ASP 77 5.286 10.080 -9.890 644 2HB ASP 77 1HB ASP 77 5.793 10.481 -11.530 645 H LYS 78 H LYS 78 9.049 9.725 -11.566 646 HA LYS 78 HA LYS 78 10.381 10.277 -9.070 647 1HB LYS 78 2HB LYS 78 12.085 11.382 -10.449 648 2HB LYS 78 1HB LYS 78 11.604 9.856 -11.188 649 1HG LYS 78 2HG LYS 78 9.933 11.226 -12.572 650 2HG LYS 78 1HG LYS 78 10.803 12.654 -12.012 651 1HD LYS 78 2HD LYS 78 12.606 10.567 -12.989 652 2HD LYS 78 1HD LYS 78 11.472 11.110 -14.225 653 1HE LYS 78 2HE LYS 78 12.995 12.778 -14.534 654 2HE LYS 78 1HE LYS 78 12.193 13.500 -13.140 655 1HZ LYS 78 3HZ LYS 78 14.572 11.723 -13.017 656 2HZ LYS 78 2HZ LYS 78 14.604 13.415 -12.871 657 3HZ LYS 78 1HZ LYS 78 13.816 12.473 -11.695 658 H GLY 79 H GLY 79 10.312 12.078 -7.798 659 1HA GLY 79 2HA GLY 79 10.040 14.394 -7.279 660 2HA GLY 79 1HA GLY 79 9.384 14.657 -8.893 661 H GLN 80 H GLN 80 7.552 12.195 -8.321 662 HA GLN 80 HA GLN 80 5.343 13.761 -7.252 663 1HB GLN 80 2HB GLN 80 5.001 12.222 -9.155 664 2HB GLN 80 1HB GLN 80 5.489 10.861 -8.150 665 1HG GLN 80 2HG GLN 80 3.411 12.395 -6.833 666 2HG GLN 80 1HG GLN 80 2.889 11.902 -8.443 667 1HE2 GLN 80 2HE2 GLN 80 2.648 9.180 -5.628 668 2HE2 GLN 80 1HE2 GLN 80 2.521 10.859 -5.427 669 H ARG 81 H ARG 81 6.010 10.362 -6.405 670 HA ARG 81 HA ARG 81 6.284 9.300 -4.339 671 1HB ARG 81 2HB ARG 81 6.911 12.102 -3.357 672 2HB ARG 81 1HB ARG 81 7.104 10.632 -2.405 673 1HG ARG 81 2HG ARG 81 8.762 9.771 -3.936 674 2HG ARG 81 1HG ARG 81 8.464 11.085 -5.075 675 1HD ARG 81 2HD ARG 81 10.452 11.678 -3.872 676 2HD ARG 81 1HD ARG 81 9.160 12.689 -3.227 677 HE ARG 81 HE ARG 81 9.170 10.456 -1.568 678 1HH1 ARG 81 1HH2 ARG 81 12.121 10.384 -2.266 679 2HH1 ARG 81 2HH2 ARG 81 12.799 11.358 -1.003 680 1HH2 ARG 81 2HH1 ARG 81 9.752 12.758 -0.089 681 2HH2 ARG 81 1HH1 ARG 81 11.453 12.707 0.232 682 H THR 82 H THR 82 4.451 12.352 -4.136 683 HA THR 82 HA THR 82 2.120 10.949 -3.008 684 HB THR 82 HB THR 82 1.978 12.539 -1.073 685 HG1 THR 82 HG1 THR 82 4.729 12.985 -1.600 686 1HG2 THR 82 2HG2 THR 82 2.923 10.157 -0.974 687 2HG2 THR 82 1HG2 THR 82 4.516 10.911 -0.928 688 3HG2 THR 82 3HG2 THR 82 3.349 11.238 0.353 689 H ASP 83 H ASP 83 0.282 11.942 -3.812 690 HA ASP 83 HA ASP 83 0.300 13.908 -5.785 691 1HB ASP 83 2HB ASP 83 -1.727 12.621 -5.243 692 2HB ASP 83 1HB ASP 83 -1.858 13.456 -3.695 693 H LYS 84 H LYS 84 -0.528 14.500 -2.392 694 HA LYS 84 HA LYS 84 0.876 17.116 -2.525 695 1HB LYS 84 2HB LYS 84 -1.806 17.098 -2.582 696 2HB LYS 84 1HB LYS 84 -1.594 16.878 -0.844 697 1HG LYS 84 2HG LYS 84 0.234 18.895 -1.565 698 2HG LYS 84 1HG LYS 84 -1.251 19.280 -2.433 699 1HD LYS 84 2HD LYS 84 -2.092 20.113 -0.520 700 2HD LYS 84 1HD LYS 84 -2.057 18.485 0.155 701 1HE LYS 84 2HE LYS 84 -0.708 19.574 1.690 702 2HE LYS 84 1HE LYS 84 0.513 19.067 0.525 703 1HZ LYS 84 1HZ LYS 84 -0.833 21.715 0.575 704 2HZ LYS 84 3HZ LYS 84 0.748 21.402 1.101 705 3HZ LYS 84 2HZ LYS 84 0.351 21.225 -0.541 706 H TYR 85 H TYR 85 1.242 14.230 -1.480 707 HA TYR 85 HA TYR 85 2.726 13.553 0.283 708 1HB TYR 85 2HB TYR 85 2.918 15.919 1.208 709 2HB TYR 85 1HB TYR 85 1.408 15.615 2.078 710 HD1 TYR 85 HD2 TYR 85 4.596 13.746 1.377 711 HD2 TYR 85 HD1 TYR 85 1.662 14.918 4.288 712 HE1 TYR 85 HE2 TYR 85 5.822 12.479 3.118 713 HE2 TYR 85 HE1 TYR 85 2.885 13.647 6.030 714 HH TYR 85 HH TYR 85 4.816 11.367 5.632 715 H GLY 86 H GLY 86 0.221 12.782 -0.774 716 1HA GLY 86 2HA GLY 86 -1.176 11.796 1.644 717 2HA GLY 86 1HA GLY 86 -1.940 12.053 0.082 718 H ARG 87 H ARG 87 0.371 10.763 -1.382 719 HA ARG 87 HA ARG 87 0.581 8.048 -0.398 720 1HB ARG 87 2HB ARG 87 -1.897 8.690 -1.291 721 2HB ARG 87 1HB ARG 87 -1.149 8.066 -2.759 722 1HG ARG 87 2HG ARG 87 -2.079 6.137 -1.724 723 2HG ARG 87 1HG ARG 87 -0.368 6.078 -1.303 724 1HD ARG 87 2HD ARG 87 -2.229 7.534 0.535 725 2HD ARG 87 1HD ARG 87 -2.245 5.775 0.557 726 HE ARG 87 HE ARG 87 0.455 6.431 0.720 727 1HH1 ARG 87 2HH1 ARG 87 -1.641 5.393 2.883 728 2HH1 ARG 87 1HH1 ARG 87 -1.183 6.413 4.205 729 1HH2 ARG 87 1HH2 ARG 87 0.730 8.550 2.244 730 2HH2 ARG 87 2HH2 ARG 87 0.162 8.204 3.843 731 H VAL 88 H VAL 88 1.827 6.729 -1.718 732 HA VAL 88 HA VAL 88 3.198 8.064 -3.971 733 HB VAL 88 HB VAL 88 3.707 5.264 -2.951 734 1HG1 VAL 88 1HG1 VAL 88 5.094 7.285 -4.660 735 2HG1 VAL 88 3HG1 VAL 88 6.109 6.277 -3.629 736 3HG1 VAL 88 2HG1 VAL 88 5.040 5.530 -4.817 737 1HG2 VAL 88 3HG2 VAL 88 4.068 7.779 -1.528 738 2HG2 VAL 88 2HG2 VAL 88 4.335 6.133 -0.960 739 3HG2 VAL 88 1HG2 VAL 88 5.619 6.990 -1.811 740 H LEU 89 H LEU 89 1.113 8.004 -5.235 741 HA LEU 89 HA LEU 89 -0.143 5.583 -6.053 742 1HB LEU 89 2HB LEU 89 -0.868 6.948 -8.086 743 2HB LEU 89 1HB LEU 89 -1.291 7.634 -6.520 744 HG LEU 89 HG LEU 89 1.346 8.526 -7.305 745 1HD1 LEU 89 1HD1 LEU 89 0.404 8.094 -9.598 746 2HD1 LEU 89 3HD1 LEU 89 -0.885 9.238 -9.228 747 3HD1 LEU 89 2HD1 LEU 89 0.789 9.788 -9.293 748 1HD2 LEU 89 2HD2 LEU 89 -0.208 9.589 -5.659 749 2HD2 LEU 89 1HD2 LEU 89 0.341 10.717 -6.899 750 3HD2 LEU 89 3HD2 LEU 89 -1.277 10.022 -6.993 751 H ALA 90 H ALA 90 1.449 4.052 -6.499 752 HA ALA 90 HA ALA 90 2.670 4.227 -9.188 753 1HB ALA 90 3HB ALA 90 4.246 3.761 -6.633 754 2HB ALA 90 2HB ALA 90 4.886 3.514 -8.257 755 3HB ALA 90 1HB ALA 90 4.417 5.128 -7.732 756 H TYR 91 H TYR 91 4.230 1.856 -8.957 757 HA TYR 91 HA TYR 91 2.359 -0.164 -7.896 758 1HB TYR 91 2HB TYR 91 2.949 0.254 -10.771 759 2HB TYR 91 1HB TYR 91 2.762 -1.407 -10.183 760 HD1 TYR 91 HD1 TYR 91 0.778 -1.804 -8.504 761 HD2 TYR 91 HD2 TYR 91 0.989 1.493 -11.251 762 HE1 TYR 91 HE1 TYR 91 -1.656 -1.440 -8.244 763 HE2 TYR 91 HE2 TYR 91 -1.453 1.848 -10.999 764 HH TYR 91 HH TYR 91 -3.522 -0.114 -10.124 765 H ILE 92 H ILE 92 3.226 -2.301 -7.744 766 HA ILE 92 HA ILE 92 6.204 -2.274 -7.403 767 HB ILE 92 HB ILE 92 4.298 -4.154 -5.974 768 1HG1 ILE 92 2HG1 ILE 92 3.507 -1.977 -5.283 769 2HG1 ILE 92 1HG1 ILE 92 4.458 -2.657 -3.976 770 1HG2 ILE 92 2HG2 ILE 92 7.123 -3.765 -6.069 771 2HG2 ILE 92 1HG2 ILE 92 6.560 -3.433 -4.432 772 3HG2 ILE 92 3HG2 ILE 92 6.206 -4.985 -5.189 773 1HD1 ILE 92 2HD1 ILE 92 5.889 -0.947 -5.956 774 2HD1 ILE 92 1HD1 ILE 92 4.820 -0.146 -4.806 775 3HD1 ILE 92 3HD1 ILE 92 6.158 -1.134 -4.223 776 H TYR 93 H TYR 93 7.058 -3.503 -9.064 777 HA TYR 93 HA TYR 93 5.519 -5.903 -9.972 778 1HB TYR 93 2HB TYR 93 7.857 -4.536 -11.342 779 2HB TYR 93 1HB TYR 93 6.844 -5.814 -12.010 780 HD1 TYR 93 HD2 TYR 93 4.284 -4.494 -10.522 781 HD2 TYR 93 HD1 TYR 93 7.266 -3.137 -13.287 782 HE1 TYR 93 HE2 TYR 93 2.749 -2.762 -11.339 783 HE2 TYR 93 HE1 TYR 93 5.733 -1.404 -14.110 784 HH TYR 93 HH TYR 93 2.705 -1.380 -13.916 785 H ALA 94 H ALA 94 6.696 -6.036 -7.557 786 HA ALA 94 HA ALA 94 9.370 -7.093 -7.715 787 1HB ALA 94 3HB ALA 94 8.565 -5.879 -5.725 788 2HB ALA 94 2HB ALA 94 7.335 -7.112 -5.467 789 3HB ALA 94 1HB ALA 94 9.041 -7.521 -5.297 790 H ASP 95 H ASP 95 9.630 -9.064 -8.626 791 HA ASP 95 HA ASP 95 9.285 -11.332 -9.168 792 1HB ASP 95 2HB ASP 95 7.961 -11.129 -6.460 793 2HB ASP 95 1HB ASP 95 8.170 -12.655 -7.314 794 H GLY 96 H GLY 96 7.084 -9.187 -9.726 795 1HA GLY 96 2HA GLY 96 4.914 -11.143 -10.352 796 2HA GLY 96 1HA GLY 96 4.546 -9.540 -9.719 797 H LYS 97 H LYS 97 5.849 -7.789 -10.996 798 HA LYS 97 HA LYS 97 5.730 -6.556 -13.017 799 1HB LYS 97 2HB LYS 97 7.664 -8.289 -13.342 800 2HB LYS 97 1HB LYS 97 6.537 -9.085 -14.439 801 1HG LYS 97 2HG LYS 97 6.328 -7.046 -15.765 802 2HG LYS 97 1HG LYS 97 7.358 -6.174 -14.631 803 1HD LYS 97 2HD LYS 97 8.440 -8.688 -15.830 804 2HD LYS 97 1HD LYS 97 8.348 -7.261 -16.863 805 1HE LYS 97 2HE LYS 97 9.574 -5.967 -15.109 806 2HE LYS 97 1HE LYS 97 9.759 -7.458 -14.187 807 1HZ LYS 97 1HZ LYS 97 10.922 -8.431 -16.078 808 2HZ LYS 97 3HZ LYS 97 10.766 -6.978 -16.940 809 3HZ LYS 97 2HZ LYS 97 11.709 -7.030 -15.528 810 H MET 98 H MET 98 3.375 -8.138 -12.113 811 HA MET 98 HA MET 98 2.008 -8.982 -14.578 812 1HB MET 98 2HB MET 98 0.063 -9.301 -12.927 813 2HB MET 98 1HB MET 98 1.473 -10.327 -12.670 814 1HG MET 98 2HG MET 98 2.257 -8.950 -10.862 815 2HG MET 98 1HG MET 98 1.092 -7.684 -11.236 816 1HE MET 98 2HE MET 98 -1.060 -7.631 -11.085 817 2HE MET 98 1HE MET 98 -1.943 -9.121 -11.411 818 3HE MET 98 3HE MET 98 -2.025 -8.369 -9.811 819 H VAL 99 H VAL 99 1.872 -6.450 -12.117 820 HA VAL 99 HA VAL 99 -0.261 -4.967 -13.411 821 HB VAL 99 HB VAL 99 1.786 -4.194 -11.294 822 1HG1 VAL 99 2HG1 VAL 99 -0.374 -2.683 -12.687 823 2HG1 VAL 99 1HG1 VAL 99 -0.162 -2.410 -10.959 824 3HG1 VAL 99 3HG1 VAL 99 1.176 -2.114 -12.069 825 1HG2 VAL 99 1HG2 VAL 99 -1.141 -4.983 -11.174 826 2HG2 VAL 99 3HG2 VAL 99 0.223 -5.887 -10.515 827 3HG2 VAL 99 2HG2 VAL 99 -0.231 -4.337 -9.808 828 H ASN 100 H ASN 100 3.179 -5.349 -13.701 829 HA ASN 100 HA ASN 100 4.013 -2.940 -14.930 830 1HB ASN 100 2HB ASN 100 5.622 -4.680 -14.427 831 2HB ASN 100 1HB ASN 100 4.808 -5.807 -15.507 832 1HD2 ASN 100 2HD2 ASN 100 7.270 -2.935 -17.090 833 2HD2 ASN 100 1HD2 ASN 100 6.772 -2.812 -15.474 834 H GLU 101 H GLU 101 2.216 -5.664 -16.340 835 HA GLU 101 HA GLU 101 2.352 -5.046 -19.074 836 1HB GLU 101 2HB GLU 101 1.189 -7.035 -18.074 837 2HB GLU 101 1HB GLU 101 -0.135 -5.971 -17.602 838 1HG GLU 101 2HG GLU 101 0.577 -5.614 -20.407 839 2HG GLU 101 1HG GLU 101 0.134 -7.284 -20.057 840 H ALA 102 H ALA 102 0.067 -3.733 -16.649 841 HA ALA 102 HA ALA 102 -1.245 -1.957 -18.517 842 1HB ALA 102 2HB ALA 102 -1.097 -1.953 -15.486 843 2HB ALA 102 1HB ALA 102 -2.110 -0.852 -16.420 844 3HB ALA 102 3HB ALA 102 -2.405 -2.590 -16.483 845 H LEU 103 HN LEU 103 -0.179 -0.313 -19.484 846 HA LEU 103 HA LEU 103 1.020 1.687 -19.716 847 1HB LEU 103 2HB LEU 103 0.148 1.958 -17.207 848 2HB LEU 103 1HB LEU 103 1.859 1.734 -16.845 849 HG LEU 103 HG LEU 103 1.082 3.657 -19.012 850 1HD1 LEU 103 1HD1 LEU 103 1.021 4.261 -16.038 851 2HD1 LEU 103 3HD1 LEU 103 0.888 5.457 -17.327 852 3HD1 LEU 103 2HD1 LEU 103 -0.377 4.246 -17.115 853 1HD2 LEU 103 1HD2 LEU 103 3.312 3.428 -16.969 854 2HD2 LEU 103 3HD2 LEU 103 3.438 3.239 -18.719 855 3HD2 LEU 103 2HD2 LEU 103 3.112 4.827 -18.024 No H/Q in entry = 855 Start of MODEL 10 Raw file had 866 H/Q atoms Start of MODEL 10 1 1H ALA 1 2H ALA 1 18.076 15.518 -23.602 2 2H ALA 1 1H ALA 1 17.504 14.001 -24.114 3 3H ALA 1 3H ALA 1 16.656 14.871 -22.929 4 HA ALA 1 HA ALA 1 17.900 13.083 -21.909 5 1HB ALA 1 2HB ALA 1 20.238 14.477 -23.245 6 2HB ALA 1 1HB ALA 1 20.414 13.250 -21.991 7 3HB ALA 1 3HB ALA 1 19.676 12.832 -23.537 8 H THR 2 H THR 2 17.233 13.924 -19.970 9 HA THR 2 HA THR 2 18.862 16.135 -18.811 10 HB THR 2 HB THR 2 16.783 17.125 -17.831 11 HG1 THR 2 HG1 THR 2 15.440 15.452 -19.683 12 1HG2 THR 2 2HG2 THR 2 17.843 17.913 -19.999 13 2HG2 THR 2 1HG2 THR 2 16.613 16.974 -20.847 14 3HG2 THR 2 3HG2 THR 2 16.137 18.316 -19.806 15 H SER 3 H SER 3 18.861 16.131 -16.453 16 HA SER 3 HA SER 3 18.725 13.432 -15.347 17 1HB SER 3 2HB SER 3 19.458 14.613 -13.218 18 2HB SER 3 1HB SER 3 20.545 14.803 -14.589 19 HG SER 3 HG SER 3 18.906 16.649 -13.314 20 H THR 4 H THR 4 16.488 12.917 -15.432 21 HA THR 4 HA THR 4 14.935 13.874 -13.146 22 HB THR 4 HB THR 4 14.453 15.622 -14.845 23 HG1 THR 4 HG1 THR 4 12.716 15.386 -13.642 24 1HG2 THR 4 1HG2 THR 4 14.806 13.994 -16.794 25 2HG2 THR 4 3HG2 THR 4 13.160 13.442 -16.488 26 3HG2 THR 4 2HG2 THR 4 13.456 15.119 -16.944 27 H LYS 5 H LYS 5 13.259 12.412 -12.607 28 HA LYS 5 HA LYS 5 13.475 9.775 -13.900 29 1HB LYS 5 2HB LYS 5 12.258 10.841 -11.385 30 2HB LYS 5 1HB LYS 5 11.637 9.324 -12.034 31 1HG LYS 5 2HG LYS 5 14.514 9.298 -12.148 32 2HG LYS 5 1HG LYS 5 13.998 9.706 -10.512 33 1HD LYS 5 2HD LYS 5 12.511 7.499 -11.832 34 2HD LYS 5 1HD LYS 5 14.187 7.156 -11.404 35 1HE LYS 5 2HE LYS 5 13.798 7.356 -9.136 36 2HE LYS 5 1HE LYS 5 12.485 8.510 -9.356 37 1HZ LYS 5 3HZ LYS 5 11.333 6.466 -10.464 38 2HZ LYS 5 2HZ LYS 5 12.434 5.580 -9.521 39 3HZ LYS 5 1HZ LYS 5 11.335 6.639 -8.777 40 H LYS 6 H LYS 6 10.934 8.723 -13.691 41 HA LYS 6 HA LYS 6 8.843 10.369 -14.787 42 1HB LYS 6 2HB LYS 6 8.856 9.596 -17.111 43 2HB LYS 6 1HB LYS 6 10.379 10.401 -16.747 44 1HG LYS 6 2HG LYS 6 9.981 7.392 -16.652 45 2HG LYS 6 1HG LYS 6 10.660 8.257 -18.028 46 1HD LYS 6 2HD LYS 6 12.217 9.255 -16.043 47 2HD LYS 6 1HD LYS 6 11.877 7.654 -15.385 48 1HE LYS 6 2HE LYS 6 13.561 6.924 -16.711 49 2HE LYS 6 1HE LYS 6 12.433 7.126 -18.051 50 1HZ LYS 6 2HZ LYS 6 13.214 9.415 -18.294 51 2HZ LYS 6 1HZ LYS 6 14.339 9.170 -17.042 52 3HZ LYS 6 3HZ LYS 6 14.480 8.298 -18.490 53 H LEU 7 H LEU 7 10.251 7.134 -14.530 54 HA LEU 7 HA LEU 7 7.988 5.958 -13.277 55 1HB LEU 7 2HB LEU 7 7.554 6.274 -16.019 56 2HB LEU 7 1HB LEU 7 8.117 4.612 -15.888 57 HG LEU 7 HG LEU 7 5.657 4.742 -15.694 58 1HD1 LEU 7 2HD1 LEU 7 6.961 3.010 -14.441 59 2HD1 LEU 7 1HD1 LEU 7 6.916 4.061 -13.025 60 3HD1 LEU 7 3HD1 LEU 7 5.417 3.409 -13.689 61 1HD2 LEU 7 3HD2 LEU 7 6.237 6.424 -13.234 62 2HD2 LEU 7 2HD2 LEU 7 5.478 6.994 -14.722 63 3HD2 LEU 7 1HD2 LEU 7 4.649 5.818 -13.703 64 H HIS 8 H HIS 8 10.601 5.929 -12.624 65 HA HIS 8 HA HIS 8 11.878 3.478 -13.657 66 1HB HIS 8 2HB HIS 8 13.025 5.784 -13.076 67 2HB HIS 8 1HB HIS 8 13.037 5.128 -11.440 68 HD1 HIS 8 HD1 HIS 8 14.707 3.287 -10.919 69 HD2 HIS 8 HD2 HIS 8 14.532 4.178 -14.988 70 HE1 HIS 8 HE1 HIS 8 16.615 2.028 -12.011 71 H LYS 9 H LYS 9 12.679 1.835 -12.163 72 HA LYS 9 HA LYS 9 10.834 1.459 -9.858 73 1HB LYS 9 2HB LYS 9 12.311 -0.920 -10.667 74 2HB LYS 9 1HB LYS 9 10.577 -0.692 -10.479 75 1HG LYS 9 2HG LYS 9 10.540 -0.973 -12.738 76 2HG LYS 9 1HG LYS 9 11.025 0.719 -12.776 77 1HD LYS 9 2HD LYS 9 12.995 0.170 -13.708 78 2HD LYS 9 1HD LYS 9 13.358 -0.909 -12.363 79 1HE LYS 9 2HE LYS 9 11.770 -2.584 -13.533 80 2HE LYS 9 1HE LYS 9 11.945 -1.550 -14.950 81 1HZ LYS 9 3HZ LYS 9 14.377 -1.802 -14.721 82 2HZ LYS 9 2HZ LYS 9 14.124 -2.915 -13.463 83 3HZ LYS 9 1HZ LYS 9 13.586 -3.269 -15.034 84 H GLU 10 H GLU 10 11.751 0.218 -7.998 85 HA GLU 10 HA GLU 10 14.638 0.138 -7.622 86 1HB GLU 10 2HB GLU 10 14.437 1.685 -5.543 87 2HB GLU 10 1HB GLU 10 14.530 2.453 -7.125 88 1HG GLU 10 2HG GLU 10 11.775 1.843 -6.508 89 2HG GLU 10 1HG GLU 10 12.489 2.760 -5.183 90 HA PRO 11 HA PRO 11 13.114 -3.286 -5.298 91 1HB PRO 11 2HB PRO 11 15.511 -3.094 -3.636 92 2HB PRO 11 1HB PRO 11 15.004 -4.381 -4.740 93 1HG PRO 11 2HG PRO 11 17.053 -2.507 -5.224 94 2HG PRO 11 1HG PRO 11 16.318 -3.583 -6.419 95 1HD PRO 11 2HD PRO 11 16.038 -0.695 -6.181 96 2HD PRO 11 1HD PRO 11 15.424 -1.764 -7.460 97 H ALA 12 H ALA 12 12.067 -3.638 -3.386 98 HA ALA 12 HA ALA 12 12.178 -1.541 -1.262 99 1HB ALA 12 3HB ALA 12 10.190 -1.427 -2.896 100 2HB ALA 12 2HB ALA 12 9.635 -2.898 -2.101 101 3HB ALA 12 1HB ALA 12 9.837 -1.419 -1.170 102 H THR 13 H THR 13 10.019 -3.007 0.218 103 HA THR 13 HA THR 13 11.076 -5.701 0.680 104 HB THR 13 HB THR 13 12.665 -4.443 2.011 105 HG1 THR 13 HG1 THR 13 10.664 -5.300 3.819 106 1HG2 THR 13 3HG2 THR 13 10.579 -2.593 2.237 107 2HG2 THR 13 2HG2 THR 13 10.822 -3.187 3.878 108 3HG2 THR 13 1HG2 THR 13 12.168 -2.478 2.989 109 H LEU 14 H LEU 14 9.265 -6.918 1.048 110 HA LEU 14 HA LEU 14 6.705 -5.683 1.562 111 1HB LEU 14 2HB LEU 14 5.799 -7.909 1.633 112 2HB LEU 14 1HB LEU 14 7.052 -7.918 0.397 113 HG LEU 14 HG LEU 14 8.503 -8.596 2.617 114 1HD1 LEU 14 1HD1 LEU 14 6.091 -8.690 3.720 115 2HD1 LEU 14 3HD1 LEU 14 6.029 -10.264 2.928 116 3HD1 LEU 14 2HD1 LEU 14 7.298 -9.917 4.102 117 1HD2 LEU 14 1HD2 LEU 14 7.100 -10.173 0.487 118 2HD2 LEU 14 3HD2 LEU 14 8.826 -9.903 0.720 119 3HD2 LEU 14 2HD2 LEU 14 7.963 -11.034 1.761 120 H ILE 15 H ILE 15 6.089 -4.868 3.488 121 HA ILE 15 HA ILE 15 7.354 -6.057 5.918 122 HB ILE 15 HB ILE 15 6.114 -3.304 5.674 123 1HG1 ILE 15 2HG1 ILE 15 8.992 -3.312 5.935 124 2HG1 ILE 15 1HG1 ILE 15 8.532 -4.264 4.525 125 1HG2 ILE 15 1HG2 ILE 15 7.665 -4.787 7.781 126 2HG2 ILE 15 3HG2 ILE 15 7.775 -3.030 7.688 127 3HG2 ILE 15 2HG2 ILE 15 6.214 -3.802 7.957 128 1HD1 ILE 15 1HD1 ILE 15 7.503 -1.473 5.100 129 2HD1 ILE 15 3HD1 ILE 15 8.843 -1.832 4.013 130 3HD1 ILE 15 2HD1 ILE 15 7.223 -2.420 3.639 131 H LYS 16 H LYS 16 4.211 -5.050 4.606 132 HA LYS 16 HA LYS 16 2.683 -6.926 6.087 133 1HB LYS 16 2HB LYS 16 3.590 -5.079 7.844 134 2HB LYS 16 1HB LYS 16 2.132 -4.260 7.295 135 1HG LYS 16 2HG LYS 16 1.156 -5.522 8.940 136 2HG LYS 16 1HG LYS 16 1.128 -6.743 7.667 137 1HD LYS 16 2HD LYS 16 3.508 -7.362 8.530 138 2HD LYS 16 1HD LYS 16 3.037 -6.479 9.982 139 1HE LYS 16 2HE LYS 16 1.266 -8.623 8.807 140 2HE LYS 16 1HE LYS 16 2.564 -9.019 9.933 141 1HZ LYS 16 3HZ LYS 16 1.585 -7.434 11.511 142 2HZ LYS 16 2HZ LYS 16 0.300 -7.161 10.434 143 3HZ LYS 16 1HZ LYS 16 0.519 -8.696 11.128 144 H ALA 17 H ALA 17 1.557 -6.971 4.024 145 HA ALA 17 HA ALA 17 0.407 -4.614 2.815 146 1HB ALA 17 3HB ALA 17 0.762 -6.904 1.709 147 2HB ALA 17 2HB ALA 17 -0.694 -7.429 2.553 148 3HB ALA 17 1HB ALA 17 -0.781 -6.118 1.376 149 H ILE 18 H ILE 18 -1.678 -3.787 2.947 150 HA ILE 18 HA ILE 18 -3.081 -4.395 5.486 151 HB ILE 18 HB ILE 18 -3.055 -2.081 3.561 152 1HG1 ILE 18 2HG1 ILE 18 -2.866 -1.262 6.245 153 2HG1 ILE 18 1HG1 ILE 18 -1.905 -2.739 6.144 154 1HG2 ILE 18 3HG2 ILE 18 -5.157 -2.827 5.572 155 2HG2 ILE 18 2HG2 ILE 18 -4.726 -1.126 5.402 156 3HG2 ILE 18 1HG2 ILE 18 -5.340 -2.021 4.014 157 1HD1 ILE 18 3HD1 ILE 18 -1.644 -0.490 4.137 158 2HD1 ILE 18 2HD1 ILE 18 -0.666 -0.573 5.603 159 3HD1 ILE 18 1HD1 ILE 18 -0.547 -1.849 4.390 160 H ASP 19 H ASP 19 -4.449 -3.270 2.364 161 HA ASP 19 HA ASP 19 -5.992 -5.711 1.978 162 1HB ASP 19 2HB ASP 19 -7.306 -4.753 3.794 163 2HB ASP 19 1HB ASP 19 -7.379 -3.199 2.964 164 H GLY 20 H GLY 20 -6.890 -5.774 -0.082 165 1HA GLY 20 2HA GLY 20 -7.304 -5.152 -2.302 166 2HA GLY 20 1HA GLY 20 -7.283 -3.469 -1.767 167 H ASP 21 H ASP 21 -5.526 -2.269 -2.257 168 HA ASP 21 HA ASP 21 -3.011 -3.682 -3.046 169 1HB ASP 21 2HB ASP 21 -4.686 -2.216 -4.772 170 2HB ASP 21 1HB ASP 21 -3.307 -1.168 -4.451 171 H THR 22 H THR 22 -4.205 -1.885 -0.679 172 HA THR 22 HA THR 22 -2.314 0.333 -0.639 173 HB THR 22 HB THR 22 -3.656 -0.630 1.856 174 HG1 THR 22 HG1 THR 22 -5.519 -0.564 0.923 175 1HG2 THR 22 2HG2 THR 22 -2.180 1.413 1.702 176 2HG2 THR 22 1HG2 THR 22 -3.403 2.131 0.656 177 3HG2 THR 22 3HG2 THR 22 -3.800 1.720 2.324 178 H VAL 23 H VAL 23 -0.144 -0.088 -0.217 179 HA VAL 23 HA VAL 23 0.490 -2.145 1.851 180 HB VAL 23 HB VAL 23 2.475 -2.788 0.353 181 1HG1 VAL 23 3HG1 VAL 23 0.314 -4.099 0.751 182 2HG1 VAL 23 2HG1 VAL 23 -0.245 -3.448 -0.789 183 3HG1 VAL 23 1HG1 VAL 23 1.187 -4.476 -0.734 184 1HG2 VAL 23 3HG2 VAL 23 1.743 -0.682 -1.164 185 2HG2 VAL 23 2HG2 VAL 23 2.560 -2.090 -1.839 186 3HG2 VAL 23 1HG2 VAL 23 0.809 -1.943 -1.970 187 H LYS 24 H LYS 24 2.110 -1.606 3.238 188 HA LYS 24 HA LYS 24 3.209 1.107 3.149 189 1HB LYS 24 2HB LYS 24 3.923 0.711 5.366 190 2HB LYS 24 1HB LYS 24 2.425 -0.193 5.230 191 1HG LYS 24 2HG LYS 24 5.195 -1.410 4.941 192 2HG LYS 24 1HG LYS 24 4.223 -1.463 6.398 193 1HD LYS 24 2HD LYS 24 3.583 -3.460 5.504 194 2HD LYS 24 1HD LYS 24 2.410 -2.436 4.689 195 1HE LYS 24 2HE LYS 24 4.235 -2.206 2.842 196 2HE LYS 24 1HE LYS 24 4.959 -3.612 3.591 197 1HZ LYS 24 2HZ LYS 24 2.100 -3.674 2.950 198 2HZ LYS 24 1HZ LYS 24 3.216 -3.844 1.683 199 3HZ LYS 24 3HZ LYS 24 3.228 -4.943 2.971 200 H LEU 25 H LEU 25 4.071 -0.026 0.911 201 HA LEU 25 HA LEU 25 6.591 -1.425 1.163 202 1HB LEU 25 2HB LEU 25 4.907 -1.602 -0.733 203 2HB LEU 25 1HB LEU 25 5.445 -0.014 -1.263 204 HG LEU 25 HG LEU 25 6.515 -2.152 -2.316 205 1HD1 LEU 25 3HD1 LEU 25 7.215 0.384 -2.347 206 2HD1 LEU 25 2HD1 LEU 25 8.526 -0.169 -1.309 207 3HD1 LEU 25 1HD1 LEU 25 8.338 -0.844 -2.926 208 1HD2 LEU 25 1HD2 LEU 25 7.017 -2.960 0.131 209 2HD2 LEU 25 3HD2 LEU 25 8.227 -3.215 -1.125 210 3HD2 LEU 25 2HD2 LEU 25 8.403 -1.877 0.010 211 H MET 26 H MET 26 8.402 -0.397 1.862 212 HA MET 26 HA MET 26 8.741 2.496 1.532 213 1HB MET 26 2HB MET 26 10.907 2.161 2.670 214 2HB MET 26 1HB MET 26 9.606 1.374 3.559 215 1HG MET 26 2HG MET 26 10.246 -0.785 2.793 216 2HG MET 26 1HG MET 26 11.304 -0.116 1.552 217 1HE MET 26 1HE MET 26 10.579 -0.989 5.053 218 2HE MET 26 3HE MET 26 11.985 -0.549 6.033 219 3HE MET 26 2HE MET 26 10.852 0.692 5.504 220 H TYR 27 H TYR 27 9.952 3.494 -0.045 221 HA TYR 27 HA TYR 27 10.833 1.795 -2.269 222 1HB TYR 27 2HB TYR 27 11.545 4.426 -2.927 223 2HB TYR 27 1HB TYR 27 10.131 3.547 -3.495 224 HD1 TYR 27 HD2 TYR 27 7.966 3.700 -2.173 225 HD2 TYR 27 HD1 TYR 27 11.351 6.232 -1.404 226 HE1 TYR 27 HE2 TYR 27 6.507 5.279 -0.936 227 HE2 TYR 27 HE1 TYR 27 9.891 7.811 -0.168 228 HH TYR 27 HH TYR 27 6.961 8.175 -0.408 229 H LYS 28 H LYS 28 12.430 4.547 -0.672 230 HA LYS 28 HA LYS 28 14.755 3.045 0.030 231 1HB LYS 28 2HB LYS 28 14.803 3.259 -2.617 232 2HB LYS 28 1HB LYS 28 15.402 4.877 -2.259 233 1HG LYS 28 2HG LYS 28 17.410 3.735 -2.289 234 2HG LYS 28 1HG LYS 28 16.986 3.525 -0.588 235 1HD LYS 28 2HD LYS 28 15.925 1.345 -1.148 236 2HD LYS 28 1HD LYS 28 16.441 1.546 -2.823 237 1HE LYS 28 2HE LYS 28 18.665 1.965 -1.004 238 2HE LYS 28 1HE LYS 28 17.926 0.387 -0.737 239 1HZ LYS 28 3HZ LYS 28 18.093 -0.031 -3.128 240 2HZ LYS 28 2HZ LYS 28 18.866 1.467 -3.341 241 3HZ LYS 28 1HZ LYS 28 19.615 0.243 -2.432 242 H GLY 29 H GLY 29 13.224 4.770 1.393 243 1HA GLY 29 2HA GLY 29 14.991 6.486 2.684 244 2HA GLY 29 1HA GLY 29 14.336 7.474 1.383 245 H GLN 30 H GLN 30 11.723 5.722 1.799 246 HA GLN 30 HA GLN 30 10.822 6.715 4.408 247 1HB GLN 30 2HB GLN 30 10.690 8.677 2.768 248 2HB GLN 30 1HB GLN 30 9.405 7.777 1.961 249 1HG GLN 30 2HG GLN 30 8.066 7.755 3.979 250 2HG GLN 30 1HG GLN 30 9.384 8.463 4.913 251 1HE2 GLN 30 2HE2 GLN 30 7.269 10.876 2.335 252 2HE2 GLN 30 1HE2 GLN 30 7.267 9.198 2.084 253 HA PRO 31 HA PRO 31 8.622 2.885 3.420 254 1HB PRO 31 2HB PRO 31 7.941 2.695 6.193 255 2HB PRO 31 1HB PRO 31 9.173 1.766 5.329 256 1HG PRO 31 2HG PRO 31 9.579 3.872 7.269 257 2HG PRO 31 1HG PRO 31 10.806 2.909 6.434 258 1HD PRO 31 2HD PRO 31 10.108 5.672 5.972 259 2HD PRO 31 1HD PRO 31 11.350 4.707 5.149 260 H MET 32 H MET 32 6.690 3.517 2.447 261 HA MET 32 HA MET 32 4.645 4.776 4.247 262 1HB MET 32 2HB MET 32 5.415 5.599 1.443 263 2HB MET 32 1HB MET 32 3.896 6.088 2.196 264 1HG MET 32 2HG MET 32 6.460 6.517 3.693 265 2HG MET 32 1HG MET 32 6.032 7.630 2.394 266 1HE MET 32 3HE MET 32 3.501 8.449 2.144 267 2HE MET 32 2HE MET 32 3.048 9.532 3.460 268 3HE MET 32 1HE MET 32 4.652 9.650 2.742 269 H THR 33 H THR 33 2.411 4.463 3.516 270 HA THR 33 HA THR 33 2.084 1.869 2.110 271 HB THR 33 HB THR 33 1.101 2.124 4.404 272 HG1 THR 33 HG1 THR 33 0.097 0.615 3.244 273 1HG2 THR 33 3HG2 THR 33 0.467 4.576 3.971 274 2HG2 THR 33 2HG2 THR 33 -0.927 3.942 3.097 275 3HG2 THR 33 1HG2 THR 33 -0.724 3.587 4.812 276 H PHE 34 H PHE 34 1.184 1.797 0.073 277 HA PHE 34 HA PHE 34 -0.603 3.978 -0.769 278 1HB PHE 34 2HB PHE 34 0.842 4.315 -2.879 279 2HB PHE 34 1HB PHE 34 1.316 5.125 -1.392 280 HD1 PHE 34 HD1 PHE 34 3.091 4.023 0.074 281 HD2 PHE 34 HD2 PHE 34 2.306 2.809 -3.967 282 HE1 PHE 34 HE1 PHE 34 5.323 2.980 -0.043 283 HE2 PHE 34 HE2 PHE 34 4.545 1.767 -4.077 284 HZ PHE 34 HZ PHE 34 6.055 1.843 -2.120 285 H ARG 35 H ARG 35 -0.988 3.653 -3.311 286 HA ARG 35 HA ARG 35 -1.235 0.740 -3.886 287 1HB ARG 35 2HB ARG 35 -3.480 2.738 -4.237 288 2HB ARG 35 1HB ARG 35 -3.553 1.009 -4.567 289 1HG ARG 35 2HG ARG 35 -4.178 0.664 -2.438 290 2HG ARG 35 1HG ARG 35 -2.615 1.280 -1.912 291 1HD ARG 35 2HD ARG 35 -3.501 3.242 -1.223 292 2HD ARG 35 1HD ARG 35 -4.460 3.414 -2.690 293 HE ARG 35 HE ARG 35 -5.746 1.415 -1.247 294 1HH1 ARG 35 2HH1 ARG 35 -6.401 4.494 -1.777 295 2HH1 ARG 35 1HH1 ARG 35 -6.944 4.920 -0.190 296 1HH2 ARG 35 1HH2 ARG 35 -5.756 2.015 1.289 297 2HH2 ARG 35 2HH2 ARG 35 -6.579 3.517 1.548 298 H LEU 36 H LEU 36 -1.966 0.396 -6.215 299 HA LEU 36 HA LEU 36 -0.187 1.708 -8.038 300 1HB LEU 36 2HB LEU 36 -2.769 0.338 -8.856 301 2HB LEU 36 1HB LEU 36 -1.268 0.445 -9.763 302 HG LEU 36 HG LEU 36 -1.654 -1.102 -7.183 303 1HD1 LEU 36 1HD1 LEU 36 -1.399 -1.967 -10.074 304 2HD1 LEU 36 3HD1 LEU 36 -1.264 -3.070 -8.704 305 3HD1 LEU 36 2HD1 LEU 36 -2.779 -2.219 -9.006 306 1HD2 LEU 36 2HD2 LEU 36 0.722 -0.729 -9.027 307 2HD2 LEU 36 1HD2 LEU 36 0.624 -0.330 -7.312 308 3HD2 LEU 36 3HD2 LEU 36 0.625 -2.017 -7.827 309 H LEU 37 H LEU 37 -3.744 1.779 -8.225 310 HA LEU 37 HA LEU 37 -3.622 4.723 -8.744 311 1HB LEU 37 2HB LEU 37 -4.261 3.145 -10.737 312 2HB LEU 37 1HB LEU 37 -5.777 2.918 -9.866 313 HG LEU 37 HG LEU 37 -5.354 5.685 -9.811 314 1HD1 LEU 37 3HD1 LEU 37 -3.597 5.332 -11.557 315 2HD1 LEU 37 2HD1 LEU 37 -4.822 4.605 -12.596 316 3HD1 LEU 37 1HD1 LEU 37 -4.952 6.303 -12.135 317 1HD2 LEU 37 3HD2 LEU 37 -7.045 3.989 -11.679 318 2HD2 LEU 37 2HD2 LEU 37 -7.515 4.546 -10.074 319 3HD2 LEU 37 1HD2 LEU 37 -7.286 5.710 -11.379 320 H LEU 38 H LEU 38 -3.712 4.184 -6.254 321 HA LEU 38 HA LEU 38 -4.866 3.956 -4.253 322 1HB LEU 38 2HB LEU 38 -7.096 5.358 -4.284 323 2HB LEU 38 1HB LEU 38 -5.530 6.149 -4.326 324 HG LEU 38 HG LEU 38 -5.916 5.879 -6.976 325 1HD1 LEU 38 2HD1 LEU 38 -8.134 4.741 -6.563 326 2HD1 LEU 38 1HD1 LEU 38 -8.712 6.253 -5.865 327 3HD1 LEU 38 3HD1 LEU 38 -8.245 6.189 -7.564 328 1HD2 LEU 38 3HD2 LEU 38 -5.663 7.949 -5.381 329 2HD2 LEU 38 2HD2 LEU 38 -6.357 8.174 -6.986 330 3HD2 LEU 38 1HD2 LEU 38 -7.410 8.076 -5.575 331 H VAL 39 H VAL 39 -5.106 1.766 -5.739 332 HA VAL 39 HA VAL 39 -7.450 0.635 -6.579 333 HB VAL 39 HB VAL 39 -5.393 -0.591 -4.718 334 1HG1 VAL 39 3HG1 VAL 39 -7.691 -1.763 -6.290 335 2HG1 VAL 39 2HG1 VAL 39 -6.232 -2.716 -6.017 336 3HG1 VAL 39 1HG1 VAL 39 -7.172 -2.130 -4.645 337 1HG2 VAL 39 2HG2 VAL 39 -5.630 -0.184 -7.695 338 2HG2 VAL 39 1HG2 VAL 39 -4.229 0.041 -6.649 339 3HG2 VAL 39 3HG2 VAL 39 -4.756 -1.586 -7.081 340 H ASP 40 H ASP 40 -6.745 1.316 -3.144 341 HA ASP 40 HA ASP 40 -9.350 0.059 -2.424 342 1HB ASP 40 2HB ASP 40 -6.899 -0.255 -1.254 343 2HB ASP 40 1HB ASP 40 -7.593 1.016 -0.249 344 H THR 41 H THR 41 -9.453 2.578 -3.719 345 HA THR 41 HA THR 41 -10.256 4.385 -1.483 346 HB THR 41 HB THR 41 -9.140 4.937 -4.234 347 HG1 THR 41 HG1 THR 41 -8.506 5.610 -1.567 348 1HG2 THR 41 2HG2 THR 41 -10.972 6.594 -2.583 349 2HG2 THR 41 1HG2 THR 41 -9.591 7.411 -3.317 350 3HG2 THR 41 3HG2 THR 41 -10.752 6.557 -4.333 351 HA PRO 42 HA PRO 42 -14.181 3.111 -3.510 352 1HB PRO 42 2HB PRO 42 -15.517 3.482 -1.029 353 2HB PRO 42 1HB PRO 42 -15.047 1.941 -1.760 354 1HG PRO 42 2HG PRO 42 -13.890 3.249 0.561 355 2HG PRO 42 1HG PRO 42 -13.511 1.654 -0.102 356 1HD PRO 42 2HD PRO 42 -11.923 4.055 -0.266 357 2HD PRO 42 1HD PRO 42 -11.553 2.453 -0.933 358 H GLU 43 H GLU 43 -15.415 4.704 -4.490 359 HA GLU 43 HA GLU 43 -16.152 7.130 -2.988 360 1HB GLU 43 2HB GLU 43 -15.259 8.660 -4.661 361 2HB GLU 43 1HB GLU 43 -13.949 7.642 -4.068 362 1HG GLU 43 2HG GLU 43 -13.676 6.597 -6.077 363 2HG GLU 43 1HG GLU 43 -15.407 6.561 -6.409 364 H THR 44 H THR 44 -17.230 8.593 -5.062 365 HA THR 44 HA THR 44 -19.499 6.872 -5.871 366 HB THR 44 HB THR 44 -19.191 9.867 -6.260 367 HG1 THR 44 HG1 THR 44 -20.333 8.400 -4.114 368 1HG2 THR 44 1HG2 THR 44 -21.601 8.029 -6.177 369 2HG2 THR 44 3HG2 THR 44 -21.668 9.784 -6.334 370 3HG2 THR 44 2HG2 THR 44 -20.943 8.812 -7.613 371 H LYS 45 H LYS 45 -18.268 5.688 -7.493 372 HA LYS 45 HA LYS 45 -18.384 6.959 -10.130 373 1HB LYS 45 2HB LYS 45 -16.053 7.421 -8.930 374 2HB LYS 45 1HB LYS 45 -15.712 5.778 -9.468 375 1HG LYS 45 2HG LYS 45 -15.283 6.561 -11.532 376 2HG LYS 45 1HG LYS 45 -16.947 7.133 -11.646 377 1HD LYS 45 2HD LYS 45 -15.722 9.107 -11.947 378 2HD LYS 45 1HD LYS 45 -16.086 9.152 -10.222 379 1HE LYS 45 2HE LYS 45 -13.794 9.594 -10.221 380 2HE LYS 45 1HE LYS 45 -13.815 7.845 -9.992 381 1HZ LYS 45 2HZ LYS 45 -13.538 9.213 -12.616 382 2HZ LYS 45 1HZ LYS 45 -12.251 8.555 -11.723 383 3HZ LYS 45 3HZ LYS 45 -13.461 7.538 -12.339 384 H HIS 46 H HIS 46 -16.880 4.159 -8.456 385 HA HIS 46 HA HIS 46 -17.971 2.393 -10.595 386 1HB HIS 46 2HB HIS 46 -15.783 2.010 -8.537 387 2HB HIS 46 1HB HIS 46 -16.404 0.688 -9.527 388 HD1 HIS 46 HD1 HIS 46 -14.706 4.068 -9.887 389 HD2 HIS 46 HD2 HIS 46 -15.395 0.621 -12.129 390 HE1 HIS 46 HE1 HIS 46 -13.366 4.321 -12.021 391 HA PRO 47 HA PRO 47 -21.173 1.369 -7.655 392 1HB PRO 47 2HB PRO 47 -21.998 -0.777 -9.383 393 2HB PRO 47 1HB PRO 47 -22.764 0.803 -9.171 394 1HG PRO 47 2HG PRO 47 -21.254 -0.131 -11.444 395 2HG PRO 47 1HG PRO 47 -22.030 1.444 -11.228 396 1HD PRO 47 2HD PRO 47 -19.211 0.842 -11.165 397 2HD PRO 47 1HD PRO 47 -19.994 2.419 -10.948 398 H LYS 48 H LYS 48 -20.476 0.253 -5.875 399 HA LYS 48 HA LYS 48 -19.877 -2.625 -6.122 400 1HB LYS 48 2HB LYS 48 -17.693 -1.277 -6.376 401 2HB LYS 48 1HB LYS 48 -17.898 -0.857 -4.675 402 1HG LYS 48 2HG LYS 48 -17.494 -3.006 -3.949 403 2HG LYS 48 1HG LYS 48 -18.158 -3.738 -5.410 404 1HD LYS 48 2HD LYS 48 -16.148 -2.894 -6.665 405 2HD LYS 48 1HD LYS 48 -15.468 -2.372 -5.123 406 1HE LYS 48 2HE LYS 48 -14.524 -4.487 -5.310 407 2HE LYS 48 1HE LYS 48 -15.989 -4.863 -4.405 408 1HZ LYS 48 1HZ LYS 48 -15.825 -4.974 -7.365 409 2HZ LYS 48 3HZ LYS 48 -15.560 -6.318 -6.366 410 3HZ LYS 48 2HZ LYS 48 -17.078 -5.555 -6.375 411 H LYS 49 H LYS 49 -20.786 -3.673 -4.415 412 HA LYS 49 HA LYS 49 -21.984 -2.089 -2.243 413 1HB LYS 49 2HB LYS 49 -22.430 -4.681 -3.457 414 2HB LYS 49 1HB LYS 49 -22.317 -4.839 -1.705 415 1HG LYS 49 2HG LYS 49 -23.967 -2.613 -2.853 416 2HG LYS 49 1HG LYS 49 -24.631 -4.247 -2.837 417 1HD LYS 49 2HD LYS 49 -24.161 -4.387 -0.396 418 2HD LYS 49 1HD LYS 49 -23.590 -2.718 -0.433 419 1HE LYS 49 2HE LYS 49 -25.779 -1.931 -1.142 420 2HE LYS 49 1HE LYS 49 -26.367 -3.587 -1.284 421 1HZ LYS 49 1HZ LYS 49 -26.002 -3.881 1.089 422 2HZ LYS 49 3HZ LYS 49 -25.450 -2.283 1.222 423 3HZ LYS 49 2HZ LYS 49 -27.065 -2.588 0.796 424 H GLY 50 H GLY 50 -21.554 -2.500 0.019 425 1HA GLY 50 2HA GLY 50 -18.722 -3.057 0.560 426 2HA GLY 50 1HA GLY 50 -19.911 -2.496 1.734 427 H VAL 51 H VAL 51 -18.910 -5.379 -0.103 428 HA VAL 51 HA VAL 51 -19.818 -7.050 2.197 429 HB VAL 51 HB VAL 51 -19.980 -8.347 -0.450 430 1HG1 VAL 51 2HG1 VAL 51 -21.470 -8.266 2.141 431 2HG1 VAL 51 1HG1 VAL 51 -22.328 -8.827 0.707 432 3HG1 VAL 51 3HG1 VAL 51 -20.865 -9.656 1.238 433 1HG2 VAL 51 1HG2 VAL 51 -21.861 -6.089 0.302 434 2HG2 VAL 51 3HG2 VAL 51 -20.875 -6.209 -1.155 435 3HG2 VAL 51 2HG2 VAL 51 -22.235 -7.307 -0.917 436 H GLU 52 H GLU 52 -18.900 -9.505 0.927 437 HA GLU 52 HA GLU 52 -16.026 -9.204 1.450 438 1HB GLU 52 2HB GLU 52 -17.424 -11.163 2.260 439 2HB GLU 52 1HB GLU 52 -17.510 -11.703 0.584 440 1HG GLU 52 2HG GLU 52 -14.822 -11.265 0.853 441 2HG GLU 52 1HG GLU 52 -15.243 -11.798 2.480 442 H LYS 53 H LYS 53 -15.519 -7.849 -0.414 443 HA LYS 53 HA LYS 53 -14.817 -9.439 -2.783 444 1HB LYS 53 2HB LYS 53 -17.266 -8.378 -2.934 445 2HB LYS 53 1HB LYS 53 -16.348 -6.945 -3.397 446 1HG LYS 53 2HG LYS 53 -16.635 -7.947 -5.473 447 2HG LYS 53 1HG LYS 53 -15.094 -8.652 -4.986 448 1HD LYS 53 2HD LYS 53 -16.257 -10.567 -5.597 449 2HD LYS 53 1HD LYS 53 -16.648 -10.489 -3.879 450 1HE LYS 53 2HE LYS 53 -18.728 -9.203 -4.484 451 2HE LYS 53 1HE LYS 53 -18.361 -9.515 -6.181 452 1HZ LYS 53 1HZ LYS 53 -18.774 -11.589 -4.094 453 2HZ LYS 53 3HZ LYS 53 -19.900 -11.151 -5.284 454 3HZ LYS 53 2HZ LYS 53 -18.434 -11.884 -5.733 455 H TYR 54 H TYR 54 -13.302 -8.023 -0.754 456 HA TYR 54 HA TYR 54 -12.310 -5.574 -2.083 457 1HB TYR 54 2HB TYR 54 -12.299 -6.624 0.607 458 2HB TYR 54 1HB TYR 54 -10.649 -6.254 0.111 459 HD1 TYR 54 HD2 TYR 54 -10.957 -3.974 -1.687 460 HD2 TYR 54 HD1 TYR 54 -13.025 -4.863 1.973 461 HE1 TYR 54 HE2 TYR 54 -11.397 -1.558 -1.347 462 HE2 TYR 54 HE1 TYR 54 -13.463 -2.447 2.311 463 HH TYR 54 HH TYR 54 -11.915 -0.108 1.076 464 H GLY 55 H GLY 55 -11.205 -8.863 -1.305 465 1HA GLY 55 2HA GLY 55 -8.809 -8.397 -3.041 466 2HA GLY 55 1HA GLY 55 -8.848 -9.559 -1.715 467 HA PRO 56 HA PRO 56 -11.291 -11.142 -5.646 468 1HB PRO 56 2HB PRO 56 -9.479 -10.662 -7.794 469 2HB PRO 56 1HB PRO 56 -11.061 -9.915 -7.547 470 1HG PRO 56 2HG PRO 56 -8.452 -8.691 -7.275 471 2HG PRO 56 1HG PRO 56 -10.040 -7.931 -7.100 472 1HD PRO 56 2HD PRO 56 -8.164 -8.633 -5.017 473 2HD PRO 56 1HD PRO 56 -9.736 -7.827 -4.850 474 H GLU 57 H GLU 57 -9.862 -12.562 -7.675 475 HA GLU 57 HA GLU 57 -7.942 -14.203 -6.066 476 1HB GLU 57 2HB GLU 57 -9.890 -15.558 -6.330 477 2HB GLU 57 1HB GLU 57 -10.096 -15.065 -8.012 478 1HG GLU 57 2HG GLU 57 -8.224 -16.323 -8.733 479 2HG GLU 57 1HG GLU 57 -7.613 -16.509 -7.086 480 H ALA 58 H ALA 58 -8.952 -13.964 -9.498 481 HA ALA 58 HA ALA 58 -6.270 -14.375 -10.486 482 1HB ALA 58 2HB ALA 58 -8.279 -14.942 -11.826 483 2HB ALA 58 1HB ALA 58 -8.706 -13.233 -11.896 484 3HB ALA 58 3HB ALA 58 -7.238 -13.807 -12.684 485 H SER 59 H SER 59 -8.304 -11.544 -9.846 486 HA SER 59 HA SER 59 -6.329 -9.667 -10.919 487 1HB SER 59 2HB SER 59 -8.980 -9.408 -9.521 488 2HB SER 59 1HB SER 59 -7.927 -8.005 -9.675 489 HG SER 59 HG SER 59 -8.252 -7.984 -11.777 490 H ALA 60 H ALA 60 -6.999 -11.189 -7.836 491 HA ALA 60 HA ALA 60 -5.642 -9.196 -6.198 492 1HB ALA 60 3HB ALA 60 -6.497 -12.054 -5.715 493 2HB ALA 60 2HB ALA 60 -5.641 -11.107 -4.498 494 3HB ALA 60 1HB ALA 60 -7.221 -10.580 -5.075 495 H PHE 61 H PHE 61 -4.538 -11.752 -8.252 496 HA PHE 61 HA PHE 61 -2.128 -12.488 -6.923 497 1HB PHE 61 2HB PHE 61 -1.562 -13.579 -8.892 498 2HB PHE 61 1HB PHE 61 -3.306 -13.447 -9.073 499 HD1 PHE 61 HD1 PHE 61 -3.797 -10.737 -9.962 500 HD2 PHE 61 HD2 PHE 61 -0.546 -13.360 -10.954 501 HE1 PHE 61 HE1 PHE 61 -3.461 -9.515 -12.093 502 HE2 PHE 61 HE2 PHE 61 -0.207 -12.136 -13.085 503 HZ PHE 61 HZ PHE 61 -1.665 -10.213 -13.654 504 H THR 62 H THR 62 -2.993 -9.590 -8.626 505 HA THR 62 HA THR 62 -0.248 -8.680 -9.066 506 HB THR 62 HB THR 62 -2.985 -7.724 -9.667 507 HG1 THR 62 HG1 THR 62 -0.442 -7.643 -10.897 508 1HG2 THR 62 1HG2 THR 62 -0.801 -5.840 -8.835 509 2HG2 THR 62 3HG2 THR 62 -1.904 -5.375 -10.130 510 3HG2 THR 62 2HG2 THR 62 -2.534 -5.744 -8.526 511 H LYS 63 H LYS 63 -2.889 -7.950 -6.777 512 HA LYS 63 HA LYS 63 -1.460 -5.900 -5.361 513 1HB LYS 63 2HB LYS 63 -3.276 -5.838 -3.918 514 2HB LYS 63 1HB LYS 63 -4.011 -6.515 -5.366 515 1HG LYS 63 2HG LYS 63 -3.388 -8.821 -4.304 516 2HG LYS 63 1HG LYS 63 -3.263 -7.906 -2.804 517 1HD LYS 63 2HD LYS 63 -5.646 -7.008 -3.944 518 2HD LYS 63 1HD LYS 63 -5.644 -8.740 -4.269 519 1HE LYS 63 2HE LYS 63 -4.838 -7.866 -1.533 520 2HE LYS 63 1HE LYS 63 -6.547 -7.741 -1.953 521 1HZ LYS 63 2HZ LYS 63 -4.895 -10.192 -2.246 522 2HZ LYS 63 1HZ LYS 63 -5.984 -9.896 -0.976 523 3HZ LYS 63 3HZ LYS 63 -6.559 -10.058 -2.563 524 H LYS 64 H LYS 64 -1.688 -9.418 -4.881 525 HA LYS 64 HA LYS 64 -0.106 -9.341 -2.428 526 1HB LYS 64 2HB LYS 64 -1.178 -11.551 -4.180 527 2HB LYS 64 1HB LYS 64 -0.046 -11.892 -2.874 528 1HG LYS 64 2HG LYS 64 -2.836 -10.770 -2.696 529 2HG LYS 64 1HG LYS 64 -2.157 -12.169 -1.867 530 1HD LYS 64 2HD LYS 64 -0.563 -10.475 -0.734 531 2HD LYS 64 1HD LYS 64 -1.695 -9.244 -1.297 532 1HE LYS 64 2HE LYS 64 -3.538 -10.614 -0.188 533 2HE LYS 64 1HE LYS 64 -2.256 -11.556 0.573 534 1HZ LYS 64 2HZ LYS 64 -2.582 -8.611 0.795 535 2HZ LYS 64 1HZ LYS 64 -3.014 -9.739 1.989 536 3HZ LYS 64 3HZ LYS 64 -1.386 -9.544 1.559 537 H MET 65 H MET 65 0.603 -9.218 -5.768 538 HA MET 65 HA MET 65 2.933 -10.725 -6.086 539 1HB MET 65 2HB MET 65 1.667 -9.099 -7.725 540 2HB MET 65 1HB MET 65 2.848 -7.920 -7.154 541 1HG MET 65 2HG MET 65 3.670 -9.063 -9.176 542 2HG MET 65 1HG MET 65 4.681 -9.450 -7.786 543 1HE MET 65 2HE MET 65 5.051 -11.436 -6.772 544 2HE MET 65 1HE MET 65 4.742 -13.021 -7.473 545 3HE MET 65 3HE MET 65 5.703 -11.830 -8.359 546 H LEU 66 H LEU 66 2.583 -7.565 -4.468 547 HA LEU 66 HA LEU 66 5.485 -7.517 -3.909 548 1HB LEU 66 2HB LEU 66 5.227 -5.268 -3.282 549 2HB LEU 66 1HB LEU 66 4.049 -5.457 -4.576 550 HG LEU 66 HG LEU 66 2.651 -6.190 -2.256 551 1HD1 LEU 66 1HD1 LEU 66 4.738 -5.005 -1.157 552 2HD1 LEU 66 3HD1 LEU 66 3.924 -3.529 -1.675 553 3HD1 LEU 66 2HD1 LEU 66 3.116 -4.640 -0.571 554 1HD2 LEU 66 2HD2 LEU 66 2.061 -4.739 -4.352 555 2HD2 LEU 66 1HD2 LEU 66 1.262 -4.376 -2.823 556 3HD2 LEU 66 3HD2 LEU 66 2.616 -3.387 -3.367 557 H GLU 67 H GLU 67 2.701 -8.777 -2.413 558 HA GLU 67 HA GLU 67 3.629 -8.335 0.341 559 1HB GLU 67 2HB GLU 67 1.328 -8.455 0.365 560 2HB GLU 67 1HB GLU 67 1.265 -9.544 -1.015 561 1HG GLU 67 2HG GLU 67 0.632 -10.988 0.664 562 2HG GLU 67 1HG GLU 67 2.373 -11.239 0.702 563 H ASN 68 H ASN 68 3.587 -10.889 -2.078 564 HA ASN 68 HA ASN 68 4.933 -12.784 -0.245 565 1HB ASN 68 2HB ASN 68 4.342 -14.477 -1.766 566 2HB ASN 68 1HB ASN 68 2.985 -13.358 -1.849 567 1HD2 ASN 68 2HD2 ASN 68 3.936 -12.161 -5.159 568 2HD2 ASN 68 1HD2 ASN 68 3.267 -11.586 -3.706 569 H ALA 69 H ALA 69 5.677 -10.922 -3.182 570 HA ALA 69 HA ALA 69 8.157 -12.260 -3.798 571 1HB ALA 69 3HB ALA 69 7.027 -9.560 -4.495 572 2HB ALA 69 2HB ALA 69 8.627 -10.059 -5.038 573 3HB ALA 69 1HB ALA 69 7.199 -10.970 -5.533 574 H LYS 70 H LYS 70 10.320 -11.379 -3.551 575 HA LYS 70 HA LYS 70 10.646 -9.986 -0.928 576 1HB LYS 70 2HB LYS 70 13.111 -10.788 -1.265 577 2HB LYS 70 1HB LYS 70 11.894 -11.963 -0.777 578 1HG LYS 70 2HG LYS 70 12.218 -11.613 -3.706 579 2HG LYS 70 1HG LYS 70 13.589 -12.338 -2.871 580 1HD LYS 70 2HD LYS 70 10.778 -13.313 -2.373 581 2HD LYS 70 1HD LYS 70 11.724 -13.922 -3.731 582 1HE LYS 70 2HE LYS 70 13.240 -13.883 -1.223 583 2HE LYS 70 1HE LYS 70 11.810 -14.910 -1.141 584 1HZ LYS 70 1HZ LYS 70 12.533 -16.011 -3.172 585 2HZ LYS 70 3HZ LYS 70 13.915 -15.030 -3.234 586 3HZ LYS 70 2HZ LYS 70 13.717 -16.135 -1.960 587 H LYS 71 H LYS 71 11.765 -9.948 -4.301 588 HA LYS 71 HA LYS 71 13.149 -7.362 -3.902 589 1HB LYS 71 2HB LYS 71 12.570 -8.840 -6.498 590 2HB LYS 71 1HB LYS 71 13.730 -7.533 -6.265 591 1HG LYS 71 2HG LYS 71 13.886 -10.211 -4.847 592 2HG LYS 71 1HG LYS 71 14.785 -9.815 -6.311 593 1HD LYS 71 2HD LYS 71 15.930 -7.991 -5.169 594 2HD LYS 71 1HD LYS 71 14.962 -8.251 -3.718 595 1HE LYS 71 2HE LYS 71 16.771 -10.362 -4.923 596 2HE LYS 71 1HE LYS 71 17.267 -9.279 -3.624 597 1HZ LYS 71 3HZ LYS 71 15.137 -10.125 -2.480 598 2HZ LYS 71 2HZ LYS 71 15.234 -11.413 -3.585 599 3HZ LYS 71 1HZ LYS 71 16.505 -11.125 -2.497 600 H ILE 72 H ILE 72 12.141 -5.371 -4.375 601 HA ILE 72 HA ILE 72 9.492 -5.522 -5.732 602 HB ILE 72 HB ILE 72 10.177 -4.169 -3.145 603 1HG1 ILE 72 2HG1 ILE 72 7.635 -5.617 -3.477 604 2HG1 ILE 72 1HG1 ILE 72 9.068 -6.625 -3.669 605 1HG2 ILE 72 3HG2 ILE 72 7.992 -3.563 -5.107 606 2HG2 ILE 72 2HG2 ILE 72 7.702 -3.349 -3.380 607 3HG2 ILE 72 1HG2 ILE 72 8.988 -2.445 -4.177 608 1HD1 ILE 72 1HD1 ILE 72 9.816 -5.280 -1.477 609 2HD1 ILE 72 3HD1 ILE 72 8.069 -5.192 -1.262 610 3HD1 ILE 72 2HD1 ILE 72 8.863 -6.761 -1.389 611 H GLU 73 H GLU 73 10.177 -4.611 -7.580 612 HA GLU 73 HA GLU 73 11.809 -2.185 -7.619 613 1HB GLU 73 2HB GLU 73 10.481 -3.897 -9.722 614 2HB GLU 73 1HB GLU 73 11.198 -2.345 -10.139 615 1HG GLU 73 2HG GLU 73 13.197 -3.435 -8.634 616 2HG GLU 73 1HG GLU 73 12.514 -4.880 -9.383 617 H VAL 74 H VAL 74 10.365 -0.816 -6.332 618 HA VAL 74 HA VAL 74 7.650 -0.248 -7.031 619 HB VAL 74 HB VAL 74 8.780 2.192 -6.073 620 1HG1 VAL 74 3HG1 VAL 74 6.543 1.279 -5.587 621 2HG1 VAL 74 2HG1 VAL 74 7.284 0.034 -4.582 622 3HG1 VAL 74 1HG1 VAL 74 7.410 1.730 -4.120 623 1HG2 VAL 74 2HG2 VAL 74 9.832 -0.256 -4.639 624 2HG2 VAL 74 1HG2 VAL 74 10.769 1.069 -5.326 625 3HG2 VAL 74 3HG2 VAL 74 9.757 1.348 -3.913 626 H GLU 75 H GLU 75 7.425 0.037 -9.277 627 HA GLU 75 HA GLU 75 9.039 2.148 -10.574 628 1HB GLU 75 2HB GLU 75 8.276 -0.161 -11.620 629 2HB GLU 75 1HB GLU 75 6.790 0.726 -11.960 630 1HG GLU 75 2HG GLU 75 8.102 2.477 -13.109 631 2HG GLU 75 1HG GLU 75 9.578 1.575 -12.791 632 H PHE 76 H PHE 76 8.173 3.835 -9.228 633 HA PHE 76 HA PHE 76 5.432 4.675 -10.045 634 1HB PHE 76 2HB PHE 76 4.892 5.228 -7.886 635 2HB PHE 76 1HB PHE 76 5.945 3.845 -7.607 636 HD1 PHE 76 HD1 PHE 76 8.466 4.330 -7.180 637 HD2 PHE 76 HD2 PHE 76 5.374 7.297 -6.963 638 HE1 PHE 76 HE1 PHE 76 9.946 5.786 -5.832 639 HE2 PHE 76 HE2 PHE 76 6.845 8.754 -5.618 640 HZ PHE 76 HZ PHE 76 9.144 7.998 -5.043 641 H ASP 77 H ASP 77 8.481 5.427 -10.748 642 HA ASP 77 HA ASP 77 9.570 7.325 -11.500 643 1HB ASP 77 2HB ASP 77 8.282 8.776 -12.644 644 2HB ASP 77 1HB ASP 77 6.943 7.749 -12.165 645 H LYS 78 H LYS 78 10.365 9.481 -10.761 646 HA LYS 78 HA LYS 78 11.357 9.535 -8.205 647 1HB LYS 78 2HB LYS 78 11.008 11.488 -10.286 648 2HB LYS 78 1HB LYS 78 10.721 12.251 -8.722 649 1HG LYS 78 2HG LYS 78 13.082 10.427 -9.025 650 2HG LYS 78 1HG LYS 78 13.181 12.062 -9.678 651 1HD LYS 78 2HD LYS 78 12.890 13.056 -7.561 652 2HD LYS 78 1HD LYS 78 12.219 11.584 -6.862 653 1HE LYS 78 2HE LYS 78 14.412 11.624 -6.008 654 2HE LYS 78 1HE LYS 78 14.542 10.538 -7.390 655 1HZ LYS 78 2HZ LYS 78 15.142 13.445 -7.476 656 2HZ LYS 78 1HZ LYS 78 16.313 12.227 -7.307 657 3HZ LYS 78 3HZ LYS 78 15.388 12.319 -8.725 658 H GLY 79 H GLY 79 8.395 11.402 -9.025 659 1HA GLY 79 2HA GLY 79 7.441 10.921 -6.241 660 2HA GLY 79 1HA GLY 79 7.377 12.540 -6.944 661 H GLN 80 H GLN 80 5.318 10.296 -6.186 662 HA GLN 80 HA GLN 80 3.923 9.467 -8.510 663 1HB GLN 80 2HB GLN 80 2.291 10.313 -6.151 664 2HB GLN 80 1HB GLN 80 2.190 8.842 -7.107 665 1HG GLN 80 2HG GLN 80 3.137 7.898 -5.256 666 2HG GLN 80 1HG GLN 80 4.630 8.494 -5.971 667 1HE2 GLN 80 2HE2 GLN 80 5.124 10.087 -2.828 668 2HE2 GLN 80 1HE2 GLN 80 5.623 8.826 -3.846 669 H ARG 81 H ARG 81 3.553 12.312 -6.461 670 HA ARG 81 HA ARG 81 3.345 14.469 -7.910 671 1HB ARG 81 2HB ARG 81 2.119 13.455 -9.735 672 2HB ARG 81 1HB ARG 81 0.874 12.865 -8.637 673 1HG ARG 81 2HG ARG 81 0.983 15.629 -8.160 674 2HG ARG 81 1HG ARG 81 1.123 15.474 -9.911 675 1HD ARG 81 2HD ARG 81 -0.984 14.004 -8.315 676 2HD ARG 81 1HD ARG 81 -1.258 15.608 -8.995 677 HE ARG 81 HE ARG 81 -0.369 14.142 -11.162 678 1HH1 ARG 81 2HH1 ARG 81 -1.454 11.685 -9.968 679 2HH1 ARG 81 1HH1 ARG 81 -3.114 11.702 -10.459 680 1HH2 ARG 81 1HH2 ARG 81 -3.109 15.078 -11.285 681 2HH2 ARG 81 2HH2 ARG 81 -4.055 13.629 -11.206 682 H THR 82 H THR 82 0.598 12.694 -6.447 683 HA THR 82 HA THR 82 0.787 14.178 -3.964 684 HB THR 82 HB THR 82 -1.668 15.087 -4.275 685 HG1 THR 82 HG1 THR 82 -2.283 15.381 -6.280 686 1HG2 THR 82 2HG2 THR 82 0.749 16.259 -4.124 687 2HG2 THR 82 1HG2 THR 82 0.293 16.765 -5.751 688 3HG2 THR 82 3HG2 THR 82 -0.737 17.173 -4.379 689 H ASP 83 H ASP 83 -2.208 13.158 -5.544 690 HA ASP 83 HA ASP 83 -3.240 10.924 -5.314 691 1HB ASP 83 2HB ASP 83 -1.500 9.944 -3.887 692 2HB ASP 83 1HB ASP 83 -1.928 11.032 -2.573 693 H LYS 84 H LYS 84 -5.235 10.464 -3.751 694 HA LYS 84 HA LYS 84 -6.657 12.986 -3.429 695 1HB LYS 84 2HB LYS 84 -7.341 10.211 -3.595 696 2HB LYS 84 1HB LYS 84 -8.002 10.835 -2.086 697 1HG LYS 84 2HG LYS 84 -9.532 12.123 -3.153 698 2HG LYS 84 1HG LYS 84 -8.367 12.657 -4.365 699 1HD LYS 84 2HD LYS 84 -9.104 9.812 -4.589 700 2HD LYS 84 1HD LYS 84 -10.446 10.925 -4.855 701 1HE LYS 84 2HE LYS 84 -9.234 12.087 -6.589 702 2HE LYS 84 1HE LYS 84 -7.757 11.196 -6.225 703 1HZ LYS 84 3HZ LYS 84 -10.288 10.011 -7.234 704 2HZ LYS 84 2HZ LYS 84 -8.889 10.287 -8.155 705 3HZ LYS 84 1HZ LYS 84 -8.865 9.155 -6.889 706 H TYR 85 H TYR 85 -5.224 10.550 -1.277 707 HA TYR 85 HA TYR 85 -5.843 12.175 1.121 708 1HB TYR 85 2HB TYR 85 -4.136 9.671 0.982 709 2HB TYR 85 1HB TYR 85 -4.938 10.350 2.397 710 HD1 TYR 85 HD2 TYR 85 -7.425 10.250 2.601 711 HD2 TYR 85 HD1 TYR 85 -5.319 8.306 -0.599 712 HE1 TYR 85 HE2 TYR 85 -9.437 8.887 2.102 713 HE2 TYR 85 HE1 TYR 85 -7.325 6.951 -1.096 714 HH TYR 85 HH TYR 85 -10.194 7.577 -0.398 715 H GLY 86 H GLY 86 -3.311 11.624 -1.188 716 1HA GLY 86 2HA GLY 86 -1.414 13.027 -1.514 717 2HA GLY 86 1HA GLY 86 -1.612 13.645 0.127 718 H ARG 87 H ARG 87 -1.403 10.236 -0.986 719 HA ARG 87 HA ARG 87 0.888 9.905 0.888 720 1HB ARG 87 2HB ARG 87 0.275 7.479 0.831 721 2HB ARG 87 1HB ARG 87 -1.000 8.515 1.466 722 1HG ARG 87 2HG ARG 87 -2.391 7.689 -0.083 723 2HG ARG 87 1HG ARG 87 -1.382 8.420 -1.332 724 1HD ARG 87 2HD ARG 87 -0.056 6.455 -1.545 725 2HD ARG 87 1HD ARG 87 -0.741 5.749 -0.083 726 HE ARG 87 HE ARG 87 -1.768 5.293 -2.600 727 1HH1 ARG 87 1HH2 ARG 87 -2.949 5.192 0.450 728 2HH1 ARG 87 2HH2 ARG 87 -4.591 5.583 0.068 729 1HH2 ARG 87 2HH1 ARG 87 -3.891 6.504 -3.206 730 2HH2 ARG 87 1HH1 ARG 87 -5.126 6.320 -2.008 731 H VAL 88 H VAL 88 1.338 7.233 -0.575 732 HA VAL 88 HA VAL 88 3.141 8.399 -2.636 733 HB VAL 88 HB VAL 88 3.269 5.627 -1.472 734 1HG1 VAL 88 3HG1 VAL 88 4.644 6.790 -3.531 735 2HG1 VAL 88 2HG1 VAL 88 5.707 7.133 -2.167 736 3HG1 VAL 88 1HG1 VAL 88 5.261 5.469 -2.540 737 1HG2 VAL 88 3HG2 VAL 88 4.217 8.262 -0.346 738 2HG2 VAL 88 2HG2 VAL 88 3.377 6.948 0.479 739 3HG2 VAL 88 1HG2 VAL 88 5.074 6.766 0.029 740 H LEU 89 H LEU 89 0.714 8.196 -3.853 741 HA LEU 89 HA LEU 89 -0.168 5.717 -4.837 742 1HB LEU 89 2HB LEU 89 -0.116 8.473 -5.997 743 2HB LEU 89 1HB LEU 89 -0.538 7.129 -7.061 744 HG LEU 89 HG LEU 89 -1.883 7.895 -4.460 745 1HD1 LEU 89 3HD1 LEU 89 -2.648 7.925 -7.384 746 2HD1 LEU 89 2HD1 LEU 89 -3.878 7.900 -6.120 747 3HD1 LEU 89 1HD1 LEU 89 -2.737 9.242 -6.214 748 1HD2 LEU 89 1HD2 LEU 89 -2.096 5.421 -6.189 749 2HD2 LEU 89 3HD2 LEU 89 -1.896 5.522 -4.440 750 3HD2 LEU 89 2HD2 LEU 89 -3.440 5.948 -5.175 751 H ALA 90 H ALA 90 1.397 4.196 -5.267 752 HA ALA 90 HA ALA 90 3.138 4.711 -7.628 753 1HB ALA 90 3HB ALA 90 3.955 3.926 -4.852 754 2HB ALA 90 2HB ALA 90 4.896 3.347 -6.222 755 3HB ALA 90 1HB ALA 90 4.709 5.079 -5.945 756 H TYR 91 H TYR 91 4.093 2.665 -8.477 757 HA TYR 91 HA TYR 91 2.165 0.416 -8.153 758 1HB TYR 91 2HB TYR 91 3.927 1.275 -10.454 759 2HB TYR 91 1HB TYR 91 3.132 -0.301 -10.406 760 HD1 TYR 91 HD2 TYR 91 2.256 3.285 -9.689 761 HD2 TYR 91 HD1 TYR 91 1.048 -0.441 -11.450 762 HE1 TYR 91 HE2 TYR 91 0.118 4.314 -10.385 763 HE2 TYR 91 HE1 TYR 91 -1.096 0.590 -12.146 764 HH TYR 91 HH TYR 91 -1.679 3.518 -12.562 765 H ILE 92 H ILE 92 2.923 -1.637 -7.671 766 HA ILE 92 HA ILE 92 5.820 -1.806 -6.934 767 HB ILE 92 HB ILE 92 3.721 -3.492 -5.599 768 1HG1 ILE 92 2HG1 ILE 92 2.861 -1.152 -5.497 769 2HG1 ILE 92 1HG1 ILE 92 3.329 -1.761 -3.912 770 1HG2 ILE 92 1HG2 ILE 92 6.365 -2.274 -4.772 771 2HG2 ILE 92 3HG2 ILE 92 5.319 -3.188 -3.685 772 3HG2 ILE 92 2HG2 ILE 92 6.030 -3.975 -5.094 773 1HD1 ILE 92 2HD1 ILE 92 5.630 -0.560 -5.119 774 2HD1 ILE 92 1HD1 ILE 92 4.285 0.571 -5.246 775 3HD1 ILE 92 3HD1 ILE 92 4.767 -0.052 -3.668 776 H TYR 93 H TYR 93 6.853 -3.194 -8.289 777 HA TYR 93 HA TYR 93 5.366 -5.623 -9.224 778 1HB TYR 93 2HB TYR 93 7.854 -4.595 -10.578 779 2HB TYR 93 1HB TYR 93 6.584 -5.625 -11.228 780 HD1 TYR 93 HD2 TYR 93 4.191 -4.044 -10.250 781 HD2 TYR 93 HD1 TYR 93 7.841 -2.855 -12.149 782 HE1 TYR 93 HE2 TYR 93 3.068 -2.043 -11.152 783 HE2 TYR 93 HE1 TYR 93 6.723 -0.860 -13.059 784 HH TYR 93 HH TYR 93 4.643 0.584 -12.348 785 H ALA 94 H ALA 94 5.988 -6.604 -7.183 786 HA ALA 94 HA ALA 94 8.843 -7.006 -6.751 787 1HB ALA 94 2HB ALA 94 7.214 -6.528 -4.882 788 2HB ALA 94 1HB ALA 94 6.515 -8.115 -5.173 789 3HB ALA 94 3HB ALA 94 8.189 -7.977 -4.638 790 H ASP 95 H ASP 95 9.797 -8.605 -7.838 791 HA ASP 95 HA ASP 95 10.117 -10.597 -9.060 792 1HB ASP 95 2HB ASP 95 8.487 -11.397 -6.663 793 2HB ASP 95 1HB ASP 95 9.019 -12.593 -7.841 794 H GLY 96 H GLY 96 7.758 -8.926 -9.842 795 1HA GLY 96 2HA GLY 96 6.187 -11.072 -11.194 796 2HA GLY 96 1HA GLY 96 5.360 -9.731 -10.407 797 H LYS 97 H LYS 97 6.714 -7.571 -11.070 798 HA LYS 97 HA LYS 97 6.763 -5.988 -12.831 799 1HB LYS 97 2HB LYS 97 8.017 -8.365 -14.240 800 2HB LYS 97 1HB LYS 97 8.008 -6.720 -14.876 801 1HG LYS 97 2HG LYS 97 9.736 -6.120 -13.561 802 2HG LYS 97 1HG LYS 97 8.937 -6.758 -12.125 803 1HD LYS 97 2HD LYS 97 10.454 -8.423 -12.108 804 2HD LYS 97 1HD LYS 97 9.727 -9.022 -13.598 805 1HE LYS 97 2HE LYS 97 11.965 -8.717 -14.224 806 2HE LYS 97 1HE LYS 97 11.219 -7.212 -14.759 807 1HZ LYS 97 1HZ LYS 97 12.637 -7.614 -12.178 808 2HZ LYS 97 3HZ LYS 97 13.264 -6.810 -13.533 809 3HZ LYS 97 2HZ LYS 97 11.928 -6.163 -12.706 810 H MET 98 H MET 98 4.463 -7.925 -12.488 811 HA MET 98 HA MET 98 3.341 -8.242 -15.186 812 1HB MET 98 2HB MET 98 1.353 -9.139 -13.900 813 2HB MET 98 1HB MET 98 2.850 -10.018 -13.598 814 1HG MET 98 2HG MET 98 3.200 -8.666 -11.530 815 2HG MET 98 1HG MET 98 1.663 -7.856 -11.823 816 1HE MET 98 3HE MET 98 3.520 -11.098 -11.420 817 2HE MET 98 2HE MET 98 2.335 -12.304 -10.923 818 3HE MET 98 1HE MET 98 2.362 -11.741 -12.592 819 H VAL 99 H VAL 99 2.814 -6.402 -12.215 820 HA VAL 99 HA VAL 99 0.647 -4.786 -13.239 821 HB VAL 99 HB VAL 99 2.631 -4.248 -11.000 822 1HG1 VAL 99 1HG1 VAL 99 1.474 -2.243 -11.879 823 2HG1 VAL 99 3HG1 VAL 99 -0.073 -3.033 -11.579 824 3HG1 VAL 99 2HG1 VAL 99 0.989 -2.629 -10.229 825 1HG2 VAL 99 3HG2 VAL 99 -0.109 -5.535 -11.055 826 2HG2 VAL 99 2HG2 VAL 99 1.403 -6.259 -10.507 827 3HG2 VAL 99 1HG2 VAL 99 0.660 -4.960 -9.575 828 H ASN 100 H ASN 100 4.066 -4.894 -13.629 829 HA ASN 100 HA ASN 100 4.716 -2.193 -14.243 830 1HB ASN 100 2HB ASN 100 6.230 -4.315 -14.106 831 2HB ASN 100 1HB ASN 100 5.849 -4.505 -15.814 832 1HD2 ASN 100 2HD2 ASN 100 7.548 -1.369 -16.681 833 2HD2 ASN 100 1HD2 ASN 100 6.106 -2.183 -17.048 834 H GLU 101 H GLU 101 2.646 -1.534 -15.292 835 HA GLU 101 HA GLU 101 2.000 -2.504 -17.960 836 1HB GLU 101 2HB GLU 101 0.715 -0.968 -15.983 837 2HB GLU 101 1HB GLU 101 0.914 0.118 -17.357 838 1HG GLU 101 2HG GLU 101 -0.270 -1.334 -18.819 839 2HG GLU 101 1HG GLU 101 -0.160 -2.687 -17.689 840 H ALA 102 H ALA 102 4.136 -0.063 -16.679 841 HA ALA 102 HA ALA 102 4.263 1.782 -18.818 842 1HB ALA 102 2HB ALA 102 5.445 2.011 -16.613 843 2HB ALA 102 1HB ALA 102 6.611 0.808 -17.164 844 3HB ALA 102 3HB ALA 102 6.477 2.353 -18.002 845 H LEU 103 HN LEU 103 5.166 1.717 -20.835 846 HA LEU 103 HA LEU 103 5.781 -0.782 -22.060 847 1HB LEU 103 2HB LEU 103 6.219 0.429 -24.057 848 2HB LEU 103 1HB LEU 103 4.960 1.323 -23.221 849 HG LEU 103 HG LEU 103 6.488 2.954 -24.029 850 1HD1 LEU 103 3HD1 LEU 103 5.809 3.345 -21.696 851 2HD1 LEU 103 2HD1 LEU 103 7.231 2.469 -21.134 852 3HD1 LEU 103 1HD1 LEU 103 7.421 3.981 -22.013 853 1HD2 LEU 103 3HD2 LEU 103 8.357 0.962 -24.026 854 2HD2 LEU 103 2HD2 LEU 103 8.721 2.665 -24.293 855 3HD2 LEU 103 1HD2 LEU 103 8.922 1.963 -22.688 No H/Q in entry = 855 No H/Q in entry = 855
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