NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640088 | 6p6c | 30614 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -0.334 -0.943 0.000 2 H2 MET 1 2H MET 1 -0.334 0.471 0.816 3 H3 MET 1 3H MET 1 -0.334 0.471 -0.816 4 HA MET 1 HA MET 1 1.804 -0.488 0.911 5 HB2 MET 1 1HB MET 1 1.600 -0.332 -2.121 6 HB3 MET 1 2HB MET 1 3.073 -0.703 -1.237 7 HG2 MET 1 1HG MET 1 2.002 -2.729 -0.311 8 HG3 MET 1 2HG MET 1 0.533 -2.358 -1.216 9 HE1 MET 1 1HE MET 1 1.526 -2.921 -4.901 10 HE2 MET 1 2HE MET 1 0.196 -2.712 -3.736 11 HE3 MET 1 3HE MET 1 1.361 -1.393 -4.004 12 H ALA 2 H ALA 2 1.814 1.509 2.012 13 HA ALA 2 HA ALA 2 1.968 4.027 0.695 14 HB1 ALA 2 1HB ALA 2 2.841 4.866 2.852 15 HB2 ALA 2 2HB ALA 2 1.428 3.808 3.079 16 HB3 ALA 2 3HB ALA 2 3.064 3.190 3.404 17 H GLU 3 H GLU 3 4.471 1.720 1.686 18 HA GLU 3 HA GLU 3 6.725 3.343 1.081 19 HB2 GLU 3 1HB GLU 3 6.877 1.215 2.329 20 HB3 GLU 3 2HB GLU 3 6.406 0.319 0.892 21 HG2 GLU 3 1HG GLU 3 8.449 1.033 -0.251 22 HG3 GLU 3 2HG GLU 3 8.916 1.988 1.154 23 H TYR 4 H TYR 4 4.955 0.988 -0.947 24 HA TYR 4 HA TYR 4 6.627 1.366 -3.245 25 HB2 TYR 4 1HB TYR 4 5.116 -0.610 -2.837 26 HB3 TYR 4 2HB TYR 4 3.733 0.425 -3.165 27 HD1 TYR 4 HD1 TYR 4 7.070 -0.014 -4.830 28 HD2 TYR 4 HD2 TYR 4 2.796 -0.085 -5.195 29 HE1 TYR 4 HE1 TYR 4 7.284 -0.493 -7.245 30 HE2 TYR 4 HE2 TYR 4 3.010 -0.564 -7.610 31 HH TYR 4 HH TYR 4 6.202 -0.896 -9.144 32 H GLY 5 H GLY 5 3.574 2.862 -2.213 33 HA2 GLY 5 1HA GLY 5 3.093 4.497 -4.467 34 HA3 GLY 5 2HA GLY 5 2.639 4.894 -2.821 35 H THR 6 H THR 6 5.156 5.052 -1.599 36 HA THR 6 HA THR 6 6.045 7.660 -2.342 37 HB THR 6 HB THR 6 7.455 5.526 -0.682 38 HG1 THR 6 HG1 THR 6 5.517 6.139 0.264 39 HG21 THR 6 1HG2 THR 6 8.736 7.416 0.246 40 HG22 THR 6 2HG2 THR 6 9.014 7.258 -1.505 41 HG23 THR 6 3HG2 THR 6 7.929 8.525 -0.887 42 H LEU 7 H LEU 7 7.308 4.419 -3.071 43 HA LEU 7 HA LEU 7 9.673 5.290 -4.408 44 HB2 LEU 7 1HB LEU 7 7.990 2.785 -4.760 45 HB3 LEU 7 2HB LEU 7 9.575 3.028 -5.500 46 HG LEU 7 HG LEU 7 9.037 2.951 -2.509 47 HD11 LEU 7 1HD1 LEU 7 10.147 0.763 -2.611 48 HD12 LEU 7 2HD1 LEU 7 8.654 0.789 -3.579 49 HD13 LEU 7 3HD1 LEU 7 10.238 0.892 -4.384 50 HD21 LEU 7 1HD2 LEU 7 11.503 2.861 -2.362 51 HD22 LEU 7 2HD2 LEU 7 11.615 3.020 -4.132 52 HD23 LEU 7 3HD2 LEU 7 10.963 4.359 -3.158 53 H LEU 8 H LEU 8 6.370 4.652 -5.568 54 HA LEU 8 HA LEU 8 6.965 5.227 -8.329 55 HB2 LEU 8 1HB LEU 8 4.371 5.270 -6.749 56 HB3 LEU 8 2HB LEU 8 4.461 5.514 -8.496 57 HG LEU 8 HG LEU 8 5.356 2.991 -7.058 58 HD11 LEU 8 1HD1 LEU 8 3.301 2.011 -7.975 59 HD12 LEU 8 2HD1 LEU 8 2.949 3.344 -6.850 60 HD13 LEU 8 3HD1 LEU 8 2.823 3.604 -8.607 61 HD21 LEU 8 1HD2 LEU 8 5.401 2.067 -9.349 62 HD22 LEU 8 2HD2 LEU 8 4.952 3.661 -10.002 63 HD23 LEU 8 3HD2 LEU 8 6.521 3.441 -9.191 64 H GLN 9 H GLN 9 5.968 7.174 -5.552 65 HA GLN 9 HA GLN 9 5.523 9.616 -6.959 66 HB2 GLN 9 1HB GLN 9 4.901 9.220 -4.573 67 HB3 GLN 9 2HB GLN 9 6.605 9.215 -4.141 68 HG2 GLN 9 1HG GLN 9 5.686 11.349 -3.601 69 HG3 GLN 9 2HG GLN 9 6.780 11.552 -4.998 70 HE21 GLN 9 1HE2 GLN 9 4.348 13.273 -6.757 71 HE22 GLN 9 2HE2 GLN 9 5.998 13.111 -6.255 72 H ASP 10 H ASP 10 8.466 8.128 -5.643 73 HA ASP 10 HA ASP 10 10.217 10.315 -6.120 74 HB2 ASP 10 1HB ASP 10 10.681 7.315 -6.017 75 HB3 ASP 10 2HB ASP 10 11.993 8.461 -6.254 76 H LEU 11 H LEU 11 9.141 7.660 -8.221 77 HA LEU 11 HA LEU 11 10.726 8.299 -10.487 78 HB2 LEU 11 1HB LEU 11 7.953 7.104 -10.213 79 HB3 LEU 11 2HB LEU 11 8.764 7.281 -11.772 80 HG LEU 11 HG LEU 11 9.890 5.678 -9.450 81 HD11 LEU 11 1HD1 LEU 11 9.127 3.709 -10.700 82 HD12 LEU 11 2HD1 LEU 11 7.765 4.737 -10.197 83 HD13 LEU 11 3HD1 LEU 11 8.329 4.769 -11.885 84 HD21 LEU 11 1HD2 LEU 11 11.349 4.755 -11.220 85 HD22 LEU 11 2HD2 LEU 11 10.582 5.831 -12.413 86 HD23 LEU 11 3HD2 LEU 11 11.545 6.519 -11.084 87 H THR 12 H THR 12 7.549 9.533 -9.437 88 HA THR 12 HA THR 12 7.299 11.150 -11.867 89 HB THR 12 HB THR 12 5.152 11.896 -10.878 90 HG1 THR 12 HG1 THR 12 6.340 11.201 -8.604 91 HG21 THR 12 1HG2 THR 12 4.044 9.697 -10.800 92 HG22 THR 12 2HG2 THR 12 5.233 9.763 -12.122 93 HG23 THR 12 3HG2 THR 12 5.624 8.902 -10.615 94 H ASN 13 H ASN 13 8.934 11.505 -8.969 95 HA ASN 13 HA ASN 13 8.728 14.430 -8.884 96 HB2 ASN 13 1HB ASN 13 10.524 12.428 -7.487 97 HB3 ASN 13 2HB ASN 13 10.701 14.167 -7.295 98 HD21 ASN 13 1HD2 ASN 13 8.549 12.730 -4.596 99 HD22 ASN 13 2HD2 ASN 13 10.118 12.345 -5.220 100 H ASN 14 H ASN 14 10.160 12.270 -10.956 101 HA ASN 14 HA ASN 14 12.192 14.307 -11.747 102 HB2 ASN 14 1HB ASN 14 12.581 11.303 -11.563 103 HB3 ASN 14 2HB ASN 14 13.682 12.384 -12.406 104 HD21 ASN 14 1HD2 ASN 14 13.804 11.989 -8.392 105 HD22 ASN 14 2HD2 ASN 14 12.683 11.121 -9.386 106 H ILE 15 H ILE 15 9.647 14.196 -12.802 107 HA ILE 15 HA ILE 15 10.270 13.234 -15.559 108 HB ILE 15 HB ILE 15 7.864 12.718 -15.874 109 HG12 ILE 15 1HG1 ILE 15 7.572 13.266 -12.911 110 HG13 ILE 15 2HG1 ILE 15 7.037 14.351 -14.184 111 HG21 ILE 15 1HG2 ILE 15 7.779 10.696 -14.472 112 HG22 ILE 15 2HG2 ILE 15 9.401 10.926 -15.165 113 HG23 ILE 15 3HG2 ILE 15 9.096 11.337 -13.461 114 HD11 ILE 15 1HD1 ILE 15 5.188 13.026 -13.328 115 HD12 ILE 15 2HD1 ILE 15 5.509 12.625 -15.033 116 HD13 ILE 15 3HD1 ILE 15 6.049 11.525 -13.742 117 H THR 16 H THR 16 9.007 14.345 -17.255 118 HA THR 16 HA THR 16 8.803 17.225 -16.667 119 HB THR 16 HB THR 16 8.512 17.506 -19.083 120 HG1 THR 16 HG1 THR 16 8.727 14.704 -19.432 121 HG21 THR 16 1HG2 THR 16 10.630 16.519 -19.863 122 HG22 THR 16 2HG2 THR 16 10.810 17.201 -18.229 123 HG23 THR 16 3HG2 THR 16 10.655 15.442 -18.447 124 H LEU 17 H LEU 17 6.928 18.401 -17.777 125 HA LEU 17 HA LEU 17 4.523 17.623 -16.449 126 HB2 LEU 17 1HB LEU 17 5.052 19.602 -18.690 127 HB3 LEU 17 2HB LEU 17 3.481 19.420 -17.902 128 HG LEU 17 HG LEU 17 6.043 20.236 -16.486 129 HD11 LEU 17 1HD1 LEU 17 5.036 22.474 -16.444 130 HD12 LEU 17 2HD1 LEU 17 5.327 21.915 -18.108 131 HD13 LEU 17 3HD1 LEU 17 3.681 21.882 -17.433 132 HD21 LEU 17 1HD2 LEU 17 4.490 20.806 -14.649 133 HD22 LEU 17 2HD2 LEU 17 3.125 20.190 -15.613 134 HD23 LEU 17 3HD2 LEU 17 4.395 19.075 -15.055 135 H GLU 18 H GLU 18 5.671 17.200 -19.774 136 HA GLU 18 HA GLU 18 3.207 16.124 -20.794 137 HB2 GLU 18 1HB GLU 18 4.997 17.006 -22.258 138 HB3 GLU 18 2HB GLU 18 6.074 15.716 -21.740 139 HG2 GLU 18 1HG GLU 18 5.190 15.182 -23.898 140 HG3 GLU 18 2HG GLU 18 4.531 14.052 -22.718 141 H ASP 19 H ASP 19 6.124 14.649 -19.385 142 HA ASP 19 HA ASP 19 5.387 11.938 -19.725 143 HB2 ASP 19 1HB ASP 19 7.020 13.334 -17.577 144 HB3 ASP 19 2HB ASP 19 6.814 11.588 -17.622 145 H LEU 20 H LEU 20 4.589 14.246 -17.135 146 HA LEU 20 HA LEU 20 3.160 12.438 -15.476 147 HB2 LEU 20 1HB LEU 20 3.837 14.699 -14.772 148 HB3 LEU 20 2HB LEU 20 2.715 15.409 -15.937 149 HG LEU 20 HG LEU 20 0.812 14.423 -14.681 150 HD11 LEU 20 1HD1 LEU 20 1.226 13.441 -12.469 151 HD12 LEU 20 2HD1 LEU 20 1.977 12.481 -13.766 152 HD13 LEU 20 3HD1 LEU 20 2.980 13.546 -12.751 153 HD21 LEU 20 1HD2 LEU 20 1.009 15.928 -12.731 154 HD22 LEU 20 2HD2 LEU 20 2.761 16.069 -13.015 155 HD23 LEU 20 3HD2 LEU 20 1.610 16.715 -14.210 156 H GLU 21 H GLU 21 2.086 14.468 -18.200 157 HA GLU 21 HA GLU 21 -0.680 13.752 -18.014 158 HB2 GLU 21 1HB GLU 21 1.015 14.750 -20.333 159 HB3 GLU 21 2HB GLU 21 -0.721 14.500 -20.452 160 HG2 GLU 21 1HG GLU 21 0.626 16.368 -18.489 161 HG3 GLU 21 2HG GLU 21 -0.071 16.849 -20.034 162 H GLN 22 H GLN 22 2.092 12.282 -19.640 163 HA GLN 22 HA GLN 22 0.539 10.345 -21.112 164 HB2 GLN 22 1HB GLN 22 3.465 10.419 -20.286 165 HB3 GLN 22 2HB GLN 22 2.776 9.150 -21.289 166 HG2 GLN 22 1HG GLN 22 2.799 12.096 -21.977 167 HG3 GLN 22 2HG GLN 22 3.925 10.861 -22.606 168 HE21 GLN 22 1HE2 GLN 22 0.894 11.601 -24.854 169 HE22 GLN 22 2HE2 GLN 22 1.875 12.672 -23.910 170 H LEU 23 H LEU 23 2.240 10.293 -17.985 171 HA LEU 23 HA LEU 23 1.648 7.568 -17.364 172 HB2 LEU 23 1HB LEU 23 2.182 9.984 -15.608 173 HB3 LEU 23 2HB LEU 23 1.993 8.346 -14.973 174 HG LEU 23 HG LEU 23 4.128 9.134 -16.983 175 HD11 LEU 23 1HD1 LEU 23 5.661 9.139 -15.065 176 HD12 LEU 23 2HD1 LEU 23 4.408 10.394 -14.910 177 HD13 LEU 23 3HD1 LEU 23 4.285 8.890 -13.965 178 HD21 LEU 23 1HD2 LEU 23 5.131 6.994 -16.256 179 HD22 LEU 23 2HD2 LEU 23 3.747 6.714 -15.172 180 HD23 LEU 23 3HD2 LEU 23 3.504 6.742 -16.935 181 H LYS 24 H LYS 24 -0.072 10.610 -16.658 182 HA LYS 24 HA LYS 24 -2.241 9.489 -15.221 183 HB2 LYS 24 1HB LYS 24 -1.874 11.908 -15.363 184 HB3 LYS 24 2HB LYS 24 -2.168 11.885 -17.097 185 HG2 LYS 24 1HG LYS 24 -4.503 11.222 -16.712 186 HG3 LYS 24 2HG LYS 24 -4.214 11.199 -14.966 187 HD2 LYS 24 1HD LYS 24 -5.269 13.303 -15.591 188 HD3 LYS 24 2HD LYS 24 -3.611 13.612 -15.055 189 HE2 LYS 24 1HE LYS 24 -2.855 13.745 -17.388 190 HE3 LYS 24 2HE LYS 24 -4.481 13.360 -17.958 191 HZ1 LYS 24 1HZ LYS 24 -4.055 15.706 -18.024 192 HZ2 LYS 24 2HZ LYS 24 -5.256 15.390 -16.938 193 HZ3 LYS 24 3HZ LYS 24 -3.737 15.750 -16.407 194 H SER 25 H SER 25 -1.872 10.050 -18.731 195 HA SER 25 HA SER 25 -4.463 9.097 -19.435 196 HB2 SER 25 1HB SER 25 -1.878 9.169 -21.025 197 HB3 SER 25 2HB SER 25 -3.454 8.814 -21.713 198 HG SER 25 HG SER 25 -2.507 11.169 -20.544 199 H ALA 26 H ALA 26 -1.331 7.449 -19.111 200 HA ALA 26 HA ALA 26 -2.172 4.938 -20.156 201 HB1 ALA 26 1HB ALA 26 -0.214 4.020 -18.956 202 HB2 ALA 26 2HB ALA 26 0.191 5.515 -19.833 203 HB3 ALA 26 3HB ALA 26 -0.048 5.554 -18.071 204 H CYS 27 H CYS 27 -2.296 6.302 -16.884 205 HA CYS 27 HA CYS 27 -3.401 3.818 -15.786 206 HB2 CYS 27 1HB CYS 27 -3.047 6.579 -14.554 207 HB3 CYS 27 2HB CYS 27 -3.595 5.154 -13.683 208 HG CYS 27 HG CYS 27 -0.857 5.029 -15.424 209 H LYS 28 H LYS 28 -4.567 6.752 -17.208 210 HA LYS 28 HA LYS 28 -7.111 6.942 -15.959 211 HB2 LYS 28 1HB LYS 28 -6.135 8.710 -17.403 212 HB3 LYS 28 2HB LYS 28 -6.321 7.670 -18.809 213 HG2 LYS 28 1HG LYS 28 -8.747 7.730 -18.591 214 HG3 LYS 28 2HG LYS 28 -8.616 8.665 -17.095 215 HD2 LYS 28 1HD LYS 28 -7.528 10.506 -18.329 216 HD3 LYS 28 2HD LYS 28 -7.629 9.569 -19.827 217 HE2 LYS 28 1HE LYS 28 -10.100 9.550 -19.642 218 HE3 LYS 28 2HE LYS 28 -9.995 10.497 -18.156 219 HZ1 LYS 28 1HZ LYS 28 -10.437 11.876 -20.051 220 HZ2 LYS 28 2HZ LYS 28 -8.961 12.256 -19.418 221 HZ3 LYS 28 3HZ LYS 28 -9.061 11.372 -20.807 222 H GLU 29 H GLU 29 -5.876 4.715 -18.318 223 HA GLU 29 HA GLU 29 -8.280 3.957 -19.604 224 HB2 GLU 29 1HB GLU 29 -5.773 2.363 -18.955 225 HB3 GLU 29 2HB GLU 29 -7.079 1.738 -19.952 226 HG2 GLU 29 1HG GLU 29 -6.744 3.584 -21.548 227 HG3 GLU 29 2HG GLU 29 -5.432 4.206 -20.549 228 H ASP 30 H ASP 30 -7.012 3.162 -16.436 229 HA ASP 30 HA ASP 30 -9.262 1.236 -16.056 230 HB2 ASP 30 1HB ASP 30 -6.627 1.516 -14.557 231 HB3 ASP 30 2HB ASP 30 -7.916 0.413 -14.097 232 H ILE 31 H ILE 31 -7.713 4.150 -14.852 233 HA ILE 31 HA ILE 31 -9.271 4.275 -12.411 234 HB ILE 31 HB ILE 31 -7.618 6.364 -13.887 235 HG12 ILE 31 1HG1 ILE 31 -7.047 4.841 -11.335 236 HG13 ILE 31 2HG1 ILE 31 -6.423 4.398 -12.916 237 HG21 ILE 31 1HG2 ILE 31 -7.801 7.705 -11.830 238 HG22 ILE 31 2HG2 ILE 31 -9.398 7.450 -12.571 239 HG23 ILE 31 3HG2 ILE 31 -8.920 6.504 -11.142 240 HD11 ILE 31 1HD1 ILE 31 -4.769 5.639 -11.637 241 HD12 ILE 31 2HD1 ILE 31 -5.264 6.559 -13.079 242 HD13 ILE 31 3HD1 ILE 31 -5.894 7.007 -11.476 243 HA PRO 32 HA PRO 32 -13.099 5.582 -14.077 244 HB2 PRO 32 1HB PRO 32 -13.224 6.959 -11.362 245 HB3 PRO 32 2HB PRO 32 -14.465 5.997 -12.175 246 HG2 PRO 32 1HG PRO 32 -13.060 4.847 -10.233 247 HG3 PRO 32 2HG PRO 32 -13.368 3.933 -11.713 248 HD2 PRO 32 1HD PRO 32 -10.851 5.409 -10.858 249 HD3 PRO 32 2HD PRO 32 -11.011 3.802 -11.673 250 H SER 33 H SER 33 -13.897 7.437 -15.048 251 HA SER 33 HA SER 33 -11.980 9.433 -15.674 252 HB2 SER 33 1HB SER 33 -13.753 10.508 -16.914 253 HB3 SER 33 2HB SER 33 -13.887 8.769 -17.123 254 HG SER 33 HG SER 33 -15.551 10.544 -15.918 255 H GLU 34 H GLU 34 -14.472 9.289 -13.208 256 HA GLU 34 HA GLU 34 -14.493 12.069 -12.531 257 HB2 GLU 34 1HB GLU 34 -15.093 9.579 -10.889 258 HB3 GLU 34 2HB GLU 34 -15.336 11.214 -10.289 259 HG2 GLU 34 1HG GLU 34 -16.950 11.653 -12.076 260 HG3 GLU 34 2HG GLU 34 -16.681 10.040 -12.733 261 H LYS 35 H LYS 35 -12.325 9.428 -11.743 262 HA LYS 35 HA LYS 35 -10.922 11.121 -9.751 263 HB2 LYS 35 1HB LYS 35 -10.529 8.207 -10.546 264 HB3 LYS 35 2HB LYS 35 -9.591 9.045 -9.317 265 HG2 LYS 35 1HG LYS 35 -12.579 8.531 -9.230 266 HG3 LYS 35 2HG LYS 35 -11.335 7.669 -8.313 267 HD2 LYS 35 1HD LYS 35 -10.700 9.814 -7.210 268 HD3 LYS 35 2HD LYS 35 -12.006 10.627 -8.085 269 HE2 LYS 35 1HE LYS 35 -13.646 9.083 -7.019 270 HE3 LYS 35 2HE LYS 35 -12.330 8.342 -6.104 271 HZ1 LYS 35 1HZ LYS 35 -13.469 10.001 -4.824 272 HZ2 LYS 35 2HZ LYS 35 -11.911 10.476 -5.089 273 HZ3 LYS 35 3HZ LYS 35 -13.142 11.168 -5.942 274 H SER 36 H SER 36 -10.762 10.208 -13.043 275 HA SER 36 HA SER 36 -7.924 10.316 -13.424 276 HB2 SER 36 1HB SER 36 -8.406 10.405 -15.747 277 HB3 SER 36 2HB SER 36 -9.656 9.399 -15.031 278 HG SER 36 HG SER 36 -10.908 11.365 -14.900 279 H GLU 37 H GLU 37 -10.342 12.757 -12.947 280 HA GLU 37 HA GLU 37 -8.613 14.906 -13.976 281 HB2 GLU 37 1HB GLU 37 -11.302 14.963 -12.549 282 HB3 GLU 37 2HB GLU 37 -10.462 16.391 -13.138 283 HG2 GLU 37 1HG GLU 37 -10.587 15.506 -15.440 284 HG3 GLU 37 2HG GLU 37 -11.455 14.094 -14.840 285 H GLU 38 H GLU 38 -8.757 13.080 -11.190 286 HA GLU 38 HA GLU 38 -7.887 15.325 -9.446 287 HB2 GLU 38 1HB GLU 38 -8.617 12.443 -8.786 288 HB3 GLU 38 2HB GLU 38 -8.097 13.638 -7.606 289 HG2 GLU 38 1HG GLU 38 -10.061 15.030 -8.168 290 HG3 GLU 38 2HG GLU 38 -10.588 13.802 -9.317 291 H ILE 39 H ILE 39 -6.532 13.197 -11.557 292 HA ILE 39 HA ILE 39 -4.223 12.391 -9.970 293 HB ILE 39 HB ILE 39 -4.730 12.322 -12.975 294 HG12 ILE 39 1HG1 ILE 39 -4.778 10.072 -10.955 295 HG13 ILE 39 2HG1 ILE 39 -6.212 10.916 -11.519 296 HG21 ILE 39 1HG2 ILE 39 -2.796 10.802 -13.058 297 HG22 ILE 39 2HG2 ILE 39 -2.320 12.410 -12.464 298 HG23 ILE 39 3HG2 ILE 39 -2.512 11.062 -11.320 299 HD11 ILE 39 1HD1 ILE 39 -5.895 8.827 -12.721 300 HD12 ILE 39 2HD1 ILE 39 -5.734 10.215 -13.825 301 HD13 ILE 39 3HD1 ILE 39 -4.282 9.358 -13.254 302 H THR 40 H THR 40 -2.832 13.850 -9.264 303 HA THR 40 HA THR 40 -2.020 16.017 -11.157 304 HB THR 40 HB THR 40 -1.724 17.514 -9.215 305 HG1 THR 40 HG1 THR 40 -2.806 16.626 -7.208 306 HG21 THR 40 1HG2 THR 40 -4.101 17.829 -8.647 307 HG22 THR 40 2HG2 THR 40 -3.901 17.496 -10.384 308 HG23 THR 40 3HG2 THR 40 -4.474 16.214 -9.292 309 H THR 41 H THR 41 -1.078 13.414 -9.159 310 HA THR 41 HA THR 41 1.753 13.924 -9.736 311 HB THR 41 HB THR 41 1.317 15.202 -7.600 312 HG1 THR 41 HG1 THR 41 3.390 14.548 -7.804 313 HG21 THR 41 1HG2 THR 41 0.968 13.894 -5.541 314 HG22 THR 41 2HG2 THR 41 -0.402 13.696 -6.661 315 HG23 THR 41 3HG2 THR 41 0.815 12.408 -6.506 316 H GLY 42 H GLY 42 2.900 12.131 -7.986 317 HA2 GLY 42 1HA GLY 42 2.404 9.731 -9.502 318 HA3 GLY 42 2HA GLY 42 3.526 9.899 -8.165 319 H SER 43 H SER 43 1.970 10.559 -6.036 320 HA SER 43 HA SER 43 0.933 7.980 -5.332 321 HB2 SER 43 1HB SER 43 0.411 8.976 -3.200 322 HB3 SER 43 2HB SER 43 1.967 9.589 -3.736 323 HG SER 43 HG SER 43 1.163 11.486 -4.044 324 H ALA 44 H ALA 44 -0.469 10.691 -6.895 325 HA ALA 44 HA ALA 44 -3.170 10.426 -6.033 326 HB1 ALA 44 1HB ALA 44 -3.732 11.640 -8.113 327 HB2 ALA 44 2HB ALA 44 -2.358 12.388 -7.264 328 HB3 ALA 44 3HB ALA 44 -2.074 11.382 -8.702 329 H TRP 45 H TRP 45 -1.851 9.394 -9.202 330 HA TRP 45 HA TRP 45 -4.171 7.794 -9.760 331 HB2 TRP 45 1HB TRP 45 -2.812 6.954 -11.687 332 HB3 TRP 45 2HB TRP 45 -2.884 8.708 -11.593 333 HD1 TRP 45 HD1 TRP 45 -0.620 10.006 -11.385 334 HE1 TRP 45 HE1 TRP 45 1.869 9.309 -11.322 335 HE3 TRP 45 HE3 TRP 45 -1.233 4.954 -10.749 336 HZ2 TRP 45 HZ2 TRP 45 3.350 6.923 -11.034 337 HZ3 TRP 45 HZ3 TRP 45 0.762 3.519 -10.589 338 HH2 TRP 45 HH2 TRP 45 3.021 4.482 -10.725 339 H PHE 46 H PHE 46 -1.172 7.181 -8.103 340 HA PHE 46 HA PHE 46 -1.218 4.331 -8.147 341 HB2 PHE 46 1HB PHE 46 0.732 5.442 -7.294 342 HB3 PHE 46 2HB PHE 46 -0.203 6.339 -6.108 343 HD1 PHE 46 HD1 PHE 46 0.593 2.813 -7.069 344 HD2 PHE 46 HD2 PHE 46 -0.265 5.583 -3.932 345 HE1 PHE 46 HE1 PHE 46 1.027 1.048 -5.394 346 HE2 PHE 46 HE2 PHE 46 0.171 3.821 -2.254 347 HZ PHE 46 HZ PHE 46 0.816 1.552 -2.986 348 H SER 47 H SER 47 -2.613 6.643 -5.792 349 HA SER 47 HA SER 47 -3.773 4.619 -4.138 350 HB2 SER 47 1HB SER 47 -4.956 6.419 -3.070 351 HB3 SER 47 2HB SER 47 -3.338 6.984 -3.457 352 HG SER 47 HG SER 47 -4.278 7.830 -5.407 353 H PHE 48 H PHE 48 -4.797 6.128 -7.109 354 HA PHE 48 HA PHE 48 -7.584 5.329 -6.864 355 HB2 PHE 48 1HB PHE 48 -5.935 6.202 -9.270 356 HB3 PHE 48 2HB PHE 48 -7.668 5.922 -9.304 357 HD1 PHE 48 HD1 PHE 48 -6.178 8.500 -9.976 358 HD2 PHE 48 HD2 PHE 48 -8.030 7.094 -6.393 359 HE1 PHE 48 HE1 PHE 48 -6.567 10.835 -9.264 360 HE2 PHE 48 HE2 PHE 48 -8.424 9.427 -5.678 361 HZ PHE 48 HZ PHE 48 -7.690 11.298 -7.114 362 H LEU 49 H LEU 49 -4.737 4.102 -8.640 363 HA LEU 49 HA LEU 49 -6.092 1.805 -9.711 364 HB2 LEU 49 1HB LEU 49 -3.159 2.388 -9.190 365 HB3 LEU 49 2HB LEU 49 -3.733 0.927 -10.000 366 HG LEU 49 HG LEU 49 -4.123 3.770 -11.002 367 HD11 LEU 49 1HD1 LEU 49 -2.498 3.115 -12.721 368 HD12 LEU 49 2HD1 LEU 49 -1.795 3.040 -11.088 369 HD13 LEU 49 3HD1 LEU 49 -2.282 1.542 -11.917 370 HD21 LEU 49 1HD2 LEU 49 -4.942 2.644 -13.044 371 HD22 LEU 49 2HD2 LEU 49 -4.761 1.063 -12.245 372 HD23 LEU 49 3HD2 LEU 49 -5.955 2.236 -11.637 373 H GLU 50 H GLU 50 -4.402 2.468 -6.687 374 HA GLU 50 HA GLU 50 -4.356 -0.275 -5.787 375 HB2 GLU 50 1HB GLU 50 -2.874 1.500 -4.861 376 HB3 GLU 50 2HB GLU 50 -4.276 2.311 -4.178 377 HG2 GLU 50 1HG GLU 50 -4.706 0.446 -2.699 378 HG3 GLU 50 2HG GLU 50 -3.426 -0.500 -3.456 379 H SER 51 H SER 51 -6.521 2.492 -5.120 380 HA SER 51 HA SER 51 -8.153 1.103 -3.242 381 HB2 SER 51 1HB SER 51 -8.761 3.470 -5.042 382 HB3 SER 51 2HB SER 51 -9.817 2.917 -3.752 383 HG SER 51 HG SER 51 -7.234 3.978 -3.611 384 H HIS 52 H HIS 52 -8.293 1.386 -6.764 385 HA HIS 52 HA HIS 52 -10.915 -0.021 -6.801 386 HB2 HIS 52 1HB HIS 52 -9.321 1.359 -8.989 387 HB3 HIS 52 2HB HIS 52 -10.837 0.510 -9.255 388 HD1 HIS 52 HD1 HIS 52 -12.865 1.477 -7.527 389 HD2 HIS 52 HD2 HIS 52 -9.730 4.121 -8.497 390 HE1 HIS 52 HE1 HIS 52 -13.742 3.727 -7.156 391 H ASN 53 H ASN 53 -7.886 -1.007 -6.468 392 HA ASN 53 HA ASN 53 -6.759 -2.954 -6.968 393 HB2 ASN 53 1HB ASN 53 -9.590 -3.918 -7.496 394 HB3 ASN 53 2HB ASN 53 -8.185 -4.966 -7.354 395 HD21 ASN 53 1HD2 ASN 53 -10.166 -4.302 -4.109 396 HD22 ASN 53 2HD2 ASN 53 -10.742 -4.411 -5.739 397 H LYS 54 H LYS 54 -6.630 -1.135 -8.986 398 HA LYS 54 HA LYS 54 -7.008 -2.783 -11.448 399 HB2 LYS 54 1HB LYS 54 -6.667 0.229 -11.157 400 HB3 LYS 54 2HB LYS 54 -6.842 -0.629 -12.681 401 HG2 LYS 54 1HG LYS 54 -8.925 -0.528 -10.478 402 HG3 LYS 54 2HG LYS 54 -8.936 0.433 -11.963 403 HD2 LYS 54 1HD LYS 54 -8.991 -1.683 -13.293 404 HD3 LYS 54 2HD LYS 54 -9.078 -2.599 -11.781 405 HE2 LYS 54 1HE LYS 54 -11.184 -1.419 -11.201 406 HE3 LYS 54 2HE LYS 54 -11.103 -0.538 -12.729 407 HZ1 LYS 54 1HZ LYS 54 -12.541 -2.435 -12.880 408 HZ2 LYS 54 2HZ LYS 54 -11.245 -2.639 -13.881 409 HZ3 LYS 54 3HZ LYS 54 -11.322 -3.461 -12.453 410 H LEU 55 H LEU 55 -4.694 -1.299 -9.352 411 HA LEU 55 HA LEU 55 -2.503 -0.997 -11.114 412 HB2 LEU 55 1HB LEU 55 -2.593 -0.188 -8.759 413 HB3 LEU 55 2HB LEU 55 -2.453 -1.857 -8.199 414 HG LEU 55 HG LEU 55 -0.210 -1.977 -9.343 415 HD11 LEU 55 1HD1 LEU 55 0.850 0.142 -9.984 416 HD12 LEU 55 2HD1 LEU 55 -0.582 -0.205 -10.981 417 HD13 LEU 55 3HD1 LEU 55 -0.677 1.000 -9.675 418 HD21 LEU 55 1HD2 LEU 55 0.924 -0.641 -7.600 419 HD22 LEU 55 2HD2 LEU 55 -0.603 0.208 -7.256 420 HD23 LEU 55 3HD2 LEU 55 -0.458 -1.535 -6.923 421 H ASP 56 H ASP 56 -1.377 -2.377 -12.274 422 HA ASP 56 HA ASP 56 -0.833 -5.078 -11.250 423 HB2 ASP 56 1HB ASP 56 -1.715 -6.230 -13.228 424 HB3 ASP 56 2HB ASP 56 -3.004 -5.385 -12.382 425 H LYS 57 H LYS 57 0.328 -6.333 -13.205 426 HA LYS 57 HA LYS 57 2.799 -4.906 -13.453 427 HB2 LYS 57 1HB LYS 57 1.795 -7.476 -14.729 428 HB3 LYS 57 2HB LYS 57 3.428 -6.866 -14.957 429 HG2 LYS 57 1HG LYS 57 3.843 -7.022 -12.538 430 HG3 LYS 57 2HG LYS 57 2.191 -7.605 -12.288 431 HD2 LYS 57 1HD LYS 57 2.668 -9.559 -13.739 432 HD3 LYS 57 2HD LYS 57 4.325 -8.980 -13.964 433 HE2 LYS 57 1HE LYS 57 4.743 -9.179 -11.548 434 HE3 LYS 57 2HE LYS 57 3.077 -9.703 -11.286 435 HZ1 LYS 57 1HZ LYS 57 4.579 -11.553 -11.379 436 HZ2 LYS 57 2HZ LYS 57 3.529 -11.625 -12.649 437 HZ3 LYS 57 3HZ LYS 57 5.086 -11.137 -12.892 438 H ASP 58 H ASP 58 0.076 -5.400 -15.630 439 HA ASP 58 HA ASP 58 1.334 -4.560 -18.038 440 HB2 ASP 58 1HB ASP 58 -1.552 -4.410 -17.097 441 HB3 ASP 58 2HB ASP 58 -1.053 -3.921 -18.710 442 H ASN 59 H ASN 59 -0.491 -2.700 -15.591 443 HA ASN 59 HA ASN 59 -0.159 -0.171 -16.897 444 HB2 ASN 59 1HB ASN 59 -0.771 -0.976 -14.047 445 HB3 ASN 59 2HB ASN 59 -0.593 0.710 -14.513 446 HD21 ASN 59 1HD2 ASN 59 -4.170 -0.379 -14.697 447 HD22 ASN 59 2HD2 ASN 59 -2.942 -0.485 -13.479 448 H LEU 60 H LEU 60 1.824 -1.959 -14.589 449 HA LEU 60 HA LEU 60 3.672 0.186 -14.085 450 HB2 LEU 60 1HB LEU 60 3.955 -2.830 -13.868 451 HB3 LEU 60 2HB LEU 60 5.184 -1.684 -13.325 452 HG LEU 60 HG LEU 60 2.358 -1.878 -12.224 453 HD11 LEU 60 1HD1 LEU 60 3.461 -2.818 -10.243 454 HD12 LEU 60 2HD1 LEU 60 3.715 -3.834 -11.681 455 HD13 LEU 60 3HD1 LEU 60 5.023 -2.779 -11.094 456 HD21 LEU 60 1HD2 LEU 60 3.227 -0.333 -10.502 457 HD22 LEU 60 2HD2 LEU 60 4.787 -0.257 -11.356 458 HD23 LEU 60 3HD2 LEU 60 3.320 0.397 -12.123 459 H SER 61 H SER 61 3.459 -2.355 -16.531 460 HA SER 61 HA SER 61 6.066 -1.818 -17.669 461 HB2 SER 61 1HB SER 61 5.409 -3.299 -19.420 462 HB3 SER 61 2HB SER 61 4.756 -3.956 -17.927 463 HG SER 61 HG SER 61 2.879 -2.507 -18.611 464 H TYR 62 H TYR 62 2.836 -0.510 -18.095 465 HA TYR 62 HA TYR 62 3.421 1.017 -20.465 466 HB2 TYR 62 1HB TYR 62 1.389 1.465 -18.242 467 HB3 TYR 62 2HB TYR 62 1.445 2.393 -19.734 468 HD1 TYR 62 HD1 TYR 62 2.366 -0.274 -21.296 469 HD2 TYR 62 HD2 TYR 62 -0.930 0.839 -18.784 470 HE1 TYR 62 HE1 TYR 62 0.950 -1.969 -22.403 471 HE2 TYR 62 HE2 TYR 62 -2.346 -0.857 -19.892 472 HH TYR 62 HH TYR 62 -2.452 -2.440 -21.437 473 H ILE 63 H ILE 63 3.701 1.693 -16.986 474 HA ILE 63 HA ILE 63 4.635 4.368 -17.223 475 HB ILE 63 HB ILE 63 5.187 2.217 -15.142 476 HG12 ILE 63 1HG1 ILE 63 3.456 4.687 -14.964 477 HG13 ILE 63 2HG1 ILE 63 2.846 3.118 -15.464 478 HG21 ILE 63 1HG2 ILE 63 6.042 4.032 -13.717 479 HG22 ILE 63 2HG2 ILE 63 7.048 3.833 -15.171 480 HG23 ILE 63 3HG2 ILE 63 5.884 5.176 -15.071 481 HD11 ILE 63 1HD1 ILE 63 2.413 3.516 -13.105 482 HD12 ILE 63 2HD1 ILE 63 3.535 2.150 -13.313 483 HD13 ILE 63 3HD1 ILE 63 4.152 3.741 -12.806 484 H GLU 64 H GLU 64 6.436 1.281 -17.099 485 HA GLU 64 HA GLU 64 9.027 2.379 -17.420 486 HB2 GLU 64 1HB GLU 64 8.552 0.005 -16.824 487 HB3 GLU 64 2HB GLU 64 7.964 -0.281 -18.456 488 HG2 GLU 64 1HG GLU 64 10.180 0.205 -19.367 489 HG3 GLU 64 2HG GLU 64 10.782 0.565 -17.750 490 H HIS 65 H HIS 65 6.671 1.284 -19.870 491 HA HIS 65 HA HIS 65 8.267 1.714 -22.167 492 HB2 HIS 65 1HB HIS 65 6.101 0.551 -22.237 493 HB3 HIS 65 2HB HIS 65 5.263 2.043 -21.836 494 HD1 HIS 65 HD1 HIS 65 7.487 0.636 -24.602 495 HD2 HIS 65 HD2 HIS 65 4.453 3.522 -24.129 496 HE1 HIS 65 HE1 HIS 65 7.046 1.522 -26.836 497 H ILE 66 H ILE 66 6.095 3.974 -20.461 498 HA ILE 66 HA ILE 66 6.440 6.161 -22.229 499 HB ILE 66 HB ILE 66 5.800 6.039 -19.260 500 HG12 ILE 66 1HG1 ILE 66 4.033 6.777 -21.596 501 HG13 ILE 66 2HG1 ILE 66 4.191 5.134 -20.996 502 HG21 ILE 66 1HG2 ILE 66 5.163 8.410 -19.436 503 HG22 ILE 66 2HG2 ILE 66 6.901 8.190 -19.747 504 HG23 ILE 66 3HG2 ILE 66 5.781 8.457 -21.104 505 HD11 ILE 66 1HD1 ILE 66 2.221 6.218 -20.073 506 HD12 ILE 66 2HD1 ILE 66 3.394 5.849 -18.785 507 HD13 ILE 66 3HD1 ILE 66 3.231 7.514 -19.393 508 H PHE 67 H PHE 67 8.281 5.209 -19.331 509 HA PHE 67 HA PHE 67 10.068 7.462 -19.434 510 HB2 PHE 67 1HB PHE 67 10.326 4.724 -18.134 511 HB3 PHE 67 2HB PHE 67 11.504 6.011 -17.930 512 HD1 PHE 67 HD1 PHE 67 8.952 8.059 -18.105 513 HD2 PHE 67 HD2 PHE 67 10.163 4.792 -15.633 514 HE1 PHE 67 HE1 PHE 67 7.622 8.982 -16.237 515 HE2 PHE 67 HE2 PHE 67 8.832 5.711 -13.763 516 HZ PHE 67 HZ PHE 67 7.562 7.808 -14.066 517 H GLU 68 H GLU 68 10.043 4.279 -20.935 518 HA GLU 68 HA GLU 68 12.742 4.305 -21.886 519 HB2 GLU 68 1HB GLU 68 11.321 2.275 -21.867 520 HB3 GLU 68 2HB GLU 68 10.268 2.989 -23.079 521 HG2 GLU 68 1HG GLU 68 12.150 3.035 -24.677 522 HG3 GLU 68 2HG GLU 68 13.188 2.294 -23.461 523 H ILE 69 H ILE 69 9.675 5.283 -23.450 524 HA ILE 69 HA ILE 69 11.033 6.171 -25.851 525 HB ILE 69 HB ILE 69 8.822 7.035 -26.527 526 HG12 ILE 69 1HG1 ILE 69 7.882 6.291 -23.748 527 HG13 ILE 69 2HG1 ILE 69 8.212 7.932 -24.283 528 HG21 ILE 69 1HG2 ILE 69 7.562 4.924 -26.410 529 HG22 ILE 69 2HG2 ILE 69 9.277 4.625 -26.775 530 HG23 ILE 69 3HG2 ILE 69 8.654 4.337 -25.134 531 HD11 ILE 69 1HD1 ILE 69 5.833 7.441 -24.377 532 HD12 ILE 69 2HD1 ILE 69 6.476 7.731 -26.011 533 HD13 ILE 69 3HD1 ILE 69 6.141 6.070 -25.468 534 H SER 70 H SER 70 10.414 7.563 -22.770 535 HA SER 70 HA SER 70 10.854 10.311 -23.742 536 HB2 SER 70 1HB SER 70 10.589 9.146 -20.951 537 HB3 SER 70 2HB SER 70 10.814 10.854 -21.294 538 HG SER 70 HG SER 70 8.724 10.693 -21.237 539 H ARG 71 H ARG 71 12.773 7.666 -23.277 540 HA ARG 71 HA ARG 71 15.062 7.432 -23.244 541 HB2 ARG 71 1HB ARG 71 15.032 10.424 -23.770 542 HB3 ARG 71 2HB ARG 71 16.439 9.383 -23.921 543 HG2 ARG 71 1HG ARG 71 15.282 8.110 -25.708 544 HG3 ARG 71 2HG ARG 71 13.912 9.241 -25.584 545 HD2 ARG 71 1HD ARG 71 15.385 11.086 -26.144 546 HD3 ARG 71 2HD ARG 71 16.754 9.957 -26.268 547 HE ARG 71 HE ARG 71 14.729 9.009 -27.959 548 HH11 ARG 71 1HH1 ARG 71 16.828 11.812 -27.676 549 HH12 ARG 71 2HH1 ARG 71 16.866 12.113 -29.399 550 HH21 ARG 71 1HH2 ARG 71 14.786 9.410 -30.193 551 HH22 ARG 71 2HH2 ARG 71 15.710 10.755 -30.825 552 H ARG 72 H ARG 72 14.130 7.305 -20.805 553 HA ARG 72 HA ARG 72 16.125 8.884 -19.242 554 HB2 ARG 72 1HB ARG 72 13.300 8.148 -18.407 555 HB3 ARG 72 2HB ARG 72 14.513 8.823 -17.330 556 HG2 ARG 72 1HG ARG 72 13.515 10.219 -19.823 557 HG3 ARG 72 2HG ARG 72 12.855 10.469 -18.188 558 HD2 ARG 72 1HD ARG 72 15.061 11.170 -17.423 559 HD3 ARG 72 2HD ARG 72 15.689 10.959 -19.073 560 HE ARG 72 HE ARG 72 13.937 13.090 -18.090 561 HH11 ARG 72 1HH1 ARG 72 15.421 11.499 -20.848 562 HH12 ARG 72 2HH1 ARG 72 15.212 12.872 -21.912 563 HH21 ARG 72 1HH2 ARG 72 13.671 14.866 -19.480 564 HH22 ARG 72 2HH2 ARG 72 14.221 14.778 -21.138 565 HA PRO 73 HA PRO 73 16.985 4.390 -18.825 566 HB2 PRO 73 1HB PRO 73 19.644 5.723 -18.196 567 HB3 PRO 73 2HB PRO 73 19.330 4.252 -19.126 568 HG2 PRO 73 1HG PRO 73 19.878 6.486 -20.459 569 HG3 PRO 73 2HG PRO 73 18.568 5.452 -21.037 570 HD2 PRO 73 1HD PRO 73 18.408 8.010 -19.391 571 HD3 PRO 73 2HD PRO 73 17.393 7.494 -20.798 572 H ASP 74 H ASP 74 17.824 7.232 -16.856 573 HA ASP 74 HA ASP 74 18.467 5.891 -14.437 574 HB2 ASP 74 1HB ASP 74 17.303 8.647 -14.976 575 HB3 ASP 74 2HB ASP 74 17.738 8.098 -13.363 576 H LEU 75 H LEU 75 15.351 7.154 -15.638 577 HA LEU 75 HA LEU 75 13.867 6.318 -13.317 578 HB2 LEU 75 1HB LEU 75 13.026 7.001 -16.152 579 HB3 LEU 75 2HB LEU 75 11.879 6.624 -14.863 580 HG LEU 75 HG LEU 75 13.836 8.949 -14.831 581 HD11 LEU 75 1HD1 LEU 75 11.837 10.323 -15.206 582 HD12 LEU 75 2HD1 LEU 75 12.125 9.200 -16.556 583 HD13 LEU 75 3HD1 LEU 75 10.853 8.849 -15.362 584 HD21 LEU 75 1HD2 LEU 75 12.502 9.665 -12.877 585 HD22 LEU 75 2HD2 LEU 75 11.526 8.181 -12.999 586 HD23 LEU 75 3HD2 LEU 75 13.256 8.078 -12.592 587 H LEU 76 H LEU 76 14.635 4.821 -16.430 588 HA LEU 76 HA LEU 76 12.884 2.594 -16.239 589 HB2 LEU 76 1HB LEU 76 15.594 2.931 -17.561 590 HB3 LEU 76 2HB LEU 76 14.617 1.469 -17.726 591 HG LEU 76 HG LEU 76 13.742 4.245 -18.600 592 HD11 LEU 76 1HD1 LEU 76 14.137 3.402 -20.871 593 HD12 LEU 76 2HD1 LEU 76 15.635 3.430 -19.911 594 HD13 LEU 76 3HD1 LEU 76 14.789 1.890 -20.197 595 HD21 LEU 76 1HD2 LEU 76 11.938 2.993 -19.733 596 HD22 LEU 76 2HD2 LEU 76 12.558 1.473 -19.043 597 HD23 LEU 76 3HD2 LEU 76 11.892 2.730 -17.973 598 H THR 77 H THR 77 16.228 3.044 -15.085 599 HA THR 77 HA THR 77 16.544 0.430 -13.993 600 HB THR 77 HB THR 77 17.799 3.067 -13.116 601 HG1 THR 77 HG1 THR 77 18.405 2.604 -15.201 602 HG21 THR 77 1HG2 THR 77 19.538 1.647 -12.103 603 HG22 THR 77 2HG2 THR 77 17.950 1.333 -11.363 604 HG23 THR 77 3HG2 THR 77 18.619 0.192 -12.553 605 H MET 78 H MET 78 15.310 3.452 -12.567 606 HA MET 78 HA MET 78 14.916 2.455 -9.937 607 HB2 MET 78 1HB MET 78 13.474 4.613 -11.516 608 HB3 MET 78 2HB MET 78 13.148 4.291 -9.819 609 HG2 MET 78 1HG MET 78 15.378 4.923 -9.188 610 HG3 MET 78 2HG MET 78 15.896 5.002 -10.874 611 HE1 MET 78 1HE MET 78 13.070 8.012 -8.794 612 HE2 MET 78 2HE MET 78 12.612 6.311 -9.057 613 HE3 MET 78 3HE MET 78 13.961 6.711 -7.967 614 H VAL 79 H VAL 79 12.686 2.547 -12.724 615 HA VAL 79 HA VAL 79 10.432 1.463 -11.431 616 HB VAL 79 HB VAL 79 11.395 1.222 -14.308 617 HG11 VAL 79 1HG1 VAL 79 9.129 0.498 -14.883 618 HG12 VAL 79 2HG1 VAL 79 9.954 -0.672 -13.826 619 HG13 VAL 79 3HG1 VAL 79 8.717 0.418 -13.154 620 HG21 VAL 79 1HG2 VAL 79 9.637 2.920 -14.696 621 HG22 VAL 79 2HG2 VAL 79 9.248 2.912 -12.959 622 HG23 VAL 79 3HG2 VAL 79 10.836 3.494 -13.513 623 H VAL 80 H VAL 80 13.036 -0.230 -13.210 624 HA VAL 80 HA VAL 80 12.035 -2.849 -12.921 625 HB VAL 80 HB VAL 80 14.896 -1.818 -13.071 626 HG11 VAL 80 1HG1 VAL 80 15.554 -4.104 -13.646 627 HG12 VAL 80 2HG1 VAL 80 14.907 -3.993 -11.992 628 HG13 VAL 80 3HG1 VAL 80 13.902 -4.666 -13.298 629 HG21 VAL 80 1HG2 VAL 80 14.712 -2.583 -15.417 630 HG22 VAL 80 2HG2 VAL 80 13.033 -3.092 -15.118 631 HG23 VAL 80 3HG2 VAL 80 13.469 -1.368 -15.037 632 H ASP 81 H ASP 81 14.281 -1.034 -10.809 633 HA ASP 81 HA ASP 81 14.630 -3.084 -8.872 634 HB2 ASP 81 1HB ASP 81 14.781 -0.055 -8.675 635 HB3 ASP 81 2HB ASP 81 15.155 -1.111 -7.319 636 H TYR 82 H TYR 82 12.149 -0.579 -9.231 637 HA TYR 82 HA TYR 82 10.973 -1.095 -6.628 638 HB2 TYR 82 1HB TYR 82 9.872 0.378 -9.056 639 HB3 TYR 82 2HB TYR 82 9.132 0.370 -7.462 640 HD1 TYR 82 HD1 TYR 82 12.285 0.318 -6.403 641 HD2 TYR 82 HD2 TYR 82 9.738 2.899 -8.696 642 HE1 TYR 82 HE1 TYR 82 13.666 2.261 -5.751 643 HE2 TYR 82 HE2 TYR 82 11.119 4.842 -8.043 644 HH TYR 82 HH TYR 82 13.875 4.480 -5.832 645 H ARG 83 H ARG 83 10.561 -2.369 -9.855 646 HA ARG 83 HA ARG 83 8.025 -3.657 -9.352 647 HB2 ARG 83 1HB ARG 83 10.210 -4.087 -11.404 648 HB3 ARG 83 2HB ARG 83 8.775 -5.098 -11.343 649 HG2 ARG 83 1HG ARG 83 7.346 -3.180 -11.765 650 HG3 ARG 83 2HG ARG 83 8.754 -2.092 -11.709 651 HD2 ARG 83 1HD ARG 83 8.156 -2.543 -13.981 652 HD3 ARG 83 2HD ARG 83 9.719 -3.306 -13.610 653 HE ARG 83 HE ARG 83 7.595 -5.154 -13.177 654 HH11 ARG 83 1HH1 ARG 83 9.380 -3.558 -15.748 655 HH12 ARG 83 2HH1 ARG 83 9.117 -4.847 -16.901 656 HH21 ARG 83 1HH2 ARG 83 7.260 -6.820 -14.684 657 HH22 ARG 83 2HH2 ARG 83 7.917 -6.693 -16.300 658 H THR 84 H THR 84 11.352 -4.413 -8.630 659 HA THR 84 HA THR 84 10.630 -7.157 -7.794 660 HB THR 84 HB THR 84 13.014 -7.396 -7.218 661 HG1 THR 84 HG1 THR 84 12.904 -4.642 -7.390 662 HG21 THR 84 1HG2 THR 84 13.967 -7.095 -9.470 663 HG22 THR 84 2HG2 THR 84 12.323 -7.770 -9.560 664 HG23 THR 84 3HG2 THR 84 12.599 -6.049 -9.914 665 H ARG 85 H ARG 85 11.129 -3.967 -6.470 666 HA ARG 85 HA ARG 85 11.451 -4.805 -3.727 667 HB2 ARG 85 1HB ARG 85 12.168 -2.588 -4.505 668 HB3 ARG 85 2HB ARG 85 10.509 -2.165 -4.898 669 HG2 ARG 85 1HG ARG 85 11.212 -1.138 -2.810 670 HG3 ARG 85 2HG ARG 85 9.897 -2.303 -2.522 671 HD2 ARG 85 1HD ARG 85 11.576 -3.971 -1.866 672 HD3 ARG 85 2HD ARG 85 12.838 -2.733 -2.058 673 HE ARG 85 HE ARG 85 11.008 -1.585 -0.358 674 HH11 ARG 85 1HH1 ARG 85 12.871 -4.564 -0.364 675 HH12 ARG 85 2HH1 ARG 85 12.977 -4.648 1.380 676 HH21 ARG 85 1HH2 ARG 85 11.152 -1.706 1.905 677 HH22 ARG 85 2HH2 ARG 85 12.004 -3.031 2.666 678 H VAL 86 H VAL 86 8.678 -3.823 -5.726 679 HA VAL 86 HA VAL 86 6.738 -3.801 -3.643 680 HB VAL 86 HB VAL 86 6.498 -2.921 -6.036 681 HG11 VAL 86 1HG1 VAL 86 5.641 -4.483 -7.714 682 HG12 VAL 86 2HG1 VAL 86 7.299 -4.890 -7.210 683 HG13 VAL 86 3HG1 VAL 86 5.922 -5.838 -6.596 684 HG21 VAL 86 1HG2 VAL 86 4.076 -3.422 -6.108 685 HG22 VAL 86 2HG2 VAL 86 4.315 -4.740 -4.936 686 HG23 VAL 86 3HG2 VAL 86 4.608 -3.053 -4.451 687 H LEU 87 H LEU 87 8.221 -6.409 -5.454 688 HA LEU 87 HA LEU 87 6.359 -8.452 -4.606 689 HB2 LEU 87 1HB LEU 87 9.238 -8.590 -5.564 690 HB3 LEU 87 2HB LEU 87 8.233 -10.008 -5.247 691 HG LEU 87 HG LEU 87 7.619 -7.878 -7.327 692 HD11 LEU 87 1HD1 LEU 87 8.312 -9.588 -8.946 693 HD12 LEU 87 2HD1 LEU 87 9.649 -9.121 -7.869 694 HD13 LEU 87 3HD1 LEU 87 8.792 -10.659 -7.609 695 HD21 LEU 87 1HD2 LEU 87 5.952 -9.536 -8.093 696 HD22 LEU 87 2HD2 LEU 87 6.398 -10.608 -6.744 697 HD23 LEU 87 3HD2 LEU 87 5.633 -9.035 -6.415 698 H LYS 88 H LYS 88 9.335 -7.066 -3.290 699 HA LYS 88 HA LYS 88 9.439 -8.905 -1.042 700 HB2 LYS 88 1HB LYS 88 10.744 -6.204 -1.547 701 HB3 LYS 88 2HB LYS 88 11.034 -7.168 -0.105 702 HG2 LYS 88 1HG LYS 88 11.948 -8.987 -1.478 703 HG3 LYS 88 2HG LYS 88 11.620 -8.054 -2.945 704 HD2 LYS 88 1HD LYS 88 13.135 -6.265 -2.146 705 HD3 LYS 88 2HD LYS 88 13.468 -7.206 -0.684 706 HE2 LYS 88 1HE LYS 88 14.410 -9.026 -2.052 707 HE3 LYS 88 2HE LYS 88 14.048 -8.122 -3.525 708 HZ1 LYS 88 1HZ LYS 88 16.324 -7.857 -2.865 709 HZ2 LYS 88 2HZ LYS 88 15.546 -6.406 -2.771 710 HZ3 LYS 88 3HZ LYS 88 15.885 -7.251 -1.395 711 H ILE 89 H ILE 89 7.925 -5.801 -1.709 712 HA ILE 89 HA ILE 89 7.183 -5.243 1.019 713 HB ILE 89 HB ILE 89 6.090 -4.268 -1.648 714 HG12 ILE 89 1HG1 ILE 89 7.698 -2.811 0.457 715 HG13 ILE 89 2HG1 ILE 89 8.415 -3.623 -0.926 716 HG21 ILE 89 1HG2 ILE 89 4.858 -2.575 -0.353 717 HG22 ILE 89 2HG2 ILE 89 4.295 -4.216 0.041 718 HG23 ILE 89 3HG2 ILE 89 5.374 -3.353 1.162 719 HD11 ILE 89 1HD1 ILE 89 8.168 -1.240 -1.340 720 HD12 ILE 89 2HD1 ILE 89 7.142 -2.179 -2.452 721 HD13 ILE 89 3HD1 ILE 89 6.417 -1.354 -1.052 722 H SER 90 H SER 90 5.447 -6.713 -1.736 723 HA SER 90 HA SER 90 3.029 -7.169 -0.240 724 HB2 SER 90 1HB SER 90 3.005 -7.053 -2.669 725 HB3 SER 90 2HB SER 90 4.102 -8.420 -2.788 726 HG SER 90 HG SER 90 2.484 -9.647 -2.652 Start of MODEL 2 1 H1 MET 1 1H MET 1 -0.015 -0.418 2.436 2 H2 MET 1 2H MET 1 1.177 0.291 3.299 3 H3 MET 1 3H MET 1 0.229 1.192 2.321 4 HA MET 1 HA MET 1 2.107 -0.870 1.486 5 HB2 MET 1 1HB MET 1 0.284 0.956 -0.127 6 HB3 MET 1 2HB MET 1 1.561 -0.033 -0.817 7 HG2 MET 1 1HG MET 1 -0.823 -1.111 0.713 8 HG3 MET 1 2HG MET 1 -0.690 -1.032 -1.046 9 HE1 MET 1 1HE MET 1 -0.342 -4.873 -0.206 10 HE2 MET 1 2HE MET 1 -1.326 -3.681 0.681 11 HE3 MET 1 3HE MET 1 -1.271 -3.645 -1.099 12 H ALA 2 H ALA 2 3.449 0.488 3.032 13 HA ALA 2 HA ALA 2 4.088 3.189 2.326 14 HB1 ALA 2 1HB ALA 2 6.013 2.896 3.850 15 HB2 ALA 2 2HB ALA 2 4.504 2.286 4.569 16 HB3 ALA 2 3HB ALA 2 5.696 1.147 3.903 17 H GLU 3 H GLU 3 5.402 0.062 1.364 18 HA GLU 3 HA GLU 3 7.782 1.082 0.129 19 HB2 GLU 3 1HB GLU 3 6.192 -1.478 -0.279 20 HB3 GLU 3 2HB GLU 3 7.693 -1.143 -1.131 21 HG2 GLU 3 1HG GLU 3 7.434 -1.214 1.882 22 HG3 GLU 3 2HG GLU 3 7.922 -2.587 0.889 23 H TYR 4 H TYR 4 4.479 0.550 -1.025 24 HA TYR 4 HA TYR 4 5.194 1.144 -3.795 25 HB2 TYR 4 1HB TYR 4 2.501 0.825 -2.412 26 HB3 TYR 4 2HB TYR 4 2.701 1.077 -4.139 27 HD1 TYR 4 HD1 TYR 4 3.186 -1.276 -1.353 28 HD2 TYR 4 HD2 TYR 4 3.507 -0.674 -5.589 29 HE1 TYR 4 HE1 TYR 4 3.438 -3.713 -1.681 30 HE2 TYR 4 HE2 TYR 4 3.759 -3.111 -5.917 31 HH TYR 4 HH TYR 4 3.892 -5.094 -4.939 32 H GLY 5 H GLY 5 3.638 2.848 -1.098 33 HA2 GLY 5 1HA GLY 5 2.952 5.236 -2.485 34 HA3 GLY 5 2HA GLY 5 3.264 5.112 -0.764 35 H THR 6 H THR 6 5.918 4.305 -0.706 36 HA THR 6 HA THR 6 7.356 6.707 -1.055 37 HB THR 6 HB THR 6 8.416 3.849 -0.963 38 HG1 THR 6 HG1 THR 6 7.348 4.305 0.926 39 HG21 THR 6 1HG2 THR 6 10.525 4.895 -0.234 40 HG22 THR 6 2HG2 THR 6 10.077 5.439 -1.868 41 HG23 THR 6 3HG2 THR 6 9.812 6.508 -0.470 42 H LEU 7 H LEU 7 7.267 3.807 -3.144 43 HA LEU 7 HA LEU 7 9.001 4.754 -5.160 44 HB2 LEU 7 1HB LEU 7 8.233 2.446 -5.089 45 HB3 LEU 7 2HB LEU 7 6.561 2.953 -5.349 46 HG LEU 7 HG LEU 7 7.231 3.786 -7.624 47 HD11 LEU 7 1HD1 LEU 7 9.388 3.040 -8.527 48 HD12 LEU 7 2HD1 LEU 7 9.599 4.155 -7.158 49 HD13 LEU 7 3HD1 LEU 7 9.839 2.406 -6.927 50 HD21 LEU 7 1HD2 LEU 7 7.392 1.518 -8.595 51 HD22 LEU 7 2HD2 LEU 7 7.816 0.862 -6.996 52 HD23 LEU 7 3HD2 LEU 7 6.203 1.564 -7.271 53 H LEU 8 H LEU 8 5.456 5.111 -4.857 54 HA LEU 8 HA LEU 8 5.087 6.338 -7.397 55 HB2 LEU 8 1HB LEU 8 3.463 6.458 -4.836 56 HB3 LEU 8 2HB LEU 8 2.928 7.181 -6.357 57 HG LEU 8 HG LEU 8 3.517 4.224 -5.975 58 HD11 LEU 8 1HD1 LEU 8 1.076 3.960 -5.971 59 HD12 LEU 8 2HD1 LEU 8 1.634 4.941 -4.596 60 HD13 LEU 8 3HD1 LEU 8 0.885 5.730 -6.005 61 HD21 LEU 8 1HD2 LEU 8 2.339 4.030 -8.140 62 HD22 LEU 8 2HD2 LEU 8 2.165 5.800 -8.204 63 HD23 LEU 8 3HD2 LEU 8 3.782 5.062 -8.286 64 H GLN 9 H GLN 9 5.837 7.675 -4.207 65 HA GLN 9 HA GLN 9 5.581 10.431 -4.929 66 HB2 GLN 9 1HB GLN 9 7.264 9.026 -2.823 67 HB3 GLN 9 2HB GLN 9 7.198 10.775 -2.984 68 HG2 GLN 9 1HG GLN 9 4.820 10.780 -2.518 69 HG3 GLN 9 2HG GLN 9 4.807 8.994 -2.468 70 HE21 GLN 9 1HE2 GLN 9 4.927 10.342 1.008 71 HE22 GLN 9 2HE2 GLN 9 3.863 10.533 -0.346 72 H ASP 10 H ASP 10 8.353 8.189 -4.998 73 HA ASP 10 HA ASP 10 10.221 10.099 -6.034 74 HB2 ASP 10 1HB ASP 10 10.116 7.064 -6.137 75 HB3 ASP 10 2HB ASP 10 11.448 7.988 -6.818 76 H LEU 11 H LEU 11 7.944 7.856 -7.571 77 HA LEU 11 HA LEU 11 8.845 8.263 -10.252 78 HB2 LEU 11 1HB LEU 11 6.146 7.466 -9.116 79 HB3 LEU 11 2HB LEU 11 6.504 7.490 -10.846 80 HG LEU 11 HG LEU 11 7.905 5.753 -8.781 81 HD11 LEU 11 1HD1 LEU 11 6.681 3.921 -9.863 82 HD12 LEU 11 2HD1 LEU 11 5.576 5.111 -9.136 83 HD13 LEU 11 3HD1 LEU 11 5.835 5.097 -10.897 84 HD21 LEU 11 1HD2 LEU 11 8.896 4.674 -10.771 85 HD22 LEU 11 2HD2 LEU 11 8.082 5.861 -11.820 86 HD23 LEU 11 3HD2 LEU 11 9.345 6.395 -10.685 87 H THR 12 H THR 12 6.445 9.942 -8.241 88 HA THR 12 HA THR 12 5.409 11.672 -10.229 89 HB THR 12 HB THR 12 5.809 12.172 -7.249 90 HG1 THR 12 HG1 THR 12 4.423 10.445 -7.637 91 HG21 THR 12 1HG2 THR 12 4.069 13.894 -7.522 92 HG22 THR 12 2HG2 THR 12 5.503 14.279 -8.502 93 HG23 THR 12 3HG2 THR 12 4.051 13.605 -9.278 94 H ASN 13 H ASN 13 8.315 11.929 -8.212 95 HA ASN 13 HA ASN 13 9.015 14.573 -9.134 96 HB2 ASN 13 1HB ASN 13 10.588 12.354 -7.803 97 HB3 ASN 13 2HB ASN 13 11.322 13.884 -8.265 98 HD21 ASN 13 1HD2 ASN 13 10.134 13.959 -4.714 99 HD22 ASN 13 2HD2 ASN 13 11.117 12.864 -5.629 100 H ASN 14 H ASN 14 9.506 11.342 -10.377 101 HA ASN 14 HA ASN 14 11.520 12.345 -12.310 102 HB2 ASN 14 1HB ASN 14 10.565 9.553 -11.607 103 HB3 ASN 14 2HB ASN 14 11.689 9.895 -12.916 104 HD21 ASN 14 1HD2 ASN 14 13.241 9.181 -9.452 105 HD22 ASN 14 2HD2 ASN 14 11.791 8.541 -10.151 106 H ILE 15 H ILE 15 8.198 11.943 -12.095 107 HA ILE 15 HA ILE 15 7.981 11.672 -15.061 108 HB ILE 15 HB ILE 15 5.950 11.082 -12.868 109 HG12 ILE 15 1HG1 ILE 15 7.181 9.255 -14.942 110 HG13 ILE 15 2HG1 ILE 15 7.757 9.401 -13.289 111 HG21 ILE 15 1HG2 ILE 15 4.439 10.423 -14.696 112 HG22 ILE 15 2HG2 ILE 15 4.852 12.149 -14.800 113 HG23 ILE 15 3HG2 ILE 15 5.634 10.981 -15.890 114 HD11 ILE 15 1HD1 ILE 15 6.308 7.465 -13.544 115 HD12 ILE 15 2HD1 ILE 15 5.572 8.659 -12.447 116 HD13 ILE 15 3HD1 ILE 15 4.987 8.508 -14.121 117 H THR 16 H THR 16 7.299 13.331 -16.229 118 HA THR 16 HA THR 16 6.900 15.861 -14.792 119 HB THR 16 HB THR 16 7.118 16.924 -16.982 120 HG1 THR 16 HG1 THR 16 7.383 14.376 -18.193 121 HG21 THR 16 1HG2 THR 16 9.347 16.097 -17.629 122 HG22 THR 16 2HG2 THR 16 9.194 16.196 -15.858 123 HG23 THR 16 3HG2 THR 16 9.081 14.620 -16.676 124 H LEU 17 H LEU 17 5.278 17.437 -15.801 125 HA LEU 17 HA LEU 17 2.686 16.420 -15.195 126 HB2 LEU 17 1HB LEU 17 3.584 18.967 -16.582 127 HB3 LEU 17 2HB LEU 17 1.905 18.636 -16.146 128 HG LEU 17 HG LEU 17 4.202 18.821 -14.164 129 HD11 LEU 17 1HD1 LEU 17 3.219 20.992 -13.576 130 HD12 LEU 17 2HD1 LEU 17 3.780 20.960 -15.264 131 HD13 LEU 17 3HD1 LEU 17 2.043 20.818 -14.899 132 HD21 LEU 17 1HD2 LEU 17 2.369 18.886 -12.508 133 HD22 LEU 17 2HD2 LEU 17 1.179 18.683 -13.816 134 HD23 LEU 17 3HD2 LEU 17 2.329 17.375 -13.449 135 H GLU 18 H GLU 18 4.337 17.061 -18.272 136 HA GLU 18 HA GLU 18 2.087 16.447 -19.945 137 HB2 GLU 18 1HB GLU 18 4.033 17.666 -20.803 138 HB3 GLU 18 2HB GLU 18 5.081 16.291 -20.481 139 HG2 GLU 18 1HG GLU 18 4.584 16.410 -22.831 140 HG3 GLU 18 2HG GLU 18 3.858 14.958 -22.145 141 H ASP 19 H ASP 19 4.712 14.481 -18.579 142 HA ASP 19 HA ASP 19 4.002 12.042 -19.890 143 HB2 ASP 19 1HB ASP 19 5.400 12.582 -17.242 144 HB3 ASP 19 2HB ASP 19 5.214 10.973 -17.924 145 H LEU 20 H LEU 20 2.897 13.562 -16.882 146 HA LEU 20 HA LEU 20 1.231 11.406 -16.017 147 HB2 LEU 20 1HB LEU 20 1.091 14.403 -15.565 148 HB3 LEU 20 2HB LEU 20 -0.011 13.258 -14.793 149 HG LEU 20 HG LEU 20 3.009 13.241 -14.451 150 HD11 LEU 20 1HD1 LEU 20 2.538 14.176 -12.230 151 HD12 LEU 20 2HD1 LEU 20 2.010 15.271 -13.530 152 HD13 LEU 20 3HD1 LEU 20 0.812 14.295 -12.646 153 HD21 LEU 20 1HD2 LEU 20 2.482 11.693 -12.596 154 HD22 LEU 20 2HD2 LEU 20 0.754 11.777 -13.017 155 HD23 LEU 20 3HD2 LEU 20 1.912 11.045 -14.154 156 H GLU 21 H GLU 21 0.696 14.132 -18.221 157 HA GLU 21 HA GLU 21 -2.090 13.639 -18.667 158 HB2 GLU 21 1HB GLU 21 0.046 14.941 -20.399 159 HB3 GLU 21 2HB GLU 21 -1.654 14.888 -20.842 160 HG2 GLU 21 1HG GLU 21 -0.542 16.182 -18.342 161 HG3 GLU 21 2HG GLU 21 -0.979 17.026 -19.826 162 H GLN 22 H GLN 22 0.860 12.320 -20.105 163 HA GLN 22 HA GLN 22 -0.500 10.820 -22.161 164 HB2 GLN 22 1HB GLN 22 2.233 10.453 -20.873 165 HB3 GLN 22 2HB GLN 22 1.665 9.533 -22.258 166 HG2 GLN 22 1HG GLN 22 2.031 12.535 -22.161 167 HG3 GLN 22 2HG GLN 22 3.123 11.353 -22.938 168 HE21 GLN 22 1HE2 GLN 22 0.515 13.018 -25.254 169 HE22 GLN 22 2HE2 GLN 22 1.394 13.689 -23.920 170 H LEU 23 H LEU 23 0.498 10.127 -18.831 171 HA LEU 23 HA LEU 23 -0.247 7.364 -18.845 172 HB2 LEU 23 1HB LEU 23 0.000 9.440 -16.655 173 HB3 LEU 23 2HB LEU 23 -0.487 7.777 -16.317 174 HG LEU 23 HG LEU 23 2.136 8.544 -17.643 175 HD11 LEU 23 1HD1 LEU 23 3.142 8.079 -15.453 176 HD12 LEU 23 2HD1 LEU 23 2.008 9.448 -15.378 177 HD13 LEU 23 3HD1 LEU 23 1.521 7.853 -14.756 178 HD21 LEU 23 1HD2 LEU 23 2.732 6.212 -17.080 179 HD22 LEU 23 2HD2 LEU 23 1.104 5.958 -16.405 180 HD23 LEU 23 3HD2 LEU 23 1.307 6.269 -18.146 181 H LYS 24 H LYS 24 -2.029 10.327 -17.967 182 HA LYS 24 HA LYS 24 -4.458 9.004 -17.244 183 HB2 LYS 24 1HB LYS 24 -3.862 11.814 -18.226 184 HB3 LYS 24 2HB LYS 24 -5.485 11.293 -17.799 185 HG2 LYS 24 1HG LYS 24 -4.573 10.676 -15.511 186 HG3 LYS 24 2HG LYS 24 -3.074 11.490 -15.982 187 HD2 LYS 24 1HD LYS 24 -5.808 12.816 -16.067 188 HD3 LYS 24 2HD LYS 24 -4.703 12.923 -14.687 189 HE2 LYS 24 1HE LYS 24 -2.968 13.898 -16.194 190 HE3 LYS 24 2HE LYS 24 -4.129 13.859 -17.523 191 HZ1 LYS 24 1HZ LYS 24 -4.051 16.004 -16.484 192 HZ2 LYS 24 2HZ LYS 24 -5.540 15.330 -16.258 193 HZ3 LYS 24 3HZ LYS 24 -4.456 15.368 -15.017 194 H SER 25 H SER 25 -3.219 10.213 -20.340 195 HA SER 25 HA SER 25 -5.579 9.638 -21.859 196 HB2 SER 25 1HB SER 25 -2.656 9.743 -22.673 197 HB3 SER 25 2HB SER 25 -3.997 9.633 -23.803 198 HG SER 25 HG SER 25 -3.329 11.687 -22.028 199 H ALA 26 H ALA 26 -2.712 7.713 -21.015 200 HA ALA 26 HA ALA 26 -3.269 5.494 -22.689 201 HB1 ALA 26 1HB ALA 26 -1.803 4.224 -21.156 202 HB2 ALA 26 2HB ALA 26 -1.109 5.810 -21.569 203 HB3 ALA 26 3HB ALA 26 -1.880 5.562 -19.986 204 H CYS 27 H CYS 27 -4.496 6.381 -19.508 205 HA CYS 27 HA CYS 27 -6.292 3.995 -19.653 206 HB2 CYS 27 1HB CYS 27 -5.160 5.354 -17.176 207 HB3 CYS 27 2HB CYS 27 -6.363 4.073 -17.158 208 HG CYS 27 HG CYS 27 -4.968 2.215 -18.064 209 H LYS 28 H LYS 28 -6.832 6.520 -20.864 210 HA LYS 28 HA LYS 28 -8.453 8.165 -19.147 211 HB2 LYS 28 1HB LYS 28 -9.124 9.304 -21.158 212 HB3 LYS 28 2HB LYS 28 -7.418 8.909 -21.317 213 HG2 LYS 28 1HG LYS 28 -8.035 6.943 -22.720 214 HG3 LYS 28 2HG LYS 28 -9.731 7.437 -22.613 215 HD2 LYS 28 1HD LYS 28 -9.188 9.591 -23.674 216 HD3 LYS 28 2HD LYS 28 -7.479 9.140 -23.743 217 HE2 LYS 28 1HE LYS 28 -8.378 8.697 -25.907 218 HE3 LYS 28 2HE LYS 28 -8.169 7.127 -25.128 219 HZ1 LYS 28 1HZ LYS 28 -10.286 7.298 -26.215 220 HZ2 LYS 28 2HZ LYS 28 -10.508 7.151 -24.587 221 HZ3 LYS 28 3HZ LYS 28 -10.702 8.617 -25.316 222 H GLU 29 H GLU 29 -8.993 5.146 -20.691 223 HA GLU 29 HA GLU 29 -11.929 5.448 -20.627 224 HB2 GLU 29 1HB GLU 29 -10.179 3.075 -21.394 225 HB3 GLU 29 2HB GLU 29 -11.930 3.133 -21.544 226 HG2 GLU 29 1HG GLU 29 -9.985 4.943 -22.995 227 HG3 GLU 29 2HG GLU 29 -10.771 3.520 -23.674 228 H ASP 30 H ASP 30 -9.499 4.690 -18.460 229 HA ASP 30 HA ASP 30 -11.283 2.873 -16.903 230 HB2 ASP 30 1HB ASP 30 -8.286 3.370 -16.686 231 HB3 ASP 30 2HB ASP 30 -9.205 2.341 -15.596 232 H ILE 31 H ILE 31 -9.561 5.934 -16.874 233 HA ILE 31 HA ILE 31 -10.320 6.373 -14.039 234 HB ILE 31 HB ILE 31 -8.537 7.996 -15.905 235 HG12 ILE 31 1HG1 ILE 31 -7.767 6.313 -13.515 236 HG13 ILE 31 2HG1 ILE 31 -7.705 5.735 -15.172 237 HG21 ILE 31 1HG2 ILE 31 -7.927 9.248 -13.876 238 HG22 ILE 31 2HG2 ILE 31 -9.661 9.416 -14.233 239 HG23 ILE 31 3HG2 ILE 31 -9.120 8.320 -12.938 240 HD11 ILE 31 1HD1 ILE 31 -5.518 6.488 -14.422 241 HD12 ILE 31 2HD1 ILE 31 -6.115 7.516 -15.747 242 HD13 ILE 31 3HD1 ILE 31 -6.176 8.102 -14.068 243 HA PRO 32 HA PRO 32 -13.927 8.578 -15.307 244 HB2 PRO 32 1HB PRO 32 -13.536 9.678 -12.499 245 HB3 PRO 32 2HB PRO 32 -15.011 9.064 -13.256 246 HG2 PRO 32 1HG PRO 32 -13.731 7.489 -11.536 247 HG3 PRO 32 2HG PRO 32 -14.349 6.788 -13.035 248 HD2 PRO 32 1HD PRO 32 -11.511 7.653 -12.348 249 HD3 PRO 32 2HD PRO 32 -12.072 6.166 -13.212 250 H SER 33 H SER 33 -14.356 10.685 -15.978 251 HA SER 33 HA SER 33 -12.104 12.311 -16.577 252 HB2 SER 33 1HB SER 33 -13.701 13.895 -17.461 253 HB3 SER 33 2HB SER 33 -14.227 12.270 -17.871 254 HG SER 33 HG SER 33 -15.343 14.145 -16.241 255 H GLU 34 H GLU 34 -14.422 12.385 -13.921 256 HA GLU 34 HA GLU 34 -13.602 14.915 -12.839 257 HB2 GLU 34 1HB GLU 34 -14.859 12.461 -11.554 258 HB3 GLU 34 2HB GLU 34 -14.572 13.964 -10.689 259 HG2 GLU 34 1HG GLU 34 -16.050 15.161 -12.221 260 HG3 GLU 34 2HG GLU 34 -16.299 13.689 -13.158 261 H LYS 35 H LYS 35 -12.407 11.605 -12.478 262 HA LYS 35 HA LYS 35 -10.576 12.304 -10.325 263 HB2 LYS 35 1HB LYS 35 -10.811 9.848 -12.106 264 HB3 LYS 35 2HB LYS 35 -9.636 9.999 -10.806 265 HG2 LYS 35 1HG LYS 35 -12.653 10.036 -10.506 266 HG3 LYS 35 2HG LYS 35 -11.560 8.713 -10.076 267 HD2 LYS 35 1HD LYS 35 -10.492 10.087 -8.366 268 HD3 LYS 35 2HD LYS 35 -11.448 11.494 -8.853 269 HE2 LYS 35 1HE LYS 35 -13.528 10.201 -8.267 270 HE3 LYS 35 2HE LYS 35 -12.497 8.915 -7.636 271 HZ1 LYS 35 1HZ LYS 35 -13.220 10.393 -5.909 272 HZ2 LYS 35 2HZ LYS 35 -11.581 10.493 -6.078 273 HZ3 LYS 35 3HZ LYS 35 -12.546 11.695 -6.667 274 H SER 36 H SER 36 -10.457 12.191 -13.823 275 HA SER 36 HA SER 36 -7.605 12.282 -14.095 276 HB2 SER 36 1HB SER 36 -8.006 12.884 -16.358 277 HB3 SER 36 2HB SER 36 -9.297 11.781 -15.908 278 HG SER 36 HG SER 36 -10.439 13.805 -15.326 279 H GLU 37 H GLU 37 -9.965 14.645 -13.161 280 HA GLU 37 HA GLU 37 -8.106 16.892 -13.537 281 HB2 GLU 37 1HB GLU 37 -10.827 16.684 -12.188 282 HB3 GLU 37 2HB GLU 37 -9.902 18.175 -12.306 283 HG2 GLU 37 1HG GLU 37 -9.994 18.039 -14.763 284 HG3 GLU 37 2HG GLU 37 -10.921 16.545 -14.643 285 H GLU 38 H GLU 38 -9.196 14.734 -10.972 286 HA GLU 38 HA GLU 38 -8.002 16.192 -8.802 287 HB2 GLU 38 1HB GLU 38 -8.754 13.263 -9.131 288 HB3 GLU 38 2HB GLU 38 -8.127 13.931 -7.630 289 HG2 GLU 38 1HG GLU 38 -10.045 15.531 -7.599 290 HG3 GLU 38 2HG GLU 38 -10.690 14.724 -9.028 291 H ILE 39 H ILE 39 -6.802 13.773 -11.076 292 HA ILE 39 HA ILE 39 -4.400 13.104 -9.719 293 HB ILE 39 HB ILE 39 -5.063 13.163 -12.691 294 HG12 ILE 39 1HG1 ILE 39 -4.845 10.821 -10.790 295 HG13 ILE 39 2HG1 ILE 39 -6.358 11.629 -11.172 296 HG21 ILE 39 1HG2 ILE 39 -3.077 11.738 -12.989 297 HG22 ILE 39 2HG2 ILE 39 -2.626 13.341 -12.361 298 HG23 ILE 39 3HG2 ILE 39 -2.671 11.938 -11.267 299 HD11 ILE 39 1HD1 ILE 39 -6.074 9.621 -12.512 300 HD12 ILE 39 2HD1 ILE 39 -6.072 11.070 -13.548 301 HD13 ILE 39 3HD1 ILE 39 -4.541 10.249 -13.161 302 H THR 40 H THR 40 -3.058 14.596 -8.930 303 HA THR 40 HA THR 40 -1.906 16.481 -10.945 304 HB THR 40 HB THR 40 -1.195 17.909 -9.046 305 HG1 THR 40 HG1 THR 40 -2.709 16.065 -7.469 306 HG21 THR 40 1HG2 THR 40 -3.425 18.738 -8.407 307 HG22 THR 40 2HG2 THR 40 -3.366 18.346 -10.143 308 HG23 THR 40 3HG2 THR 40 -4.161 17.233 -9.006 309 H THR 41 H THR 41 -1.389 13.758 -8.972 310 HA THR 41 HA THR 41 1.545 13.977 -9.491 311 HB THR 41 HB THR 41 2.002 12.783 -7.411 312 HG1 THR 41 HG1 THR 41 0.457 11.769 -6.372 313 HG21 THR 41 1HG2 THR 41 1.257 14.472 -5.778 314 HG22 THR 41 2HG2 THR 41 1.805 15.243 -7.286 315 HG23 THR 41 3HG2 THR 41 0.066 15.085 -6.950 316 H GLY 42 H GLY 42 2.608 11.739 -9.292 317 HA2 GLY 42 1HA GLY 42 1.279 9.918 -11.134 318 HA3 GLY 42 2HA GLY 42 2.837 9.676 -10.367 319 H SER 43 H SER 43 1.701 10.188 -7.651 320 HA SER 43 HA SER 43 0.830 7.510 -7.015 321 HB2 SER 43 1HB SER 43 0.618 8.328 -4.751 322 HB3 SER 43 2HB SER 43 2.092 8.976 -5.455 323 HG SER 43 HG SER 43 -0.056 10.236 -4.505 324 H ALA 44 H ALA 44 -0.808 10.596 -7.552 325 HA ALA 44 HA ALA 44 -3.417 9.712 -6.770 326 HB1 ALA 44 1HB ALA 44 -4.226 11.622 -8.118 327 HB2 ALA 44 2HB ALA 44 -2.869 12.086 -7.065 328 HB3 ALA 44 3HB ALA 44 -2.596 11.820 -8.802 329 H TRP 45 H TRP 45 -1.830 9.863 -9.972 330 HA TRP 45 HA TRP 45 -3.944 8.739 -11.465 331 HB2 TRP 45 1HB TRP 45 -2.026 9.750 -12.563 332 HB3 TRP 45 2HB TRP 45 -0.934 8.568 -11.859 333 HD1 TRP 45 HD1 TRP 45 -3.658 8.887 -14.569 334 HE1 TRP 45 HE1 TRP 45 -3.410 6.928 -16.240 335 HE3 TRP 45 HE3 TRP 45 -0.056 6.197 -12.100 336 HZ2 TRP 45 HZ2 TRP 45 -1.875 4.569 -16.459 337 HZ3 TRP 45 HZ3 TRP 45 0.758 4.096 -13.094 338 HH2 TRP 45 HH2 TRP 45 -0.131 3.290 -15.241 339 H PHE 46 H PHE 46 -1.238 7.141 -9.773 340 HA PHE 46 HA PHE 46 -1.915 4.518 -10.759 341 HB2 PHE 46 1HB PHE 46 0.362 5.289 -9.911 342 HB3 PHE 46 2HB PHE 46 -0.286 5.186 -8.281 343 HD1 PHE 46 HD1 PHE 46 0.870 3.310 -11.187 344 HD2 PHE 46 HD2 PHE 46 -0.861 3.020 -7.293 345 HE1 PHE 46 HE1 PHE 46 1.437 0.905 -11.116 346 HE2 PHE 46 HE2 PHE 46 -0.293 0.616 -7.216 347 HZ PHE 46 HZ PHE 46 0.855 -0.442 -9.130 348 H SER 47 H SER 47 -2.532 6.241 -7.700 349 HA SER 47 HA SER 47 -3.581 3.907 -6.370 350 HB2 SER 47 1HB SER 47 -4.196 5.436 -4.598 351 HB3 SER 47 2HB SER 47 -2.597 5.858 -5.191 352 HG SER 47 HG SER 47 -3.396 7.553 -6.236 353 H PHE 48 H PHE 48 -4.948 6.345 -8.454 354 HA PHE 48 HA PHE 48 -7.711 5.842 -7.784 355 HB2 PHE 48 1HB PHE 48 -6.327 7.065 -10.192 356 HB3 PHE 48 2HB PHE 48 -8.070 6.848 -10.138 357 HD1 PHE 48 HD1 PHE 48 -7.483 7.350 -6.856 358 HD2 PHE 48 HD2 PHE 48 -7.189 9.492 -10.540 359 HE1 PHE 48 HE1 PHE 48 -7.713 9.485 -5.630 360 HE2 PHE 48 HE2 PHE 48 -7.417 11.629 -9.319 361 HZ PHE 48 HZ PHE 48 -7.681 11.625 -6.862 362 H LEU 49 H LEU 49 -5.530 4.629 -10.341 363 HA LEU 49 HA LEU 49 -7.440 2.808 -11.467 364 HB2 LEU 49 1HB LEU 49 -4.407 2.858 -11.472 365 HB3 LEU 49 2HB LEU 49 -5.355 1.661 -12.359 366 HG LEU 49 HG LEU 49 -5.522 4.660 -12.816 367 HD11 LEU 49 1HD1 LEU 49 -4.215 4.206 -14.843 368 HD12 LEU 49 2HD1 LEU 49 -3.305 3.800 -13.370 369 HD13 LEU 49 3HD1 LEU 49 -4.037 2.506 -14.349 370 HD21 LEU 49 1HD2 LEU 49 -6.714 3.966 -14.866 371 HD22 LEU 49 2HD2 LEU 49 -6.571 2.261 -14.373 372 HD23 LEU 49 3HD2 LEU 49 -7.557 3.387 -13.409 373 H GLU 50 H GLU 50 -5.066 2.540 -8.847 374 HA GLU 50 HA GLU 50 -5.489 -0.215 -8.256 375 HB2 GLU 50 1HB GLU 50 -3.670 1.145 -7.258 376 HB3 GLU 50 2HB GLU 50 -4.855 2.091 -6.368 377 HG2 GLU 50 1HG GLU 50 -5.540 0.088 -5.126 378 HG3 GLU 50 2HG GLU 50 -4.376 -0.878 -6.031 379 H SER 51 H SER 51 -7.148 2.723 -7.086 380 HA SER 51 HA SER 51 -8.864 1.384 -5.253 381 HB2 SER 51 1HB SER 51 -9.238 3.980 -6.782 382 HB3 SER 51 2HB SER 51 -10.276 3.447 -5.469 383 HG SER 51 HG SER 51 -7.534 4.040 -5.410 384 H HIS 52 H HIS 52 -9.139 2.029 -8.717 385 HA HIS 52 HA HIS 52 -11.924 1.008 -8.749 386 HB2 HIS 52 1HB HIS 52 -10.161 2.202 -10.919 387 HB3 HIS 52 2HB HIS 52 -11.792 1.603 -11.191 388 HD1 HIS 52 HD1 HIS 52 -13.560 2.784 -9.231 389 HD2 HIS 52 HD2 HIS 52 -10.204 4.996 -10.494 390 HE1 HIS 52 HE1 HIS 52 -14.100 5.128 -8.805 391 H ASN 53 H ASN 53 -9.067 -0.447 -8.535 392 HA ASN 53 HA ASN 53 -8.288 -2.539 -9.102 393 HB2 ASN 53 1HB ASN 53 -11.233 -3.010 -9.672 394 HB3 ASN 53 2HB ASN 53 -10.016 -4.275 -9.574 395 HD21 ASN 53 1HD2 ASN 53 -11.893 -3.449 -6.307 396 HD22 ASN 53 2HD2 ASN 53 -12.465 -3.401 -7.941 397 H LYS 54 H LYS 54 -8.001 -0.589 -11.067 398 HA LYS 54 HA LYS 54 -8.544 -2.094 -13.584 399 HB2 LYS 54 1HB LYS 54 -7.750 0.818 -13.173 400 HB3 LYS 54 2HB LYS 54 -8.049 0.055 -14.729 401 HG2 LYS 54 1HG LYS 54 -10.106 0.365 -12.521 402 HG3 LYS 54 2HG LYS 54 -9.954 1.409 -13.941 403 HD2 LYS 54 1HD LYS 54 -10.321 -0.585 -15.403 404 HD3 LYS 54 2HD LYS 54 -10.567 -1.569 -13.954 405 HE2 LYS 54 1HE LYS 54 -12.469 -0.109 -13.302 406 HE3 LYS 54 2HE LYS 54 -12.236 0.838 -14.774 407 HZ1 LYS 54 1HZ LYS 54 -13.950 -0.799 -15.041 408 HZ2 LYS 54 2HZ LYS 54 -12.692 -1.142 -16.052 409 HZ3 LYS 54 3HZ LYS 54 -12.911 -2.026 -14.676 410 H LEU 55 H LEU 55 -6.014 -0.782 -11.538 411 HA LEU 55 HA LEU 55 -4.023 -2.108 -13.324 412 HB2 LEU 55 1HB LEU 55 -3.889 0.345 -13.580 413 HB3 LEU 55 2HB LEU 55 -3.683 0.522 -11.835 414 HG LEU 55 HG LEU 55 -1.535 -0.775 -12.022 415 HD11 LEU 55 1HD1 LEU 55 -0.557 -1.046 -14.257 416 HD12 LEU 55 2HD1 LEU 55 -2.058 -1.986 -14.077 417 HD13 LEU 55 3HD1 LEU 55 -2.068 -0.458 -14.990 418 HD21 LEU 55 1HD2 LEU 55 -0.287 1.116 -13.011 419 HD22 LEU 55 2HD2 LEU 55 -1.794 1.736 -13.728 420 HD23 LEU 55 3HD2 LEU 55 -1.600 1.697 -11.959 421 H ASP 56 H ASP 56 -2.832 -3.591 -12.364 422 HA ASP 56 HA ASP 56 -3.139 -4.176 -9.566 423 HB2 ASP 56 1HB ASP 56 -1.197 -5.189 -11.674 424 HB3 ASP 56 2HB ASP 56 -1.206 -5.787 -10.020 425 H LYS 57 H LYS 57 -1.642 -4.082 -7.879 426 HA LYS 57 HA LYS 57 -0.251 -1.575 -7.770 427 HB2 LYS 57 1HB LYS 57 0.383 -2.225 -5.527 428 HB3 LYS 57 2HB LYS 57 -1.282 -2.718 -5.797 429 HG2 LYS 57 1HG LYS 57 -0.575 -5.033 -6.154 430 HG3 LYS 57 2HG LYS 57 1.120 -4.559 -5.977 431 HD2 LYS 57 1HD LYS 57 0.766 -3.907 -3.669 432 HD3 LYS 57 2HD LYS 57 -0.981 -4.143 -3.824 433 HE2 LYS 57 1HE LYS 57 0.088 -6.041 -2.670 434 HE3 LYS 57 2HE LYS 57 -0.656 -6.546 -4.189 435 HZ1 LYS 57 1HZ LYS 57 1.519 -7.488 -3.916 436 HZ2 LYS 57 2HZ LYS 57 1.514 -6.465 -5.211 437 HZ3 LYS 57 3HZ LYS 57 2.209 -5.995 -3.791 438 H ASP 58 H ASP 58 0.671 -4.697 -8.868 439 HA ASP 58 HA ASP 58 3.557 -3.993 -8.613 440 HB2 ASP 58 1HB ASP 58 2.186 -6.658 -9.152 441 HB3 ASP 58 2HB ASP 58 3.929 -6.422 -9.175 442 H ASN 59 H ASN 59 1.262 -3.330 -10.700 443 HA ASN 59 HA ASN 59 2.802 -4.143 -13.118 444 HB2 ASN 59 1HB ASN 59 0.380 -4.695 -13.066 445 HB3 ASN 59 2HB ASN 59 0.003 -2.986 -12.891 446 HD21 ASN 59 1HD2 ASN 59 -0.157 -4.160 -16.476 447 HD22 ASN 59 2HD2 ASN 59 -0.770 -4.823 -14.997 448 H LEU 60 H LEU 60 4.416 -2.757 -13.397 449 HA LEU 60 HA LEU 60 3.722 0.148 -13.393 450 HB2 LEU 60 1HB LEU 60 6.416 -1.216 -13.048 451 HB3 LEU 60 2HB LEU 60 6.163 0.530 -13.110 452 HG LEU 60 HG LEU 60 5.008 -1.302 -10.978 453 HD11 LEU 60 1HD1 LEU 60 6.743 -0.345 -9.530 454 HD12 LEU 60 2HD1 LEU 60 7.448 -1.251 -10.890 455 HD13 LEU 60 3HD1 LEU 60 7.423 0.529 -10.921 456 HD21 LEU 60 1HD2 LEU 60 4.548 0.836 -9.827 457 HD22 LEU 60 2HD2 LEU 60 5.198 1.729 -11.224 458 HD23 LEU 60 3HD2 LEU 60 3.713 0.762 -11.398 459 H SER 61 H SER 61 3.212 -1.735 -15.578 460 HA SER 61 HA SER 61 5.286 -1.504 -17.556 461 HB2 SER 61 1HB SER 61 3.630 -2.387 -19.101 462 HB3 SER 61 2HB SER 61 3.565 -3.272 -17.585 463 HG SER 61 HG SER 61 1.758 -2.260 -17.033 464 H TYR 62 H TYR 62 2.519 0.476 -16.666 465 HA TYR 62 HA TYR 62 2.729 2.210 -18.992 466 HB2 TYR 62 1HB TYR 62 1.316 2.509 -16.315 467 HB3 TYR 62 2HB TYR 62 1.247 3.725 -17.583 468 HD1 TYR 62 HD1 TYR 62 -0.174 0.719 -16.296 469 HD2 TYR 62 HD2 TYR 62 0.375 2.987 -19.896 470 HE1 TYR 62 HE1 TYR 62 -2.067 -0.478 -17.339 471 HE2 TYR 62 HE2 TYR 62 -1.519 1.790 -20.939 472 HH TYR 62 HH TYR 62 -3.091 0.251 -20.678 473 H ILE 63 H ILE 63 4.041 2.171 -15.718 474 HA ILE 63 HA ILE 63 5.156 4.826 -15.838 475 HB ILE 63 HB ILE 63 5.905 2.415 -14.131 476 HG12 ILE 63 1HG1 ILE 63 3.634 3.152 -13.749 477 HG13 ILE 63 2HG1 ILE 63 4.649 3.570 -12.378 478 HG21 ILE 63 1HG2 ILE 63 7.061 4.045 -12.694 479 HG22 ILE 63 2HG2 ILE 63 7.783 4.001 -14.319 480 HG23 ILE 63 3HG2 ILE 63 6.701 5.338 -13.863 481 HD11 ILE 63 1HD1 ILE 63 3.111 5.376 -12.915 482 HD12 ILE 63 2HD1 ILE 63 4.795 5.889 -13.178 483 HD13 ILE 63 3HD1 ILE 63 3.765 5.465 -14.566 484 H GLU 64 H GLU 64 6.462 1.574 -16.492 485 HA GLU 64 HA GLU 64 9.082 2.437 -17.230 486 HB2 GLU 64 1HB GLU 64 7.442 0.015 -18.064 487 HB3 GLU 64 2HB GLU 64 9.121 0.249 -18.528 488 HG2 GLU 64 1HG GLU 64 9.847 0.151 -16.242 489 HG3 GLU 64 2HG GLU 64 8.185 0.177 -15.655 490 H HIS 65 H HIS 65 6.074 2.075 -19.083 491 HA HIS 65 HA HIS 65 7.101 2.597 -21.673 492 HB2 HIS 65 1HB HIS 65 4.775 1.865 -21.214 493 HB3 HIS 65 2HB HIS 65 4.421 3.435 -20.507 494 HD1 HIS 65 HD1 HIS 65 5.627 2.022 -23.852 495 HD2 HIS 65 HD2 HIS 65 3.339 5.251 -22.401 496 HE1 HIS 65 HE1 HIS 65 4.848 3.236 -25.824 497 H ILE 66 H ILE 66 5.930 4.882 -19.189 498 HA ILE 66 HA ILE 66 6.426 7.258 -20.644 499 HB ILE 66 HB ILE 66 6.485 6.677 -17.660 500 HG12 ILE 66 1HG1 ILE 66 4.321 6.409 -18.748 501 HG13 ILE 66 2HG1 ILE 66 4.327 7.785 -17.657 502 HG21 ILE 66 1HG2 ILE 66 6.425 9.116 -17.329 503 HG22 ILE 66 2HG2 ILE 66 7.930 8.618 -18.135 504 HG23 ILE 66 3HG2 ILE 66 6.620 9.362 -19.081 505 HD11 ILE 66 1HD1 ILE 66 3.143 8.304 -19.716 506 HD12 ILE 66 2HD1 ILE 66 4.602 9.312 -19.563 507 HD13 ILE 66 3HD1 ILE 66 4.595 7.918 -20.668 508 H PHE 67 H PHE 67 8.580 5.270 -18.642 509 HA PHE 67 HA PHE 67 10.790 7.132 -18.790 510 HB2 PHE 67 1HB PHE 67 10.634 4.186 -18.052 511 HB3 PHE 67 2HB PHE 67 12.118 5.122 -17.976 512 HD1 PHE 67 HD1 PHE 67 10.218 7.655 -17.145 513 HD2 PHE 67 HD2 PHE 67 11.043 3.750 -15.621 514 HE1 PHE 67 HE1 PHE 67 9.621 8.418 -14.870 515 HE2 PHE 67 HE2 PHE 67 10.445 4.509 -13.346 516 HZ PHE 67 HZ PHE 67 9.735 6.844 -12.971 517 H GLU 68 H GLU 68 9.662 4.433 -20.748 518 HA GLU 68 HA GLU 68 11.977 4.311 -22.458 519 HB2 GLU 68 1HB GLU 68 9.064 3.543 -22.875 520 HB3 GLU 68 2HB GLU 68 10.303 3.287 -24.096 521 HG2 GLU 68 1HG GLU 68 11.519 1.794 -22.634 522 HG3 GLU 68 2HG GLU 68 10.420 2.140 -21.301 523 H ILE 69 H ILE 69 8.975 6.209 -22.501 524 HA ILE 69 HA ILE 69 9.449 7.511 -25.000 525 HB ILE 69 HB ILE 69 7.877 8.346 -22.534 526 HG12 ILE 69 1HG1 ILE 69 6.911 7.452 -25.254 527 HG13 ILE 69 2HG1 ILE 69 7.144 6.357 -23.900 528 HG21 ILE 69 1HG2 ILE 69 6.881 10.101 -23.943 529 HG22 ILE 69 2HG2 ILE 69 8.630 10.361 -23.740 530 HG23 ILE 69 3HG2 ILE 69 8.002 9.684 -25.261 531 HD11 ILE 69 1HD1 ILE 69 4.814 7.025 -24.094 532 HD12 ILE 69 2HD1 ILE 69 5.514 7.629 -22.573 533 HD13 ILE 69 3HD1 ILE 69 5.275 8.737 -23.945 534 H SER 70 H SER 70 10.282 8.418 -21.649 535 HA SER 70 HA SER 70 11.658 10.835 -22.439 536 HB2 SER 70 1HB SER 70 12.371 10.954 -20.153 537 HB3 SER 70 2HB SER 70 10.707 10.393 -20.164 538 HG SER 70 HG SER 70 12.285 8.299 -20.378 539 H ARG 71 H ARG 71 12.455 7.510 -22.555 540 HA ARG 71 HA ARG 71 14.371 6.414 -23.207 541 HB2 ARG 71 1HB ARG 71 15.247 9.189 -24.077 542 HB3 ARG 71 2HB ARG 71 16.045 7.689 -24.522 543 HG2 ARG 71 1HG ARG 71 13.980 6.956 -25.681 544 HG3 ARG 71 2HG ARG 71 13.238 8.526 -25.286 545 HD2 ARG 71 1HD ARG 71 14.997 9.664 -26.510 546 HD3 ARG 71 2HD ARG 71 15.740 8.096 -26.903 547 HE ARG 71 HE ARG 71 13.070 7.992 -27.747 548 HH11 ARG 71 1HH1 ARG 71 15.999 9.782 -28.493 549 HH12 ARG 71 2HH1 ARG 71 15.563 10.044 -30.166 550 HH21 ARG 71 1HH2 ARG 71 12.514 8.339 -29.922 551 HH22 ARG 71 2HH2 ARG 71 13.591 9.228 -30.976 552 H ARG 72 H ARG 72 14.296 6.747 -20.578 553 HA ARG 72 HA ARG 72 17.110 7.494 -19.902 554 HB2 ARG 72 1HB ARG 72 14.605 7.888 -18.231 555 HB3 ARG 72 2HB ARG 72 16.239 8.055 -17.607 556 HG2 ARG 72 1HG ARG 72 15.047 9.720 -19.837 557 HG3 ARG 72 2HG ARG 72 15.225 10.217 -18.136 558 HD2 ARG 72 1HD ARG 72 17.426 9.534 -20.070 559 HD3 ARG 72 2HD ARG 72 16.999 11.142 -19.439 560 HE ARG 72 HE ARG 72 18.471 9.026 -18.075 561 HH11 ARG 72 1HH1 ARG 72 16.692 12.040 -17.762 562 HH12 ARG 72 2HH1 ARG 72 17.429 12.461 -16.232 563 HH21 ARG 72 1HH2 ARG 72 19.420 9.584 -16.089 564 HH22 ARG 72 2HH2 ARG 72 18.973 11.072 -15.285 565 HA PRO 73 HA PRO 73 16.733 3.021 -19.040 566 HB2 PRO 73 1HB PRO 73 19.722 3.575 -19.049 567 HB3 PRO 73 2HB PRO 73 18.843 2.199 -19.729 568 HG2 PRO 73 1HG PRO 73 19.700 4.093 -21.390 569 HG3 PRO 73 2HG PRO 73 18.074 3.437 -21.610 570 HD2 PRO 73 1HD PRO 73 18.929 6.039 -20.275 571 HD3 PRO 73 2HD PRO 73 17.559 5.741 -21.419 572 H ASP 74 H ASP 74 18.505 5.717 -17.595 573 HA ASP 74 HA ASP 74 19.252 4.567 -15.127 574 HB2 ASP 74 1HB ASP 74 18.354 7.391 -15.814 575 HB3 ASP 74 2HB ASP 74 18.981 6.939 -14.236 576 H LEU 75 H LEU 75 16.157 5.991 -16.154 577 HA LEU 75 HA LEU 75 14.987 5.657 -13.500 578 HB2 LEU 75 1HB LEU 75 13.777 6.406 -16.185 579 HB3 LEU 75 2HB LEU 75 12.885 6.386 -14.660 580 HG LEU 75 HG LEU 75 15.261 8.178 -15.283 581 HD11 LEU 75 1HD1 LEU 75 13.578 9.964 -15.351 582 HD12 LEU 75 2HD1 LEU 75 13.287 8.737 -16.607 583 HD13 LEU 75 3HD1 LEU 75 12.288 8.757 -15.133 584 HD21 LEU 75 1HD2 LEU 75 14.617 9.286 -13.169 585 HD22 LEU 75 2HD2 LEU 75 13.341 8.070 -12.919 586 HD23 LEU 75 3HD2 LEU 75 15.053 7.583 -12.891 587 H LEU 76 H LEU 76 14.953 3.940 -16.590 588 HA LEU 76 HA LEU 76 13.014 1.966 -15.858 589 HB2 LEU 76 1HB LEU 76 15.388 1.887 -17.747 590 HB3 LEU 76 2HB LEU 76 14.233 0.560 -17.581 591 HG LEU 76 HG LEU 76 13.488 3.374 -18.452 592 HD11 LEU 76 1HD1 LEU 76 13.349 2.413 -20.707 593 HD12 LEU 76 2HD1 LEU 76 15.003 2.329 -20.057 594 HD13 LEU 76 3HD1 LEU 76 13.984 0.871 -20.089 595 HD21 LEU 76 1HD2 LEU 76 11.390 2.263 -19.145 596 HD22 LEU 76 2HD2 LEU 76 11.998 0.717 -18.504 597 HD23 LEU 76 3HD2 LEU 76 11.670 2.072 -17.397 598 H THR 77 H THR 77 16.524 2.207 -15.368 599 HA THR 77 HA THR 77 16.839 -0.365 -14.144 600 HB THR 77 HB THR 77 18.453 2.194 -13.751 601 HG1 THR 77 HG1 THR 77 18.584 1.533 -15.872 602 HG21 THR 77 1HG2 THR 77 20.234 0.678 -12.975 603 HG22 THR 77 2HG2 THR 77 18.801 0.566 -11.925 604 HG23 THR 77 3HG2 THR 77 19.128 -0.706 -13.125 605 H MET 78 H MET 78 16.121 2.862 -12.818 606 HA MET 78 HA MET 78 16.082 2.256 -10.088 607 HB2 MET 78 1HB MET 78 15.718 4.519 -10.951 608 HB3 MET 78 2HB MET 78 14.196 4.033 -11.685 609 HG2 MET 78 1HG MET 78 13.312 3.539 -9.393 610 HG3 MET 78 2HG MET 78 14.811 4.185 -8.722 611 HE1 MET 78 1HE MET 78 11.685 6.654 -11.071 612 HE2 MET 78 2HE MET 78 12.671 5.386 -11.840 613 HE3 MET 78 3HE MET 78 11.474 4.952 -10.595 614 H VAL 79 H VAL 79 13.476 1.762 -12.476 615 HA VAL 79 HA VAL 79 11.595 0.635 -10.665 616 HB VAL 79 HB VAL 79 12.026 0.174 -13.646 617 HG11 VAL 79 1HG1 VAL 79 9.751 -0.725 -13.688 618 HG12 VAL 79 2HG1 VAL 79 10.843 -1.724 -12.701 619 HG13 VAL 79 3HG1 VAL 79 9.681 -0.630 -11.912 620 HG21 VAL 79 1HG2 VAL 79 10.109 1.725 -13.850 621 HG22 VAL 79 2HG2 VAL 79 10.059 1.894 -12.079 622 HG23 VAL 79 3HG2 VAL 79 11.466 2.490 -12.992 623 H VAL 80 H VAL 80 14.122 -0.880 -12.682 624 HA VAL 80 HA VAL 80 13.560 -3.573 -11.966 625 HB VAL 80 HB VAL 80 16.164 -2.213 -12.772 626 HG11 VAL 80 1HG1 VAL 80 17.024 -4.454 -13.248 627 HG12 VAL 80 2HG1 VAL 80 16.672 -4.229 -11.518 628 HG13 VAL 80 3HG1 VAL 80 15.556 -5.168 -12.539 629 HG21 VAL 80 1HG2 VAL 80 15.675 -3.266 -14.958 630 HG22 VAL 80 2HG2 VAL 80 14.164 -3.935 -14.296 631 HG23 VAL 80 3HG2 VAL 80 14.361 -2.174 -14.461 632 H ASP 81 H ASP 81 15.648 -1.113 -10.462 633 HA ASP 81 HA ASP 81 16.756 -2.772 -8.437 634 HB2 ASP 81 1HB ASP 81 16.175 0.210 -8.535 635 HB3 ASP 81 2HB ASP 81 16.974 -0.552 -7.166 636 H TYR 82 H TYR 82 13.755 -0.858 -8.530 637 HA TYR 82 HA TYR 82 12.881 -1.468 -5.889 638 HB2 TYR 82 1HB TYR 82 11.830 0.274 -7.287 639 HB3 TYR 82 2HB TYR 82 11.252 -0.950 -8.408 640 HD1 TYR 82 HD1 TYR 82 10.953 0.295 -4.922 641 HD2 TYR 82 HD2 TYR 82 9.250 -2.138 -8.018 642 HE1 TYR 82 HE1 TYR 82 8.882 0.057 -3.596 643 HE2 TYR 82 HE2 TYR 82 7.178 -2.377 -6.692 644 HH TYR 82 HH TYR 82 6.847 -0.830 -3.504 645 H ARG 83 H ARG 83 12.310 -3.147 -8.986 646 HA ARG 83 HA ARG 83 10.674 -5.221 -8.034 647 HB2 ARG 83 1HB ARG 83 12.795 -5.219 -10.200 648 HB3 ARG 83 2HB ARG 83 11.728 -6.584 -9.905 649 HG2 ARG 83 1HG ARG 83 9.775 -5.183 -10.401 650 HG3 ARG 83 2HG ARG 83 10.849 -3.792 -10.684 651 HD2 ARG 83 1HD ARG 83 11.958 -5.064 -12.466 652 HD3 ARG 83 2HD ARG 83 10.785 -6.377 -12.220 653 HE ARG 83 HE ARG 83 10.333 -3.807 -13.514 654 HH11 ARG 83 1HH1 ARG 83 8.874 -6.630 -12.015 655 HH12 ARG 83 2HH1 ARG 83 7.335 -6.416 -12.817 656 HH21 ARG 83 1HH2 ARG 83 8.330 -3.539 -14.549 657 HH22 ARG 83 2HH2 ARG 83 7.026 -4.666 -14.252 658 H THR 84 H THR 84 14.234 -5.008 -8.097 659 HA THR 84 HA THR 84 14.701 -7.601 -6.986 660 HB THR 84 HB THR 84 16.421 -5.085 -6.862 661 HG1 THR 84 HG1 THR 84 16.220 -5.685 -8.971 662 HG21 THR 84 1HG2 THR 84 18.277 -6.647 -6.429 663 HG22 THR 84 2HG2 THR 84 17.054 -6.739 -5.139 664 HG23 THR 84 3HG2 THR 84 17.130 -8.006 -6.386 665 H ARG 85 H ARG 85 14.371 -4.384 -5.486 666 HA ARG 85 HA ARG 85 14.846 -5.132 -2.812 667 HB2 ARG 85 1HB ARG 85 14.582 -2.799 -3.543 668 HB3 ARG 85 2HB ARG 85 12.884 -3.080 -3.892 669 HG2 ARG 85 1HG ARG 85 12.432 -3.478 -1.523 670 HG3 ARG 85 2HG ARG 85 14.158 -3.252 -1.150 671 HD2 ARG 85 1HD ARG 85 14.072 -0.984 -1.888 672 HD3 ARG 85 2HD ARG 85 12.397 -1.189 -2.450 673 HE ARG 85 HE ARG 85 11.644 -1.050 -0.268 674 HH11 ARG 85 1HH1 ARG 85 15.152 -1.230 -0.327 675 HH12 ARG 85 2HH1 ARG 85 15.327 -0.787 1.357 676 HH21 ARG 85 1HH2 ARG 85 11.884 -0.477 1.916 677 HH22 ARG 85 2HH2 ARG 85 13.478 -0.361 2.627 678 H VAL 86 H VAL 86 11.804 -5.183 -4.680 679 HA VAL 86 HA VAL 86 10.127 -6.099 -2.581 680 HB VAL 86 HB VAL 86 9.972 -6.509 -5.595 681 HG11 VAL 86 1HG1 VAL 86 7.626 -7.114 -5.255 682 HG12 VAL 86 2HG1 VAL 86 8.733 -8.281 -4.491 683 HG13 VAL 86 3HG1 VAL 86 7.874 -7.083 -3.493 684 HG21 VAL 86 1HG2 VAL 86 8.265 -4.724 -5.434 685 HG22 VAL 86 2HG2 VAL 86 8.541 -4.620 -3.679 686 HG23 VAL 86 3HG2 VAL 86 9.838 -4.169 -4.812 687 H LEU 87 H LEU 87 12.086 -7.873 -4.971 688 HA LEU 87 HA LEU 87 11.252 -10.489 -4.204 689 HB2 LEU 87 1HB LEU 87 13.832 -9.463 -5.430 690 HB3 LEU 87 2HB LEU 87 13.479 -11.179 -5.204 691 HG LEU 87 HG LEU 87 11.813 -9.291 -6.902 692 HD11 LEU 87 1HD1 LEU 87 12.868 -10.423 -8.806 693 HD12 LEU 87 2HD1 LEU 87 14.063 -9.560 -7.809 694 HD13 LEU 87 3HD1 LEU 87 13.914 -11.330 -7.687 695 HD21 LEU 87 1HD2 LEU 87 10.823 -11.400 -7.726 696 HD22 LEU 87 2HD2 LEU 87 11.840 -12.321 -6.592 697 HD23 LEU 87 3HD2 LEU 87 10.583 -11.224 -5.971 698 H LYS 88 H LYS 88 13.767 -8.327 -2.963 699 HA LYS 88 HA LYS 88 14.883 -10.246 -1.121 700 HB2 LYS 88 1HB LYS 88 14.938 -7.210 -1.221 701 HB3 LYS 88 2HB LYS 88 15.765 -8.136 0.022 702 HG2 LYS 88 1HG LYS 88 17.121 -9.260 -1.704 703 HG3 LYS 88 2HG LYS 88 16.286 -8.333 -2.958 704 HD2 LYS 88 1HD LYS 88 17.114 -6.232 -1.994 705 HD3 LYS 88 2HD LYS 88 17.896 -7.123 -0.680 706 HE2 LYS 88 1HE LYS 88 19.335 -8.285 -2.315 707 HE3 LYS 88 2HE LYS 88 18.547 -7.419 -3.636 708 HZ1 LYS 88 1HZ LYS 88 20.606 -6.390 -3.010 709 HZ2 LYS 88 2HZ LYS 88 19.353 -5.365 -2.693 710 HZ3 LYS 88 3HZ LYS 88 20.091 -6.174 -1.459 711 H ILE 89 H ILE 89 12.266 -7.873 -0.936 712 HA ILE 89 HA ILE 89 11.803 -8.160 1.882 713 HB ILE 89 HB ILE 89 10.014 -7.248 -0.405 714 HG12 ILE 89 1HG1 ILE 89 11.261 -5.653 1.838 715 HG13 ILE 89 2HG1 ILE 89 12.033 -5.885 0.277 716 HG21 ILE 89 1HG2 ILE 89 8.468 -6.430 1.328 717 HG22 ILE 89 2HG2 ILE 89 8.621 -8.201 1.393 718 HG23 ILE 89 3HG2 ILE 89 9.469 -7.191 2.587 719 HD11 ILE 89 1HD1 ILE 89 10.865 -3.755 0.369 720 HD12 ILE 89 2HD1 ILE 89 10.118 -4.826 -0.842 721 HD13 ILE 89 3HD1 ILE 89 9.338 -4.587 0.740 722 H SER 90 H SER 90 10.377 -9.740 -0.980 723 HA SER 90 HA SER 90 8.479 -11.293 0.500 724 HB2 SER 90 1HB SER 90 8.222 -10.897 -1.887 725 HB3 SER 90 2HB SER 90 9.736 -11.722 -2.228 726 HG SER 90 HG SER 90 8.825 -13.557 -1.984 Start of MODEL 3 1 H1 MET 1 1H MET 1 1.394 -0.439 -1.422 2 H2 MET 1 2H MET 1 3.017 -0.364 -1.261 3 H3 MET 1 3H MET 1 2.059 0.513 -0.273 4 HA MET 1 HA MET 1 2.358 0.866 -3.147 5 HB2 MET 1 1HB MET 1 0.681 2.366 -1.100 6 HB3 MET 1 2HB MET 1 0.970 2.926 -2.740 7 HG2 MET 1 1HG MET 1 -0.400 0.320 -2.019 8 HG3 MET 1 2HG MET 1 -1.222 1.821 -2.451 9 HE1 MET 1 1HE MET 1 -0.441 2.281 -6.199 10 HE2 MET 1 2HE MET 1 -1.462 2.767 -4.823 11 HE3 MET 1 3HE MET 1 0.289 3.090 -4.791 12 H ALA 2 H ALA 2 3.853 1.102 -0.216 13 HA ALA 2 HA ALA 2 4.869 3.776 -0.276 14 HB1 ALA 2 1HB ALA 2 6.572 2.928 1.307 15 HB2 ALA 2 2HB ALA 2 4.933 2.391 1.749 16 HB3 ALA 2 3HB ALA 2 6.057 1.262 0.955 17 H GLU 3 H GLU 3 6.090 0.706 -1.590 18 HA GLU 3 HA GLU 3 8.553 1.846 -2.571 19 HB2 GLU 3 1HB GLU 3 7.042 -0.691 -3.305 20 HB3 GLU 3 2HB GLU 3 8.616 -0.272 -3.968 21 HG2 GLU 3 1HG GLU 3 8.004 -0.690 -1.033 22 HG3 GLU 3 2HG GLU 3 8.751 -1.870 -2.108 23 H TYR 4 H TYR 4 5.314 1.401 -3.912 24 HA TYR 4 HA TYR 4 5.981 2.214 -6.587 25 HB2 TYR 4 1HB TYR 4 3.877 1.020 -5.968 26 HB3 TYR 4 2HB TYR 4 3.331 2.450 -5.104 27 HD1 TYR 4 HD1 TYR 4 4.702 1.592 -8.494 28 HD2 TYR 4 HD2 TYR 4 1.837 3.806 -6.192 29 HE1 TYR 4 HE1 TYR 4 3.706 2.470 -10.579 30 HE2 TYR 4 HE2 TYR 4 0.840 4.683 -8.277 31 HH TYR 4 HH TYR 4 2.102 3.731 -11.463 32 H GLY 5 H GLY 5 4.785 3.999 -3.741 33 HA2 GLY 5 1HA GLY 5 4.665 6.582 -4.885 34 HA3 GLY 5 2HA GLY 5 4.994 6.243 -3.196 35 H THR 6 H THR 6 7.402 4.844 -3.370 36 HA THR 6 HA THR 6 9.305 6.952 -3.652 37 HB THR 6 HB THR 6 9.766 3.938 -3.577 38 HG1 THR 6 HG1 THR 6 8.794 4.558 -1.687 39 HG21 THR 6 1HG2 THR 6 12.029 4.543 -2.818 40 HG22 THR 6 2HG2 THR 6 11.713 5.184 -4.447 41 HG23 THR 6 3HG2 THR 6 11.648 6.266 -3.036 42 H LEU 7 H LEU 7 8.474 4.208 -5.777 43 HA LEU 7 HA LEU 7 10.263 4.750 -7.881 44 HB2 LEU 7 1HB LEU 7 8.902 2.763 -7.902 45 HB3 LEU 7 2HB LEU 7 7.411 3.711 -7.902 46 HG LEU 7 HG LEU 7 7.903 4.498 -10.186 47 HD11 LEU 7 1HD1 LEU 7 9.782 3.529 -11.433 48 HD12 LEU 7 2HD1 LEU 7 10.340 4.485 -10.040 49 HD13 LEU 7 3HD1 LEU 7 10.337 2.707 -9.955 50 HD21 LEU 7 1HD2 LEU 7 7.585 2.320 -11.311 51 HD22 LEU 7 2HD2 LEU 7 8.110 1.480 -9.832 52 HD23 LEU 7 3HD2 LEU 7 6.603 2.426 -9.831 53 H LEU 8 H LEU 8 7.067 6.167 -7.194 54 HA LEU 8 HA LEU 8 6.976 7.751 -9.588 55 HB2 LEU 8 1HB LEU 8 5.558 8.019 -6.916 56 HB3 LEU 8 2HB LEU 8 5.209 9.036 -8.317 57 HG LEU 8 HG LEU 8 4.834 6.023 -8.169 58 HD11 LEU 8 1HD1 LEU 8 2.446 6.586 -8.244 59 HD12 LEU 8 2HD1 LEU 8 3.238 7.271 -6.806 60 HD13 LEU 8 3HD1 LEU 8 2.852 8.318 -8.192 61 HD21 LEU 8 1HD2 LEU 8 3.751 6.316 -10.371 62 HD22 LEU 8 2HD2 LEU 8 4.175 8.046 -10.351 63 HD23 LEU 8 3HD2 LEU 8 5.459 6.815 -10.428 64 H GLN 9 H GLN 9 8.296 8.274 -6.361 65 HA GLN 9 HA GLN 9 8.844 11.062 -6.625 66 HB2 GLN 9 1HB GLN 9 10.205 8.860 -5.032 67 HB3 GLN 9 2HB GLN 9 10.687 10.547 -4.927 68 HG2 GLN 9 1HG GLN 9 8.491 11.174 -4.111 69 HG3 GLN 9 2HG GLN 9 7.919 9.494 -4.307 70 HE21 GLN 9 1HE2 GLN 9 8.876 10.182 -0.739 71 HE22 GLN 9 2HE2 GLN 9 7.830 10.968 -1.875 72 H ASP 10 H ASP 10 10.678 8.173 -7.578 73 HA ASP 10 HA ASP 10 12.884 9.725 -8.665 74 HB2 ASP 10 1HB ASP 10 12.046 6.821 -9.008 75 HB3 ASP 10 2HB ASP 10 13.485 7.506 -9.751 76 H LEU 11 H LEU 11 9.875 8.354 -9.895 77 HA LEU 11 HA LEU 11 10.542 8.651 -12.680 78 HB2 LEU 11 1HB LEU 11 8.812 7.101 -11.986 79 HB3 LEU 11 2HB LEU 11 7.882 8.401 -11.233 80 HG LEU 11 HG LEU 11 7.497 9.392 -13.487 81 HD11 LEU 11 1HD1 LEU 11 8.052 8.059 -15.472 82 HD12 LEU 11 2HD1 LEU 11 9.512 8.548 -14.578 83 HD13 LEU 11 3HD1 LEU 11 8.900 6.881 -14.444 84 HD21 LEU 11 1HD2 LEU 11 5.912 7.646 -14.227 85 HD22 LEU 11 2HD2 LEU 11 6.730 6.460 -13.180 86 HD23 LEU 11 3HD2 LEU 11 5.870 7.841 -12.458 87 H THR 12 H THR 12 8.482 10.607 -10.478 88 HA THR 12 HA THR 12 7.649 12.279 -12.689 89 HB THR 12 HB THR 12 6.445 13.588 -10.944 90 HG1 THR 12 HG1 THR 12 7.610 11.743 -9.102 91 HG21 THR 12 1HG2 THR 12 4.981 11.767 -10.163 92 HG22 THR 12 2HG2 THR 12 5.422 11.540 -11.872 93 HG23 THR 12 3HG2 THR 12 6.220 10.572 -10.610 94 H ASN 13 H ASN 13 10.332 12.303 -10.573 95 HA ASN 13 HA ASN 13 10.796 15.204 -11.024 96 HB2 ASN 13 1HB ASN 13 12.091 13.163 -9.199 97 HB3 ASN 13 2HB ASN 13 12.777 14.760 -9.467 98 HD21 ASN 13 1HD2 ASN 13 9.955 14.276 -6.738 99 HD22 ASN 13 2HD2 ASN 13 10.898 13.010 -7.449 100 H ASN 14 H ASN 14 11.208 12.571 -12.791 101 HA ASN 14 HA ASN 14 13.644 13.730 -14.048 102 HB2 ASN 14 1HB ASN 14 13.166 10.815 -13.380 103 HB3 ASN 14 2HB ASN 14 14.302 11.322 -14.622 104 HD21 ASN 14 1HD2 ASN 14 15.287 11.467 -10.725 105 HD22 ASN 14 2HD2 ASN 14 13.775 10.848 -11.299 106 H ILE 15 H ILE 15 10.668 13.780 -14.508 107 HA ILE 15 HA ILE 15 10.916 13.143 -17.402 108 HB ILE 15 HB ILE 15 8.573 12.326 -17.454 109 HG12 ILE 15 1HG1 ILE 15 8.682 12.456 -14.433 110 HG13 ILE 15 2HG1 ILE 15 7.817 13.596 -15.453 111 HG21 ILE 15 1HG2 ILE 15 8.962 10.154 -16.364 112 HG22 ILE 15 2HG2 ILE 15 10.414 10.702 -17.232 113 HG23 ILE 15 3HG2 ILE 15 10.330 10.847 -15.461 114 HD11 ILE 15 1HD1 ILE 15 6.313 11.915 -14.545 115 HD12 ILE 15 2HD1 ILE 15 6.411 11.775 -16.316 116 HD13 ILE 15 3HD1 ILE 15 7.285 10.620 -15.282 117 H THR 16 H THR 16 9.091 14.183 -18.666 118 HA THR 16 HA THR 16 8.981 17.000 -17.826 119 HB THR 16 HB THR 16 8.100 17.434 -20.072 120 HG1 THR 16 HG1 THR 16 8.239 14.644 -20.592 121 HG21 THR 16 1HG2 THR 16 9.980 16.573 -21.411 122 HG22 THR 16 2HG2 THR 16 10.542 17.151 -19.824 123 HG23 THR 16 3HG2 THR 16 10.367 15.406 -20.126 124 H LEU 17 H LEU 17 6.891 18.206 -18.326 125 HA LEU 17 HA LEU 17 4.887 17.240 -16.529 126 HB2 LEU 17 1HB LEU 17 4.852 19.450 -18.609 127 HB3 LEU 17 2HB LEU 17 3.525 19.150 -17.485 128 HG LEU 17 HG LEU 17 6.358 19.883 -16.665 129 HD11 LEU 17 1HD1 LEU 17 5.389 22.075 -16.135 130 HD12 LEU 17 2HD1 LEU 17 5.256 21.701 -17.869 131 HD13 LEU 17 3HD1 LEU 17 3.831 21.552 -16.814 132 HD21 LEU 17 1HD2 LEU 17 5.311 20.216 -14.451 133 HD22 LEU 17 2HD2 LEU 17 3.750 19.665 -15.106 134 HD23 LEU 17 3HD2 LEU 17 5.120 18.534 -15.004 135 H GLU 18 H GLU 18 5.211 17.153 -20.051 136 HA GLU 18 HA GLU 18 2.574 16.145 -20.577 137 HB2 GLU 18 1HB GLU 18 3.997 17.144 -22.333 138 HB3 GLU 18 2HB GLU 18 5.157 15.834 -22.161 139 HG2 GLU 18 1HG GLU 18 3.814 15.455 -24.108 140 HG3 GLU 18 2HG GLU 18 3.437 14.225 -22.902 141 H ASP 19 H ASP 19 5.706 14.570 -19.963 142 HA ASP 19 HA ASP 19 4.846 11.889 -20.310 143 HB2 ASP 19 1HB ASP 19 6.966 13.101 -18.499 144 HB3 ASP 19 2HB ASP 19 6.727 11.367 -18.666 145 H LEU 20 H LEU 20 4.687 14.051 -17.494 146 HA LEU 20 HA LEU 20 3.628 12.129 -15.667 147 HB2 LEU 20 1HB LEU 20 4.551 14.307 -14.975 148 HB3 LEU 20 2HB LEU 20 3.221 15.139 -15.786 149 HG LEU 20 HG LEU 20 1.620 14.122 -14.196 150 HD11 LEU 20 1HD1 LEU 20 2.471 12.902 -12.243 151 HD12 LEU 20 2HD1 LEU 20 2.838 12.051 -13.762 152 HD13 LEU 20 3HD1 LEU 20 4.114 12.962 -12.922 153 HD21 LEU 20 1HD2 LEU 20 2.359 15.410 -12.221 154 HD22 LEU 20 2HD2 LEU 20 4.003 15.506 -12.898 155 HD23 LEU 20 3HD2 LEU 20 2.652 16.319 -13.723 156 H GLU 21 H GLU 21 2.071 14.376 -17.947 157 HA GLU 21 HA GLU 21 -0.618 13.733 -17.202 158 HB2 GLU 21 1HB GLU 21 0.588 14.828 -19.769 159 HB3 GLU 21 2HB GLU 21 -1.143 14.620 -19.541 160 HG2 GLU 21 1HG GLU 21 0.656 16.359 -17.838 161 HG3 GLU 21 2HG GLU 21 -0.397 16.922 -19.135 162 H GLN 22 H GLN 22 1.665 12.298 -19.493 163 HA GLN 22 HA GLN 22 -0.235 10.437 -20.617 164 HB2 GLN 22 1HB GLN 22 2.804 10.420 -20.489 165 HB3 GLN 22 2HB GLN 22 1.864 9.213 -21.351 166 HG2 GLN 22 1HG GLN 22 1.844 12.185 -21.917 167 HG3 GLN 22 2HG GLN 22 2.724 10.937 -22.844 168 HE21 GLN 22 1HE2 GLN 22 -0.730 11.902 -24.247 169 HE22 GLN 22 2HE2 GLN 22 0.492 12.890 -23.520 170 H LEU 23 H LEU 23 2.065 10.306 -17.914 171 HA LEU 23 HA LEU 23 1.662 7.613 -17.160 172 HB2 LEU 23 1HB LEU 23 3.372 9.006 -16.132 173 HB3 LEU 23 2HB LEU 23 2.145 10.084 -15.460 174 HG LEU 23 HG LEU 23 1.322 8.155 -14.058 175 HD11 LEU 23 1HD1 LEU 23 2.814 6.222 -13.808 176 HD12 LEU 23 2HD1 LEU 23 2.170 6.346 -15.463 177 HD13 LEU 23 3HD1 LEU 23 3.842 6.846 -15.119 178 HD21 LEU 23 1HD2 LEU 23 3.209 8.308 -12.469 179 HD22 LEU 23 2HD2 LEU 23 4.246 8.961 -13.760 180 HD23 LEU 23 3HD2 LEU 23 2.845 9.896 -13.184 181 H LYS 24 H LYS 24 -0.096 10.541 -16.081 182 HA LYS 24 HA LYS 24 -1.968 9.131 -14.451 183 HB2 LYS 24 1HB LYS 24 -2.116 11.838 -15.827 184 HB3 LYS 24 2HB LYS 24 -3.363 11.245 -14.740 185 HG2 LYS 24 1HG LYS 24 -1.622 11.048 -12.942 186 HG3 LYS 24 2HG LYS 24 -0.470 11.814 -14.046 187 HD2 LYS 24 1HD LYS 24 -3.123 13.058 -13.239 188 HD3 LYS 24 2HD LYS 24 -1.587 13.394 -12.428 189 HE2 LYS 24 1HE LYS 24 -0.641 14.180 -14.593 190 HE3 LYS 24 2HE LYS 24 -2.204 13.896 -15.363 191 HZ1 LYS 24 1HZ LYS 24 -1.934 16.180 -14.730 192 HZ2 LYS 24 2HZ LYS 24 -3.168 15.505 -13.867 193 HZ3 LYS 24 3HZ LYS 24 -1.708 15.771 -13.148 194 H SER 25 H SER 25 -2.057 10.119 -17.863 195 HA SER 25 HA SER 25 -4.750 9.391 -18.380 196 HB2 SER 25 1HB SER 25 -2.316 9.372 -20.193 197 HB3 SER 25 2HB SER 25 -3.968 9.171 -20.757 198 HG SER 25 HG SER 25 -2.751 11.377 -19.547 199 H ALA 26 H ALA 26 -1.743 7.487 -18.549 200 HA ALA 26 HA ALA 26 -2.958 5.083 -19.484 201 HB1 ALA 26 1HB ALA 26 -0.923 3.972 -18.619 202 HB2 ALA 26 2HB ALA 26 -0.531 5.445 -19.538 203 HB3 ALA 26 3HB ALA 26 -0.483 5.466 -17.760 204 H CYS 27 H CYS 27 -2.503 6.420 -16.239 205 HA CYS 27 HA CYS 27 -3.435 4.076 -14.849 206 HB2 CYS 27 1HB CYS 27 -3.292 7.001 -14.034 207 HB3 CYS 27 2HB CYS 27 -3.792 5.716 -12.945 208 HG CYS 27 HG CYS 27 -1.591 4.320 -13.197 209 H LYS 28 H LYS 28 -5.004 6.950 -16.189 210 HA LYS 28 HA LYS 28 -7.528 6.604 -14.901 211 HB2 LYS 28 1HB LYS 28 -6.705 7.984 -17.476 212 HB3 LYS 28 2HB LYS 28 -8.368 7.979 -16.908 213 HG2 LYS 28 1HG LYS 28 -7.690 9.118 -14.841 214 HG3 LYS 28 2HG LYS 28 -6.001 9.084 -15.367 215 HD2 LYS 28 1HD LYS 28 -6.580 10.451 -17.342 216 HD3 LYS 28 2HD LYS 28 -8.276 10.473 -16.833 217 HE2 LYS 28 1HE LYS 28 -7.651 11.635 -14.752 218 HE3 LYS 28 2HE LYS 28 -5.949 11.587 -15.222 219 HZ1 LYS 28 1HZ LYS 28 -6.947 13.692 -15.734 220 HZ2 LYS 28 2HZ LYS 28 -6.499 12.935 -17.130 221 HZ3 LYS 28 3HZ LYS 28 -8.088 12.982 -16.690 222 H GLU 29 H GLU 29 -6.024 4.941 -17.532 223 HA GLU 29 HA GLU 29 -8.373 3.978 -18.846 224 HB2 GLU 29 1HB GLU 29 -5.569 2.823 -18.608 225 HB3 GLU 29 2HB GLU 29 -6.820 2.121 -19.624 226 HG2 GLU 29 1HG GLU 29 -6.958 4.213 -20.911 227 HG3 GLU 29 2HG GLU 29 -5.708 4.922 -19.890 228 H ASP 30 H ASP 30 -6.728 3.027 -15.911 229 HA ASP 30 HA ASP 30 -8.454 0.605 -15.727 230 HB2 ASP 30 1HB ASP 30 -5.976 1.410 -14.151 231 HB3 ASP 30 2HB ASP 30 -6.921 -0.042 -13.850 232 H ILE 31 H ILE 31 -7.627 3.644 -14.135 233 HA ILE 31 HA ILE 31 -9.170 3.206 -11.761 234 HB ILE 31 HB ILE 31 -8.284 5.762 -13.158 235 HG12 ILE 31 1HG1 ILE 31 -7.249 4.440 -10.640 236 HG13 ILE 31 2HG1 ILE 31 -6.537 4.220 -12.231 237 HG21 ILE 31 1HG2 ILE 31 -8.868 6.911 -11.059 238 HG22 ILE 31 2HG2 ILE 31 -10.308 6.191 -11.816 239 HG23 ILE 31 3HG2 ILE 31 -9.549 5.398 -10.416 240 HD11 ILE 31 1HD1 ILE 31 -5.324 5.894 -10.950 241 HD12 ILE 31 2HD1 ILE 31 -6.090 6.632 -12.379 242 HD13 ILE 31 3HD1 ILE 31 -6.810 6.855 -10.766 243 HA PRO 32 HA PRO 32 -13.268 3.267 -13.255 244 HB2 PRO 32 1HB PRO 32 -13.689 4.643 -10.563 245 HB3 PRO 32 2HB PRO 32 -14.641 3.351 -11.306 246 HG2 PRO 32 1HG PRO 32 -12.899 2.685 -9.416 247 HG3 PRO 32 2HG PRO 32 -12.987 1.689 -10.871 248 HD2 PRO 32 1HD PRO 32 -10.956 3.823 -10.126 249 HD3 PRO 32 2HD PRO 32 -10.693 2.229 -10.940 250 H SER 33 H SER 33 -14.526 4.740 -14.338 251 HA SER 33 HA SER 33 -13.301 7.209 -15.015 252 HB2 SER 33 1HB SER 33 -15.264 7.624 -16.356 253 HB3 SER 33 2HB SER 33 -14.847 5.922 -16.477 254 HG SER 33 HG SER 33 -17.010 7.156 -15.359 255 H GLU 34 H GLU 34 -15.749 6.394 -12.630 256 HA GLU 34 HA GLU 34 -16.638 9.051 -12.071 257 HB2 GLU 34 1HB GLU 34 -16.500 6.557 -10.335 258 HB3 GLU 34 2HB GLU 34 -17.252 8.058 -9.812 259 HG2 GLU 34 1HG GLU 34 -18.865 7.917 -11.645 260 HG3 GLU 34 2HG GLU 34 -18.088 6.449 -12.234 261 H LYS 35 H LYS 35 -13.803 7.227 -11.089 262 HA LYS 35 HA LYS 35 -13.051 9.313 -9.133 263 HB2 LYS 35 1HB LYS 35 -11.694 6.708 -9.933 264 HB3 LYS 35 2HB LYS 35 -11.091 7.810 -8.702 265 HG2 LYS 35 1HG LYS 35 -13.717 6.294 -8.623 266 HG3 LYS 35 2HG LYS 35 -12.261 5.947 -7.678 267 HD2 LYS 35 1HD LYS 35 -12.447 8.183 -6.603 268 HD3 LYS 35 2HD LYS 35 -13.932 8.484 -7.519 269 HE2 LYS 35 1HE LYS 35 -14.953 6.466 -6.456 270 HE3 LYS 35 2HE LYS 35 -13.489 6.262 -5.490 271 HZ1 LYS 35 1HZ LYS 35 -15.185 7.429 -4.285 272 HZ2 LYS 35 2HZ LYS 35 -13.891 8.423 -4.529 273 HZ3 LYS 35 3HZ LYS 35 -15.259 8.613 -5.430 274 H SER 36 H SER 36 -12.417 8.365 -12.403 275 HA SER 36 HA SER 36 -9.849 9.593 -12.711 276 HB2 SER 36 1HB SER 36 -10.198 9.353 -15.047 277 HB3 SER 36 2HB SER 36 -10.979 7.970 -14.297 278 HG SER 36 HG SER 36 -12.896 9.406 -14.308 279 H GLU 37 H GLU 37 -13.057 10.877 -12.454 280 HA GLU 37 HA GLU 37 -12.254 13.492 -13.558 281 HB2 GLU 37 1HB GLU 37 -14.852 12.533 -12.293 282 HB3 GLU 37 2HB GLU 37 -14.600 14.147 -12.943 283 HG2 GLU 37 1HG GLU 37 -14.193 13.186 -15.174 284 HG3 GLU 37 2HG GLU 37 -14.452 11.569 -14.522 285 H GLU 38 H GLU 38 -11.884 11.872 -10.669 286 HA GLU 38 HA GLU 38 -12.167 14.331 -9.022 287 HB2 GLU 38 1HB GLU 38 -11.727 11.421 -8.237 288 HB3 GLU 38 2HB GLU 38 -11.823 12.755 -7.096 289 HG2 GLU 38 1HG GLU 38 -14.126 13.226 -7.858 290 HG3 GLU 38 2HG GLU 38 -14.025 11.862 -8.968 291 H ILE 39 H ILE 39 -9.869 12.856 -10.872 292 HA ILE 39 HA ILE 39 -7.602 13.026 -9.063 293 HB ILE 39 HB ILE 39 -7.744 12.776 -12.098 294 HG12 ILE 39 1HG1 ILE 39 -7.113 10.670 -10.021 295 HG13 ILE 39 2HG1 ILE 39 -8.710 10.909 -10.716 296 HG21 ILE 39 1HG2 ILE 39 -5.377 12.114 -11.948 297 HG22 ILE 39 2HG2 ILE 39 -5.612 13.779 -11.372 298 HG23 ILE 39 3HG2 ILE 39 -5.387 12.458 -10.202 299 HD11 ILE 39 1HD1 ILE 39 -7.526 9.104 -11.836 300 HD12 ILE 39 2HD1 ILE 39 -7.815 10.455 -12.959 301 HD13 ILE 39 3HD1 ILE 39 -6.198 10.212 -12.255 302 H THR 40 H THR 40 -7.134 14.961 -8.236 303 HA THR 40 HA THR 40 -6.671 17.167 -10.200 304 HB THR 40 HB THR 40 -7.236 18.782 -8.415 305 HG1 THR 40 HG1 THR 40 -8.168 16.586 -6.870 306 HG21 THR 40 1HG2 THR 40 -9.659 18.351 -8.312 307 HG22 THR 40 2HG2 THR 40 -9.021 18.011 -9.938 308 HG23 THR 40 3HG2 THR 40 -9.387 16.671 -8.827 309 H THR 41 H THR 41 -5.422 15.163 -7.710 310 HA THR 41 HA THR 41 -2.909 16.781 -7.736 311 HB THR 41 HB THR 41 -2.464 16.141 -5.435 312 HG1 THR 41 HG1 THR 41 -3.525 14.556 -4.491 313 HG21 THR 41 1HG2 THR 41 -4.324 17.271 -4.279 314 HG22 THR 41 2HG2 THR 41 -3.889 18.130 -5.775 315 HG23 THR 41 3HG2 THR 41 -5.337 17.097 -5.731 316 H GLY 42 H GLY 42 -0.991 15.398 -6.981 317 HA2 GLY 42 1HA GLY 42 -0.749 13.039 -8.627 318 HA3 GLY 42 2HA GLY 42 0.411 13.598 -7.436 319 H SER 43 H SER 43 -1.445 13.647 -5.201 320 HA SER 43 HA SER 43 -1.196 10.883 -4.391 321 HB2 SER 43 1HB SER 43 -2.148 11.616 -2.296 322 HB3 SER 43 2HB SER 43 -0.985 12.816 -2.840 323 HG SER 43 HG SER 43 -3.557 13.085 -2.320 324 H ALA 44 H ALA 44 -3.653 12.730 -5.962 325 HA ALA 44 HA ALA 44 -5.957 11.310 -5.091 326 HB1 ALA 44 1HB ALA 44 -7.014 12.175 -7.153 327 HB2 ALA 44 2HB ALA 44 -6.089 13.438 -6.307 328 HB3 ALA 44 3HB ALA 44 -5.414 12.663 -7.759 329 H TRP 45 H TRP 45 -4.422 10.986 -8.310 330 HA TRP 45 HA TRP 45 -5.784 8.533 -8.861 331 HB2 TRP 45 1HB TRP 45 -4.347 8.392 -10.827 332 HB3 TRP 45 2HB TRP 45 -4.906 10.045 -10.621 333 HD1 TRP 45 HD1 TRP 45 -3.086 11.910 -10.001 334 HE1 TRP 45 HE1 TRP 45 -0.504 11.945 -10.137 335 HE3 TRP 45 HE3 TRP 45 -2.256 6.876 -10.517 336 HZ2 TRP 45 HZ2 TRP 45 1.586 10.069 -10.421 337 HZ3 TRP 45 HZ3 TRP 45 0.059 6.060 -10.719 338 HH2 TRP 45 HH2 TRP 45 1.954 7.627 -10.669 339 H PHE 46 H PHE 46 -2.724 9.272 -7.312 340 HA PHE 46 HA PHE 46 -1.593 6.676 -7.263 341 HB2 PHE 46 1HB PHE 46 -0.343 8.587 -6.447 342 HB3 PHE 46 2HB PHE 46 -1.543 8.918 -5.209 343 HD1 PHE 46 HD1 PHE 46 1.101 6.566 -6.271 344 HD2 PHE 46 HD2 PHE 46 -1.530 7.769 -3.128 345 HE1 PHE 46 HE1 PHE 46 2.355 5.149 -4.680 346 HE2 PHE 46 HE2 PHE 46 -0.277 6.355 -1.534 347 HZ PHE 46 HZ PHE 46 1.666 5.043 -2.312 348 H SER 47 H SER 47 -3.867 8.217 -4.966 349 HA SER 47 HA SER 47 -4.071 5.833 -3.339 350 HB2 SER 47 1HB SER 47 -5.746 7.043 -2.113 351 HB3 SER 47 2HB SER 47 -4.455 8.163 -2.513 352 HG SER 47 HG SER 47 -5.801 8.594 -4.441 353 H PHE 48 H PHE 48 -5.647 6.985 -6.206 354 HA PHE 48 HA PHE 48 -8.033 5.369 -5.946 355 HB2 PHE 48 1HB PHE 48 -6.696 6.709 -8.324 356 HB3 PHE 48 2HB PHE 48 -8.198 5.807 -8.456 357 HD1 PHE 48 HD1 PHE 48 -8.981 6.826 -5.497 358 HD2 PHE 48 HD2 PHE 48 -7.895 8.682 -9.189 359 HE1 PHE 48 HE1 PHE 48 -10.253 8.845 -4.854 360 HE2 PHE 48 HE2 PHE 48 -9.164 10.705 -8.548 361 HZ PHE 48 HZ PHE 48 -10.345 10.785 -6.380 362 H LEU 49 H LEU 49 -4.867 4.938 -7.507 363 HA LEU 49 HA LEU 49 -5.371 2.371 -8.629 364 HB2 LEU 49 1HB LEU 49 -2.832 3.643 -7.559 365 HB3 LEU 49 2HB LEU 49 -2.863 2.086 -8.393 366 HG LEU 49 HG LEU 49 -3.740 4.729 -9.612 367 HD11 LEU 49 1HD1 LEU 49 -1.649 4.562 -10.888 368 HD12 LEU 49 2HD1 LEU 49 -1.344 4.683 -9.139 369 HD13 LEU 49 3HD1 LEU 49 -1.199 3.112 -9.962 370 HD21 LEU 49 1HD2 LEU 49 -3.730 3.424 -11.711 371 HD22 LEU 49 2HD2 LEU 49 -3.308 1.956 -10.796 372 HD23 LEU 49 3HD2 LEU 49 -4.884 2.743 -10.540 373 H GLU 50 H GLU 50 -4.218 3.358 -5.405 374 HA GLU 50 HA GLU 50 -3.925 0.704 -4.373 375 HB2 GLU 50 1HB GLU 50 -2.944 2.692 -3.279 376 HB3 GLU 50 2HB GLU 50 -4.553 3.309 -2.927 377 HG2 GLU 50 1HG GLU 50 -4.989 1.364 -1.485 378 HG3 GLU 50 2HG GLU 50 -3.379 0.741 -1.841 379 H SER 51 H SER 51 -6.623 3.050 -4.130 380 HA SER 51 HA SER 51 -8.158 1.475 -2.341 381 HB2 SER 51 1HB SER 51 -9.031 3.567 -4.359 382 HB3 SER 51 2HB SER 51 -10.066 2.910 -3.102 383 HG SER 51 HG SER 51 -7.704 4.399 -2.845 384 H HIS 52 H HIS 52 -8.064 1.567 -5.884 385 HA HIS 52 HA HIS 52 -10.265 -0.458 -5.956 386 HB2 HIS 52 1HB HIS 52 -9.217 1.397 -8.127 387 HB3 HIS 52 2HB HIS 52 -10.483 0.197 -8.349 388 HD1 HIS 52 HD1 HIS 52 -12.659 0.567 -6.679 389 HD2 HIS 52 HD2 HIS 52 -10.201 3.936 -7.280 390 HE1 HIS 52 HE1 HIS 52 -14.030 2.510 -6.118 391 H ASN 53 H ASN 53 -7.087 -0.542 -5.702 392 HA ASN 53 HA ASN 53 -5.424 -1.984 -6.401 393 HB2 ASN 53 1HB ASN 53 -7.850 -3.773 -6.768 394 HB3 ASN 53 2HB ASN 53 -6.184 -4.337 -6.790 395 HD21 ASN 53 1HD2 ASN 53 -8.006 -4.333 -3.366 396 HD22 ASN 53 2HD2 ASN 53 -8.685 -4.537 -4.946 397 H LYS 54 H LYS 54 -5.785 -0.215 -8.318 398 HA LYS 54 HA LYS 54 -6.191 -1.743 -10.845 399 HB2 LYS 54 1HB LYS 54 -6.182 1.256 -10.319 400 HB3 LYS 54 2HB LYS 54 -6.381 0.517 -11.902 401 HG2 LYS 54 1HG LYS 54 -8.258 0.156 -9.547 402 HG3 LYS 54 2HG LYS 54 -8.521 1.221 -10.935 403 HD2 LYS 54 1HD LYS 54 -8.435 -0.764 -12.442 404 HD3 LYS 54 2HD LYS 54 -8.249 -1.807 -11.023 405 HE2 LYS 54 1HE LYS 54 -10.426 -0.992 -10.153 406 HE3 LYS 54 2HE LYS 54 -10.614 0.020 -11.588 407 HZ1 LYS 54 1HZ LYS 54 -11.794 -2.042 -11.801 408 HZ2 LYS 54 2HZ LYS 54 -10.589 -1.973 -12.925 409 HZ3 LYS 54 3HZ LYS 54 -10.414 -2.918 -11.584 410 H LEU 55 H LEU 55 -3.735 -1.229 -8.891 411 HA LEU 55 HA LEU 55 -1.806 -0.511 -11.034 412 HB2 LEU 55 1HB LEU 55 -1.478 0.618 -8.907 413 HB3 LEU 55 2HB LEU 55 -1.474 -0.923 -8.042 414 HG LEU 55 HG LEU 55 0.636 -1.532 -9.273 415 HD11 LEU 55 1HD1 LEU 55 1.862 0.274 -10.397 416 HD12 LEU 55 2HD1 LEU 55 0.320 -0.080 -11.210 417 HD13 LEU 55 3HD1 LEU 55 0.469 1.358 -10.172 418 HD21 LEU 55 1HD2 LEU 55 2.056 -0.034 -7.913 419 HD22 LEU 55 2HD2 LEU 55 0.666 1.048 -7.653 420 HD23 LEU 55 3HD2 LEU 55 0.649 -0.601 -6.982 421 H ASP 56 H ASP 56 -0.672 -1.973 -12.097 422 HA ASP 56 HA ASP 56 -0.169 -4.613 -10.862 423 HB2 ASP 56 1HB ASP 56 -0.993 -5.841 -12.817 424 HB3 ASP 56 2HB ASP 56 -2.294 -4.914 -12.085 425 H LYS 57 H LYS 57 0.872 -5.947 -12.997 426 HA LYS 57 HA LYS 57 3.495 -4.795 -13.058 427 HB2 LYS 57 1HB LYS 57 3.018 -7.247 -13.166 428 HB3 LYS 57 2HB LYS 57 2.351 -7.033 -14.777 429 HG2 LYS 57 1HG LYS 57 4.521 -6.323 -15.631 430 HG3 LYS 57 2HG LYS 57 5.214 -6.396 -14.004 431 HD2 LYS 57 1HD LYS 57 4.741 -8.822 -13.907 432 HD3 LYS 57 2HD LYS 57 4.039 -8.750 -15.530 433 HE2 LYS 57 1HE LYS 57 6.215 -7.983 -16.433 434 HE3 LYS 57 2HE LYS 57 6.916 -8.071 -14.814 435 HZ1 LYS 57 1HZ LYS 57 7.401 -10.024 -16.095 436 HZ2 LYS 57 2HZ LYS 57 6.452 -10.425 -14.807 437 HZ3 LYS 57 3HZ LYS 57 5.800 -10.343 -16.320 438 H ASP 58 H ASP 58 0.819 -4.828 -15.363 439 HA ASP 58 HA ASP 58 2.290 -3.889 -17.620 440 HB2 ASP 58 1HB ASP 58 -0.643 -3.671 -16.859 441 HB3 ASP 58 2HB ASP 58 -0.014 -3.066 -18.385 442 H ASN 59 H ASN 59 0.485 -2.165 -15.075 443 HA ASN 59 HA ASN 59 1.002 0.452 -16.176 444 HB2 ASN 59 1HB ASN 59 0.111 -0.538 -13.461 445 HB3 ASN 59 2HB ASN 59 0.411 1.166 -13.770 446 HD21 ASN 59 1HD2 ASN 59 -3.188 0.237 -14.342 447 HD22 ASN 59 2HD2 ASN 59 -2.075 -0.069 -13.052 448 H LEU 60 H LEU 60 2.679 -1.609 -13.843 449 HA LEU 60 HA LEU 60 4.706 0.320 -13.181 450 HB2 LEU 60 1HB LEU 60 4.690 -2.716 -13.128 451 HB3 LEU 60 2HB LEU 60 6.021 -1.732 -12.513 452 HG LEU 60 HG LEU 60 3.181 -1.558 -11.454 453 HD11 LEU 60 1HD1 LEU 60 3.993 -2.926 -9.584 454 HD12 LEU 60 2HD1 LEU 60 4.066 -3.811 -11.126 455 HD13 LEU 60 3HD1 LEU 60 5.552 -3.137 -10.415 456 HD21 LEU 60 1HD2 LEU 60 4.312 -0.436 -9.563 457 HD22 LEU 60 2HD2 LEU 60 5.876 -0.612 -10.394 458 HD23 LEU 60 3HD2 LEU 60 4.610 0.427 -11.091 459 H SER 61 H SER 61 4.298 -2.023 -15.788 460 HA SER 61 HA SER 61 6.965 -1.723 -16.851 461 HB2 SER 61 1HB SER 61 4.374 -2.634 -18.144 462 HB3 SER 61 2HB SER 61 5.954 -2.737 -18.904 463 HG SER 61 HG SER 61 4.970 -4.048 -16.642 464 H TYR 62 H TYR 62 3.886 -0.057 -17.343 465 HA TYR 62 HA TYR 62 4.627 1.503 -19.597 466 HB2 TYR 62 1HB TYR 62 2.747 2.106 -17.283 467 HB3 TYR 62 2HB TYR 62 2.900 3.133 -18.701 468 HD1 TYR 62 HD1 TYR 62 3.421 0.416 -20.422 469 HD2 TYR 62 HD2 TYR 62 0.332 1.934 -17.860 470 HE1 TYR 62 HE1 TYR 62 1.754 -0.972 -21.607 471 HE2 TYR 62 HE2 TYR 62 -1.334 0.546 -19.046 472 HH TYR 62 HH TYR 62 -1.688 -0.915 -20.673 473 H ILE 63 H ILE 63 5.167 2.017 -16.125 474 HA ILE 63 HA ILE 63 6.415 4.568 -16.351 475 HB ILE 63 HB ILE 63 6.731 2.320 -14.329 476 HG12 ILE 63 1HG1 ILE 63 5.394 5.020 -14.081 477 HG13 ILE 63 2HG1 ILE 63 4.547 3.543 -14.512 478 HG21 ILE 63 1HG2 ILE 63 7.912 3.950 -12.912 479 HG22 ILE 63 2HG2 ILE 63 8.818 3.629 -14.409 480 HG23 ILE 63 3HG2 ILE 63 7.882 5.133 -14.241 481 HD11 ILE 63 1HD1 ILE 63 4.300 4.035 -12.144 482 HD12 ILE 63 2HD1 ILE 63 5.210 2.522 -12.378 483 HD13 ILE 63 3HD1 ILE 63 6.067 4.020 -11.940 484 H GLU 64 H GLU 64 7.772 1.266 -16.427 485 HA GLU 64 HA GLU 64 10.475 1.942 -16.837 486 HB2 GLU 64 1HB GLU 64 9.629 -0.371 -16.472 487 HB3 GLU 64 2HB GLU 64 8.916 -0.362 -18.078 488 HG2 GLU 64 1HG GLU 64 11.149 -0.122 -19.077 489 HG3 GLU 64 2HG GLU 64 11.870 -0.116 -17.469 490 H HIS 65 H HIS 65 7.799 1.738 -19.168 491 HA HIS 65 HA HIS 65 9.450 2.138 -21.502 492 HB2 HIS 65 1HB HIS 65 6.477 2.495 -21.002 493 HB3 HIS 65 2HB HIS 65 7.224 2.768 -22.570 494 HD1 HIS 65 HD1 HIS 65 8.993 0.450 -23.058 495 HD2 HIS 65 HD2 HIS 65 5.350 -0.097 -21.011 496 HE1 HIS 65 HE1 HIS 65 8.384 -1.895 -23.380 497 H ILE 66 H ILE 66 7.722 4.317 -19.311 498 HA ILE 66 HA ILE 66 8.227 6.731 -20.736 499 HB ILE 66 HB ILE 66 7.899 6.155 -17.767 500 HG12 ILE 66 1HG1 ILE 66 6.032 7.516 -19.719 501 HG13 ILE 66 2HG1 ILE 66 5.971 5.800 -19.347 502 HG21 ILE 66 1HG2 ILE 66 7.642 8.585 -17.471 503 HG22 ILE 66 2HG2 ILE 66 9.274 8.182 -18.051 504 HG23 ILE 66 3HG2 ILE 66 8.069 8.843 -19.179 505 HD11 ILE 66 1HD1 ILE 66 4.330 7.037 -18.049 506 HD12 ILE 66 2HD1 ILE 66 5.556 6.314 -16.981 507 HD13 ILE 66 3HD1 ILE 66 5.616 8.052 -17.357 508 H PHE 67 H PHE 67 10.180 4.913 -18.386 509 HA PHE 67 HA PHE 67 12.339 6.802 -18.293 510 HB2 PHE 67 1HB PHE 67 12.133 3.840 -17.677 511 HB3 PHE 67 2HB PHE 67 13.655 4.705 -17.545 512 HD1 PHE 67 HD1 PHE 67 11.787 3.290 -15.418 513 HD2 PHE 67 HD2 PHE 67 12.527 7.347 -16.532 514 HE1 PHE 67 HE1 PHE 67 11.168 4.027 -13.140 515 HE2 PHE 67 HE2 PHE 67 11.912 8.088 -14.255 516 HZ PHE 67 HZ PHE 67 11.230 6.426 -12.559 517 H GLU 68 H GLU 68 11.574 4.076 -20.416 518 HA GLU 68 HA GLU 68 14.014 4.072 -21.896 519 HB2 GLU 68 1HB GLU 68 11.165 3.338 -22.665 520 HB3 GLU 68 2HB GLU 68 12.533 3.120 -23.749 521 HG2 GLU 68 1HG GLU 68 13.582 1.584 -22.179 522 HG3 GLU 68 2HG GLU 68 12.294 1.859 -21.009 523 H ILE 69 H ILE 69 11.009 5.943 -22.266 524 HA ILE 69 HA ILE 69 11.812 7.355 -24.618 525 HB ILE 69 HB ILE 69 9.877 8.067 -22.381 526 HG12 ILE 69 1HG1 ILE 69 9.327 7.245 -25.236 527 HG13 ILE 69 2HG1 ILE 69 9.406 6.106 -23.902 528 HG21 ILE 69 1HG2 ILE 69 9.048 9.844 -23.870 529 HG22 ILE 69 2HG2 ILE 69 10.741 10.134 -23.409 530 HG23 ILE 69 3HG2 ILE 69 10.357 9.493 -25.024 531 HD11 ILE 69 1HD1 ILE 69 7.107 6.722 -24.395 532 HD12 ILE 69 2HD1 ILE 69 7.570 7.284 -22.771 533 HD13 ILE 69 3HD1 ILE 69 7.489 8.437 -24.124 534 H SER 70 H SER 70 12.176 8.085 -21.149 535 HA SER 70 HA SER 70 13.525 10.603 -21.636 536 HB2 SER 70 1HB SER 70 13.880 10.658 -19.268 537 HB3 SER 70 2HB SER 70 12.265 10.025 -19.546 538 HG SER 70 HG SER 70 13.973 8.018 -19.593 539 H ARG 71 H ARG 71 14.471 7.326 -21.787 540 HA ARG 71 HA ARG 71 16.505 6.350 -22.240 541 HB2 ARG 71 1HB ARG 71 17.387 9.211 -22.753 542 HB3 ARG 71 2HB ARG 71 18.303 7.775 -23.185 543 HG2 ARG 71 1HG ARG 71 16.465 7.081 -24.697 544 HG3 ARG 71 2HG ARG 71 15.608 8.589 -24.299 545 HD2 ARG 71 1HD ARG 71 17.479 9.876 -25.152 546 HD3 ARG 71 2HD ARG 71 18.338 8.370 -25.546 547 HE ARG 71 HE ARG 71 15.831 8.255 -26.791 548 HH11 ARG 71 1HH1 ARG 71 18.761 10.186 -26.945 549 HH12 ARG 71 2HH1 ARG 71 18.569 10.570 -28.640 550 HH21 ARG 71 1HH2 ARG 71 15.592 8.760 -28.993 551 HH22 ARG 71 2HH2 ARG 71 16.775 9.763 -29.801 552 H ARG 72 H ARG 72 16.114 6.297 -19.688 553 HA ARG 72 HA ARG 72 18.670 7.271 -18.481 554 HB2 ARG 72 1HB ARG 72 15.947 7.026 -17.157 555 HB3 ARG 72 2HB ARG 72 17.442 7.395 -16.312 556 HG2 ARG 72 1HG ARG 72 16.308 9.112 -18.531 557 HG3 ARG 72 2HG ARG 72 15.998 9.368 -16.797 558 HD2 ARG 72 1HD ARG 72 18.714 9.323 -18.092 559 HD3 ARG 72 2HD ARG 72 17.787 10.784 -17.675 560 HE ARG 72 HE ARG 72 19.238 9.024 -15.870 561 HH11 ARG 72 1HH1 ARG 72 16.754 11.489 -16.172 562 HH12 ARG 72 2HH1 ARG 72 16.884 12.002 -14.505 563 HH21 ARG 72 1HH2 ARG 72 19.397 9.696 -13.707 564 HH22 ARG 72 2HH2 ARG 72 18.379 10.987 -13.108 565 HA PRO 73 HA PRO 73 18.755 2.714 -18.504 566 HB2 PRO 73 1HB PRO 73 21.627 3.518 -17.877 567 HB3 PRO 73 2HB PRO 73 21.042 2.215 -18.921 568 HG2 PRO 73 1HG PRO 73 21.888 4.458 -20.070 569 HG3 PRO 73 2HG PRO 73 20.403 3.708 -20.664 570 HD2 PRO 73 1HD PRO 73 20.739 6.094 -18.809 571 HD3 PRO 73 2HD PRO 73 19.564 5.858 -20.163 572 H ASP 74 H ASP 74 20.207 5.054 -16.241 573 HA ASP 74 HA ASP 74 20.612 3.288 -14.049 574 HB2 ASP 74 1HB ASP 74 20.072 6.277 -14.172 575 HB3 ASP 74 2HB ASP 74 20.416 5.435 -12.667 576 H LEU 75 H LEU 75 17.792 5.219 -15.032 577 HA LEU 75 HA LEU 75 16.263 4.356 -12.686 578 HB2 LEU 75 1HB LEU 75 15.463 5.909 -15.173 579 HB3 LEU 75 2HB LEU 75 14.404 5.608 -13.792 580 HG LEU 75 HG LEU 75 16.993 7.199 -13.692 581 HD11 LEU 75 1HD1 LEU 75 15.509 9.142 -13.477 582 HD12 LEU 75 2HD1 LEU 75 15.276 8.306 -15.030 583 HD13 LEU 75 3HD1 LEU 75 14.095 8.090 -13.716 584 HD21 LEU 75 1HD2 LEU 75 16.176 7.827 -11.445 585 HD22 LEU 75 2HD2 LEU 75 14.770 6.756 -11.655 586 HD23 LEU 75 3HD2 LEU 75 16.409 6.067 -11.572 587 H LEU 76 H LEU 76 16.728 3.350 -15.993 588 HA LEU 76 HA LEU 76 14.475 1.561 -16.121 589 HB2 LEU 76 1HB LEU 76 17.156 1.628 -17.534 590 HB3 LEU 76 2HB LEU 76 15.941 0.389 -17.859 591 HG LEU 76 HG LEU 76 15.504 3.372 -18.241 592 HD11 LEU 76 1HD1 LEU 76 15.707 2.868 -20.635 593 HD12 LEU 76 2HD1 LEU 76 17.214 2.512 -19.758 594 HD13 LEU 76 3HD1 LEU 76 16.132 1.186 -20.245 595 HD21 LEU 76 1HD2 LEU 76 13.499 2.609 -19.469 596 HD22 LEU 76 2HD2 LEU 76 13.892 0.921 -19.063 597 HD23 LEU 76 3HD2 LEU 76 13.456 2.068 -17.773 598 H THR 77 H THR 77 17.688 1.368 -14.705 599 HA THR 77 HA THR 77 17.469 -1.441 -14.011 600 HB THR 77 HB THR 77 19.192 0.768 -12.808 601 HG1 THR 77 HG1 THR 77 19.793 0.415 -14.919 602 HG21 THR 77 1HG2 THR 77 20.545 -1.087 -11.918 603 HG22 THR 77 2HG2 THR 77 18.889 -1.139 -11.269 604 HG23 THR 77 3HG2 THR 77 19.372 -2.258 -12.565 605 H MET 78 H MET 78 16.765 1.632 -12.362 606 HA MET 78 HA MET 78 16.232 0.391 -9.818 607 HB2 MET 78 1HB MET 78 15.543 3.120 -10.962 608 HB3 MET 78 2HB MET 78 15.155 2.649 -9.313 609 HG2 MET 78 1HG MET 78 17.927 2.838 -10.523 610 HG3 MET 78 2HG MET 78 17.197 3.956 -9.368 611 HE1 MET 78 1HE MET 78 16.965 1.805 -6.116 612 HE2 MET 78 2HE MET 78 16.742 3.417 -6.840 613 HE3 MET 78 3HE MET 78 15.697 2.063 -7.339 614 H VAL 79 H VAL 79 14.211 1.318 -12.569 615 HA VAL 79 HA VAL 79 11.701 1.063 -11.238 616 HB VAL 79 HB VAL 79 12.188 2.158 -13.505 617 HG11 VAL 79 1HG1 VAL 79 12.028 0.728 -15.483 618 HG12 VAL 79 2HG1 VAL 79 13.459 0.344 -14.498 619 HG13 VAL 79 3HG1 VAL 79 12.028 -0.713 -14.440 620 HG21 VAL 79 1HG2 VAL 79 9.959 1.568 -14.401 621 HG22 VAL 79 2HG2 VAL 79 9.899 0.155 -13.318 622 HG23 VAL 79 3HG2 VAL 79 9.902 1.800 -12.638 623 H VAL 80 H VAL 80 13.882 -1.281 -12.666 624 HA VAL 80 HA VAL 80 12.034 -3.488 -12.692 625 HB VAL 80 HB VAL 80 15.073 -3.388 -12.502 626 HG11 VAL 80 1HG1 VAL 80 15.040 -5.755 -13.119 627 HG12 VAL 80 2HG1 VAL 80 14.267 -5.467 -11.543 628 HG13 VAL 80 3HG1 VAL 80 13.266 -5.765 -12.984 629 HG21 VAL 80 1HG2 VAL 80 14.941 -4.020 -14.891 630 HG22 VAL 80 2HG2 VAL 80 13.164 -3.970 -14.803 631 HG23 VAL 80 3HG2 VAL 80 14.109 -2.478 -14.587 632 H ASP 81 H ASP 81 14.445 -2.332 -10.321 633 HA ASP 81 HA ASP 81 13.891 -4.307 -8.335 634 HB2 ASP 81 1HB ASP 81 14.986 -1.478 -8.162 635 HB3 ASP 81 2HB ASP 81 14.815 -2.511 -6.749 636 H TYR 82 H TYR 82 12.478 -1.111 -8.989 637 HA TYR 82 HA TYR 82 10.770 -1.105 -6.674 638 HB2 TYR 82 1HB TYR 82 10.736 0.412 -9.303 639 HB3 TYR 82 2HB TYR 82 9.475 0.627 -8.095 640 HD1 TYR 82 HD1 TYR 82 12.274 2.106 -9.318 641 HD2 TYR 82 HD2 TYR 82 10.663 0.794 -5.565 642 HE1 TYR 82 HE1 TYR 82 13.687 3.754 -8.136 643 HE2 TYR 82 HE2 TYR 82 12.076 2.441 -4.381 644 HH TYR 82 HH TYR 82 13.905 4.864 -6.098 645 H ARG 83 H ARG 83 10.227 -2.008 -10.083 646 HA ARG 83 HA ARG 83 7.489 -2.686 -9.832 647 HB2 ARG 83 1HB ARG 83 8.571 -2.497 -12.004 648 HB3 ARG 83 2HB ARG 83 9.641 -3.841 -11.637 649 HG2 ARG 83 1HG ARG 83 7.852 -5.416 -11.742 650 HG3 ARG 83 2HG ARG 83 6.633 -4.120 -11.795 651 HD2 ARG 83 1HD ARG 83 6.970 -5.064 -13.981 652 HD3 ARG 83 2HD ARG 83 7.541 -3.380 -13.937 653 HE ARG 83 HE ARG 83 9.594 -5.380 -13.428 654 HH11 ARG 83 1HH1 ARG 83 7.916 -3.463 -15.846 655 HH12 ARG 83 2HH1 ARG 83 9.211 -3.577 -17.016 656 HH21 ARG 83 1HH2 ARG 83 11.269 -5.521 -14.955 657 HH22 ARG 83 2HH2 ARG 83 11.109 -4.742 -16.513 658 H THR 84 H THR 84 10.419 -4.676 -9.386 659 HA THR 84 HA THR 84 9.134 -7.136 -8.860 660 HB THR 84 HB THR 84 11.733 -6.052 -7.691 661 HG1 THR 84 HG1 THR 84 11.945 -6.182 -9.883 662 HG21 THR 84 1HG2 THR 84 12.296 -8.423 -7.331 663 HG22 THR 84 2HG2 THR 84 10.850 -7.964 -6.401 664 HG23 THR 84 3HG2 THR 84 10.681 -8.899 -7.905 665 H ARG 85 H ARG 85 10.075 -4.534 -6.600 666 HA ARG 85 HA ARG 85 9.255 -5.934 -4.249 667 HB2 ARG 85 1HB ARG 85 9.622 -2.981 -4.830 668 HB3 ARG 85 2HB ARG 85 9.213 -3.598 -3.236 669 HG2 ARG 85 1HG ARG 85 11.296 -4.862 -3.150 670 HG3 ARG 85 2HG ARG 85 11.704 -4.327 -4.799 671 HD2 ARG 85 1HD ARG 85 11.687 -2.010 -4.030 672 HD3 ARG 85 2HD ARG 85 11.338 -2.576 -2.380 673 HE ARG 85 HE ARG 85 13.635 -3.920 -3.295 674 HH11 ARG 85 1HH1 ARG 85 12.607 -0.665 -2.465 675 HH12 ARG 85 2HH1 ARG 85 14.204 -0.153 -1.967 676 HH21 ARG 85 1HH2 ARG 85 15.704 -3.243 -2.646 677 HH22 ARG 85 2HH2 ARG 85 15.957 -1.611 -2.069 678 H VAL 86 H VAL 86 7.597 -3.549 -6.317 679 HA VAL 86 HA VAL 86 5.280 -3.283 -4.677 680 HB VAL 86 HB VAL 86 5.697 -2.881 -7.666 681 HG11 VAL 86 1HG1 VAL 86 3.593 -1.634 -7.658 682 HG12 VAL 86 2HG1 VAL 86 3.352 -3.351 -7.255 683 HG13 VAL 86 3HG1 VAL 86 3.312 -2.120 -5.969 684 HG21 VAL 86 1HG2 VAL 86 5.702 -0.491 -7.026 685 HG22 VAL 86 2HG2 VAL 86 5.491 -0.950 -5.320 686 HG23 VAL 86 3HG2 VAL 86 6.986 -1.386 -6.180 687 H LEU 87 H LEU 87 6.059 -5.464 -7.378 688 HA LEU 87 HA LEU 87 3.467 -6.674 -7.534 689 HB2 LEU 87 1HB LEU 87 6.228 -7.637 -8.343 690 HB3 LEU 87 2HB LEU 87 4.753 -8.552 -8.669 691 HG LEU 87 HG LEU 87 5.322 -5.757 -9.716 692 HD11 LEU 87 1HD1 LEU 87 5.679 -6.885 -11.867 693 HD12 LEU 87 2HD1 LEU 87 6.862 -7.407 -10.646 694 HD13 LEU 87 3HD1 LEU 87 5.494 -8.464 -11.069 695 HD21 LEU 87 1HD2 LEU 87 3.365 -6.223 -11.151 696 HD22 LEU 87 2HD2 LEU 87 3.146 -7.795 -10.344 697 HD23 LEU 87 3HD2 LEU 87 2.925 -6.285 -9.428 698 H LYS 88 H LYS 88 6.357 -7.360 -5.612 699 HA LYS 88 HA LYS 88 5.341 -9.800 -4.457 700 HB2 LYS 88 1HB LYS 88 7.487 -7.832 -3.599 701 HB3 LYS 88 2HB LYS 88 7.088 -9.259 -2.652 702 HG2 LYS 88 1HG LYS 88 7.670 -10.700 -4.573 703 HG3 LYS 88 2HG LYS 88 8.077 -9.262 -5.519 704 HD2 LYS 88 1HD LYS 88 9.847 -8.672 -3.938 705 HD3 LYS 88 2HD LYS 88 9.397 -10.025 -2.889 706 HE2 LYS 88 1HE LYS 88 9.969 -11.618 -4.690 707 HE3 LYS 88 2HE LYS 88 10.407 -10.273 -5.747 708 HZ1 LYS 88 1HZ LYS 88 12.324 -11.231 -4.700 709 HZ2 LYS 88 2HZ LYS 88 12.126 -9.678 -4.182 710 HZ3 LYS 88 3HZ LYS 88 11.718 -10.935 -3.194 711 H ILE 89 H ILE 89 5.123 -6.377 -3.592 712 HA ILE 89 HA ILE 89 3.857 -6.785 -1.050 713 HB ILE 89 HB ILE 89 3.854 -4.440 -2.987 714 HG12 ILE 89 1HG1 ILE 89 5.175 -4.724 -0.285 715 HG13 ILE 89 2HG1 ILE 89 5.974 -5.132 -1.795 716 HG21 ILE 89 1HG2 ILE 89 2.868 -3.119 -1.159 717 HG22 ILE 89 2HG2 ILE 89 1.765 -4.414 -1.678 718 HG23 ILE 89 3HG2 ILE 89 2.702 -4.595 -0.177 719 HD11 ILE 89 1HD1 ILE 89 6.578 -2.895 -1.059 720 HD12 ILE 89 2HD1 ILE 89 5.675 -2.828 -2.591 721 HD13 ILE 89 3HD1 ILE 89 4.865 -2.414 -1.062 722 H SER 90 H SER 90 2.572 -6.240 -4.332 723 HA SER 90 HA SER 90 -0.175 -6.174 -3.562 724 HB2 SER 90 1HB SER 90 0.577 -5.353 -5.727 725 HB3 SER 90 2HB SER 90 1.147 -6.951 -6.181 726 HG SER 90 HG SER 90 -1.257 -5.907 -6.411 Start of MODEL 4 1 H1 MET 1 1H MET 1 3.785 -2.701 -1.659 2 H2 MET 1 2H MET 1 5.139 -1.837 -1.367 3 H3 MET 1 3H MET 1 3.707 -1.337 -0.763 4 HA MET 1 HA MET 1 4.441 -1.478 -3.577 5 HB2 MET 1 1HB MET 1 1.876 -0.617 -2.190 6 HB3 MET 1 2HB MET 1 2.241 -0.244 -3.868 7 HG2 MET 1 1HG MET 1 1.959 -3.022 -2.686 8 HG3 MET 1 2HG MET 1 0.770 -2.182 -3.684 9 HE1 MET 1 1HE MET 1 2.489 -2.034 -7.174 10 HE2 MET 1 2HE MET 1 0.995 -1.746 -6.246 11 HE3 MET 1 3HE MET 1 2.450 -0.772 -5.920 12 H ALA 2 H ALA 2 4.651 0.160 -0.611 13 HA ALA 2 HA ALA 2 4.703 2.861 -1.547 14 HB1 ALA 2 1HB ALA 2 5.897 3.339 0.566 15 HB2 ALA 2 2HB ALA 2 4.478 2.297 0.831 16 HB3 ALA 2 3HB ALA 2 6.112 1.593 0.830 17 H GLU 3 H GLU 3 6.987 0.259 -1.743 18 HA GLU 3 HA GLU 3 9.332 1.864 -2.207 19 HB2 GLU 3 1HB GLU 3 10.353 -0.185 -2.996 20 HB3 GLU 3 2HB GLU 3 9.381 -0.557 -1.580 21 HG2 GLU 3 1HG GLU 3 8.189 -0.885 -4.311 22 HG3 GLU 3 2HG GLU 3 9.323 -2.088 -3.699 23 H TYR 4 H TYR 4 6.544 1.227 -4.076 24 HA TYR 4 HA TYR 4 7.946 2.113 -6.551 25 HB2 TYR 4 1HB TYR 4 5.098 1.088 -6.200 26 HB3 TYR 4 2HB TYR 4 5.881 1.471 -7.728 27 HD1 TYR 4 HD1 TYR 4 5.004 -1.119 -5.578 28 HD2 TYR 4 HD2 TYR 4 8.241 0.214 -8.059 29 HE1 TYR 4 HE1 TYR 4 5.843 -3.438 -5.731 30 HE2 TYR 4 HE2 TYR 4 9.079 -2.106 -8.211 31 HH TYR 4 HH TYR 4 7.415 -4.777 -6.553 32 H GLY 5 H GLY 5 5.310 2.960 -4.333 33 HA2 GLY 5 1HA GLY 5 4.302 5.188 -5.802 34 HA3 GLY 5 2HA GLY 5 4.102 4.924 -4.079 35 H THR 6 H THR 6 6.838 4.906 -3.309 36 HA THR 6 HA THR 6 7.354 7.671 -2.964 37 HB THR 6 HB THR 6 9.286 5.319 -2.776 38 HG1 THR 6 HG1 THR 6 7.739 5.023 -1.254 39 HG21 THR 6 1HG2 THR 6 10.614 6.817 -1.340 40 HG22 THR 6 2HG2 THR 6 10.459 7.484 -2.983 41 HG23 THR 6 3HG2 THR 6 9.471 8.142 -1.658 42 H LEU 7 H LEU 7 8.737 5.332 -5.271 43 HA LEU 7 HA LEU 7 10.589 7.204 -6.420 44 HB2 LEU 7 1HB LEU 7 9.392 4.625 -7.489 45 HB3 LEU 7 2HB LEU 7 10.677 5.526 -8.300 46 HG LEU 7 HG LEU 7 10.906 4.315 -5.521 47 HD11 LEU 7 1HD1 LEU 7 12.312 2.630 -6.618 48 HD12 LEU 7 2HD1 LEU 7 10.644 2.597 -7.236 49 HD13 LEU 7 3HD1 LEU 7 11.938 3.347 -8.202 50 HD21 LEU 7 1HD2 LEU 7 13.309 4.799 -5.842 51 HD22 LEU 7 2HD2 LEU 7 12.949 5.547 -7.416 52 HD23 LEU 7 3HD2 LEU 7 12.341 6.290 -5.917 53 H LEU 8 H LEU 8 7.258 6.273 -7.179 54 HA LEU 8 HA LEU 8 7.084 7.805 -9.609 55 HB2 LEU 8 1HB LEU 8 4.995 6.790 -7.657 56 HB3 LEU 8 2HB LEU 8 4.586 7.652 -9.144 57 HG LEU 8 HG LEU 8 6.115 5.028 -9.036 58 HD11 LEU 8 1HD1 LEU 8 4.014 4.031 -9.824 59 HD12 LEU 8 2HD1 LEU 8 3.828 4.774 -8.218 60 HD13 LEU 8 3HD1 LEU 8 3.206 5.608 -9.661 61 HD21 LEU 8 1HD2 LEU 8 5.646 5.008 -11.463 62 HD22 LEU 8 2HD2 LEU 8 4.860 6.599 -11.325 63 HD23 LEU 8 3HD2 LEU 8 6.603 6.438 -11.008 64 H GLN 9 H GLN 9 6.471 8.515 -6.191 65 HA GLN 9 HA GLN 9 5.199 11.023 -6.525 66 HB2 GLN 9 1HB GLN 9 5.336 9.796 -4.366 67 HB3 GLN 9 2HB GLN 9 7.060 10.126 -4.287 68 HG2 GLN 9 1HG GLN 9 6.650 12.507 -4.111 69 HG3 GLN 9 2HG GLN 9 4.895 12.239 -4.317 70 HE21 GLN 9 1HE2 GLN 9 5.765 12.656 -0.689 71 HE22 GLN 9 2HE2 GLN 9 6.064 13.594 -2.115 72 H ASP 10 H ASP 10 8.605 10.119 -6.610 73 HA ASP 10 HA ASP 10 9.608 12.817 -6.411 74 HB2 ASP 10 1HB ASP 10 10.841 10.215 -7.380 75 HB3 ASP 10 2HB ASP 10 11.729 11.732 -7.362 76 H LEU 11 H LEU 11 7.967 11.194 -8.865 77 HA LEU 11 HA LEU 11 9.371 12.497 -11.091 78 HB2 LEU 11 1HB LEU 11 6.818 10.851 -11.010 79 HB3 LEU 11 2HB LEU 11 7.615 11.418 -12.479 80 HG LEU 11 HG LEU 11 8.792 9.459 -10.476 81 HD11 LEU 11 1HD1 LEU 11 8.444 7.817 -12.267 82 HD12 LEU 11 2HD1 LEU 11 6.908 8.533 -11.724 83 HD13 LEU 11 3HD1 LEU 11 7.646 9.062 -13.255 84 HD21 LEU 11 1HD2 LEU 11 10.547 9.184 -12.194 85 HD22 LEU 11 2HD2 LEU 11 9.780 10.450 -13.183 86 HD23 LEU 11 3HD2 LEU 11 10.488 10.862 -11.603 87 H THR 12 H THR 12 7.153 13.479 -8.812 88 HA THR 12 HA THR 12 5.128 14.799 -10.223 89 HB THR 12 HB THR 12 6.541 15.707 -7.679 90 HG1 THR 12 HG1 THR 12 5.605 13.799 -7.215 91 HG21 THR 12 1HG2 THR 12 4.467 16.964 -7.241 92 HG22 THR 12 2HG2 THR 12 5.253 17.533 -8.733 93 HG23 THR 12 3HG2 THR 12 3.829 16.471 -8.827 94 H ASN 13 H ASN 13 8.430 15.908 -9.509 95 HA ASN 13 HA ASN 13 7.886 18.387 -11.057 96 HB2 ASN 13 1HB ASN 13 10.181 17.581 -9.244 97 HB3 ASN 13 2HB ASN 13 10.152 19.069 -10.181 98 HD21 ASN 13 1HD2 ASN 13 8.758 19.341 -6.619 99 HD22 ASN 13 2HD2 ASN 13 10.088 18.414 -7.231 100 H ASN 14 H ASN 14 8.468 15.466 -11.986 101 HA ASN 14 HA ASN 14 10.542 16.288 -13.977 102 HB2 ASN 14 1HB ASN 14 10.127 13.592 -12.651 103 HB3 ASN 14 2HB ASN 14 11.109 13.819 -14.092 104 HD21 ASN 14 1HD2 ASN 14 12.562 14.666 -10.438 105 HD22 ASN 14 2HD2 ASN 14 10.987 13.993 -10.701 106 H ILE 15 H ILE 15 7.377 15.890 -13.639 107 HA ILE 15 HA ILE 15 7.096 14.684 -16.360 108 HB ILE 15 HB ILE 15 5.114 14.713 -14.045 109 HG12 ILE 15 1HG1 ILE 15 6.409 12.380 -15.468 110 HG13 ILE 15 2HG1 ILE 15 6.991 13.056 -13.955 111 HG21 ILE 15 1HG2 ILE 15 3.628 13.462 -15.559 112 HG22 ILE 15 2HG2 ILE 15 3.971 15.086 -16.198 113 HG23 ILE 15 3HG2 ILE 15 4.798 13.668 -16.884 114 HD11 ILE 15 1HD1 ILE 15 5.620 11.085 -13.566 115 HD12 ILE 15 2HD1 ILE 15 4.843 12.532 -12.881 116 HD13 ILE 15 3HD1 ILE 15 4.255 11.846 -14.415 117 H THR 16 H THR 16 6.543 16.015 -17.916 118 HA THR 16 HA THR 16 5.640 18.730 -17.228 119 HB THR 16 HB THR 16 5.970 19.241 -19.598 120 HG1 THR 16 HG1 THR 16 6.723 16.536 -20.029 121 HG21 THR 16 1HG2 THR 16 8.360 18.686 -19.810 122 HG22 THR 16 2HG2 THR 16 7.970 19.192 -18.149 123 HG23 THR 16 3HG2 THR 16 8.197 17.468 -18.525 124 H LEU 17 H LEU 17 3.953 19.704 -18.770 125 HA LEU 17 HA LEU 17 1.461 18.453 -18.203 126 HB2 LEU 17 1HB LEU 17 2.217 20.636 -20.172 127 HB3 LEU 17 2HB LEU 17 0.550 20.152 -19.846 128 HG LEU 17 HG LEU 17 2.461 21.268 -17.764 129 HD11 LEU 17 1HD1 LEU 17 1.121 23.316 -17.960 130 HD12 LEU 17 2HD1 LEU 17 1.942 22.916 -19.488 131 HD13 LEU 17 3HD1 LEU 17 0.204 22.587 -19.298 132 HD21 LEU 17 1HD2 LEU 17 0.395 21.470 -16.421 133 HD22 LEU 17 2HD2 LEU 17 -0.535 20.715 -17.738 134 HD23 LEU 17 3HD2 LEU 17 0.703 19.776 -16.870 135 H GLU 18 H GLU 18 3.479 18.498 -21.124 136 HA GLU 18 HA GLU 18 1.617 17.082 -22.787 137 HB2 GLU 18 1HB GLU 18 4.643 17.364 -22.901 138 HB3 GLU 18 2HB GLU 18 3.704 16.540 -24.137 139 HG2 GLU 18 1HG GLU 18 2.469 18.613 -24.595 140 HG3 GLU 18 2HG GLU 18 3.388 19.443 -23.342 141 H ASP 19 H ASP 19 4.181 16.044 -20.571 142 HA ASP 19 HA ASP 19 4.034 13.256 -21.247 143 HB2 ASP 19 1HB ASP 19 4.990 14.706 -18.750 144 HB3 ASP 19 2HB ASP 19 5.109 12.963 -18.954 145 H LEU 20 H LEU 20 2.333 15.299 -18.901 146 HA LEU 20 HA LEU 20 0.881 13.225 -17.597 147 HB2 LEU 20 1HB LEU 20 0.231 16.137 -18.146 148 HB3 LEU 20 2HB LEU 20 -0.815 15.087 -17.186 149 HG LEU 20 HG LEU 20 2.074 15.732 -16.502 150 HD11 LEU 20 1HD1 LEU 20 1.107 17.175 -14.768 151 HD12 LEU 20 2HD1 LEU 20 0.660 17.720 -16.403 152 HD13 LEU 20 3HD1 LEU 20 -0.523 16.845 -15.402 153 HD21 LEU 20 1HD2 LEU 20 1.461 14.730 -14.327 154 HD22 LEU 20 2HD2 LEU 20 -0.165 14.364 -14.953 155 HD23 LEU 20 3HD2 LEU 20 1.261 13.558 -15.651 156 H GLU 21 H GLU 21 0.235 15.069 -20.566 157 HA GLU 21 HA GLU 21 -2.387 13.978 -20.997 158 HB2 GLU 21 1HB GLU 21 -0.367 15.260 -22.873 159 HB3 GLU 21 2HB GLU 21 -1.970 14.759 -23.392 160 HG2 GLU 21 1HG GLU 21 -1.357 16.806 -21.249 161 HG3 GLU 21 2HG GLU 21 -1.871 17.146 -22.900 162 H GLN 22 H GLN 22 0.867 12.945 -21.903 163 HA GLN 22 HA GLN 22 0.080 10.816 -23.643 164 HB2 GLN 22 1HB GLN 22 2.543 11.223 -21.908 165 HB3 GLN 22 2HB GLN 22 2.355 9.854 -22.994 166 HG2 GLN 22 1HG GLN 22 2.242 11.320 -24.914 167 HG3 GLN 22 2HG GLN 22 2.283 12.754 -23.850 168 HE21 GLN 22 1HE2 GLN 22 5.729 12.956 -24.036 169 HE22 GLN 22 2HE2 GLN 22 4.183 13.736 -23.974 170 H LEU 23 H LEU 23 0.665 10.944 -20.132 171 HA LEU 23 HA LEU 23 0.100 8.145 -19.718 172 HB2 LEU 23 1HB LEU 23 0.116 10.534 -17.846 173 HB3 LEU 23 2HB LEU 23 -0.156 8.875 -17.306 174 HG LEU 23 HG LEU 23 2.370 9.847 -18.688 175 HD11 LEU 23 1HD1 LEU 23 3.378 9.701 -16.453 176 HD12 LEU 23 2HD1 LEU 23 2.069 10.905 -16.507 177 HD13 LEU 23 3HD1 LEU 23 1.785 9.315 -15.760 178 HD21 LEU 23 1HD2 LEU 23 3.259 7.670 -17.924 179 HD22 LEU 23 2HD2 LEU 23 1.664 7.254 -17.251 180 HD23 LEU 23 3HD2 LEU 23 1.865 7.448 -19.009 181 H LYS 24 H LYS 24 -1.829 11.118 -19.601 182 HA LYS 24 HA LYS 24 -4.231 9.902 -18.626 183 HB2 LYS 24 1HB LYS 24 -3.707 12.396 -20.280 184 HB3 LYS 24 2HB LYS 24 -5.326 11.917 -19.787 185 HG2 LYS 24 1HG LYS 24 -4.847 12.240 -17.490 186 HG3 LYS 24 2HG LYS 24 -3.102 12.302 -17.777 187 HD2 LYS 24 1HD LYS 24 -3.827 14.557 -17.436 188 HD3 LYS 24 2HD LYS 24 -3.498 14.385 -19.166 189 HE2 LYS 24 1HE LYS 24 -5.895 14.081 -19.615 190 HE3 LYS 24 2HE LYS 24 -6.249 14.174 -17.888 191 HZ1 LYS 24 1HZ LYS 24 -6.637 16.258 -18.981 192 HZ2 LYS 24 2HZ LYS 24 -5.406 16.420 -17.895 193 HZ3 LYS 24 3HZ LYS 24 -5.076 16.333 -19.508 194 H SER 25 H SER 25 -2.900 10.333 -21.885 195 HA SER 25 HA SER 25 -5.177 9.226 -23.254 196 HB2 SER 25 1HB SER 25 -2.248 9.392 -24.036 197 HB3 SER 25 2HB SER 25 -3.536 8.888 -25.118 198 HG SER 25 HG SER 25 -3.134 11.365 -23.874 199 H ALA 26 H ALA 26 -2.160 7.832 -21.979 200 HA ALA 26 HA ALA 26 -2.545 5.196 -22.944 201 HB1 ALA 26 1HB ALA 26 -1.018 4.518 -21.121 202 HB2 ALA 26 2HB ALA 26 -0.427 5.964 -21.972 203 HB3 ALA 26 3HB ALA 26 -1.202 6.124 -20.380 204 H CYS 27 H CYS 27 -3.725 6.791 -20.000 205 HA CYS 27 HA CYS 27 -5.403 4.379 -19.481 206 HB2 CYS 27 1HB CYS 27 -4.669 6.699 -17.653 207 HB3 CYS 27 2HB CYS 27 -5.752 5.385 -17.218 208 HG CYS 27 HG CYS 27 -2.590 5.220 -18.081 209 H LYS 28 H LYS 28 -6.080 6.111 -21.607 210 HA LYS 28 HA LYS 28 -7.928 8.147 -20.909 211 HB2 LYS 28 1HB LYS 28 -7.008 7.846 -23.188 212 HB3 LYS 28 2HB LYS 28 -7.901 6.342 -23.361 213 HG2 LYS 28 1HG LYS 28 -10.026 7.555 -23.223 214 HG3 LYS 28 2HG LYS 28 -9.154 9.076 -22.979 215 HD2 LYS 28 1HD LYS 28 -8.084 8.833 -25.188 216 HD3 LYS 28 2HD LYS 28 -8.918 7.291 -25.430 217 HE2 LYS 28 1HE LYS 28 -11.100 8.450 -25.296 218 HE3 LYS 28 2HE LYS 28 -10.270 9.989 -25.054 219 HZ1 LYS 28 1HZ LYS 28 -10.909 9.679 -27.331 220 HZ2 LYS 28 2HZ LYS 28 -9.263 9.718 -27.216 221 HZ3 LYS 28 3HZ LYS 28 -10.040 8.281 -27.441 222 H GLU 29 H GLU 29 -8.404 4.663 -21.450 223 HA GLU 29 HA GLU 29 -11.282 4.961 -20.840 224 HB2 GLU 29 1HB GLU 29 -9.616 2.555 -21.681 225 HB3 GLU 29 2HB GLU 29 -11.343 2.498 -21.363 226 HG2 GLU 29 1HG GLU 29 -11.746 4.089 -23.187 227 HG3 GLU 29 2HG GLU 29 -10.014 4.181 -23.497 228 H ASP 30 H ASP 30 -8.305 3.953 -19.351 229 HA ASP 30 HA ASP 30 -9.543 2.270 -17.337 230 HB2 ASP 30 1HB ASP 30 -6.772 3.499 -17.583 231 HB3 ASP 30 2HB ASP 30 -7.249 2.468 -16.240 232 H ILE 31 H ILE 31 -8.405 5.628 -17.491 233 HA ILE 31 HA ILE 31 -9.553 6.047 -14.767 234 HB ILE 31 HB ILE 31 -7.468 7.671 -16.286 235 HG12 ILE 31 1HG1 ILE 31 -7.209 6.038 -13.752 236 HG13 ILE 31 2HG1 ILE 31 -6.704 5.496 -15.344 237 HG21 ILE 31 1HG2 ILE 31 -7.318 9.013 -14.228 238 HG22 ILE 31 2HG2 ILE 31 -8.945 9.117 -14.942 239 HG23 ILE 31 3HG2 ILE 31 -8.662 8.086 -13.520 240 HD11 ILE 31 1HD1 ILE 31 -4.816 6.339 -14.065 241 HD12 ILE 31 2HD1 ILE 31 -5.114 7.364 -15.489 242 HD13 ILE 31 3HD1 ILE 31 -5.624 7.913 -13.875 243 HA PRO 32 HA PRO 32 -12.912 8.073 -16.763 244 HB2 PRO 32 1HB PRO 32 -13.087 9.296 -13.983 245 HB3 PRO 32 2HB PRO 32 -14.377 8.607 -14.976 246 HG2 PRO 32 1HG PRO 32 -13.401 7.138 -12.984 247 HG3 PRO 32 2HG PRO 32 -13.707 6.363 -14.541 248 HD2 PRO 32 1HD PRO 32 -11.074 7.339 -13.369 249 HD3 PRO 32 2HD PRO 32 -11.422 5.813 -14.276 250 H SER 33 H SER 33 -13.289 10.134 -17.600 251 HA SER 33 HA SER 33 -10.938 11.730 -17.894 252 HB2 SER 33 1HB SER 33 -12.307 13.173 -19.263 253 HB3 SER 33 2HB SER 33 -12.726 11.501 -19.604 254 HG SER 33 HG SER 33 -14.304 12.003 -17.751 255 H GLU 34 H GLU 34 -13.724 11.958 -15.770 256 HA GLU 34 HA GLU 34 -13.138 14.669 -14.899 257 HB2 GLU 34 1HB GLU 34 -14.831 14.243 -13.170 258 HB3 GLU 34 2HB GLU 34 -15.417 13.739 -14.750 259 HG2 GLU 34 1HG GLU 34 -14.121 11.726 -12.942 260 HG3 GLU 34 2HG GLU 34 -15.780 12.240 -12.643 261 H LYS 35 H LYS 35 -11.780 11.612 -14.271 262 HA LYS 35 HA LYS 35 -10.633 12.560 -11.691 263 HB2 LYS 35 1HB LYS 35 -10.614 9.808 -12.991 264 HB3 LYS 35 2HB LYS 35 -9.824 10.199 -11.470 265 HG2 LYS 35 1HG LYS 35 -12.804 10.350 -12.017 266 HG3 LYS 35 2HG LYS 35 -11.964 9.096 -11.095 267 HD2 LYS 35 1HD LYS 35 -11.207 10.818 -9.469 268 HD3 LYS 35 2HD LYS 35 -12.097 12.048 -10.380 269 HE2 LYS 35 1HE LYS 35 -14.206 10.786 -9.981 270 HE3 LYS 35 2HE LYS 35 -13.304 9.607 -9.025 271 HZ1 LYS 35 1HZ LYS 35 -14.349 11.247 -7.645 272 HZ2 LYS 35 2HZ LYS 35 -12.709 11.373 -7.515 273 HZ3 LYS 35 3HZ LYS 35 -13.553 12.474 -8.407 274 H SER 36 H SER 36 -9.861 11.855 -15.017 275 HA SER 36 HA SER 36 -7.010 11.715 -14.715 276 HB2 SER 36 1HB SER 36 -6.924 11.986 -17.095 277 HB3 SER 36 2HB SER 36 -8.314 10.978 -16.728 278 HG SER 36 HG SER 36 -9.318 13.268 -16.627 279 H GLU 37 H GLU 37 -9.266 14.326 -14.603 280 HA GLU 37 HA GLU 37 -7.170 16.351 -15.077 281 HB2 GLU 37 1HB GLU 37 -10.107 16.641 -14.324 282 HB3 GLU 37 2HB GLU 37 -9.022 17.976 -14.682 283 HG2 GLU 37 1HG GLU 37 -9.817 15.782 -16.609 284 HG3 GLU 37 2HG GLU 37 -10.474 17.417 -16.570 285 H GLU 38 H GLU 38 -8.173 14.433 -12.537 286 HA GLU 38 HA GLU 38 -7.499 16.482 -10.492 287 HB2 GLU 38 1HB GLU 38 -8.595 13.654 -10.217 288 HB3 GLU 38 2HB GLU 38 -8.233 14.719 -8.866 289 HG2 GLU 38 1HG GLU 38 -9.912 16.323 -9.668 290 HG3 GLU 38 2HG GLU 38 -10.268 15.273 -11.038 291 H ILE 39 H ILE 39 -5.930 14.296 -12.414 292 HA ILE 39 HA ILE 39 -3.949 13.607 -10.288 293 HB ILE 39 HB ILE 39 -4.514 12.222 -12.945 294 HG12 ILE 39 1HG1 ILE 39 -4.950 11.216 -10.127 295 HG13 ILE 39 2HG1 ILE 39 -6.212 11.927 -11.120 296 HG21 ILE 39 1HG2 ILE 39 -2.887 10.547 -12.166 297 HG22 ILE 39 2HG2 ILE 39 -2.124 12.143 -12.346 298 HG23 ILE 39 3HG2 ILE 39 -2.548 11.539 -10.728 299 HD11 ILE 39 1HD1 ILE 39 -6.294 9.498 -11.203 300 HD12 ILE 39 2HD1 ILE 39 -5.896 10.166 -12.804 301 HD13 ILE 39 3HD1 ILE 39 -4.618 9.445 -11.797 302 H THR 40 H THR 40 -2.365 15.045 -10.274 303 HA THR 40 HA THR 40 -1.137 15.751 -12.903 304 HB THR 40 HB THR 40 -0.655 18.014 -12.035 305 HG1 THR 40 HG1 THR 40 -0.610 17.766 -9.846 306 HG21 THR 40 1HG2 THR 40 -2.956 18.894 -12.052 307 HG22 THR 40 2HG2 THR 40 -2.744 17.642 -13.300 308 HG23 THR 40 3HG2 THR 40 -3.589 17.253 -11.784 309 H THR 41 H THR 41 -0.762 14.834 -9.576 310 HA THR 41 HA THR 41 2.179 15.206 -9.731 311 HB THR 41 HB THR 41 2.214 14.797 -7.337 312 HG1 THR 41 HG1 THR 41 0.670 13.685 -6.416 313 HG21 THR 41 1HG2 THR 41 0.749 16.611 -6.540 314 HG22 THR 41 2HG2 THR 41 1.553 17.064 -8.061 315 HG23 THR 41 3HG2 THR 41 -0.153 16.561 -8.073 316 H GLY 42 H GLY 42 3.570 13.468 -8.886 317 HA2 GLY 42 1HA GLY 42 3.082 10.982 -10.251 318 HA3 GLY 42 2HA GLY 42 4.398 11.311 -9.138 319 H SER 43 H SER 43 2.710 12.087 -6.900 320 HA SER 43 HA SER 43 2.138 9.489 -5.795 321 HB2 SER 43 1HB SER 43 1.376 10.703 -3.846 322 HB3 SER 43 2HB SER 43 2.848 11.450 -4.449 323 HG SER 43 HG SER 43 0.455 12.498 -4.105 324 H ALA 44 H ALA 44 0.218 11.960 -7.396 325 HA ALA 44 HA ALA 44 -2.349 10.899 -6.683 326 HB1 ALA 44 1HB ALA 44 -3.180 12.236 -8.591 327 HB2 ALA 44 2HB ALA 44 -2.071 13.174 -7.563 328 HB3 ALA 44 3HB ALA 44 -1.504 12.516 -9.115 329 H TRP 45 H TRP 45 -0.202 10.358 -9.474 330 HA TRP 45 HA TRP 45 -1.850 8.557 -10.893 331 HB2 TRP 45 1HB TRP 45 1.166 8.772 -10.621 332 HB3 TRP 45 2HB TRP 45 0.409 7.576 -11.664 333 HD1 TRP 45 HD1 TRP 45 1.669 11.042 -11.724 334 HE1 TRP 45 HE1 TRP 45 0.909 12.282 -13.863 335 HE3 TRP 45 HE3 TRP 45 -1.928 7.747 -13.309 336 HZ2 TRP 45 HZ2 TRP 45 -0.967 11.888 -15.935 337 HZ3 TRP 45 HZ3 TRP 45 -3.171 8.239 -15.378 338 HH2 TRP 45 HH2 TRP 45 -2.701 10.273 -16.676 339 H PHE 46 H PHE 46 0.580 7.888 -8.355 340 HA PHE 46 HA PHE 46 0.165 5.051 -8.374 341 HB2 PHE 46 1HB PHE 46 2.202 6.053 -7.448 342 HB3 PHE 46 2HB PHE 46 1.272 6.889 -6.215 343 HD1 PHE 46 HD1 PHE 46 2.165 3.492 -7.446 344 HD2 PHE 46 HD2 PHE 46 0.813 5.870 -4.163 345 HE1 PHE 46 HE1 PHE 46 2.426 1.553 -5.936 346 HE2 PHE 46 HE2 PHE 46 1.075 3.933 -2.649 347 HZ PHE 46 HZ PHE 46 1.881 1.773 -3.537 348 H SER 47 H SER 47 -1.057 7.632 -6.213 349 HA SER 47 HA SER 47 -2.326 5.871 -4.384 350 HB2 SER 47 1HB SER 47 -1.834 8.223 -3.880 351 HB3 SER 47 2HB SER 47 -2.990 8.748 -5.095 352 HG SER 47 HG SER 47 -3.427 7.428 -2.671 353 H PHE 48 H PHE 48 -3.636 7.624 -7.207 354 HA PHE 48 HA PHE 48 -6.336 6.842 -6.868 355 HB2 PHE 48 1HB PHE 48 -5.582 8.611 -8.437 356 HB3 PHE 48 2HB PHE 48 -4.828 7.396 -9.455 357 HD1 PHE 48 HD1 PHE 48 -8.007 8.831 -8.327 358 HD2 PHE 48 HD2 PHE 48 -6.150 5.934 -10.859 359 HE1 PHE 48 HE1 PHE 48 -10.133 8.547 -9.558 360 HE2 PHE 48 HE2 PHE 48 -8.273 5.650 -12.093 361 HZ PHE 48 HZ PHE 48 -10.265 6.956 -11.441 362 H LEU 49 H LEU 49 -3.809 5.375 -8.946 363 HA LEU 49 HA LEU 49 -5.476 3.249 -9.870 364 HB2 LEU 49 1HB LEU 49 -2.458 3.519 -9.683 365 HB3 LEU 49 2HB LEU 49 -3.269 2.163 -10.470 366 HG LEU 49 HG LEU 49 -3.573 5.064 -11.319 367 HD11 LEU 49 1HD1 LEU 49 -2.088 4.454 -13.176 368 HD12 LEU 49 2HD1 LEU 49 -1.272 4.296 -11.602 369 HD13 LEU 49 3HD1 LEU 49 -1.850 2.844 -12.455 370 HD21 LEU 49 1HD2 LEU 49 -4.559 4.042 -13.341 371 HD22 LEU 49 2HD2 LEU 49 -4.355 2.426 -12.624 372 HD23 LEU 49 3HD2 LEU 49 -5.477 3.593 -11.884 373 H GLU 50 H GLU 50 -3.287 3.551 -7.102 374 HA GLU 50 HA GLU 50 -3.364 0.847 -6.239 375 HB2 GLU 50 1HB GLU 50 -1.829 2.560 -5.305 376 HB3 GLU 50 2HB GLU 50 -3.193 3.388 -4.566 377 HG2 GLU 50 1HG GLU 50 -3.651 1.351 -3.212 378 HG3 GLU 50 2HG GLU 50 -2.213 0.603 -3.905 379 H SER 51 H SER 51 -5.521 3.590 -5.485 380 HA SER 51 HA SER 51 -7.054 2.134 -3.543 381 HB2 SER 51 1HB SER 51 -8.550 4.013 -3.582 382 HB3 SER 51 2HB SER 51 -6.908 4.626 -3.708 383 HG SER 51 HG SER 51 -7.370 4.405 -6.079 384 H HIS 52 H HIS 52 -7.147 2.319 -7.015 385 HA HIS 52 HA HIS 52 -9.799 0.957 -7.074 386 HB2 HIS 52 1HB HIS 52 -8.106 2.234 -9.246 387 HB3 HIS 52 2HB HIS 52 -9.549 1.287 -9.579 388 HD1 HIS 52 HD1 HIS 52 -11.829 2.243 -8.397 389 HD2 HIS 52 HD2 HIS 52 -8.636 4.982 -8.648 390 HE1 HIS 52 HE1 HIS 52 -12.826 4.462 -8.175 391 H ASN 53 H ASN 53 -6.914 -0.089 -6.398 392 HA ASN 53 HA ASN 53 -5.916 -2.158 -6.554 393 HB2 ASN 53 1HB ASN 53 -8.687 -2.945 -7.516 394 HB3 ASN 53 2HB ASN 53 -7.423 -4.080 -7.060 395 HD21 ASN 53 1HD2 ASN 53 -9.870 -3.042 -4.267 396 HD22 ASN 53 2HD2 ASN 53 -10.161 -3.245 -5.961 397 H LYS 54 H LYS 54 -5.481 -0.420 -8.712 398 HA LYS 54 HA LYS 54 -5.463 -2.240 -11.061 399 HB2 LYS 54 1HB LYS 54 -4.691 0.698 -10.841 400 HB3 LYS 54 2HB LYS 54 -4.735 -0.240 -12.327 401 HG2 LYS 54 1HG LYS 54 -7.127 0.383 -10.569 402 HG3 LYS 54 2HG LYS 54 -6.708 1.192 -12.086 403 HD2 LYS 54 1HD LYS 54 -6.901 -0.994 -13.273 404 HD3 LYS 54 2HD LYS 54 -7.398 -1.751 -11.752 405 HE2 LYS 54 1HE LYS 54 -9.342 -0.212 -11.634 406 HE3 LYS 54 2HE LYS 54 -8.855 0.511 -13.170 407 HZ1 LYS 54 1HZ LYS 54 -10.544 -1.145 -13.470 408 HZ2 LYS 54 2HZ LYS 54 -9.151 -1.633 -14.205 409 HZ3 LYS 54 3HZ LYS 54 -9.607 -2.307 -12.771 410 H LEU 55 H LEU 55 -3.520 -1.376 -8.457 411 HA LEU 55 HA LEU 55 -1.049 -2.065 -9.989 412 HB2 LEU 55 1HB LEU 55 -1.267 -0.520 -7.383 413 HB3 LEU 55 2HB LEU 55 0.210 -0.834 -8.299 414 HG LEU 55 HG LEU 55 -2.111 0.911 -9.200 415 HD11 LEU 55 1HD1 LEU 55 -0.497 2.737 -8.906 416 HD12 LEU 55 2HD1 LEU 55 -0.807 1.880 -7.377 417 HD13 LEU 55 3HD1 LEU 55 0.699 1.580 -8.278 418 HD21 LEU 55 1HD2 LEU 55 -0.609 1.485 -11.078 419 HD22 LEU 55 2HD2 LEU 55 0.587 0.309 -10.481 420 HD23 LEU 55 3HD2 LEU 55 -0.993 -0.254 -11.074 421 H ASP 56 H ASP 56 0.386 -3.555 -9.159 422 HA ASP 56 HA ASP 56 -0.115 -4.727 -6.515 423 HB2 ASP 56 1HB ASP 56 -1.523 -5.935 -8.436 424 HB3 ASP 56 2HB ASP 56 0.020 -6.708 -8.775 425 H LYS 57 H LYS 57 1.493 -6.634 -6.184 426 HA LYS 57 HA LYS 57 4.126 -5.584 -6.524 427 HB2 LYS 57 1HB LYS 57 3.124 -8.348 -5.749 428 HB3 LYS 57 2HB LYS 57 4.828 -7.918 -5.763 429 HG2 LYS 57 1HG LYS 57 4.419 -6.172 -4.081 430 HG3 LYS 57 2HG LYS 57 2.695 -6.568 -4.083 431 HD2 LYS 57 1HD LYS 57 3.235 -8.877 -3.348 432 HD3 LYS 57 2HD LYS 57 4.953 -8.456 -3.317 433 HE2 LYS 57 1HE LYS 57 4.534 -6.755 -1.599 434 HE3 LYS 57 2HE LYS 57 2.800 -7.083 -1.664 435 HZ1 LYS 57 1HZ LYS 57 3.842 -8.206 0.164 436 HZ2 LYS 57 2HZ LYS 57 3.254 -9.315 -0.906 437 HZ3 LYS 57 3HZ LYS 57 4.873 -9.007 -0.844 438 H ASP 58 H ASP 58 2.250 -7.954 -8.357 439 HA ASP 58 HA ASP 58 4.525 -8.352 -10.207 440 HB2 ASP 58 1HB ASP 58 1.730 -9.560 -10.145 441 HB3 ASP 58 2HB ASP 58 2.953 -9.948 -11.347 442 H ASN 59 H ASN 59 1.375 -6.781 -10.025 443 HA ASN 59 HA ASN 59 1.428 -6.079 -12.879 444 HB2 ASN 59 1HB ASN 59 -0.695 -6.612 -11.681 445 HB3 ASN 59 2HB ASN 59 -0.468 -5.180 -10.685 446 HD21 ASN 59 1HD2 ASN 59 -2.749 -4.259 -13.404 447 HD22 ASN 59 2HD2 ASN 59 -2.742 -5.355 -12.063 448 H LEU 60 H LEU 60 3.435 -4.952 -12.906 449 HA LEU 60 HA LEU 60 3.217 -2.193 -11.803 450 HB2 LEU 60 1HB LEU 60 5.607 -3.561 -13.087 451 HB3 LEU 60 2HB LEU 60 5.598 -1.983 -12.294 452 HG LEU 60 HG LEU 60 5.154 -4.664 -10.934 453 HD11 LEU 60 1HD1 LEU 60 7.332 -4.197 -9.904 454 HD12 LEU 60 2HD1 LEU 60 7.453 -4.313 -11.676 455 HD13 LEU 60 3HD1 LEU 60 7.479 -2.719 -10.884 456 HD21 LEU 60 1HD2 LEU 60 5.224 -3.326 -8.857 457 HD22 LEU 60 2HD2 LEU 60 5.340 -1.835 -9.820 458 HD23 LEU 60 3HD2 LEU 60 3.865 -2.828 -9.894 459 H SER 61 H SER 61 1.655 -3.196 -14.091 460 HA SER 61 HA SER 61 2.979 -2.513 -16.549 461 HB2 SER 61 1HB SER 61 0.810 -2.835 -17.579 462 HB3 SER 61 2HB SER 61 1.077 -4.094 -16.384 463 HG SER 61 HG SER 61 -0.303 -3.172 -15.047 464 H TYR 62 H TYR 62 1.129 -0.692 -14.210 465 HA TYR 62 HA TYR 62 1.022 1.645 -16.030 466 HB2 TYR 62 1HB TYR 62 -0.039 1.259 -13.200 467 HB3 TYR 62 2HB TYR 62 -0.246 2.714 -14.164 468 HD1 TYR 62 HD1 TYR 62 -1.617 -0.439 -13.294 469 HD2 TYR 62 HD2 TYR 62 -1.411 2.433 -16.475 470 HE1 TYR 62 HE1 TYR 62 -3.676 -1.384 -14.281 471 HE2 TYR 62 HE2 TYR 62 -3.470 1.487 -17.463 472 HH TYR 62 HH TYR 62 -5.152 0.052 -17.185 473 H ILE 63 H ILE 63 2.614 0.512 -13.087 474 HA ILE 63 HA ILE 63 3.717 3.043 -12.335 475 HB ILE 63 HB ILE 63 4.540 0.186 -11.691 476 HG12 ILE 63 1HG1 ILE 63 3.271 2.275 -9.915 477 HG13 ILE 63 2HG1 ILE 63 2.335 1.134 -10.866 478 HG21 ILE 63 1HG2 ILE 63 5.976 1.153 -9.940 479 HG22 ILE 63 2HG2 ILE 63 6.516 1.653 -11.560 480 HG23 ILE 63 3HG2 ILE 63 5.608 2.789 -10.535 481 HD11 ILE 63 1HD1 ILE 63 2.598 0.359 -8.577 482 HD12 ILE 63 2HD1 ILE 63 3.420 -0.742 -9.710 483 HD13 ILE 63 3HD1 ILE 63 4.369 0.414 -8.744 484 H GLU 64 H GLU 64 5.165 0.257 -14.055 485 HA GLU 64 HA GLU 64 7.676 1.522 -14.539 486 HB2 GLU 64 1HB GLU 64 6.229 -0.718 -16.004 487 HB3 GLU 64 2HB GLU 64 7.870 -0.217 -16.385 488 HG2 GLU 64 1HG GLU 64 8.613 -0.816 -14.144 489 HG3 GLU 64 2HG GLU 64 6.963 -1.227 -13.680 490 H HIS 65 H HIS 65 4.629 1.499 -16.335 491 HA HIS 65 HA HIS 65 5.588 2.644 -18.763 492 HB2 HIS 65 1HB HIS 65 3.333 1.632 -18.483 493 HB3 HIS 65 2HB HIS 65 2.862 2.981 -17.458 494 HD1 HIS 65 HD1 HIS 65 4.171 2.443 -21.015 495 HD2 HIS 65 HD2 HIS 65 1.589 5.042 -18.932 496 HE1 HIS 65 HE1 HIS 65 3.269 3.980 -22.686 497 H ILE 66 H ILE 66 4.436 4.152 -15.755 498 HA ILE 66 HA ILE 66 4.450 6.834 -16.654 499 HB ILE 66 HB ILE 66 4.940 5.635 -13.902 500 HG12 ILE 66 1HG1 ILE 66 2.544 7.134 -14.968 501 HG13 ILE 66 2HG1 ILE 66 2.696 5.386 -15.043 502 HG21 ILE 66 1HG2 ILE 66 4.602 7.905 -13.011 503 HG22 ILE 66 2HG2 ILE 66 6.053 7.831 -14.039 504 HG23 ILE 66 3HG2 ILE 66 4.553 8.552 -14.669 505 HD11 ILE 66 1HD1 ILE 66 1.372 6.068 -13.122 506 HD12 ILE 66 2HD1 ILE 66 2.881 5.283 -12.595 507 HD13 ILE 66 3HD1 ILE 66 2.723 7.054 -12.518 508 H PHE 67 H PHE 67 7.065 4.802 -15.382 509 HA PHE 67 HA PHE 67 9.025 6.916 -15.334 510 HB2 PHE 67 1HB PHE 67 9.244 3.887 -15.368 511 HB3 PHE 67 2HB PHE 67 10.654 4.932 -15.322 512 HD1 PHE 67 HD1 PHE 67 8.063 3.362 -13.414 513 HD2 PHE 67 HD2 PHE 67 10.881 6.574 -13.389 514 HE1 PHE 67 HE1 PHE 67 7.871 3.509 -10.953 515 HE2 PHE 67 HE2 PHE 67 10.694 6.722 -10.928 516 HZ PHE 67 HZ PHE 67 9.187 5.190 -9.711 517 H GLU 68 H GLU 68 7.901 4.640 -17.775 518 HA GLU 68 HA GLU 68 9.984 5.152 -19.686 519 HB2 GLU 68 1HB GLU 68 7.111 4.202 -20.007 520 HB3 GLU 68 2HB GLU 68 8.247 4.310 -21.344 521 HG2 GLU 68 1HG GLU 68 9.703 2.675 -20.310 522 HG3 GLU 68 2HG GLU 68 8.698 2.640 -18.863 523 H ILE 69 H ILE 69 6.860 6.691 -19.007 524 HA ILE 69 HA ILE 69 7.058 8.476 -21.298 525 HB ILE 69 HB ILE 69 5.219 8.491 -18.868 526 HG12 ILE 69 1HG1 ILE 69 4.890 6.554 -20.277 527 HG13 ILE 69 2HG1 ILE 69 3.539 7.665 -20.443 528 HG21 ILE 69 1HG2 ILE 69 3.868 10.103 -20.147 529 HG22 ILE 69 2HG2 ILE 69 5.484 10.759 -19.798 530 HG23 ILE 69 3HG2 ILE 69 5.107 10.139 -21.422 531 HD11 ILE 69 1HD1 ILE 69 4.183 6.737 -22.596 532 HD12 ILE 69 2HD1 ILE 69 4.466 8.495 -22.562 533 HD13 ILE 69 3HD1 ILE 69 5.834 7.369 -22.394 534 H SER 70 H SER 70 7.594 8.733 -17.790 535 HA SER 70 HA SER 70 8.322 11.544 -17.943 536 HB2 SER 70 1HB SER 70 8.886 11.319 -15.607 537 HB3 SER 70 2HB SER 70 7.372 10.478 -15.906 538 HG SER 70 HG SER 70 8.283 8.638 -15.578 539 H ARG 71 H ARG 71 9.916 8.595 -18.618 540 HA ARG 71 HA ARG 71 12.037 8.203 -19.419 541 HB2 ARG 71 1HB ARG 71 12.214 11.234 -19.526 542 HB3 ARG 71 2HB ARG 71 13.335 10.121 -20.294 543 HG2 ARG 71 1HG ARG 71 11.615 9.324 -21.791 544 HG3 ARG 71 2HG ARG 71 10.382 10.290 -20.944 545 HD2 ARG 71 1HD ARG 71 12.787 11.379 -22.390 546 HD3 ARG 71 2HD ARG 71 11.120 11.338 -23.009 547 HE ARG 71 HE ARG 71 12.243 13.174 -21.069 548 HH11 ARG 71 1HH1 ARG 71 9.293 11.699 -22.281 549 HH12 ARG 71 2HH1 ARG 71 8.263 12.994 -21.714 550 HH21 ARG 71 1HH2 ARG 71 10.895 14.850 -20.339 551 HH22 ARG 71 2HH2 ARG 71 9.169 14.778 -20.614 552 H ARG 72 H ARG 72 11.902 7.821 -16.807 553 HA ARG 72 HA ARG 72 14.516 8.912 -15.869 554 HB2 ARG 72 1HB ARG 72 12.001 8.506 -14.218 555 HB3 ARG 72 2HB ARG 72 13.590 8.814 -13.535 556 HG2 ARG 72 1HG ARG 72 12.177 10.698 -15.435 557 HG3 ARG 72 2HG ARG 72 12.120 10.813 -13.660 558 HD2 ARG 72 1HD ARG 72 14.556 11.018 -13.621 559 HD3 ARG 72 2HD ARG 72 14.571 10.972 -15.399 560 HE ARG 72 HE ARG 72 13.685 13.171 -13.677 561 HH11 ARG 72 1HH1 ARG 72 13.876 11.822 -16.915 562 HH12 ARG 72 2HH1 ARG 72 13.622 13.361 -17.707 563 HH21 ARG 72 1HH2 ARG 72 13.356 15.163 -14.717 564 HH22 ARG 72 2HH2 ARG 72 13.327 15.253 -16.463 565 HA PRO 73 HA PRO 73 14.449 4.332 -15.874 566 HB2 PRO 73 1HB PRO 73 16.933 3.984 -17.015 567 HB3 PRO 73 2HB PRO 73 15.470 4.247 -17.975 568 HG2 PRO 73 1HG PRO 73 17.566 6.277 -17.093 569 HG3 PRO 73 2HG PRO 73 16.879 6.044 -18.703 570 HD2 PRO 73 1HD PRO 73 15.932 7.982 -17.055 571 HD3 PRO 73 2HD PRO 73 14.819 7.055 -18.140 572 H ASP 74 H ASP 74 16.510 6.824 -14.643 573 HA ASP 74 HA ASP 74 18.298 5.242 -13.064 574 HB2 ASP 74 1HB ASP 74 17.254 8.078 -12.743 575 HB3 ASP 74 2HB ASP 74 18.445 7.373 -11.658 576 H LEU 75 H LEU 75 14.959 6.186 -12.663 577 HA LEU 75 HA LEU 75 14.970 5.115 -9.889 578 HB2 LEU 75 1HB LEU 75 12.788 6.545 -11.447 579 HB3 LEU 75 2HB LEU 75 12.679 6.032 -9.760 580 HG LEU 75 HG LEU 75 14.581 8.132 -10.860 581 HD11 LEU 75 1HD1 LEU 75 13.175 9.689 -9.586 582 HD12 LEU 75 2HD1 LEU 75 12.246 8.847 -10.850 583 HD13 LEU 75 3HD1 LEU 75 12.089 8.349 -9.149 584 HD21 LEU 75 1HD2 LEU 75 15.101 8.525 -8.476 585 HD22 LEU 75 2HD2 LEU 75 14.042 7.169 -8.021 586 HD23 LEU 75 3HD2 LEU 75 15.524 6.865 -8.958 587 H LEU 76 H LEU 76 13.682 4.551 -13.126 588 HA LEU 76 HA LEU 76 11.930 2.406 -12.513 589 HB2 LEU 76 1HB LEU 76 12.086 3.528 -14.722 590 HB3 LEU 76 2HB LEU 76 13.671 2.790 -14.976 591 HG LEU 76 HG LEU 76 12.628 0.550 -14.975 592 HD11 LEU 76 1HD1 LEU 76 10.182 0.354 -15.001 593 HD12 LEU 76 2HD1 LEU 76 10.771 1.034 -13.466 594 HD13 LEU 76 3HD1 LEU 76 10.039 2.100 -14.689 595 HD21 LEU 76 1HD2 LEU 76 11.438 0.809 -17.126 596 HD22 LEU 76 2HD2 LEU 76 11.312 2.563 -16.845 597 HD23 LEU 76 3HD2 LEU 76 12.908 1.812 -17.082 598 H THR 77 H THR 77 15.437 2.477 -13.083 599 HA THR 77 HA THR 77 16.024 -0.247 -13.057 600 HB THR 77 HB THR 77 17.552 2.000 -11.674 601 HG1 THR 77 HG1 THR 77 17.437 2.409 -13.849 602 HG21 THR 77 1HG2 THR 77 19.499 0.503 -11.877 603 HG22 THR 77 2HG2 THR 77 18.237 -0.229 -10.858 604 HG23 THR 77 3HG2 THR 77 18.453 -0.775 -12.538 605 H MET 78 H MET 78 15.448 1.882 -10.254 606 HA MET 78 HA MET 78 15.839 -0.160 -8.283 607 HB2 MET 78 1HB MET 78 14.265 2.439 -8.228 608 HB3 MET 78 2HB MET 78 14.492 1.417 -6.816 609 HG2 MET 78 1HG MET 78 16.913 1.735 -6.935 610 HG3 MET 78 2HG MET 78 16.737 2.686 -8.412 611 HE1 MET 78 1HE MET 78 15.381 4.010 -4.196 612 HE2 MET 78 2HE MET 78 14.631 2.635 -5.043 613 HE3 MET 78 3HE MET 78 16.338 2.551 -4.546 614 H VAL 79 H VAL 79 12.960 0.981 -10.024 615 HA VAL 79 HA VAL 79 11.041 -0.618 -8.694 616 HB VAL 79 HB VAL 79 11.194 0.313 -11.591 617 HG11 VAL 79 1HG1 VAL 79 8.799 -0.169 -11.726 618 HG12 VAL 79 2HG1 VAL 79 9.761 -1.642 -11.456 619 HG13 VAL 79 3HG1 VAL 79 8.857 -0.909 -10.108 620 HG21 VAL 79 1HG2 VAL 79 9.568 2.004 -10.808 621 HG22 VAL 79 2HG2 VAL 79 9.657 1.329 -9.164 622 HG23 VAL 79 3HG2 VAL 79 11.088 2.101 -9.889 623 H VAL 80 H VAL 80 13.157 -1.352 -11.467 624 HA VAL 80 HA VAL 80 12.156 -3.975 -11.962 625 HB VAL 80 HB VAL 80 14.911 -2.759 -12.427 626 HG11 VAL 80 1HG1 VAL 80 15.305 -4.613 -13.974 627 HG12 VAL 80 2HG1 VAL 80 15.104 -5.176 -12.297 628 HG13 VAL 80 3HG1 VAL 80 13.773 -5.362 -13.465 629 HG21 VAL 80 1HG2 VAL 80 14.106 -2.588 -14.760 630 HG22 VAL 80 2HG2 VAL 80 12.538 -3.272 -14.268 631 HG23 VAL 80 3HG2 VAL 80 13.052 -1.684 -13.649 632 H ASP 81 H ASP 81 14.787 -2.784 -9.867 633 HA ASP 81 HA ASP 81 15.614 -5.333 -8.895 634 HB2 ASP 81 1HB ASP 81 15.724 -2.549 -7.684 635 HB3 ASP 81 2HB ASP 81 16.398 -3.956 -6.873 636 H TYR 82 H TYR 82 13.105 -3.069 -7.792 637 HA TYR 82 HA TYR 82 12.351 -4.653 -5.500 638 HB2 TYR 82 1HB TYR 82 10.926 -2.472 -7.067 639 HB3 TYR 82 2HB TYR 82 10.215 -3.251 -5.660 640 HD1 TYR 82 HD1 TYR 82 11.394 -0.299 -6.432 641 HD2 TYR 82 HD2 TYR 82 12.520 -3.538 -3.852 642 HE1 TYR 82 HE1 TYR 82 12.581 1.288 -4.955 643 HE2 TYR 82 HE2 TYR 82 13.706 -1.951 -2.376 644 HH TYR 82 HH TYR 82 13.773 1.533 -3.096 645 H ARG 83 H ARG 83 11.325 -4.553 -8.881 646 HA ARG 83 HA ARG 83 9.131 -6.349 -8.669 647 HB2 ARG 83 1HB ARG 83 9.654 -5.042 -10.701 648 HB3 ARG 83 2HB ARG 83 11.104 -6.002 -10.955 649 HG2 ARG 83 1HG ARG 83 9.801 -7.983 -11.384 650 HG3 ARG 83 2HG ARG 83 8.297 -7.137 -10.941 651 HD2 ARG 83 1HD ARG 83 8.536 -5.652 -12.803 652 HD3 ARG 83 2HD ARG 83 10.114 -6.366 -13.211 653 HE ARG 83 HE ARG 83 8.388 -8.498 -13.233 654 HH11 ARG 83 1HH1 ARG 83 8.481 -5.376 -14.840 655 HH12 ARG 83 2HH1 ARG 83 7.646 -5.945 -16.268 656 HH21 ARG 83 1HH2 ARG 83 7.305 -9.227 -15.091 657 HH22 ARG 83 2HH2 ARG 83 6.980 -8.125 -16.411 658 H THR 84 H THR 84 12.607 -6.955 -9.243 659 HA THR 84 HA THR 84 12.395 -9.810 -9.268 660 HB THR 84 HB THR 84 14.746 -8.035 -8.480 661 HG1 THR 84 HG1 THR 84 14.267 -7.667 -10.602 662 HG21 THR 84 1HG2 THR 84 16.116 -10.026 -8.963 663 HG22 THR 84 2HG2 THR 84 14.981 -10.343 -7.629 664 HG23 THR 84 3HG2 THR 84 14.641 -10.976 -9.256 665 H ARG 85 H ARG 85 12.907 -7.457 -6.657 666 HA ARG 85 HA ARG 85 13.447 -9.228 -4.548 667 HB2 ARG 85 1HB ARG 85 13.533 -6.776 -4.335 668 HB3 ARG 85 2HB ARG 85 11.785 -6.685 -4.488 669 HG2 ARG 85 1HG ARG 85 11.523 -7.928 -2.387 670 HG3 ARG 85 2HG ARG 85 13.293 -8.032 -2.233 671 HD2 ARG 85 1HD ARG 85 13.441 -5.621 -2.149 672 HD3 ARG 85 2HD ARG 85 11.677 -5.496 -2.347 673 HE ARG 85 HE ARG 85 12.247 -7.157 -0.125 674 HH11 ARG 85 1HH1 ARG 85 12.449 -3.794 -1.120 675 HH12 ARG 85 2HH1 ARG 85 12.277 -3.173 0.506 676 HH21 ARG 85 1HH2 ARG 85 12.023 -6.338 1.981 677 HH22 ARG 85 2HH2 ARG 85 12.035 -4.612 2.262 678 H VAL 86 H VAL 86 10.237 -7.955 -5.526 679 HA VAL 86 HA VAL 86 8.852 -9.607 -3.611 680 HB VAL 86 HB VAL 86 6.808 -8.796 -4.709 681 HG11 VAL 86 1HG1 VAL 86 7.157 -6.389 -4.438 682 HG12 VAL 86 2HG1 VAL 86 7.923 -7.325 -3.132 683 HG13 VAL 86 3HG1 VAL 86 8.918 -6.645 -4.442 684 HG21 VAL 86 1HG2 VAL 86 6.965 -7.356 -6.716 685 HG22 VAL 86 2HG2 VAL 86 8.719 -7.649 -6.786 686 HG23 VAL 86 3HG2 VAL 86 7.580 -8.992 -7.048 687 H LEU 87 H LEU 87 9.860 -10.016 -6.939 688 HA LEU 87 HA LEU 87 8.268 -12.293 -7.581 689 HB2 LEU 87 1HB LEU 87 9.572 -11.088 -9.261 690 HB3 LEU 87 2HB LEU 87 11.079 -11.528 -8.450 691 HG LEU 87 HG LEU 87 10.642 -13.919 -8.987 692 HD11 LEU 87 1HD1 LEU 87 8.853 -14.470 -10.576 693 HD12 LEU 87 2HD1 LEU 87 8.204 -13.815 -9.054 694 HD13 LEU 87 3HD1 LEU 87 8.276 -12.788 -10.507 695 HD21 LEU 87 1HD2 LEU 87 11.091 -13.693 -11.408 696 HD22 LEU 87 2HD2 LEU 87 10.544 -12.000 -11.351 697 HD23 LEU 87 3HD2 LEU 87 12.011 -12.491 -10.472 698 H LYS 88 H LYS 88 11.503 -12.022 -6.087 699 HA LYS 88 HA LYS 88 11.826 -14.855 -5.720 700 HB2 LYS 88 1HB LYS 88 13.129 -12.448 -4.398 701 HB3 LYS 88 2HB LYS 88 13.579 -14.105 -4.015 702 HG2 LYS 88 1HG LYS 88 14.223 -14.480 -6.368 703 HG3 LYS 88 2HG LYS 88 13.771 -12.813 -6.752 704 HD2 LYS 88 1HD LYS 88 15.465 -11.963 -5.195 705 HD3 LYS 88 2HD LYS 88 15.880 -13.614 -4.713 706 HE2 LYS 88 1HE LYS 88 16.603 -14.116 -7.017 707 HE3 LYS 88 2HE LYS 88 16.163 -12.482 -7.522 708 HZ1 LYS 88 1HZ LYS 88 18.499 -12.668 -7.074 709 HZ2 LYS 88 2HZ LYS 88 17.807 -11.629 -5.995 710 HZ3 LYS 88 3HZ LYS 88 18.219 -13.156 -5.525 711 H ILE 89 H ILE 89 10.408 -12.285 -3.757 712 HA ILE 89 HA ILE 89 10.103 -13.838 -1.368 713 HB ILE 89 HB ILE 89 8.620 -11.401 -2.426 714 HG12 ILE 89 1HG1 ILE 89 10.582 -11.651 -0.139 715 HG13 ILE 89 2HG1 ILE 89 11.053 -11.233 -1.778 716 HG21 ILE 89 1HG2 ILE 89 7.664 -11.186 -0.168 717 HG22 ILE 89 2HG2 ILE 89 7.122 -12.689 -0.952 718 HG23 ILE 89 3HG2 ILE 89 8.392 -12.744 0.293 719 HD11 ILE 89 1HD1 ILE 89 10.814 -9.244 -0.400 720 HD12 ILE 89 2HD1 ILE 89 9.602 -9.252 -1.704 721 HD13 ILE 89 3HD1 ILE 89 9.126 -9.675 -0.042 722 H SER 90 H SER 90 7.925 -13.204 -4.122 723 HA SER 90 HA SER 90 5.708 -14.670 -3.087 724 HB2 SER 90 1HB SER 90 5.467 -13.095 -4.927 725 HB3 SER 90 2HB SER 90 6.534 -14.052 -5.940 726 HG SER 90 HG SER 90 4.351 -14.426 -6.348 Start of MODEL 5 1 H1 MET 1 1H MET 1 8.961 -1.309 0.958 2 H2 MET 1 2H MET 1 10.009 -0.114 0.583 3 H3 MET 1 3H MET 1 9.018 0.044 1.871 4 HA MET 1 HA MET 1 8.212 -0.083 -0.923 5 HB2 MET 1 1HB MET 1 6.586 0.230 1.629 6 HB3 MET 1 2HB MET 1 5.947 0.498 0.014 7 HG2 MET 1 1HG MET 1 6.381 -1.847 -0.568 8 HG3 MET 1 2HG MET 1 7.077 -2.126 1.029 9 HE1 MET 1 1HE MET 1 2.616 -1.314 0.140 10 HE2 MET 1 2HE MET 1 3.876 -0.094 -0.172 11 HE3 MET 1 3HE MET 1 3.866 -1.621 -1.089 12 H ALA 2 H ALA 2 9.512 1.737 1.627 13 HA ALA 2 HA ALA 2 8.474 4.317 0.973 14 HB1 ALA 2 1HB ALA 2 10.470 5.179 2.152 15 HB2 ALA 2 2HB ALA 2 9.678 3.873 3.064 16 HB3 ALA 2 3HB ALA 2 11.168 3.542 2.151 17 H GLU 3 H GLU 3 11.098 2.380 -0.366 18 HA GLU 3 HA GLU 3 12.229 4.468 -1.984 19 HB2 GLU 3 1HB GLU 3 13.431 2.711 -3.108 20 HB3 GLU 3 2HB GLU 3 13.366 2.300 -1.400 21 HG2 GLU 3 1HG GLU 3 11.353 1.190 -3.342 22 HG3 GLU 3 2HG GLU 3 12.945 0.461 -3.151 23 H TYR 4 H TYR 4 9.474 2.345 -2.354 24 HA TYR 4 HA TYR 4 9.076 2.865 -5.170 25 HB2 TYR 4 1HB TYR 4 8.064 0.928 -3.953 26 HB3 TYR 4 2HB TYR 4 7.053 2.044 -3.048 27 HD1 TYR 4 HD1 TYR 4 7.957 1.464 -6.648 28 HD2 TYR 4 HD2 TYR 4 4.879 2.201 -3.750 29 HE1 TYR 4 HE1 TYR 4 6.250 1.368 -8.434 30 HE2 TYR 4 HE2 TYR 4 3.174 2.105 -5.535 31 HH TYR 4 HH TYR 4 2.813 1.425 -7.700 32 H GLY 5 H GLY 5 7.759 4.302 -2.181 33 HA2 GLY 5 1HA GLY 5 6.151 6.313 -3.329 34 HA3 GLY 5 2HA GLY 5 6.990 6.455 -1.797 35 H THR 6 H THR 6 9.662 6.271 -2.665 36 HA THR 6 HA THR 6 10.224 8.903 -3.598 37 HB THR 6 HB THR 6 11.979 6.410 -3.623 38 HG1 THR 6 HG1 THR 6 11.294 7.094 -1.541 39 HG21 THR 6 1HG2 THR 6 13.858 7.995 -3.770 40 HG22 THR 6 2HG2 THR 6 12.799 8.130 -5.194 41 HG23 THR 6 3HG2 THR 6 12.712 9.349 -3.902 42 H LEU 7 H LEU 7 10.154 5.770 -5.300 43 HA LEU 7 HA LEU 7 10.941 6.772 -7.846 44 HB2 LEU 7 1HB LEU 7 9.228 4.401 -7.035 45 HB3 LEU 7 2HB LEU 7 9.696 4.724 -8.708 46 HG LEU 7 HG LEU 7 11.675 4.262 -6.449 47 HD11 LEU 7 1HD1 LEU 7 11.941 2.020 -7.415 48 HD12 LEU 7 2HD1 LEU 7 10.289 2.285 -6.808 49 HD13 LEU 7 3HD1 LEU 7 10.618 2.356 -8.556 50 HD21 LEU 7 1HD2 LEU 7 13.253 3.956 -8.328 51 HD22 LEU 7 2HD2 LEU 7 11.949 4.318 -9.484 52 HD23 LEU 7 3HD2 LEU 7 12.521 5.578 -8.364 53 H LEU 8 H LEU 8 7.761 6.494 -6.286 54 HA LEU 8 HA LEU 8 6.212 7.337 -8.528 55 HB2 LEU 8 1HB LEU 8 5.749 7.560 -5.538 56 HB3 LEU 8 2HB LEU 8 4.544 8.028 -6.741 57 HG LEU 8 HG LEU 8 5.694 5.229 -6.460 58 HD11 LEU 8 1HD1 LEU 8 3.527 4.678 -5.450 59 HD12 LEU 8 2HD1 LEU 8 4.419 5.876 -4.481 60 HD13 LEU 8 3HD1 LEU 8 3.062 6.394 -5.510 61 HD21 LEU 8 1HD2 LEU 8 3.808 4.639 -7.943 62 HD22 LEU 8 2HD2 LEU 8 3.346 6.356 -8.039 63 HD23 LEU 8 3HD2 LEU 8 4.895 5.812 -8.726 64 H GLN 9 H GLN 9 7.864 9.133 -5.949 65 HA GLN 9 HA GLN 9 6.932 11.726 -6.746 66 HB2 GLN 9 1HB GLN 9 7.996 11.206 -4.538 67 HB3 GLN 9 2HB GLN 9 9.537 10.984 -5.355 68 HG2 GLN 9 1HG GLN 9 9.466 13.163 -4.355 69 HG3 GLN 9 2HG GLN 9 9.433 13.338 -6.133 70 HE21 GLN 9 1HE2 GLN 9 6.692 15.441 -5.966 71 HE22 GLN 9 2HE2 GLN 9 8.240 15.049 -6.641 72 H ASP 10 H ASP 10 9.715 9.747 -7.703 73 HA ASP 10 HA ASP 10 10.907 11.745 -9.392 74 HB2 ASP 10 1HB ASP 10 11.106 8.713 -9.337 75 HB3 ASP 10 2HB ASP 10 12.015 9.705 -10.468 76 H LEU 11 H LEU 11 8.498 9.198 -9.926 77 HA LEU 11 HA LEU 11 8.353 9.449 -12.763 78 HB2 LEU 11 1HB LEU 11 6.362 8.538 -10.669 79 HB3 LEU 11 2HB LEU 11 5.987 8.527 -12.394 80 HG LEU 11 HG LEU 11 8.329 7.022 -11.187 81 HD11 LEU 11 1HD1 LEU 11 6.903 5.031 -11.355 82 HD12 LEU 11 2HD1 LEU 11 6.236 6.224 -10.216 83 HD13 LEU 11 3HD1 LEU 11 5.531 6.055 -11.841 84 HD21 LEU 11 1HD2 LEU 11 8.225 5.812 -13.341 85 HD22 LEU 11 2HD2 LEU 11 6.871 6.847 -13.857 86 HD23 LEU 11 3HD2 LEU 11 8.483 7.554 -13.597 87 H THR 12 H THR 12 6.461 11.002 -10.159 88 HA THR 12 HA THR 12 4.731 12.401 -11.987 89 HB THR 12 HB THR 12 4.318 11.842 -9.484 90 HG1 THR 12 HG1 THR 12 3.745 14.528 -10.215 91 HG21 THR 12 1HG2 THR 12 4.928 13.653 -7.928 92 HG22 THR 12 2HG2 THR 12 6.380 12.894 -8.620 93 HG23 THR 12 3HG2 THR 12 5.827 14.472 -9.225 94 H ASN 13 H ASN 13 7.849 13.108 -10.559 95 HA ASN 13 HA ASN 13 7.892 15.897 -11.311 96 HB2 ASN 13 1HB ASN 13 10.050 13.877 -10.658 97 HB3 ASN 13 2HB ASN 13 10.428 15.525 -11.141 98 HD21 ASN 13 1HD2 ASN 13 10.288 15.314 -7.439 99 HD22 ASN 13 2HD2 ASN 13 11.171 14.500 -8.687 100 H ASN 14 H ASN 14 8.706 12.881 -12.948 101 HA ASN 14 HA ASN 14 9.888 14.281 -15.230 102 HB2 ASN 14 1HB ASN 14 9.170 11.381 -14.712 103 HB3 ASN 14 2HB ASN 14 9.831 11.945 -16.242 104 HD21 ASN 14 1HD2 ASN 14 12.490 10.730 -13.849 105 HD22 ASN 14 2HD2 ASN 14 10.960 10.076 -14.327 106 H ILE 15 H ILE 15 6.765 12.943 -14.349 107 HA ILE 15 HA ILE 15 5.697 13.084 -17.048 108 HB ILE 15 HB ILE 15 4.358 12.761 -14.332 109 HG12 ILE 15 1HG1 ILE 15 4.732 10.741 -16.549 110 HG13 ILE 15 2HG1 ILE 15 5.858 10.927 -15.213 111 HG21 ILE 15 1HG2 ILE 15 2.333 12.162 -15.598 112 HG22 ILE 15 2HG2 ILE 15 2.817 13.843 -15.924 113 HG23 ILE 15 3HG2 ILE 15 3.159 12.571 -17.121 114 HD11 ILE 15 1HD1 ILE 15 4.297 9.112 -14.796 115 HD12 ILE 15 2HD1 ILE 15 4.065 10.421 -13.613 116 HD13 ILE 15 3HD1 ILE 15 2.924 10.231 -14.965 117 H THR 16 H THR 16 5.128 14.836 -18.102 118 HA THR 16 HA THR 16 4.637 17.348 -16.651 119 HB THR 16 HB THR 16 4.473 18.373 -18.873 120 HG1 THR 16 HG1 THR 16 4.951 15.850 -20.066 121 HG21 THR 16 1HG2 THR 16 6.715 17.818 -19.732 122 HG22 THR 16 2HG2 THR 16 6.729 17.951 -17.957 123 HG23 THR 16 3HG2 THR 16 6.740 16.348 -18.730 124 H LEU 17 H LEU 17 2.751 18.716 -17.508 125 HA LEU 17 HA LEU 17 0.342 17.454 -16.660 126 HB2 LEU 17 1HB LEU 17 0.845 20.024 -18.195 127 HB3 LEU 17 2HB LEU 17 -0.750 19.533 -17.616 128 HG LEU 17 HG LEU 17 1.658 20.047 -15.834 129 HD11 LEU 17 1HD1 LEU 17 0.478 22.112 -15.228 130 HD12 LEU 17 2HD1 LEU 17 0.902 22.081 -16.956 131 HD13 LEU 17 3HD1 LEU 17 -0.772 21.755 -16.444 132 HD21 LEU 17 1HD2 LEU 17 -0.033 19.964 -14.034 133 HD22 LEU 17 2HD2 LEU 17 -1.291 19.576 -15.233 134 HD23 LEU 17 3HD2 LEU 17 0.030 18.425 -14.925 135 H GLU 18 H GLU 18 1.691 18.087 -19.875 136 HA GLU 18 HA GLU 18 -0.600 17.143 -21.337 137 HB2 GLU 18 1HB GLU 18 1.120 18.518 -22.411 138 HB3 GLU 18 2HB GLU 18 2.344 17.297 -22.096 139 HG2 GLU 18 1HG GLU 18 1.690 17.189 -24.398 140 HG3 GLU 18 2HG GLU 18 1.147 15.727 -23.578 141 H ASP 19 H ASP 19 2.428 15.571 -20.279 142 HA ASP 19 HA ASP 19 1.859 12.994 -21.322 143 HB2 ASP 19 1HB ASP 19 3.455 13.856 -18.880 144 HB3 ASP 19 2HB ASP 19 3.397 12.196 -19.460 145 H LEU 20 H LEU 20 0.947 14.531 -18.253 146 HA LEU 20 HA LEU 20 -0.134 12.228 -16.996 147 HB2 LEU 20 1HB LEU 20 0.290 14.264 -15.752 148 HB3 LEU 20 2HB LEU 20 -0.853 15.169 -16.748 149 HG LEU 20 HG LEU 20 -2.713 13.804 -15.816 150 HD11 LEU 20 1HD1 LEU 20 -2.271 12.366 -13.875 151 HD12 LEU 20 2HD1 LEU 20 -1.439 11.777 -15.334 152 HD13 LEU 20 3HD1 LEU 20 -0.523 12.638 -14.073 153 HD21 LEU 20 1HD2 LEU 20 -2.645 14.829 -13.568 154 HD22 LEU 20 2HD2 LEU 20 -0.902 15.135 -13.760 155 HD23 LEU 20 3HD2 LEU 20 -2.072 15.969 -14.809 156 H GLU 21 H GLU 21 -1.716 14.723 -19.011 157 HA GLU 21 HA GLU 21 -4.338 13.594 -18.751 158 HB2 GLU 21 1HB GLU 21 -3.110 15.501 -20.773 159 HB3 GLU 21 2HB GLU 21 -4.801 15.025 -20.828 160 HG2 GLU 21 1HG GLU 21 -3.434 16.439 -18.528 161 HG3 GLU 21 2HG GLU 21 -4.481 17.185 -19.733 162 H GLN 22 H GLN 22 -1.686 13.062 -21.016 163 HA GLN 22 HA GLN 22 -3.149 11.389 -22.833 164 HB2 GLN 22 1HB GLN 22 -0.197 11.563 -22.129 165 HB3 GLN 22 2HB GLN 22 -0.819 10.477 -23.363 166 HG2 GLN 22 1HG GLN 22 -1.689 12.373 -24.633 167 HG3 GLN 22 2HG GLN 22 -1.104 13.489 -23.367 168 HE21 GLN 22 1HE2 GLN 22 1.551 13.800 -25.738 169 HE22 GLN 22 2HE2 GLN 22 -0.012 14.424 -25.325 170 H LEU 23 H LEU 23 -1.270 10.712 -19.886 171 HA LEU 23 HA LEU 23 -1.666 7.872 -19.956 172 HB2 LEU 23 1HB LEU 23 -1.097 9.802 -17.684 173 HB3 LEU 23 2HB LEU 23 -1.169 8.051 -17.472 174 HG LEU 23 HG LEU 23 0.779 9.469 -19.322 175 HD11 LEU 23 1HD1 LEU 23 2.445 8.998 -17.583 176 HD12 LEU 23 2HD1 LEU 23 1.168 10.087 -16.992 177 HD13 LEU 23 3HD1 LEU 23 1.161 8.371 -16.522 178 HD21 LEU 23 1HD2 LEU 23 1.899 7.265 -19.314 179 HD22 LEU 23 2HD2 LEU 23 0.607 6.612 -18.278 180 HD23 LEU 23 3HD2 LEU 23 0.236 7.136 -19.939 181 H LYS 24 H LYS 24 -3.487 10.549 -18.485 182 HA LYS 24 HA LYS 24 -5.445 8.886 -17.204 183 HB2 LYS 24 1HB LYS 24 -5.489 11.784 -18.116 184 HB3 LYS 24 2HB LYS 24 -6.840 11.030 -17.280 185 HG2 LYS 24 1HG LYS 24 -5.595 10.745 -15.284 186 HG3 LYS 24 2HG LYS 24 -4.058 11.060 -16.102 187 HD2 LYS 24 1HD LYS 24 -4.624 13.044 -14.880 188 HD3 LYS 24 2HD LYS 24 -4.896 13.397 -16.593 189 HE2 LYS 24 1HE LYS 24 -7.296 13.034 -16.331 190 HE3 LYS 24 2HE LYS 24 -7.072 12.536 -14.652 191 HZ1 LYS 24 1HZ LYS 24 -7.781 14.807 -14.810 192 HZ2 LYS 24 2HZ LYS 24 -6.264 14.742 -14.166 193 HZ3 LYS 24 3HZ LYS 24 -6.474 15.208 -15.733 194 H SER 25 H SER 25 -5.194 10.295 -20.438 195 HA SER 25 HA SER 25 -7.806 9.467 -21.314 196 HB2 SER 25 1HB SER 25 -5.248 10.013 -22.853 197 HB3 SER 25 2HB SER 25 -6.813 9.736 -23.601 198 HG SER 25 HG SER 25 -6.022 11.803 -21.879 199 H ALA 26 H ALA 26 -4.602 7.936 -21.340 200 HA ALA 26 HA ALA 26 -5.273 5.657 -22.877 201 HB1 ALA 26 1HB ALA 26 -3.364 4.570 -21.741 202 HB2 ALA 26 2HB ALA 26 -2.965 6.224 -22.265 203 HB3 ALA 26 3HB ALA 26 -3.326 5.894 -20.555 204 H CYS 27 H CYS 27 -5.674 6.312 -19.411 205 HA CYS 27 HA CYS 27 -7.247 3.782 -19.218 206 HB2 CYS 27 1HB CYS 27 -5.992 5.503 -17.046 207 HB3 CYS 27 2HB CYS 27 -7.019 4.111 -16.738 208 HG CYS 27 HG CYS 27 -5.540 2.352 -17.829 209 H LYS 28 H LYS 28 -8.319 6.085 -20.515 210 HA LYS 28 HA LYS 28 -9.903 7.705 -18.794 211 HB2 LYS 28 1HB LYS 28 -9.472 8.207 -21.193 212 HB3 LYS 28 2HB LYS 28 -10.475 6.840 -21.657 213 HG2 LYS 28 1HG LYS 28 -12.445 7.905 -20.687 214 HG3 LYS 28 2HG LYS 28 -11.457 9.250 -20.101 215 HD2 LYS 28 1HD LYS 28 -10.851 9.830 -22.423 216 HD3 LYS 28 2HD LYS 28 -11.816 8.472 -23.019 217 HE2 LYS 28 1HE LYS 28 -13.848 9.483 -22.034 218 HE3 LYS 28 2HE LYS 28 -12.887 10.839 -21.438 219 HZ1 LYS 28 1HZ LYS 28 -13.979 11.366 -23.492 220 HZ2 LYS 28 2HZ LYS 28 -12.344 11.377 -23.712 221 HZ3 LYS 28 3HZ LYS 28 -13.242 10.111 -24.269 222 H GLU 29 H GLU 29 -10.430 4.491 -20.138 223 HA GLU 29 HA GLU 29 -13.249 4.430 -19.430 224 HB2 GLU 29 1HB GLU 29 -11.297 2.239 -20.241 225 HB3 GLU 29 2HB GLU 29 -13.012 1.969 -19.965 226 HG2 GLU 29 1HG GLU 29 -13.563 3.529 -21.778 227 HG3 GLU 29 2HG GLU 29 -11.847 3.831 -22.047 228 H ASP 30 H ASP 30 -10.330 4.022 -17.712 229 HA ASP 30 HA ASP 30 -11.598 2.269 -15.681 230 HB2 ASP 30 1HB ASP 30 -8.733 3.263 -15.969 231 HB3 ASP 30 2HB ASP 30 -9.301 2.205 -14.684 232 H ILE 31 H ILE 31 -10.528 5.558 -16.215 233 HA ILE 31 HA ILE 31 -10.824 6.173 -13.326 234 HB ILE 31 HB ILE 31 -9.724 7.855 -15.619 235 HG12 ILE 31 1HG1 ILE 31 -8.242 6.579 -13.315 236 HG13 ILE 31 2HG1 ILE 31 -8.386 5.843 -14.903 237 HG21 ILE 31 1HG2 ILE 31 -8.986 9.392 -13.843 238 HG22 ILE 31 2HG2 ILE 31 -10.759 9.239 -13.861 239 HG23 ILE 31 3HG2 ILE 31 -9.805 8.385 -12.626 240 HD11 ILE 31 1HD1 ILE 31 -6.268 7.012 -14.667 241 HD12 ILE 31 2HD1 ILE 31 -7.272 7.784 -15.918 242 HD13 ILE 31 3HD1 ILE 31 -7.125 8.529 -14.308 243 HA PRO 32 HA PRO 32 -14.950 7.601 -14.189 244 HB2 PRO 32 1HB PRO 32 -14.487 8.657 -11.381 245 HB3 PRO 32 2HB PRO 32 -15.883 7.785 -12.026 246 HG2 PRO 32 1HG PRO 32 -14.150 6.451 -10.506 247 HG3 PRO 32 2HG PRO 32 -14.777 5.679 -11.965 248 HD2 PRO 32 1HD PRO 32 -12.105 7.078 -11.533 249 HD3 PRO 32 2HD PRO 32 -12.448 5.517 -12.381 250 H SER 33 H SER 33 -15.843 9.650 -14.603 251 HA SER 33 HA SER 33 -14.011 11.685 -15.366 252 HB2 SER 33 1HB SER 33 -15.965 13.019 -15.859 253 HB3 SER 33 2HB SER 33 -16.275 11.358 -16.339 254 HG SER 33 HG SER 33 -17.583 12.883 -14.633 255 H GLU 34 H GLU 34 -15.821 11.148 -12.396 256 HA GLU 34 HA GLU 34 -15.273 13.730 -11.236 257 HB2 GLU 34 1HB GLU 34 -15.948 11.036 -9.995 258 HB3 GLU 34 2HB GLU 34 -15.780 12.517 -9.063 259 HG2 GLU 34 1HG GLU 34 -17.623 13.537 -10.310 260 HG3 GLU 34 2HG GLU 34 -17.774 12.085 -11.298 261 H LYS 35 H LYS 35 -13.503 10.702 -11.455 262 HA LYS 35 HA LYS 35 -11.518 11.547 -9.468 263 HB2 LYS 35 1HB LYS 35 -11.636 9.154 -11.345 264 HB3 LYS 35 2HB LYS 35 -10.355 9.425 -10.172 265 HG2 LYS 35 1HG LYS 35 -13.293 9.024 -9.531 266 HG3 LYS 35 2HG LYS 35 -12.001 7.831 -9.338 267 HD2 LYS 35 1HD LYS 35 -10.893 9.243 -7.675 268 HD3 LYS 35 2HD LYS 35 -12.093 10.520 -7.922 269 HE2 LYS 35 1HE LYS 35 -13.875 8.953 -7.154 270 HE3 LYS 35 2HE LYS 35 -12.640 7.732 -6.840 271 HZ1 LYS 35 1HZ LYS 35 -13.216 8.933 -4.862 272 HZ2 LYS 35 2HZ LYS 35 -11.642 9.231 -5.255 273 HZ3 LYS 35 3HZ LYS 35 -12.797 10.373 -5.547 274 H SER 36 H SER 36 -11.971 11.724 -12.911 275 HA SER 36 HA SER 36 -9.240 12.284 -13.613 276 HB2 SER 36 1HB SER 36 -10.105 13.022 -15.697 277 HB3 SER 36 2HB SER 36 -11.137 11.695 -15.188 278 HG SER 36 HG SER 36 -12.463 13.402 -14.227 279 H GLU 37 H GLU 37 -11.704 14.111 -12.009 280 HA GLU 37 HA GLU 37 -10.310 16.668 -12.406 281 HB2 GLU 37 1HB GLU 37 -12.652 15.865 -10.634 282 HB3 GLU 37 2HB GLU 37 -12.006 17.498 -10.730 283 HG2 GLU 37 1HG GLU 37 -12.552 17.569 -13.134 284 HG3 GLU 37 2HG GLU 37 -13.216 15.941 -13.024 285 H GLU 38 H GLU 38 -10.387 14.037 -10.113 286 HA GLU 38 HA GLU 38 -9.080 15.521 -7.979 287 HB2 GLU 38 1HB GLU 38 -9.514 12.546 -8.452 288 HB3 GLU 38 2HB GLU 38 -8.731 13.196 -7.017 289 HG2 GLU 38 1HG GLU 38 -10.801 14.493 -6.526 290 HG3 GLU 38 2HG GLU 38 -11.574 13.722 -7.909 291 H ILE 39 H ILE 39 -8.055 13.374 -10.603 292 HA ILE 39 HA ILE 39 -5.302 13.252 -9.680 293 HB ILE 39 HB ILE 39 -6.578 12.508 -12.346 294 HG12 ILE 39 1HG1 ILE 39 -5.606 10.728 -10.102 295 HG13 ILE 39 2HG1 ILE 39 -7.279 11.226 -10.303 296 HG21 ILE 39 1HG2 ILE 39 -4.477 11.306 -12.792 297 HG22 ILE 39 2HG2 ILE 39 -4.190 13.054 -12.623 298 HG23 ILE 39 3HG2 ILE 39 -3.782 11.952 -11.287 299 HD11 ILE 39 1HD1 ILE 39 -6.907 9.008 -11.224 300 HD12 ILE 39 2HD1 ILE 39 -7.345 10.154 -12.513 301 HD13 ILE 39 3HD1 ILE 39 -5.651 9.650 -12.308 302 H THR 40 H THR 40 -4.169 15.075 -9.584 303 HA THR 40 HA THR 40 -4.206 16.830 -12.005 304 HB THR 40 HB THR 40 -3.571 18.705 -10.519 305 HG1 THR 40 HG1 THR 40 -3.927 16.790 -8.426 306 HG21 THR 40 1HG2 THR 40 -5.716 18.932 -9.327 307 HG22 THR 40 2HG2 THR 40 -5.964 18.282 -10.964 308 HG23 THR 40 3HG2 THR 40 -6.032 17.198 -9.556 309 H THR 41 H THR 41 -2.376 14.717 -10.090 310 HA THR 41 HA THR 41 0.093 15.668 -11.475 311 HB THR 41 HB THR 41 1.446 15.031 -9.553 312 HG1 THR 41 HG1 THR 41 0.661 13.742 -8.072 313 HG21 THR 41 1HG2 THR 41 0.653 16.668 -7.891 314 HG22 THR 41 2HG2 THR 41 0.491 17.310 -9.544 315 HG23 THR 41 3HG2 THR 41 -0.941 16.703 -8.680 316 H GLY 42 H GLY 42 1.756 13.968 -11.717 317 HA2 GLY 42 1HA GLY 42 0.710 11.557 -12.851 318 HA3 GLY 42 2HA GLY 42 2.396 11.873 -12.484 319 H SER 43 H SER 43 2.081 12.355 -9.667 320 HA SER 43 HA SER 43 2.142 9.676 -8.656 321 HB2 SER 43 1HB SER 43 2.366 10.705 -6.477 322 HB3 SER 43 2HB SER 43 3.341 11.594 -7.635 323 HG SER 43 HG SER 43 1.352 12.431 -6.109 324 H ALA 44 H ALA 44 -0.372 12.163 -8.774 325 HA ALA 44 HA ALA 44 -2.277 10.730 -7.174 326 HB1 ALA 44 1HB ALA 44 -3.942 12.237 -8.213 327 HB2 ALA 44 2HB ALA 44 -2.509 13.127 -7.648 328 HB3 ALA 44 3HB ALA 44 -2.713 12.777 -9.380 329 H TRP 45 H TRP 45 -1.511 10.731 -10.632 330 HA TRP 45 HA TRP 45 -3.688 9.086 -11.463 331 HB2 TRP 45 1HB TRP 45 -2.188 10.397 -12.991 332 HB3 TRP 45 2HB TRP 45 -0.896 9.252 -12.662 333 HD1 TRP 45 HD1 TRP 45 -4.521 9.178 -14.104 334 HE1 TRP 45 HE1 TRP 45 -4.624 7.366 -15.946 335 HE3 TRP 45 HE3 TRP 45 0.253 7.354 -13.678 336 HZ2 TRP 45 HZ2 TRP 45 -2.889 5.434 -17.056 337 HZ3 TRP 45 HZ3 TRP 45 0.969 5.521 -15.159 338 HH2 TRP 45 HH2 TRP 45 -0.572 4.573 -16.826 339 H PHE 46 H PHE 46 -0.365 8.289 -10.434 340 HA PHE 46 HA PHE 46 -0.750 5.436 -10.714 341 HB2 PHE 46 1HB PHE 46 1.325 7.194 -9.398 342 HB3 PHE 46 2HB PHE 46 1.327 5.463 -9.100 343 HD1 PHE 46 HD1 PHE 46 2.485 8.033 -11.208 344 HD2 PHE 46 HD2 PHE 46 1.238 3.947 -11.248 345 HE1 PHE 46 HE1 PHE 46 3.728 7.675 -13.314 346 HE2 PHE 46 HE2 PHE 46 2.482 3.584 -13.353 347 HZ PHE 46 HZ PHE 46 3.726 5.451 -14.387 348 H SER 47 H SER 47 -1.182 7.775 -8.105 349 HA SER 47 HA SER 47 -1.597 5.917 -5.984 350 HB2 SER 47 1HB SER 47 -2.731 8.688 -6.474 351 HB3 SER 47 2HB SER 47 -2.944 7.797 -4.975 352 HG SER 47 HG SER 47 -0.518 8.554 -6.183 353 H PHE 48 H PHE 48 -3.856 7.350 -8.348 354 HA PHE 48 HA PHE 48 -6.202 6.009 -7.512 355 HB2 PHE 48 1HB PHE 48 -6.241 7.743 -9.235 356 HB3 PHE 48 2HB PHE 48 -5.262 6.755 -10.309 357 HD1 PHE 48 HD1 PHE 48 -8.591 7.405 -9.028 358 HD2 PHE 48 HD2 PHE 48 -6.212 4.701 -11.326 359 HE1 PHE 48 HE1 PHE 48 -10.644 6.419 -9.991 360 HE2 PHE 48 HE2 PHE 48 -8.262 3.715 -12.293 361 HZ PHE 48 HZ PHE 48 -10.479 4.574 -11.624 362 H LEU 49 H LEU 49 -3.649 4.949 -9.779 363 HA LEU 49 HA LEU 49 -4.909 2.486 -10.471 364 HB2 LEU 49 1HB LEU 49 -1.984 3.303 -10.494 365 HB3 LEU 49 2HB LEU 49 -2.603 1.814 -11.212 366 HG LEU 49 HG LEU 49 -3.419 4.611 -12.075 367 HD11 LEU 49 1HD1 LEU 49 -1.996 4.182 -14.028 368 HD12 LEU 49 2HD1 LEU 49 -1.055 4.186 -12.518 369 HD13 LEU 49 3HD1 LEU 49 -1.468 2.644 -13.305 370 HD21 LEU 49 1HD2 LEU 49 -4.383 3.404 -14.004 371 HD22 LEU 49 2HD2 LEU 49 -3.888 1.854 -13.281 372 HD23 LEU 49 3HD2 LEU 49 -5.117 2.860 -12.475 373 H GLU 50 H GLU 50 -2.721 3.397 -7.852 374 HA GLU 50 HA GLU 50 -2.349 0.658 -6.941 375 HB2 GLU 50 1HB GLU 50 -1.753 3.373 -5.711 376 HB3 GLU 50 2HB GLU 50 -1.452 1.865 -4.857 377 HG2 GLU 50 1HG GLU 50 -0.260 2.541 -7.553 378 HG3 GLU 50 2HG GLU 50 0.529 2.861 -6.010 379 H SER 51 H SER 51 -4.457 3.379 -6.080 380 HA SER 51 HA SER 51 -5.431 2.169 -3.654 381 HB2 SER 51 1HB SER 51 -6.563 4.382 -5.397 382 HB3 SER 51 2HB SER 51 -7.201 3.937 -3.823 383 HG SER 51 HG SER 51 -4.702 5.000 -4.493 384 H HIS 52 H HIS 52 -6.514 2.182 -7.021 385 HA HIS 52 HA HIS 52 -8.949 0.643 -6.230 386 HB2 HIS 52 1HB HIS 52 -8.256 2.109 -8.801 387 HB3 HIS 52 2HB HIS 52 -9.715 1.160 -8.556 388 HD1 HIS 52 HD1 HIS 52 -11.477 2.090 -6.813 389 HD2 HIS 52 HD2 HIS 52 -8.316 4.763 -7.606 390 HE1 HIS 52 HE1 HIS 52 -12.236 4.280 -6.043 391 H ASN 53 H ASN 53 -5.901 -0.090 -6.893 392 HA ASN 53 HA ASN 53 -4.853 -1.967 -7.724 393 HB2 ASN 53 1HB ASN 53 -7.616 -3.135 -7.255 394 HB3 ASN 53 2HB ASN 53 -6.173 -4.084 -7.583 395 HD21 ASN 53 1HD2 ASN 53 -6.996 -3.395 -3.867 396 HD22 ASN 53 2HD2 ASN 53 -8.082 -3.584 -5.203 397 H LYS 54 H LYS 54 -5.395 -0.284 -9.715 398 HA LYS 54 HA LYS 54 -6.754 -1.858 -11.840 399 HB2 LYS 54 1HB LYS 54 -5.827 1.043 -11.784 400 HB3 LYS 54 2HB LYS 54 -6.618 0.268 -13.149 401 HG2 LYS 54 1HG LYS 54 -7.843 0.654 -10.401 402 HG3 LYS 54 2HG LYS 54 -8.171 1.640 -11.833 403 HD2 LYS 54 1HD LYS 54 -8.995 -0.402 -13.011 404 HD3 LYS 54 2HD LYS 54 -8.740 -1.331 -11.527 405 HE2 LYS 54 1HE LYS 54 -10.321 0.176 -10.335 406 HE3 LYS 54 2HE LYS 54 -10.605 1.049 -11.844 407 HZ1 LYS 54 1HZ LYS 54 -12.293 -0.586 -11.440 408 HZ2 LYS 54 2HZ LYS 54 -11.444 -0.986 -12.797 409 HZ3 LYS 54 3HZ LYS 54 -11.180 -1.802 -11.387 410 H LEU 55 H LEU 55 -3.634 -0.562 -10.881 411 HA LEU 55 HA LEU 55 -2.437 -1.662 -13.374 412 HB2 LEU 55 1HB LEU 55 -1.841 0.654 -12.799 413 HB3 LEU 55 2HB LEU 55 -1.261 0.127 -11.216 414 HG LEU 55 HG LEU 55 0.494 -1.245 -12.396 415 HD11 LEU 55 1HD1 LEU 55 0.939 -0.728 -14.754 416 HD12 LEU 55 2HD1 LEU 55 -0.658 -1.480 -14.537 417 HD13 LEU 55 3HD1 LEU 55 -0.532 0.273 -14.812 418 HD21 LEU 55 1HD2 LEU 55 1.887 0.724 -12.939 419 HD22 LEU 55 2HD2 LEU 55 0.430 1.747 -12.972 420 HD23 LEU 55 3HD2 LEU 55 0.953 0.991 -11.447 421 H ASP 56 H ASP 56 -1.432 -3.540 -13.373 422 HA ASP 56 HA ASP 56 -1.123 -5.073 -10.941 423 HB2 ASP 56 1HB ASP 56 -0.180 -5.522 -13.796 424 HB3 ASP 56 2HB ASP 56 0.121 -6.670 -12.498 425 H LYS 57 H LYS 57 0.826 -5.917 -10.061 426 HA LYS 57 HA LYS 57 2.937 -3.929 -9.882 427 HB2 LYS 57 1HB LYS 57 2.740 -6.760 -8.778 428 HB3 LYS 57 2HB LYS 57 4.029 -5.628 -8.394 429 HG2 LYS 57 1HG LYS 57 1.094 -5.138 -7.810 430 HG3 LYS 57 2HG LYS 57 2.266 -5.778 -6.650 431 HD2 LYS 57 1HD LYS 57 3.626 -3.721 -6.896 432 HD3 LYS 57 2HD LYS 57 2.441 -3.080 -8.043 433 HE2 LYS 57 1HE LYS 57 0.698 -3.168 -6.291 434 HE3 LYS 57 2HE LYS 57 1.876 -3.813 -5.146 435 HZ1 LYS 57 1HZ LYS 57 1.594 -1.457 -4.891 436 HZ2 LYS 57 2HZ LYS 57 3.133 -1.783 -5.388 437 HZ3 LYS 57 3HZ LYS 57 2.031 -1.181 -6.457 438 H ASP 58 H ASP 58 2.316 -6.669 -11.877 439 HA ASP 58 HA ASP 58 5.135 -6.896 -12.710 440 HB2 ASP 58 1HB ASP 58 2.592 -8.271 -13.660 441 HB3 ASP 58 2HB ASP 58 4.176 -8.560 -14.365 442 H ASN 59 H ASN 59 2.194 -5.299 -13.673 443 HA ASN 59 HA ASN 59 3.141 -4.690 -16.369 444 HB2 ASN 59 1HB ASN 59 0.726 -4.886 -15.817 445 HB3 ASN 59 2HB ASN 59 0.860 -3.479 -14.771 446 HD21 ASN 59 1HD2 ASN 59 -0.387 -2.539 -18.178 447 HD22 ASN 59 2HD2 ASN 59 -0.854 -3.740 -17.019 448 H LEU 60 H LEU 60 5.043 -3.641 -16.340 449 HA LEU 60 HA LEU 60 5.135 -1.080 -14.811 450 HB2 LEU 60 1HB LEU 60 7.406 -2.719 -15.992 451 HB3 LEU 60 2HB LEU 60 7.584 -1.227 -15.064 452 HG LEU 60 HG LEU 60 6.444 -3.825 -13.974 453 HD11 LEU 60 1HD1 LEU 60 8.583 -3.990 -12.782 454 HD12 LEU 60 2HD1 LEU 60 8.810 -4.030 -14.546 455 HD13 LEU 60 3HD1 LEU 60 9.170 -2.543 -13.636 456 HD21 LEU 60 1HD2 LEU 60 6.685 -2.672 -11.802 457 HD22 LEU 60 2HD2 LEU 60 7.245 -1.206 -12.641 458 HD23 LEU 60 3HD2 LEU 60 5.579 -1.784 -12.878 459 H SER 61 H SER 61 3.780 -1.524 -17.410 460 HA SER 61 HA SER 61 5.516 -0.646 -19.533 461 HB2 SER 61 1HB SER 61 3.502 -0.533 -20.868 462 HB3 SER 61 2HB SER 61 3.452 -1.983 -19.877 463 HG SER 61 HG SER 61 2.019 -1.073 -18.564 464 H TYR 62 H TYR 62 3.842 0.998 -17.026 465 HA TYR 62 HA TYR 62 4.019 3.578 -18.502 466 HB2 TYR 62 1HB TYR 62 2.650 2.903 -15.865 467 HB3 TYR 62 2HB TYR 62 2.643 4.482 -16.636 468 HD1 TYR 62 HD1 TYR 62 0.860 1.500 -16.216 469 HD2 TYR 62 HD2 TYR 62 1.805 4.467 -19.167 470 HE1 TYR 62 HE1 TYR 62 -1.155 0.866 -17.499 471 HE2 TYR 62 HE2 TYR 62 -0.211 3.833 -20.450 472 HH TYR 62 HH TYR 62 -2.380 1.253 -19.310 473 H ILE 63 H ILE 63 5.121 1.923 -15.566 474 HA ILE 63 HA ILE 63 6.419 4.235 -14.451 475 HB ILE 63 HB ILE 63 6.739 1.255 -13.921 476 HG12 ILE 63 1HG1 ILE 63 5.471 3.414 -12.226 477 HG13 ILE 63 2HG1 ILE 63 4.572 2.406 -13.349 478 HG21 ILE 63 1HG2 ILE 63 8.003 1.907 -11.911 479 HG22 ILE 63 2HG2 ILE 63 8.846 2.421 -13.390 480 HG23 ILE 63 3HG2 ILE 63 7.944 3.611 -12.423 481 HD11 ILE 63 1HD1 ILE 63 4.410 1.550 -11.079 482 HD12 ILE 63 2HD1 ILE 63 5.273 0.394 -12.125 483 HD13 ILE 63 3HD1 ILE 63 6.182 1.416 -10.985 484 H GLU 64 H GLU 64 7.679 1.369 -16.187 485 HA GLU 64 HA GLU 64 10.391 2.327 -16.219 486 HB2 GLU 64 1HB GLU 64 8.921 0.236 -17.863 487 HB3 GLU 64 2HB GLU 64 10.631 0.578 -18.075 488 HG2 GLU 64 1HG GLU 64 11.060 -0.040 -15.740 489 HG3 GLU 64 2HG GLU 64 9.342 -0.354 -15.502 490 H HIS 65 H HIS 65 7.622 2.762 -18.338 491 HA HIS 65 HA HIS 65 8.983 3.745 -20.642 492 HB2 HIS 65 1HB HIS 65 6.605 3.154 -20.682 493 HB3 HIS 65 2HB HIS 65 6.235 4.445 -19.550 494 HD1 HIS 65 HD1 HIS 65 7.611 3.992 -23.078 495 HD2 HIS 65 HD2 HIS 65 5.574 6.910 -20.819 496 HE1 HIS 65 HE1 HIS 65 7.134 5.826 -24.620 497 H ILE 66 H ILE 66 7.629 5.502 -17.838 498 HA ILE 66 HA ILE 66 8.427 8.083 -18.783 499 HB ILE 66 HB ILE 66 7.792 7.077 -15.979 500 HG12 ILE 66 1HG1 ILE 66 5.923 6.925 -17.511 501 HG13 ILE 66 2HG1 ILE 66 5.653 8.201 -16.334 502 HG21 ILE 66 1HG2 ILE 66 7.569 9.452 -15.370 503 HG22 ILE 66 2HG2 ILE 66 9.233 9.075 -15.872 504 HG23 ILE 66 3HG2 ILE 66 8.140 9.925 -16.988 505 HD11 ILE 66 1HD1 ILE 66 4.940 8.890 -18.553 506 HD12 ILE 66 2HD1 ILE 66 6.304 9.889 -17.996 507 HD13 ILE 66 3HD1 ILE 66 6.575 8.597 -19.188 508 H PHE 67 H PHE 67 9.992 5.691 -16.681 509 HA PHE 67 HA PHE 67 12.226 7.412 -16.025 510 HB2 PHE 67 1HB PHE 67 11.667 4.452 -15.735 511 HB3 PHE 67 2HB PHE 67 13.262 5.101 -15.389 512 HD1 PHE 67 HD1 PHE 67 11.432 3.702 -13.430 513 HD2 PHE 67 HD2 PHE 67 11.970 7.833 -14.376 514 HE1 PHE 67 HE1 PHE 67 10.684 4.318 -11.156 515 HE2 PHE 67 HE2 PHE 67 11.225 8.453 -12.101 516 HZ PHE 67 HZ PHE 67 10.581 6.694 -10.492 517 H GLU 68 H GLU 68 11.488 5.141 -18.600 518 HA GLU 68 HA GLU 68 14.142 5.034 -19.707 519 HB2 GLU 68 1HB GLU 68 12.368 3.417 -20.311 520 HB3 GLU 68 2HB GLU 68 11.431 4.704 -21.055 521 HG2 GLU 68 1HG GLU 68 12.543 3.436 -22.760 522 HG3 GLU 68 2HG GLU 68 13.233 5.057 -22.702 523 H ILE 69 H ILE 69 11.361 7.195 -20.197 524 HA ILE 69 HA ILE 69 12.545 8.843 -22.193 525 HB ILE 69 HB ILE 69 10.495 9.441 -20.027 526 HG12 ILE 69 1HG1 ILE 69 10.142 9.150 -23.014 527 HG13 ILE 69 2HG1 ILE 69 9.959 7.817 -21.885 528 HG21 ILE 69 1HG2 ILE 69 10.018 11.519 -21.259 529 HG22 ILE 69 2HG2 ILE 69 11.679 11.519 -20.624 530 HG23 ILE 69 3HG2 ILE 69 11.386 11.192 -22.348 531 HD11 ILE 69 1HD1 ILE 69 7.803 8.788 -22.451 532 HD12 ILE 69 2HD1 ILE 69 8.164 9.028 -20.724 533 HD13 ILE 69 3HD1 ILE 69 8.347 10.379 -21.869 534 H SER 70 H SER 70 12.625 9.037 -18.632 535 HA SER 70 HA SER 70 14.339 11.368 -18.606 536 HB2 SER 70 1HB SER 70 14.484 11.007 -16.243 537 HB3 SER 70 2HB SER 70 12.833 10.652 -16.730 538 HG SER 70 HG SER 70 14.231 8.453 -17.000 539 H ARG 71 H ARG 71 14.859 8.006 -19.115 540 HA ARG 71 HA ARG 71 16.778 6.816 -19.556 541 HB2 ARG 71 1HB ARG 71 18.050 9.570 -19.716 542 HB3 ARG 71 2HB ARG 71 18.804 8.074 -20.245 543 HG2 ARG 71 1HG ARG 71 17.000 7.781 -21.921 544 HG3 ARG 71 2HG ARG 71 16.317 9.345 -21.413 545 HD2 ARG 71 1HD ARG 71 18.391 10.447 -22.021 546 HD3 ARG 71 2HD ARG 71 19.076 8.885 -22.526 547 HE ARG 71 HE ARG 71 16.664 9.230 -23.911 548 HH11 ARG 71 1HH1 ARG 71 19.820 10.757 -23.698 549 HH12 ARG 71 2HH1 ARG 71 19.794 11.328 -25.351 550 HH21 ARG 71 1HH2 ARG 71 16.642 9.976 -26.056 551 HH22 ARG 71 2HH2 ARG 71 17.995 10.886 -26.687 552 H ARG 72 H ARG 72 16.201 6.587 -17.042 553 HA ARG 72 HA ARG 72 18.815 6.970 -15.647 554 HB2 ARG 72 1HB ARG 72 16.028 7.197 -14.464 555 HB3 ARG 72 2HB ARG 72 17.507 7.145 -13.516 556 HG2 ARG 72 1HG ARG 72 16.920 9.266 -15.594 557 HG3 ARG 72 2HG ARG 72 16.566 9.425 -13.856 558 HD2 ARG 72 1HD ARG 72 18.928 9.085 -13.361 559 HD3 ARG 72 2HD ARG 72 19.267 8.976 -15.104 560 HE ARG 72 HE ARG 72 18.604 11.376 -13.561 561 HH11 ARG 72 1HH1 ARG 72 19.079 9.909 -16.717 562 HH12 ARG 72 2HH1 ARG 72 19.338 11.437 -17.527 563 HH21 ARG 72 1HH2 ARG 72 18.941 13.353 -14.624 564 HH22 ARG 72 2HH2 ARG 72 19.261 13.388 -16.344 565 HA PRO 73 HA PRO 73 18.013 2.484 -15.951 566 HB2 PRO 73 1HB PRO 73 20.978 2.675 -15.308 567 HB3 PRO 73 2HB PRO 73 20.154 1.596 -16.442 568 HG2 PRO 73 1HG PRO 73 21.445 3.704 -17.425 569 HG3 PRO 73 2HG PRO 73 19.849 3.307 -18.070 570 HD2 PRO 73 1HD PRO 73 20.617 5.427 -16.023 571 HD3 PRO 73 2HD PRO 73 19.467 5.550 -17.415 572 H ASP 74 H ASP 74 19.766 4.488 -13.604 573 HA ASP 74 HA ASP 74 19.919 2.621 -11.469 574 HB2 ASP 74 1HB ASP 74 19.727 5.654 -11.497 575 HB3 ASP 74 2HB ASP 74 19.946 4.729 -10.018 576 H LEU 75 H LEU 75 17.379 4.962 -12.353 577 HA LEU 75 HA LEU 75 15.685 4.263 -10.114 578 HB2 LEU 75 1HB LEU 75 15.117 5.682 -12.739 579 HB3 LEU 75 2HB LEU 75 13.934 5.498 -11.441 580 HG LEU 75 HG LEU 75 16.567 7.002 -11.225 581 HD11 LEU 75 1HD1 LEU 75 15.134 8.995 -11.179 582 HD12 LEU 75 2HD1 LEU 75 14.967 8.099 -12.708 583 HD13 LEU 75 3HD1 LEU 75 13.705 7.974 -11.459 584 HD21 LEU 75 1HD2 LEU 75 15.640 7.750 -9.060 585 HD22 LEU 75 2HD2 LEU 75 14.216 6.711 -9.309 586 HD23 LEU 75 3HD2 LEU 75 15.825 5.980 -9.099 587 H LEU 76 H LEU 76 15.948 3.217 -13.489 588 HA LEU 76 HA LEU 76 13.631 1.556 -13.534 589 HB2 LEU 76 1HB LEU 76 16.280 1.391 -15.006 590 HB3 LEU 76 2HB LEU 76 14.924 0.307 -15.332 591 HG LEU 76 HG LEU 76 14.810 3.328 -15.630 592 HD11 LEU 76 1HD1 LEU 76 14.940 2.879 -18.040 593 HD12 LEU 76 2HD1 LEU 76 16.410 2.343 -17.191 594 HD13 LEU 76 3HD1 LEU 76 15.192 1.151 -17.705 595 HD21 LEU 76 1HD2 LEU 76 12.728 2.815 -16.857 596 HD22 LEU 76 2HD2 LEU 76 12.946 1.083 -16.506 597 HD23 LEU 76 3HD2 LEU 76 12.643 2.230 -15.178 598 H THR 77 H THR 77 16.961 0.977 -12.452 599 HA THR 77 HA THR 77 16.665 -1.810 -11.916 600 HB THR 77 HB THR 77 18.461 0.248 -10.561 601 HG1 THR 77 HG1 THR 77 18.942 0.081 -12.740 602 HG21 THR 77 1HG2 THR 77 19.820 -1.701 -9.910 603 HG22 THR 77 2HG2 THR 77 18.189 -1.800 -9.205 604 HG23 THR 77 3HG2 THR 77 18.608 -2.790 -10.622 605 H MET 78 H MET 78 16.087 1.070 -9.903 606 HA MET 78 HA MET 78 15.387 -0.315 -7.521 607 HB2 MET 78 1HB MET 78 14.521 2.381 -8.623 608 HB3 MET 78 2HB MET 78 14.068 1.812 -7.023 609 HG2 MET 78 1HG MET 78 16.392 1.743 -6.330 610 HG3 MET 78 2HG MET 78 16.931 2.140 -7.963 611 HE1 MET 78 1HE MET 78 14.700 5.038 -5.133 612 HE2 MET 78 2HE MET 78 13.920 3.594 -5.824 613 HE3 MET 78 3HE MET 78 15.267 3.415 -4.673 614 H VAL 79 H VAL 79 13.439 0.646 -10.331 615 HA VAL 79 HA VAL 79 10.916 -0.163 -9.297 616 HB VAL 79 HB VAL 79 11.978 -0.071 -12.150 617 HG11 VAL 79 1HG1 VAL 79 9.643 -0.158 -12.874 618 HG12 VAL 79 2HG1 VAL 79 10.137 -1.648 -12.036 619 HG13 VAL 79 3HG1 VAL 79 9.133 -0.443 -11.193 620 HG21 VAL 79 1HG2 VAL 79 10.656 2.018 -12.246 621 HG22 VAL 79 2HG2 VAL 79 10.186 1.796 -10.544 622 HG23 VAL 79 3HG2 VAL 79 11.889 2.095 -10.965 623 H VAL 80 H VAL 80 13.342 -1.942 -11.228 624 HA VAL 80 HA VAL 80 11.897 -4.391 -11.373 625 HB VAL 80 HB VAL 80 14.887 -3.815 -11.419 626 HG11 VAL 80 1HG1 VAL 80 15.161 -6.053 -12.372 627 HG12 VAL 80 2HG1 VAL 80 14.528 -6.109 -10.709 628 HG13 VAL 80 3HG1 VAL 80 13.436 -6.384 -12.087 629 HG21 VAL 80 1HG2 VAL 80 14.598 -4.146 -13.854 630 HG22 VAL 80 2HG2 VAL 80 12.856 -4.412 -13.610 631 HG23 VAL 80 3HG2 VAL 80 13.570 -2.820 -13.258 632 H ASP 81 H ASP 81 14.267 -3.168 -9.006 633 HA ASP 81 HA ASP 81 14.411 -5.493 -7.389 634 HB2 ASP 81 1HB ASP 81 15.908 -3.486 -7.201 635 HB3 ASP 81 2HB ASP 81 14.576 -2.590 -6.483 636 H TYR 82 H TYR 82 12.216 -2.682 -7.206 637 HA TYR 82 HA TYR 82 10.755 -3.518 -4.931 638 HB2 TYR 82 1HB TYR 82 10.503 -1.273 -5.833 639 HB3 TYR 82 2HB TYR 82 9.893 -1.900 -7.358 640 HD1 TYR 82 HD1 TYR 82 9.130 -1.733 -3.711 641 HD2 TYR 82 HD2 TYR 82 7.607 -2.235 -7.690 642 HE1 TYR 82 HE1 TYR 82 6.820 -1.592 -2.845 643 HE2 TYR 82 HE2 TYR 82 5.297 -2.094 -6.824 644 HH TYR 82 HH TYR 82 4.658 -1.640 -3.354 645 H ARG 83 H ARG 83 10.015 -4.066 -8.390 646 HA ARG 83 HA ARG 83 7.709 -5.629 -8.028 647 HB2 ARG 83 1HB ARG 83 8.463 -4.813 -10.220 648 HB3 ARG 83 2HB ARG 83 9.856 -5.884 -10.164 649 HG2 ARG 83 1HG ARG 83 8.347 -7.839 -10.192 650 HG3 ARG 83 2HG ARG 83 6.952 -6.737 -10.296 651 HD2 ARG 83 1HD ARG 83 7.754 -5.870 -12.388 652 HD3 ARG 83 2HD ARG 83 9.218 -6.873 -12.271 653 HE ARG 83 HE ARG 83 6.783 -8.418 -12.129 654 HH11 ARG 83 1HH1 ARG 83 9.062 -6.866 -14.306 655 HH12 ARG 83 2HH1 ARG 83 8.687 -7.920 -15.651 656 HH21 ARG 83 1HH2 ARG 83 6.305 -9.779 -13.883 657 HH22 ARG 83 2HH2 ARG 83 7.126 -9.569 -15.413 658 H THR 84 H THR 84 11.128 -6.651 -8.158 659 HA THR 84 HA THR 84 10.662 -9.441 -7.969 660 HB THR 84 HB THR 84 13.028 -7.814 -6.944 661 HG1 THR 84 HG1 THR 84 12.821 -7.581 -9.153 662 HG21 THR 84 1HG2 THR 84 14.265 -9.940 -7.091 663 HG22 THR 84 2HG2 THR 84 12.926 -10.064 -5.927 664 HG23 THR 84 3HG2 THR 84 12.767 -10.785 -7.544 665 H ARG 85 H ARG 85 11.129 -6.992 -5.423 666 HA ARG 85 HA ARG 85 11.056 -8.816 -3.231 667 HB2 ARG 85 1HB ARG 85 10.363 -5.872 -3.441 668 HB3 ARG 85 2HB ARG 85 10.350 -6.750 -1.920 669 HG2 ARG 85 1HG ARG 85 12.729 -7.226 -2.129 670 HG3 ARG 85 2HG ARG 85 12.765 -6.431 -3.721 671 HD2 ARG 85 1HD ARG 85 12.014 -4.349 -2.637 672 HD3 ARG 85 2HD ARG 85 12.147 -5.166 -1.063 673 HE ARG 85 HE ARG 85 14.318 -4.234 -2.775 674 HH11 ARG 85 1HH1 ARG 85 13.373 -6.239 -0.049 675 HH12 ARG 85 2HH1 ARG 85 14.980 -6.277 0.641 676 HH21 ARG 85 1HH2 ARG 85 16.401 -4.292 -1.869 677 HH22 ARG 85 2HH2 ARG 85 16.694 -5.176 -0.388 678 H VAL 86 H VAL 86 8.499 -7.010 -4.923 679 HA VAL 86 HA VAL 86 6.338 -7.819 -3.255 680 HB VAL 86 HB VAL 86 6.442 -7.105 -6.214 681 HG11 VAL 86 1HG1 VAL 86 4.015 -6.820 -6.092 682 HG12 VAL 86 2HG1 VAL 86 4.503 -8.507 -5.807 683 HG13 VAL 86 3HG1 VAL 86 4.022 -7.476 -4.439 684 HG21 VAL 86 1HG2 VAL 86 5.508 -4.960 -5.408 685 HG22 VAL 86 2HG2 VAL 86 5.568 -5.564 -3.735 686 HG23 VAL 86 3HG2 VAL 86 7.077 -5.306 -4.643 687 H LEU 87 H LEU 87 7.840 -9.327 -6.106 688 HA LEU 87 HA LEU 87 5.988 -11.501 -6.312 689 HB2 LEU 87 1HB LEU 87 8.889 -11.215 -7.162 690 HB3 LEU 87 2HB LEU 87 7.893 -12.619 -7.554 691 HG LEU 87 HG LEU 87 7.263 -9.775 -8.419 692 HD11 LEU 87 1HD1 LEU 87 8.043 -10.505 -10.628 693 HD12 LEU 87 2HD1 LEU 87 9.345 -10.569 -9.417 694 HD13 LEU 87 3HD1 LEU 87 8.539 -12.068 -9.937 695 HD21 LEU 87 1HD2 LEU 87 5.670 -10.917 -9.924 696 HD22 LEU 87 2HD2 LEU 87 6.131 -12.487 -9.223 697 HD23 LEU 87 3HD2 LEU 87 5.305 -11.273 -8.218 698 H LYS 88 H LYS 88 8.930 -11.000 -4.418 699 HA LYS 88 HA LYS 88 9.151 -13.695 -3.458 700 HB2 LYS 88 1HB LYS 88 10.122 -11.032 -2.367 701 HB3 LYS 88 2HB LYS 88 10.455 -12.559 -1.562 702 HG2 LYS 88 1HG LYS 88 11.634 -13.370 -3.571 703 HG3 LYS 88 2HG LYS 88 11.295 -11.835 -4.385 704 HD2 LYS 88 1HD LYS 88 12.580 -10.616 -2.687 705 HD3 LYS 88 2HD LYS 88 12.861 -12.118 -1.793 706 HE2 LYS 88 1HE LYS 88 14.094 -13.041 -3.726 707 HE3 LYS 88 2HE LYS 88 13.809 -11.550 -4.627 708 HZ1 LYS 88 1HZ LYS 88 15.970 -11.571 -3.618 709 HZ2 LYS 88 2HZ LYS 88 15.057 -10.368 -2.953 710 HZ3 LYS 88 3HZ LYS 88 15.325 -11.762 -2.112 711 H ILE 89 H ILE 89 7.356 -10.858 -2.345 712 HA ILE 89 HA ILE 89 6.492 -12.012 0.138 713 HB ILE 89 HB ILE 89 5.299 -9.795 -1.578 714 HG12 ILE 89 1HG1 ILE 89 6.860 -9.611 1.005 715 HG13 ILE 89 2HG1 ILE 89 7.598 -9.483 -0.585 716 HG21 ILE 89 1HG2 ILE 89 3.994 -9.198 0.422 717 HG22 ILE 89 2HG2 ILE 89 3.562 -10.823 -0.162 718 HG23 ILE 89 3HG2 ILE 89 4.613 -10.640 1.262 719 HD11 ILE 89 1HD1 ILE 89 7.170 -7.286 0.364 720 HD12 ILE 89 2HD1 ILE 89 6.185 -7.539 -1.098 721 HD13 ILE 89 3HD1 ILE 89 5.439 -7.668 0.513 722 H SER 90 H SER 90 5.145 -13.610 0.503 723 HA SER 90 HA SER 90 2.699 -13.914 -1.044 724 HB2 SER 90 1HB SER 90 4.270 -15.015 -2.564 725 HB3 SER 90 2HB SER 90 4.876 -16.019 -1.255 726 HG SER 90 HG SER 90 2.379 -16.024 -2.505 Start of MODEL 6 1 H1 MET 1 1H MET 1 -2.638 13.782 -4.717 2 H2 MET 1 2H MET 1 -1.627 14.620 -3.746 3 H3 MET 1 3H MET 1 -2.103 15.256 -5.172 4 HA MET 1 HA MET 1 -0.447 12.891 -4.804 5 HB2 MET 1 1HB MET 1 -1.443 14.280 -7.320 6 HB3 MET 1 2HB MET 1 -0.184 13.054 -7.305 7 HG2 MET 1 1HG MET 1 -1.799 11.427 -6.365 8 HG3 MET 1 2HG MET 1 -3.060 12.660 -6.432 9 HE1 MET 1 1HE MET 1 -3.700 13.168 -10.196 10 HE2 MET 1 2HE MET 1 -4.301 13.418 -8.538 11 HE3 MET 1 3HE MET 1 -2.782 14.187 -9.061 12 H ALA 2 H ALA 2 0.623 14.548 -3.332 13 HA ALA 2 HA ALA 2 1.935 16.800 -4.551 14 HB1 ALA 2 1HB ALA 2 3.210 16.909 -2.434 15 HB2 ALA 2 2HB ALA 2 1.464 16.720 -2.144 16 HB3 ALA 2 3HB ALA 2 2.552 15.324 -1.966 17 H GLU 3 H GLU 3 3.117 13.586 -3.521 18 HA GLU 3 HA GLU 3 5.750 14.042 -4.646 19 HB2 GLU 3 1HB GLU 3 5.338 12.488 -2.745 20 HB3 GLU 3 2HB GLU 3 4.396 11.446 -3.803 21 HG2 GLU 3 1HG GLU 3 6.389 11.038 -5.184 22 HG3 GLU 3 2HG GLU 3 7.335 12.089 -4.133 23 H TYR 4 H TYR 4 2.929 12.073 -5.624 24 HA TYR 4 HA TYR 4 4.128 11.041 -7.996 25 HB2 TYR 4 1HB TYR 4 2.067 10.128 -6.888 26 HB3 TYR 4 2HB TYR 4 1.172 11.533 -7.452 27 HD1 TYR 4 HD1 TYR 4 3.266 8.701 -8.705 28 HD2 TYR 4 HD2 TYR 4 0.118 11.500 -9.517 29 HE1 TYR 4 HE1 TYR 4 2.787 7.544 -10.836 30 HE2 TYR 4 HE2 TYR 4 -0.361 10.343 -11.648 31 HH TYR 4 HH TYR 4 1.480 7.464 -12.632 32 H GLY 5 H GLY 5 2.106 13.918 -7.437 33 HA2 GLY 5 1HA GLY 5 1.928 14.813 -10.122 34 HA3 GLY 5 2HA GLY 5 1.858 15.843 -8.704 35 H THR 6 H THR 6 4.386 15.463 -7.600 36 HA THR 6 HA THR 6 6.074 17.119 -9.178 37 HB THR 6 HB THR 6 6.805 15.213 -6.913 38 HG1 THR 6 HG1 THR 6 5.442 16.767 -6.133 39 HG21 THR 6 1HG2 THR 6 8.815 16.617 -6.678 40 HG22 THR 6 2HG2 THR 6 8.766 15.838 -8.278 41 HG23 THR 6 3HG2 THR 6 8.332 17.556 -8.111 42 H LEU 7 H LEU 7 5.914 13.589 -8.818 43 HA LEU 7 HA LEU 7 8.241 13.041 -10.403 44 HB2 LEU 7 1HB LEU 7 5.788 11.375 -9.749 45 HB3 LEU 7 2HB LEU 7 7.190 10.751 -10.622 46 HG LEU 7 HG LEU 7 7.288 11.868 -7.799 47 HD11 LEU 7 1HD1 LEU 7 7.459 9.519 -7.107 48 HD12 LEU 7 2HD1 LEU 7 5.908 9.856 -7.910 49 HD13 LEU 7 3HD1 LEU 7 7.200 9.004 -8.790 50 HD21 LEU 7 1HD2 LEU 7 9.514 10.792 -7.786 51 HD22 LEU 7 2HD2 LEU 7 9.284 10.294 -9.479 52 HD23 LEU 7 3HD2 LEU 7 9.405 12.021 -9.069 53 H LEU 8 H LEU 8 4.822 13.516 -11.175 54 HA LEU 8 HA LEU 8 4.991 12.799 -13.938 55 HB2 LEU 8 1HB LEU 8 3.173 14.699 -12.426 56 HB3 LEU 8 2HB LEU 8 2.978 14.343 -14.144 57 HG LEU 8 HG LEU 8 2.823 12.283 -11.915 58 HD11 LEU 8 1HD1 LEU 8 0.411 12.316 -12.371 59 HD12 LEU 8 2HD1 LEU 8 0.995 13.897 -11.800 60 HD13 LEU 8 3HD1 LEU 8 0.648 13.647 -13.528 61 HD21 LEU 8 1HD2 LEU 8 1.932 10.841 -13.715 62 HD22 LEU 8 2HD2 LEU 8 2.191 12.151 -14.892 63 HD23 LEU 8 3HD2 LEU 8 3.584 11.388 -14.090 64 H GLN 9 H GLN 9 5.647 15.804 -12.181 65 HA GLN 9 HA GLN 9 6.123 17.413 -14.514 66 HB2 GLN 9 1HB GLN 9 5.718 18.330 -12.222 67 HB3 GLN 9 2HB GLN 9 7.282 17.710 -11.715 68 HG2 GLN 9 1HG GLN 9 7.473 20.050 -12.177 69 HG3 GLN 9 2HG GLN 9 8.371 19.144 -13.428 70 HE21 GLN 9 1HE2 GLN 9 6.774 20.861 -15.970 71 HE22 GLN 9 2HE2 GLN 9 8.217 20.166 -15.307 72 H ASP 10 H ASP 10 8.258 15.473 -12.423 73 HA ASP 10 HA ASP 10 10.695 16.051 -13.747 74 HB2 ASP 10 1HB ASP 10 9.727 13.573 -12.279 75 HB3 ASP 10 2HB ASP 10 11.360 13.716 -12.916 76 H LEU 11 H LEU 11 8.259 13.521 -14.394 77 HA LEU 11 HA LEU 11 9.532 12.419 -16.689 78 HB2 LEU 11 1HB LEU 11 7.651 11.322 -15.590 79 HB3 LEU 11 2HB LEU 11 6.588 12.676 -15.984 80 HG LEU 11 HG LEU 11 6.886 12.131 -18.416 81 HD11 LEU 11 1HD1 LEU 11 7.839 9.946 -18.997 82 HD12 LEU 11 2HD1 LEU 11 9.049 11.012 -18.244 83 HD13 LEU 11 3HD1 LEU 11 8.308 9.700 -17.298 84 HD21 LEU 11 1HD2 LEU 11 5.426 10.139 -18.330 85 HD22 LEU 11 2HD2 LEU 11 5.860 9.894 -16.621 86 HD23 LEU 11 3HD2 LEU 11 4.943 11.339 -17.109 87 H THR 12 H THR 12 7.091 15.019 -16.396 88 HA THR 12 HA THR 12 6.663 15.397 -19.153 89 HB THR 12 HB THR 12 6.541 17.463 -16.914 90 HG1 THR 12 HG1 THR 12 5.140 15.682 -16.615 91 HG21 THR 12 1HG2 THR 12 5.026 18.683 -18.425 92 HG22 THR 12 2HG2 THR 12 6.643 18.510 -19.148 93 HG23 THR 12 3HG2 THR 12 5.308 17.469 -19.695 94 H ASN 13 H ASN 13 9.236 16.602 -17.069 95 HA ASN 13 HA ASN 13 10.095 18.726 -18.776 96 HB2 ASN 13 1HB ASN 13 11.515 17.125 -16.630 97 HB3 ASN 13 2HB ASN 13 12.283 18.456 -17.486 98 HD21 ASN 13 1HD2 ASN 13 10.749 19.663 -14.310 99 HD22 ASN 13 2HD2 ASN 13 11.866 18.404 -14.722 100 H ASN 14 H ASN 14 10.566 15.293 -18.931 101 HA ASN 14 HA ASN 14 12.823 15.691 -20.848 102 HB2 ASN 14 1HB ASN 14 12.159 13.344 -19.043 103 HB3 ASN 14 2HB ASN 14 13.408 13.313 -20.279 104 HD21 ASN 14 1HD2 ASN 14 14.857 14.172 -16.945 105 HD22 ASN 14 2HD2 ASN 14 13.847 12.893 -17.532 106 H ILE 15 H ILE 15 9.733 14.099 -20.294 107 HA ILE 15 HA ILE 15 9.936 12.542 -22.763 108 HB ILE 15 HB ILE 15 8.704 11.808 -20.627 109 HG12 ILE 15 1HG1 ILE 15 7.062 11.698 -23.161 110 HG13 ILE 15 2HG1 ILE 15 8.541 10.776 -22.936 111 HG21 ILE 15 1HG2 ILE 15 6.365 12.552 -20.440 112 HG22 ILE 15 2HG2 ILE 15 7.488 13.916 -20.238 113 HG23 ILE 15 3HG2 ILE 15 6.619 13.699 -21.776 114 HD11 ILE 15 1HD1 ILE 15 6.581 9.423 -22.449 115 HD12 ILE 15 2HD1 ILE 15 7.562 9.656 -20.981 116 HD13 ILE 15 3HD1 ILE 15 6.063 10.590 -21.209 117 H THR 16 H THR 16 8.483 12.691 -24.541 118 HA THR 16 HA THR 16 7.798 15.414 -25.302 119 HB THR 16 HB THR 16 6.929 14.408 -27.366 120 HG1 THR 16 HG1 THR 16 7.471 11.866 -27.127 121 HG21 THR 16 1HG2 THR 16 8.967 13.249 -28.124 122 HG22 THR 16 2HG2 THR 16 9.375 14.679 -27.146 123 HG23 THR 16 3HG2 THR 16 9.490 13.054 -26.434 124 H LEU 17 H LEU 17 5.659 16.085 -26.002 125 HA LEU 17 HA LEU 17 3.811 15.725 -23.825 126 HB2 LEU 17 1HB LEU 17 3.547 17.096 -26.520 127 HB3 LEU 17 2HB LEU 17 2.296 17.140 -25.274 128 HG LEU 17 HG LEU 17 5.112 18.238 -24.957 129 HD11 LEU 17 1HD1 LEU 17 4.015 20.429 -25.098 130 HD12 LEU 17 2HD1 LEU 17 3.807 19.492 -26.597 131 HD13 LEU 17 3HD1 LEU 17 2.463 19.630 -25.439 132 HD21 LEU 17 1HD2 LEU 17 4.178 19.234 -22.897 133 HD22 LEU 17 2HD2 LEU 17 2.626 18.418 -23.205 134 HD23 LEU 17 3HD2 LEU 17 4.082 17.457 -22.850 135 H GLU 18 H GLU 18 4.105 14.354 -27.047 136 HA GLU 18 HA GLU 18 1.460 13.271 -27.222 137 HB2 GLU 18 1HB GLU 18 2.873 13.467 -29.201 138 HB3 GLU 18 2HB GLU 18 4.080 12.398 -28.500 139 HG2 GLU 18 1HG GLU 18 2.821 11.195 -30.141 140 HG3 GLU 18 2HG GLU 18 2.446 10.543 -28.546 141 H ASP 19 H ASP 19 4.561 11.742 -26.282 142 HA ASP 19 HA ASP 19 3.337 9.263 -25.509 143 HB2 ASP 19 1HB ASP 19 6.018 10.525 -24.833 144 HB3 ASP 19 2HB ASP 19 5.549 8.926 -24.272 145 H LEU 20 H LEU 20 4.054 12.265 -23.801 146 HA LEU 20 HA LEU 20 3.588 11.374 -21.153 147 HB2 LEU 20 1HB LEU 20 4.511 13.579 -21.667 148 HB3 LEU 20 2HB LEU 20 3.002 14.060 -22.448 149 HG LEU 20 HG LEU 20 1.844 13.881 -20.243 150 HD11 LEU 20 1HD1 LEU 20 3.212 13.683 -18.214 151 HD12 LEU 20 2HD1 LEU 20 3.316 12.221 -19.222 152 HD13 LEU 20 3HD1 LEU 20 4.655 13.394 -19.215 153 HD21 LEU 20 1HD2 LEU 20 2.874 15.921 -19.301 154 HD22 LEU 20 2HD2 LEU 20 4.313 15.664 -20.317 155 HD23 LEU 20 3HD2 LEU 20 2.743 16.029 -21.073 156 H GLU 21 H GLU 21 1.310 12.710 -23.563 157 HA GLU 21 HA GLU 21 -0.961 12.588 -21.814 158 HB2 GLU 21 1HB GLU 21 -0.690 12.761 -24.835 159 HB3 GLU 21 2HB GLU 21 -2.252 12.751 -24.028 160 HG2 GLU 21 1HG GLU 21 -0.059 14.789 -23.581 161 HG3 GLU 21 2HG GLU 21 -1.479 15.012 -24.600 162 H GLN 22 H GLN 22 0.473 10.307 -24.097 163 HA GLN 22 HA GLN 22 -1.617 8.366 -24.040 164 HB2 GLN 22 1HB GLN 22 1.383 8.107 -24.452 165 HB3 GLN 22 2HB GLN 22 0.280 6.747 -24.595 166 HG2 GLN 22 1HG GLN 22 -0.904 7.846 -26.414 167 HG3 GLN 22 2HG GLN 22 0.148 9.279 -26.245 168 HE21 GLN 22 1HE2 GLN 22 1.857 7.764 -28.951 169 HE22 GLN 22 2HE2 GLN 22 0.648 8.927 -28.518 170 H LEU 23 H LEU 23 1.265 8.795 -21.984 171 HA LEU 23 HA LEU 23 0.690 6.541 -20.295 172 HB2 LEU 23 1HB LEU 23 2.344 9.050 -19.867 173 HB3 LEU 23 2HB LEU 23 2.255 7.732 -18.694 174 HG LEU 23 HG LEU 23 3.257 7.407 -21.543 175 HD11 LEU 23 1HD1 LEU 23 5.495 7.379 -20.535 176 HD12 LEU 23 2HD1 LEU 23 4.682 8.943 -20.288 177 HD13 LEU 23 3HD1 LEU 23 4.786 7.774 -18.951 178 HD21 LEU 23 1HD2 LEU 23 4.132 5.275 -20.650 179 HD22 LEU 23 2HD2 LEU 23 3.404 5.638 -19.067 180 HD23 LEU 23 3HD2 LEU 23 2.362 5.361 -20.483 181 H LYS 24 H LYS 24 -0.120 9.995 -20.138 182 HA LYS 24 HA LYS 24 -1.327 9.947 -17.556 183 HB2 LYS 24 1HB LYS 24 -1.743 11.713 -19.990 184 HB3 LYS 24 2HB LYS 24 -2.633 11.963 -18.494 185 HG2 LYS 24 1HG LYS 24 -0.626 12.449 -17.277 186 HG3 LYS 24 2HG LYS 24 0.393 11.922 -18.623 187 HD2 LYS 24 1HD LYS 24 0.304 14.353 -18.578 188 HD3 LYS 24 2HD LYS 24 -0.540 13.764 -20.018 189 HE2 LYS 24 1HE LYS 24 -2.706 14.049 -18.891 190 HE3 LYS 24 2HE LYS 24 -1.890 14.572 -17.415 191 HZ1 LYS 24 1HZ LYS 24 -2.674 16.426 -18.695 192 HZ2 LYS 24 2HZ LYS 24 -1.026 16.453 -18.630 193 HZ3 LYS 24 3HZ LYS 24 -1.789 15.964 -20.007 194 H SER 25 H SER 25 -2.648 9.326 -20.798 195 HA SER 25 HA SER 25 -5.362 8.999 -20.010 196 HB2 SER 25 1HB SER 25 -3.788 7.705 -22.260 197 HB3 SER 25 2HB SER 25 -5.535 7.620 -22.096 198 HG SER 25 HG SER 25 -3.908 9.872 -22.477 199 H ALA 26 H ALA 26 -2.689 6.648 -20.254 200 HA ALA 26 HA ALA 26 -4.201 4.373 -19.465 201 HB1 ALA 26 1HB ALA 26 -2.010 3.376 -18.891 202 HB2 ALA 26 2HB ALA 26 -1.967 4.199 -20.468 203 HB3 ALA 26 3HB ALA 26 -1.253 4.978 -19.038 204 H CYS 27 H CYS 27 -2.479 6.831 -17.578 205 HA CYS 27 HA CYS 27 -2.822 5.583 -15.031 206 HB2 CYS 27 1HB CYS 27 -2.483 8.494 -15.832 207 HB3 CYS 27 2HB CYS 27 -2.544 7.960 -14.158 208 HG CYS 27 HG CYS 27 -0.123 8.558 -14.941 209 H LYS 28 H LYS 28 -4.840 7.822 -16.910 210 HA LYS 28 HA LYS 28 -6.839 8.182 -14.878 211 HB2 LYS 28 1HB LYS 28 -6.915 8.470 -17.902 212 HB3 LYS 28 2HB LYS 28 -8.290 8.843 -16.872 213 HG2 LYS 28 1HG LYS 28 -6.979 10.566 -15.711 214 HG3 LYS 28 2HG LYS 28 -5.571 10.175 -16.710 215 HD2 LYS 28 1HD LYS 28 -6.845 10.790 -18.744 216 HD3 LYS 28 2HD LYS 28 -8.248 11.187 -17.740 217 HE2 LYS 28 1HE LYS 28 -6.932 12.929 -16.582 218 HE3 LYS 28 2HE LYS 28 -5.524 12.529 -17.570 219 HZ1 LYS 28 1HZ LYS 28 -6.701 14.416 -18.433 220 HZ2 LYS 28 2HZ LYS 28 -6.779 13.171 -19.512 221 HZ3 LYS 28 3HZ LYS 28 -8.093 13.545 -18.589 222 H GLU 29 H GLU 29 -6.374 5.793 -17.442 223 HA GLU 29 HA GLU 29 -8.940 4.546 -17.184 224 HB2 GLU 29 1HB GLU 29 -6.259 3.530 -18.194 225 HB3 GLU 29 2HB GLU 29 -7.722 2.554 -18.232 226 HG2 GLU 29 1HG GLU 29 -8.805 4.129 -19.712 227 HG3 GLU 29 2HG GLU 29 -7.456 5.252 -19.573 228 H ASP 30 H ASP 30 -5.838 4.065 -15.543 229 HA ASP 30 HA ASP 30 -6.765 1.685 -14.137 230 HB2 ASP 30 1HB ASP 30 -4.307 3.449 -13.840 231 HB3 ASP 30 2HB ASP 30 -4.614 2.062 -12.806 232 H ILE 31 H ILE 31 -5.946 5.027 -13.130 233 HA ILE 31 HA ILE 31 -7.490 4.512 -10.627 234 HB ILE 31 HB ILE 31 -5.285 6.550 -11.160 235 HG12 ILE 31 1HG1 ILE 31 -4.419 4.283 -11.065 236 HG13 ILE 31 2HG1 ILE 31 -3.939 5.199 -9.646 237 HG21 ILE 31 1HG2 ILE 31 -5.425 6.985 -8.740 238 HG22 ILE 31 2HG2 ILE 31 -6.964 7.364 -9.549 239 HG23 ILE 31 3HG2 ILE 31 -6.798 5.861 -8.614 240 HD11 ILE 31 1HD1 ILE 31 -4.580 2.931 -9.049 241 HD12 ILE 31 2HD1 ILE 31 -5.703 4.109 -8.328 242 HD13 ILE 31 3HD1 ILE 31 -6.189 3.178 -9.765 243 HA PRO 32 HA PRO 32 -10.450 7.298 -12.504 244 HB2 PRO 32 1HB PRO 32 -11.645 6.793 -9.761 245 HB3 PRO 32 2HB PRO 32 -12.434 6.762 -11.343 246 HG2 PRO 32 1HG PRO 32 -11.852 4.442 -10.171 247 HG3 PRO 32 2HG PRO 32 -11.550 4.625 -11.901 248 HD2 PRO 32 1HD PRO 32 -9.582 4.821 -9.582 249 HD3 PRO 32 2HD PRO 32 -9.390 3.973 -11.170 250 H SER 33 H SER 33 -10.934 9.480 -12.108 251 HA SER 33 HA SER 33 -9.001 10.976 -10.672 252 HB2 SER 33 1HB SER 33 -10.354 12.907 -11.190 253 HB3 SER 33 2HB SER 33 -10.359 11.826 -12.575 254 HG SER 33 HG SER 33 -12.366 12.569 -10.884 255 H GLU 34 H GLU 34 -12.123 9.683 -9.715 256 HA GLU 34 HA GLU 34 -12.408 11.204 -7.299 257 HB2 GLU 34 1HB GLU 34 -13.473 8.474 -8.118 258 HB3 GLU 34 2HB GLU 34 -13.917 9.278 -6.619 259 HG2 GLU 34 1HG GLU 34 -14.871 11.148 -7.880 260 HG3 GLU 34 2HG GLU 34 -14.390 10.386 -9.395 261 H LYS 35 H LYS 35 -10.559 8.355 -8.155 262 HA LYS 35 HA LYS 35 -9.961 7.712 -5.354 263 HB2 LYS 35 1HB LYS 35 -8.876 6.601 -7.972 264 HB3 LYS 35 2HB LYS 35 -8.429 6.003 -6.380 265 HG2 LYS 35 1HG LYS 35 -11.228 5.972 -7.551 266 HG3 LYS 35 2HG LYS 35 -10.124 4.592 -7.446 267 HD2 LYS 35 1HD LYS 35 -10.106 4.817 -4.969 268 HD3 LYS 35 2HD LYS 35 -11.249 6.161 -5.095 269 HE2 LYS 35 1HE LYS 35 -12.871 4.635 -6.222 270 HE3 LYS 35 2HE LYS 35 -11.739 3.299 -5.994 271 HZ1 LYS 35 1HZ LYS 35 -13.394 3.357 -4.276 272 HZ2 LYS 35 2HZ LYS 35 -11.906 3.639 -3.625 273 HZ3 LYS 35 3HZ LYS 35 -12.963 4.887 -3.837 274 H SER 36 H SER 36 -8.513 9.477 -8.014 275 HA SER 36 HA SER 36 -5.865 9.652 -6.934 276 HB2 SER 36 1HB SER 36 -5.500 11.364 -8.550 277 HB3 SER 36 2HB SER 36 -6.575 10.192 -9.296 278 HG SER 36 HG SER 36 -8.280 11.621 -8.386 279 H GLU 37 H GLU 37 -8.848 11.206 -6.116 280 HA GLU 37 HA GLU 37 -7.758 13.527 -4.824 281 HB2 GLU 37 1HB GLU 37 -10.358 12.000 -4.415 282 HB3 GLU 37 2HB GLU 37 -9.976 13.497 -3.577 283 HG2 GLU 37 1HG GLU 37 -9.811 14.671 -5.729 284 HG3 GLU 37 2HG GLU 37 -10.172 13.170 -6.579 285 H GLU 38 H GLU 38 -7.889 10.181 -3.964 286 HA GLU 38 HA GLU 38 -7.294 10.841 -1.119 287 HB2 GLU 38 1HB GLU 38 -8.076 8.207 -2.433 288 HB3 GLU 38 2HB GLU 38 -7.705 8.401 -0.726 289 HG2 GLU 38 1HG GLU 38 -9.600 9.970 -0.502 290 HG3 GLU 38 2HG GLU 38 -9.979 9.740 -2.207 291 H ILE 39 H ILE 39 -5.562 10.714 -3.765 292 HA ILE 39 HA ILE 39 -3.380 9.078 -2.544 293 HB ILE 39 HB ILE 39 -3.841 9.870 -5.450 294 HG12 ILE 39 1HG1 ILE 39 -3.793 7.131 -4.168 295 HG13 ILE 39 2HG1 ILE 39 -5.261 8.033 -4.507 296 HG21 ILE 39 1HG2 ILE 39 -1.830 8.533 -5.926 297 HG22 ILE 39 2HG2 ILE 39 -1.443 9.919 -4.880 298 HG23 ILE 39 3HG2 ILE 39 -1.575 8.288 -4.181 299 HD11 ILE 39 1HD1 ILE 39 -4.816 6.397 -6.249 300 HD12 ILE 39 2HD1 ILE 39 -4.714 8.049 -6.902 301 HD13 ILE 39 3HD1 ILE 39 -3.228 7.134 -6.559 302 H THR 40 H THR 40 -1.731 10.111 -1.693 303 HA THR 40 HA THR 40 -1.327 12.964 -2.493 304 HB THR 40 HB THR 40 -0.419 13.338 -0.218 305 HG1 THR 40 HG1 THR 40 -0.081 11.701 1.100 306 HG21 THR 40 1HG2 THR 40 -2.535 13.120 1.023 307 HG22 THR 40 2HG2 THR 40 -2.827 13.705 -0.632 308 HG23 THR 40 3HG2 THR 40 -3.155 12.006 -0.217 309 H THR 41 H THR 41 0.118 9.831 -2.079 310 HA THR 41 HA THR 41 2.746 11.004 -2.889 311 HB THR 41 HB THR 41 3.898 9.285 -1.596 312 HG1 THR 41 HG1 THR 41 2.865 7.577 -0.884 313 HG21 THR 41 1HG2 THR 41 3.257 9.962 0.685 314 HG22 THR 41 2HG2 THR 41 3.276 11.363 -0.413 315 HG23 THR 41 3HG2 THR 41 1.728 10.625 0.063 316 H GLY 42 H GLY 42 4.211 9.329 -3.893 317 HA2 GLY 42 1HA GLY 42 2.850 8.042 -6.106 318 HA3 GLY 42 2HA GLY 42 4.565 7.968 -5.752 319 H SER 43 H SER 43 4.118 7.024 -2.975 320 HA SER 43 HA SER 43 3.889 4.188 -3.461 321 HB2 SER 43 1HB SER 43 4.155 3.955 -1.073 322 HB3 SER 43 2HB SER 43 5.262 5.194 -1.646 323 HG SER 43 HG SER 43 3.316 5.360 0.138 324 H ALA 44 H ALA 44 1.693 6.693 -2.265 325 HA ALA 44 HA ALA 44 -0.465 4.907 -1.637 326 HB1 ALA 44 1HB ALA 44 -1.878 6.932 -1.766 327 HB2 ALA 44 2HB ALA 44 -0.403 7.217 -0.813 328 HB3 ALA 44 3HB ALA 44 -0.517 7.826 -2.480 329 H TRP 45 H TRP 45 0.438 6.690 -4.582 330 HA TRP 45 HA TRP 45 -1.713 5.960 -6.228 331 HB2 TRP 45 1HB TRP 45 0.121 7.511 -6.885 332 HB3 TRP 45 2HB TRP 45 1.228 6.150 -6.997 333 HD1 TRP 45 HD1 TRP 45 1.047 4.571 -9.139 334 HE1 TRP 45 HE1 TRP 45 -0.150 4.826 -11.418 335 HE3 TRP 45 HE3 TRP 45 -2.062 8.477 -7.963 336 HZ2 TRP 45 HZ2 TRP 45 -2.151 6.473 -12.539 337 HZ3 TRP 45 HZ3 TRP 45 -3.593 9.346 -9.685 338 HH2 TRP 45 HH2 TRP 45 -3.643 8.363 -11.938 339 H PHE 46 H PHE 46 1.375 4.198 -5.770 340 HA PHE 46 HA PHE 46 0.664 1.922 -7.309 341 HB2 PHE 46 1HB PHE 46 2.969 2.388 -6.556 342 HB3 PHE 46 2HB PHE 46 2.497 2.118 -4.886 343 HD1 PHE 46 HD1 PHE 46 2.851 0.467 -8.188 344 HD2 PHE 46 HD2 PHE 46 2.429 -0.050 -3.968 345 HE1 PHE 46 HE1 PHE 46 3.370 -1.938 -8.432 346 HE2 PHE 46 HE2 PHE 46 2.950 -2.455 -4.208 347 HZ PHE 46 HZ PHE 46 3.419 -3.399 -6.443 348 H SER 47 H SER 47 0.231 2.618 -3.840 349 HA SER 47 HA SER 47 -0.744 0.107 -3.033 350 HB2 SER 47 1HB SER 47 -1.504 2.885 -2.072 351 HB3 SER 47 2HB SER 47 -1.944 1.399 -1.245 352 HG SER 47 HG SER 47 0.620 2.413 -1.777 353 H PHE 48 H PHE 48 -2.465 2.845 -4.510 354 HA PHE 48 HA PHE 48 -5.075 1.645 -4.301 355 HB2 PHE 48 1HB PHE 48 -3.885 3.935 -5.859 356 HB3 PHE 48 2HB PHE 48 -5.481 3.344 -6.292 357 HD1 PHE 48 HD1 PHE 48 -3.763 3.867 -3.004 358 HD2 PHE 48 HD2 PHE 48 -7.094 4.780 -5.518 359 HE1 PHE 48 HE1 PHE 48 -4.756 5.224 -1.192 360 HE2 PHE 48 HE2 PHE 48 -8.089 6.141 -3.710 361 HZ PHE 48 HZ PHE 48 -6.919 6.362 -1.546 362 H LEU 49 H LEU 49 -2.550 1.655 -6.794 363 HA LEU 49 HA LEU 49 -4.021 0.364 -8.846 364 HB2 LEU 49 1HB LEU 49 -1.075 0.350 -8.132 365 HB3 LEU 49 2HB LEU 49 -1.710 -0.471 -9.561 366 HG LEU 49 HG LEU 49 -1.990 2.507 -9.029 367 HD11 LEU 49 1HD1 LEU 49 -0.233 2.756 -10.725 368 HD12 LEU 49 2HD1 LEU 49 0.352 1.870 -9.298 369 HD13 LEU 49 3HD1 LEU 49 -0.046 0.988 -10.791 370 HD21 LEU 49 1HD2 LEU 49 -2.638 2.554 -11.413 371 HD22 LEU 49 2HD2 LEU 49 -2.486 0.782 -11.491 372 HD23 LEU 49 3HD2 LEU 49 -3.742 1.523 -10.470 373 H GLU 50 H GLU 50 -2.100 -0.975 -6.159 374 HA GLU 50 HA GLU 50 -2.617 -3.725 -6.917 375 HB2 GLU 50 1HB GLU 50 -0.642 -3.001 -5.558 376 HB3 GLU 50 2HB GLU 50 -1.726 -2.584 -4.237 377 HG2 GLU 50 1HG GLU 50 -2.393 -4.892 -3.975 378 HG3 GLU 50 2HG GLU 50 -1.482 -5.362 -5.409 379 H SER 51 H SER 51 -4.003 -1.470 -4.530 380 HA SER 51 HA SER 51 -5.594 -3.421 -3.191 381 HB2 SER 51 1HB SER 51 -5.948 -0.418 -3.466 382 HB3 SER 51 2HB SER 51 -6.873 -1.428 -2.366 383 HG SER 51 HG SER 51 -4.118 -0.916 -2.407 384 H HIS 52 H HIS 52 -6.211 -1.368 -6.008 385 HA HIS 52 HA HIS 52 -9.038 -2.315 -6.083 386 HB2 HIS 52 1HB HIS 52 -7.636 -0.086 -7.602 387 HB3 HIS 52 2HB HIS 52 -9.325 -0.528 -7.798 388 HD1 HIS 52 HD1 HIS 52 -10.656 -0.521 -5.276 389 HD2 HIS 52 HD2 HIS 52 -7.328 2.023 -5.737 390 HE1 HIS 52 HE1 HIS 52 -10.915 1.238 -3.600 391 H ASN 53 H ASN 53 -6.309 -3.611 -7.018 392 HA ASN 53 HA ASN 53 -5.682 -5.051 -8.703 393 HB2 ASN 53 1HB ASN 53 -8.687 -5.166 -9.129 394 HB3 ASN 53 2HB ASN 53 -7.528 -6.272 -9.854 395 HD21 ASN 53 1HD2 ASN 53 -9.055 -7.358 -6.481 396 HD22 ASN 53 2HD2 ASN 53 -9.771 -6.435 -7.760 397 H LYS 54 H LYS 54 -5.496 -2.339 -9.322 398 HA LYS 54 HA LYS 54 -6.227 -2.318 -12.216 399 HB2 LYS 54 1HB LYS 54 -5.386 -0.002 -10.426 400 HB3 LYS 54 2HB LYS 54 -5.860 0.119 -12.115 401 HG2 LYS 54 1HG LYS 54 -7.665 -0.822 -9.866 402 HG3 LYS 54 2HG LYS 54 -7.650 0.804 -10.566 403 HD2 LYS 54 1HD LYS 54 -8.202 -0.185 -12.793 404 HD3 LYS 54 2HD LYS 54 -8.302 -1.779 -12.031 405 HE2 LYS 54 1HE LYS 54 -10.100 -0.930 -10.536 406 HE3 LYS 54 2HE LYS 54 -10.020 0.635 -11.350 407 HZ1 LYS 54 1HZ LYS 54 -11.773 -0.726 -12.224 408 HZ2 LYS 54 2HZ LYS 54 -10.639 -0.461 -13.393 409 HZ3 LYS 54 3HZ LYS 54 -10.714 -1.923 -12.632 410 H LEU 55 H LEU 55 -3.770 -3.303 -10.367 411 HA LEU 55 HA LEU 55 -1.571 -1.848 -11.634 412 HB2 LEU 55 1HB LEU 55 -1.509 -2.658 -9.266 413 HB3 LEU 55 2HB LEU 55 -1.507 -4.318 -9.866 414 HG LEU 55 HG LEU 55 0.668 -3.891 -10.990 415 HD11 LEU 55 1HD1 LEU 55 1.893 -1.829 -10.464 416 HD12 LEU 55 2HD1 LEU 55 0.393 -1.492 -11.362 417 HD13 LEU 55 3HD1 LEU 55 0.465 -1.199 -9.608 418 HD21 LEU 55 1HD2 LEU 55 1.994 -3.794 -8.906 419 HD22 LEU 55 2HD2 LEU 55 0.568 -3.192 -8.026 420 HD23 LEU 55 3HD2 LEU 55 0.565 -4.836 -8.708 421 H ASP 56 H ASP 56 -2.188 -2.394 -13.850 422 HA ASP 56 HA ASP 56 -1.841 -5.087 -14.820 423 HB2 ASP 56 1HB ASP 56 -1.750 -2.370 -16.178 424 HB3 ASP 56 2HB ASP 56 -1.516 -3.875 -17.057 425 H LYS 57 H LYS 57 -0.109 -6.118 -15.689 426 HA LYS 57 HA LYS 57 2.459 -5.449 -14.637 427 HB2 LYS 57 1HB LYS 57 1.592 -7.378 -16.820 428 HB3 LYS 57 2HB LYS 57 3.258 -7.241 -16.276 429 HG2 LYS 57 1HG LYS 57 2.607 -7.909 -14.012 430 HG3 LYS 57 2HG LYS 57 0.909 -7.979 -14.506 431 HD2 LYS 57 1HD LYS 57 1.449 -9.747 -16.143 432 HD3 LYS 57 2HD LYS 57 3.154 -9.667 -15.674 433 HE2 LYS 57 1HE LYS 57 2.604 -10.383 -13.403 434 HE3 LYS 57 2HE LYS 57 0.878 -10.351 -13.777 435 HZ1 LYS 57 1HZ LYS 57 1.766 -12.562 -13.892 436 HZ2 LYS 57 2HZ LYS 57 1.256 -12.090 -15.388 437 HZ3 LYS 57 3HZ LYS 57 2.867 -12.120 -15.038 438 H ASP 58 H ASP 58 0.966 -4.906 -17.804 439 HA ASP 58 HA ASP 58 3.318 -3.953 -19.117 440 HB2 ASP 58 1HB ASP 58 0.364 -3.404 -19.587 441 HB3 ASP 58 2HB ASP 58 1.632 -2.783 -20.635 442 H ASN 59 H ASN 59 0.722 -2.246 -17.357 443 HA ASN 59 HA ASN 59 1.842 0.366 -17.864 444 HB2 ASN 59 1HB ASN 59 -0.227 -0.656 -15.902 445 HB3 ASN 59 2HB ASN 59 0.255 1.034 -15.975 446 HD21 ASN 59 1HD2 ASN 59 -2.740 0.665 -18.062 447 HD22 ASN 59 2HD2 ASN 59 -2.321 0.479 -16.392 448 H LEU 60 H LEU 60 2.252 -2.035 -15.332 449 HA LEU 60 HA LEU 60 3.681 -0.379 -13.493 450 HB2 LEU 60 1HB LEU 60 2.806 -2.591 -12.891 451 HB3 LEU 60 2HB LEU 60 3.897 -3.360 -14.047 452 HG LEU 60 HG LEU 60 5.837 -2.667 -12.706 453 HD11 LEU 60 1HD1 LEU 60 5.504 -1.607 -10.518 454 HD12 LEU 60 2HD1 LEU 60 4.930 -0.571 -11.845 455 HD13 LEU 60 3HD1 LEU 60 3.762 -1.470 -10.849 456 HD21 LEU 60 1HD2 LEU 60 5.379 -4.104 -10.749 457 HD22 LEU 60 2HD2 LEU 60 3.634 -4.003 -11.082 458 HD23 LEU 60 3HD2 LEU 60 4.715 -4.819 -12.236 459 H SER 61 H SER 61 4.769 -2.433 -16.201 460 HA SER 61 HA SER 61 7.554 -1.792 -15.903 461 HB2 SER 61 1HB SER 61 7.836 -2.807 -18.051 462 HB3 SER 61 2HB SER 61 6.614 -3.733 -17.191 463 HG SER 61 HG SER 61 5.141 -2.144 -18.294 464 H TYR 62 H TYR 62 4.847 -0.201 -17.471 465 HA TYR 62 HA TYR 62 6.415 1.713 -18.947 466 HB2 TYR 62 1HB TYR 62 3.556 1.778 -17.908 467 HB3 TYR 62 2HB TYR 62 4.254 3.054 -18.896 468 HD1 TYR 62 HD1 TYR 62 5.963 0.655 -20.356 469 HD2 TYR 62 HD2 TYR 62 1.835 1.642 -19.736 470 HE1 TYR 62 HE1 TYR 62 5.357 -0.597 -22.399 471 HE2 TYR 62 HE2 TYR 62 1.228 0.391 -21.778 472 HH TYR 62 HH TYR 62 3.708 -1.243 -23.739 473 H ILE 63 H ILE 63 5.068 1.651 -15.666 474 HA ILE 63 HA ILE 63 5.869 4.274 -14.905 475 HB ILE 63 HB ILE 63 5.531 1.715 -13.293 476 HG12 ILE 63 1HG1 ILE 63 3.797 4.188 -13.403 477 HG13 ILE 63 2HG1 ILE 63 3.542 2.782 -14.426 478 HG21 ILE 63 1HG2 ILE 63 5.577 3.149 -11.292 479 HG22 ILE 63 2HG2 ILE 63 7.135 3.199 -12.150 480 HG23 ILE 63 3HG2 ILE 63 5.991 4.553 -12.304 481 HD11 ILE 63 1HD1 ILE 63 2.086 2.726 -12.481 482 HD12 ILE 63 2HD1 ILE 63 3.241 1.373 -12.436 483 HD13 ILE 63 3HD1 ILE 63 3.497 2.797 -11.400 484 H GLU 64 H GLU 64 7.601 1.157 -14.793 485 HA GLU 64 HA GLU 64 10.049 2.061 -13.743 486 HB2 GLU 64 1HB GLU 64 9.473 -0.320 -14.290 487 HB3 GLU 64 2HB GLU 64 9.656 0.053 -15.999 488 HG2 GLU 64 1HG GLU 64 12.014 0.581 -15.664 489 HG3 GLU 64 2HG GLU 64 11.850 0.311 -13.931 490 H HIS 65 H HIS 65 8.815 2.230 -17.077 491 HA HIS 65 HA HIS 65 11.254 3.400 -18.140 492 HB2 HIS 65 1HB HIS 65 8.426 3.165 -19.218 493 HB3 HIS 65 2HB HIS 65 9.724 3.952 -20.105 494 HD1 HIS 65 HD1 HIS 65 12.042 2.188 -20.064 495 HD2 HIS 65 HD2 HIS 65 8.187 0.484 -20.078 496 HE1 HIS 65 HE1 HIS 65 12.304 -0.064 -20.977 497 H ILE 66 H ILE 66 8.249 4.653 -16.785 498 HA ILE 66 HA ILE 66 8.647 7.395 -17.420 499 HB ILE 66 HB ILE 66 7.254 5.994 -15.117 500 HG12 ILE 66 1HG1 ILE 66 6.167 7.655 -17.401 501 HG13 ILE 66 2HG1 ILE 66 6.307 5.904 -17.432 502 HG21 ILE 66 1HG2 ILE 66 6.348 8.188 -14.464 503 HG22 ILE 66 2HG2 ILE 66 8.116 8.144 -14.273 504 HG23 ILE 66 3HG2 ILE 66 7.392 8.982 -15.666 505 HD11 ILE 66 1HD1 ILE 66 4.048 6.593 -16.856 506 HD12 ILE 66 2HD1 ILE 66 4.807 5.736 -15.494 507 HD13 ILE 66 3HD1 ILE 66 4.663 7.509 -15.462 508 H PHE 67 H PHE 67 9.836 5.410 -14.717 509 HA PHE 67 HA PHE 67 11.223 7.647 -13.478 510 HB2 PHE 67 1HB PHE 67 11.307 4.642 -13.042 511 HB3 PHE 67 2HB PHE 67 12.317 5.758 -12.136 512 HD1 PHE 67 HD1 PHE 67 9.907 3.800 -11.372 513 HD2 PHE 67 HD2 PHE 67 10.359 8.024 -11.817 514 HE1 PHE 67 HE1 PHE 67 8.061 4.165 -9.769 515 HE2 PHE 67 HE2 PHE 67 8.516 8.394 -10.212 516 HZ PHE 67 HZ PHE 67 7.366 6.462 -9.188 517 H GLU 68 H GLU 68 12.013 5.150 -15.826 518 HA GLU 68 HA GLU 68 14.814 5.653 -15.995 519 HB2 GLU 68 1HB GLU 68 13.681 3.773 -17.149 520 HB3 GLU 68 2HB GLU 68 12.847 4.910 -18.199 521 HG2 GLU 68 1HG GLU 68 15.027 5.656 -19.100 522 HG3 GLU 68 2HG GLU 68 15.839 4.478 -18.071 523 H ILE 69 H ILE 69 12.055 7.156 -17.701 524 HA ILE 69 HA ILE 69 13.711 9.018 -19.147 525 HB ILE 69 HB ILE 69 10.729 8.969 -18.543 526 HG12 ILE 69 1HG1 ILE 69 12.195 8.486 -21.142 527 HG13 ILE 69 2HG1 ILE 69 11.748 7.202 -20.028 528 HG21 ILE 69 1HG2 ILE 69 10.516 10.742 -20.239 529 HG22 ILE 69 2HG2 ILE 69 11.474 11.300 -18.847 530 HG23 ILE 69 3HG2 ILE 69 12.288 10.842 -20.362 531 HD11 ILE 69 1HD1 ILE 69 10.123 7.413 -21.825 532 HD12 ILE 69 2HD1 ILE 69 9.379 7.813 -20.258 533 HD13 ILE 69 3HD1 ILE 69 9.832 9.112 -21.387 534 H SER 70 H SER 70 11.806 9.225 -16.148 535 HA SER 70 HA SER 70 12.381 12.062 -15.818 536 HB2 SER 70 1HB SER 70 11.126 11.895 -13.794 537 HB3 SER 70 2HB SER 70 10.305 10.901 -14.988 538 HG SER 70 HG SER 70 12.257 9.639 -13.544 539 H ARG 71 H ARG 71 14.173 9.263 -15.346 540 HA ARG 71 HA ARG 71 16.239 8.918 -14.395 541 HB2 ARG 71 1HB ARG 71 16.205 11.931 -14.009 542 HB3 ARG 71 2HB ARG 71 17.613 10.900 -13.810 543 HG2 ARG 71 1HG ARG 71 17.465 10.267 -16.202 544 HG3 ARG 71 2HG ARG 71 16.092 11.386 -16.382 545 HD2 ARG 71 1HD ARG 71 17.504 13.232 -15.687 546 HD3 ARG 71 2HD ARG 71 18.877 12.115 -15.501 547 HE ARG 71 HE ARG 71 17.894 11.800 -18.106 548 HH11 ARG 71 1HH1 ARG 71 19.394 14.301 -16.146 549 HH12 ARG 71 2HH1 ARG 71 20.158 15.087 -17.510 550 HH21 ARG 71 1HH2 ARG 71 18.889 12.830 -19.868 551 HH22 ARG 71 2HH2 ARG 71 19.872 14.255 -19.617 552 H ARG 72 H ARG 72 14.326 8.157 -12.760 553 HA ARG 72 HA ARG 72 15.487 8.979 -10.131 554 HB2 ARG 72 1HB ARG 72 12.661 8.019 -10.698 555 HB3 ARG 72 2HB ARG 72 13.333 8.277 -9.095 556 HG2 ARG 72 1HG ARG 72 13.125 10.468 -11.169 557 HG3 ARG 72 2HG ARG 72 11.867 10.114 -9.961 558 HD2 ARG 72 1HD ARG 72 13.540 10.451 -8.189 559 HD3 ARG 72 2HD ARG 72 14.715 10.926 -9.437 560 HE ARG 72 HE ARG 72 12.389 12.489 -9.763 561 HH11 ARG 72 1HH1 ARG 72 15.013 12.034 -7.472 562 HH12 ARG 72 2HH1 ARG 72 14.962 13.685 -6.894 563 HH21 ARG 72 1HH2 ARG 72 12.333 14.628 -9.005 564 HH22 ARG 72 2HH2 ARG 72 13.445 15.154 -7.761 565 HA PRO 73 HA PRO 73 16.676 4.696 -11.159 566 HB2 PRO 73 1HB PRO 73 18.775 5.501 -9.108 567 HB3 PRO 73 2HB PRO 73 18.981 4.583 -10.606 568 HG2 PRO 73 1HG PRO 73 19.686 7.146 -10.598 569 HG3 PRO 73 2HG PRO 73 18.790 6.517 -11.983 570 HD2 PRO 73 1HD PRO 73 17.774 8.141 -9.619 571 HD3 PRO 73 2HD PRO 73 17.364 8.303 -11.373 572 H ASP 74 H ASP 74 16.482 6.326 -7.997 573 HA ASP 74 HA ASP 74 16.448 3.974 -6.380 574 HB2 ASP 74 1HB ASP 74 15.371 6.779 -5.917 575 HB3 ASP 74 2HB ASP 74 15.316 5.523 -4.688 576 H LEU 75 H LEU 75 13.793 5.972 -7.695 577 HA LEU 75 HA LEU 75 11.737 4.264 -6.585 578 HB2 LEU 75 1HB LEU 75 11.675 6.389 -8.754 579 HB3 LEU 75 2HB LEU 75 10.238 5.568 -8.137 580 HG LEU 75 HG LEU 75 12.101 7.285 -6.461 581 HD11 LEU 75 1HD1 LEU 75 10.287 8.935 -6.546 582 HD12 LEU 75 2HD1 LEU 75 10.945 8.597 -8.164 583 HD13 LEU 75 3HD1 LEU 75 9.389 7.889 -7.671 584 HD21 LEU 75 1HD2 LEU 75 10.271 7.125 -4.807 585 HD22 LEU 75 2HD2 LEU 75 9.371 6.053 -5.907 586 HD23 LEU 75 3HD2 LEU 75 10.916 5.515 -5.207 587 H LEU 76 H LEU 76 13.365 4.533 -9.725 588 HA LEU 76 HA LEU 76 11.863 2.645 -11.178 589 HB2 LEU 76 1HB LEU 76 13.737 4.071 -12.052 590 HB3 LEU 76 2HB LEU 76 14.880 2.999 -11.238 591 HG LEU 76 HG LEU 76 12.930 1.886 -13.254 592 HD11 LEU 76 1HD1 LEU 76 14.608 2.281 -15.001 593 HD12 LEU 76 2HD1 LEU 76 13.984 3.807 -14.332 594 HD13 LEU 76 3HD1 LEU 76 15.590 3.213 -13.847 595 HD21 LEU 76 1HD2 LEU 76 14.764 0.251 -13.534 596 HD22 LEU 76 2HD2 LEU 76 15.749 1.154 -12.359 597 HD23 LEU 76 3HD2 LEU 76 14.250 0.352 -11.833 598 H THR 77 H THR 77 14.655 2.117 -9.010 599 HA THR 77 HA THR 77 14.783 -0.696 -9.277 600 HB THR 77 HB THR 77 15.429 1.022 -6.842 601 HG1 THR 77 HG1 THR 77 16.709 1.622 -8.563 602 HG21 THR 77 1HG2 THR 77 16.874 -0.860 -6.180 603 HG22 THR 77 2HG2 THR 77 15.169 -1.367 -6.268 604 HG23 THR 77 3HG2 THR 77 16.295 -1.800 -7.576 605 H MET 78 H MET 78 12.824 1.332 -7.112 606 HA MET 78 HA MET 78 11.693 -0.792 -5.590 607 HB2 MET 78 1HB MET 78 10.652 1.969 -6.310 608 HB3 MET 78 2HB MET 78 9.805 0.886 -5.216 609 HG2 MET 78 1HG MET 78 12.598 1.993 -4.814 610 HG3 MET 78 2HG MET 78 11.129 2.529 -3.994 611 HE1 MET 78 1HE MET 78 10.209 -0.548 -1.773 612 HE2 MET 78 2HE MET 78 9.830 1.143 -2.187 613 HE3 MET 78 3HE MET 78 9.580 -0.147 -3.389 614 H VAL 79 H VAL 79 10.759 0.642 -8.692 615 HA VAL 79 HA VAL 79 8.299 -0.798 -8.966 616 HB VAL 79 HB VAL 79 10.202 0.372 -11.038 617 HG11 VAL 79 1HG1 VAL 79 8.357 0.177 -12.633 618 HG12 VAL 79 2HG1 VAL 79 8.908 -1.413 -12.054 619 HG13 VAL 79 3HG1 VAL 79 7.402 -0.707 -11.420 620 HG21 VAL 79 1HG2 VAL 79 8.494 2.159 -11.148 621 HG22 VAL 79 2HG2 VAL 79 7.551 1.333 -9.884 622 HG23 VAL 79 3HG2 VAL 79 9.155 2.001 -9.503 623 H VAL 80 H VAL 80 11.647 -1.503 -9.964 624 HA VAL 80 HA VAL 80 11.177 -3.947 -11.298 625 HB VAL 80 HB VAL 80 13.523 -3.053 -9.574 626 HG11 VAL 80 1HG1 VAL 80 14.812 -4.826 -10.659 627 HG12 VAL 80 2HG1 VAL 80 13.482 -5.477 -9.675 628 HG13 VAL 80 3HG1 VAL 80 13.332 -5.419 -11.448 629 HG21 VAL 80 1HG2 VAL 80 14.575 -2.621 -11.771 630 HG22 VAL 80 2HG2 VAL 80 13.082 -3.142 -12.587 631 HG23 VAL 80 3HG2 VAL 80 13.079 -1.677 -11.577 632 H ASP 81 H ASP 81 11.717 -3.291 -7.827 633 HA ASP 81 HA ASP 81 11.405 -6.008 -6.974 634 HB2 ASP 81 1HB ASP 81 11.004 -3.352 -5.555 635 HB3 ASP 81 2HB ASP 81 10.799 -4.899 -4.744 636 H TYR 82 H TYR 82 9.110 -3.368 -7.541 637 HA TYR 82 HA TYR 82 6.811 -4.717 -6.493 638 HB2 TYR 82 1HB TYR 82 7.125 -2.519 -8.570 639 HB3 TYR 82 2HB TYR 82 5.558 -3.106 -8.034 640 HD1 TYR 82 HD1 TYR 82 6.781 -3.596 -5.099 641 HD2 TYR 82 HD2 TYR 82 6.506 -0.270 -7.794 642 HE1 TYR 82 HE1 TYR 82 6.850 -2.038 -3.182 643 HE2 TYR 82 HE2 TYR 82 6.575 1.289 -5.879 644 HH TYR 82 HH TYR 82 6.819 0.089 -2.538 645 H ARG 83 H ARG 83 8.334 -4.687 -9.693 646 HA ARG 83 HA ARG 83 6.333 -6.196 -11.048 647 HB2 ARG 83 1HB ARG 83 9.319 -5.915 -11.477 648 HB3 ARG 83 2HB ARG 83 8.304 -6.882 -12.536 649 HG2 ARG 83 1HG ARG 83 6.986 -4.906 -13.121 650 HG3 ARG 83 2HG ARG 83 7.970 -3.917 -12.016 651 HD2 ARG 83 1HD ARG 83 8.715 -3.643 -14.281 652 HD3 ARG 83 2HD ARG 83 9.958 -4.481 -13.323 653 HE ARG 83 HE ARG 83 8.274 -6.379 -14.610 654 HH11 ARG 83 1HH1 ARG 83 10.817 -4.053 -15.291 655 HH12 ARG 83 2HH1 ARG 83 11.411 -4.923 -16.688 656 HH21 ARG 83 1HH2 ARG 83 9.053 -7.499 -16.424 657 HH22 ARG 83 2HH2 ARG 83 10.414 -6.874 -17.331 658 H THR 84 H THR 84 9.236 -7.203 -9.233 659 HA THR 84 HA THR 84 8.913 -10.006 -9.613 660 HB THR 84 HB THR 84 10.125 -8.492 -7.261 661 HG1 THR 84 HG1 THR 84 11.322 -8.055 -9.052 662 HG21 THR 84 1HG2 THR 84 11.305 -10.603 -6.794 663 HG22 THR 84 2HG2 THR 84 9.543 -10.819 -6.669 664 HG23 THR 84 3HG2 THR 84 10.411 -11.399 -8.110 665 H ARG 85 H ARG 85 7.665 -7.820 -7.088 666 HA ARG 85 HA ARG 85 6.332 -9.730 -5.509 667 HB2 ARG 85 1HB ARG 85 6.534 -7.383 -4.853 668 HB3 ARG 85 2HB ARG 85 5.508 -6.887 -6.190 669 HG2 ARG 85 1HG ARG 85 3.613 -8.105 -5.183 670 HG3 ARG 85 2HG ARG 85 4.658 -8.566 -3.817 671 HD2 ARG 85 1HD ARG 85 4.966 -6.267 -3.225 672 HD3 ARG 85 2HD ARG 85 4.048 -5.742 -4.655 673 HE ARG 85 HE ARG 85 2.072 -6.301 -3.596 674 HH11 ARG 85 1HH1 ARG 85 4.810 -7.440 -1.715 675 HH12 ARG 85 2HH1 ARG 85 3.848 -7.802 -0.299 676 HH21 ARG 85 1HH2 ARG 85 0.832 -6.774 -1.753 677 HH22 ARG 85 2HH2 ARG 85 1.596 -7.425 -0.320 678 H VAL 86 H VAL 86 5.140 -7.948 -8.370 679 HA VAL 86 HA VAL 86 2.524 -9.082 -8.347 680 HB VAL 86 HB VAL 86 4.200 -7.934 -10.616 681 HG11 VAL 86 1HG1 VAL 86 2.113 -7.757 -11.880 682 HG12 VAL 86 2HG1 VAL 86 2.541 -9.449 -11.535 683 HG13 VAL 86 3HG1 VAL 86 1.260 -8.646 -10.596 684 HG21 VAL 86 1HG2 VAL 86 2.741 -5.964 -10.284 685 HG22 VAL 86 2HG2 VAL 86 1.916 -6.802 -8.948 686 HG23 VAL 86 3HG2 VAL 86 3.634 -6.362 -8.797 687 H LEU 87 H LEU 87 5.547 -10.080 -9.940 688 HA LEU 87 HA LEU 87 4.458 -12.256 -11.419 689 HB2 LEU 87 1HB LEU 87 7.219 -11.759 -10.265 690 HB3 LEU 87 2HB LEU 87 6.839 -13.150 -11.285 691 HG LEU 87 HG LEU 87 6.541 -10.254 -12.156 692 HD11 LEU 87 1HD1 LEU 87 8.586 -10.659 -13.451 693 HD12 LEU 87 2HD1 LEU 87 8.875 -10.810 -11.702 694 HD13 LEU 87 3HD1 LEU 87 8.737 -12.270 -12.710 695 HD21 LEU 87 1HD2 LEU 87 6.345 -11.275 -14.398 696 HD22 LEU 87 2HD2 LEU 87 6.463 -12.896 -13.670 697 HD23 LEU 87 3HD2 LEU 87 5.061 -11.861 -13.313 698 H LYS 88 H LYS 88 5.643 -12.004 -8.086 699 HA LYS 88 HA LYS 88 5.377 -14.808 -7.487 700 HB2 LYS 88 1HB LYS 88 5.438 -12.320 -5.744 701 HB3 LYS 88 2HB LYS 88 5.301 -13.942 -5.077 702 HG2 LYS 88 1HG LYS 88 7.456 -14.556 -6.104 703 HG3 LYS 88 2HG LYS 88 7.594 -12.927 -6.782 704 HD2 LYS 88 1HD LYS 88 7.608 -11.956 -4.530 705 HD3 LYS 88 2HD LYS 88 7.375 -13.559 -3.815 706 HE2 LYS 88 1HE LYS 88 9.536 -14.299 -4.752 707 HE3 LYS 88 2HE LYS 88 9.768 -12.714 -5.493 708 HZ1 LYS 88 1HZ LYS 88 10.944 -12.903 -3.426 709 HZ2 LYS 88 2HZ LYS 88 9.769 -11.752 -3.294 710 HZ3 LYS 88 3HZ LYS 88 9.554 -13.234 -2.602 711 H ILE 89 H ILE 89 3.176 -12.046 -7.338 712 HA ILE 89 HA ILE 89 1.057 -13.409 -5.970 713 HB ILE 89 HB ILE 89 1.072 -11.003 -7.832 714 HG12 ILE 89 1HG1 ILE 89 0.621 -11.151 -4.847 715 HG13 ILE 89 2HG1 ILE 89 2.198 -10.882 -5.574 716 HG21 ILE 89 1HG2 ILE 89 -1.233 -10.589 -7.073 717 HG22 ILE 89 2HG2 ILE 89 -1.119 -12.125 -7.964 718 HG23 ILE 89 3HG2 ILE 89 -1.222 -12.133 -6.187 719 HD11 ILE 89 1HD1 ILE 89 1.173 -8.783 -4.898 720 HD12 ILE 89 2HD1 ILE 89 1.360 -8.847 -6.668 721 HD13 ILE 89 3HD1 ILE 89 -0.236 -9.118 -5.930 722 H SER 90 H SER 90 1.682 -12.829 -9.441 723 HA SER 90 HA SER 90 0.513 -15.367 -10.168 724 HB2 SER 90 1HB SER 90 -1.573 -14.166 -9.731 725 HB3 SER 90 2HB SER 90 -1.069 -12.849 -10.779 726 HG SER 90 HG SER 90 -2.025 -15.339 -11.370 Start of MODEL 7 1 H1 MET 1 1H MET 1 -2.530 14.205 -4.758 2 H2 MET 1 2H MET 1 -1.217 14.919 -4.100 3 H3 MET 1 3H MET 1 -2.179 15.759 -5.116 4 HA MET 1 HA MET 1 -0.541 13.452 -5.800 5 HB2 MET 1 1HB MET 1 -2.428 15.166 -7.453 6 HB3 MET 1 2HB MET 1 -1.224 14.102 -8.163 7 HG2 MET 1 1HG MET 1 -2.309 12.183 -6.946 8 HG3 MET 1 2HG MET 1 -3.587 13.296 -6.450 9 HE1 MET 1 1HE MET 1 -5.362 14.211 -9.760 10 HE2 MET 1 2HE MET 1 -5.430 14.240 -7.980 11 HE3 MET 1 3HE MET 1 -4.163 15.151 -8.838 12 H ALA 2 H ALA 2 0.534 15.530 -4.341 13 HA ALA 2 HA ALA 2 1.632 17.568 -6.064 14 HB1 ALA 2 1HB ALA 2 3.114 18.059 -4.145 15 HB2 ALA 2 2HB ALA 2 1.413 17.905 -3.642 16 HB3 ALA 2 3HB ALA 2 2.554 16.574 -3.342 17 H GLU 3 H GLU 3 2.883 14.496 -4.761 18 HA GLU 3 HA GLU 3 5.421 14.755 -6.146 19 HB2 GLU 3 1HB GLU 3 5.124 13.404 -4.066 20 HB3 GLU 3 2HB GLU 3 4.090 12.290 -4.950 21 HG2 GLU 3 1HG GLU 3 5.920 11.609 -6.365 22 HG3 GLU 3 2HG GLU 3 6.970 12.849 -5.681 23 H TYR 4 H TYR 4 2.370 13.021 -6.747 24 HA TYR 4 HA TYR 4 3.119 11.725 -9.148 25 HB2 TYR 4 1HB TYR 4 1.004 11.222 -8.070 26 HB3 TYR 4 2HB TYR 4 0.451 12.881 -8.256 27 HD1 TYR 4 HD1 TYR 4 1.555 9.926 -10.266 28 HD2 TYR 4 HD2 TYR 4 -0.841 13.480 -10.084 29 HE1 TYR 4 HE1 TYR 4 0.521 9.340 -12.432 30 HE2 TYR 4 HE2 TYR 4 -1.876 12.893 -12.251 31 HH TYR 4 HH TYR 4 -1.961 11.432 -13.913 32 H GLY 5 H GLY 5 1.739 14.988 -8.668 33 HA2 GLY 5 1HA GLY 5 1.805 15.861 -11.354 34 HA3 GLY 5 2HA GLY 5 1.976 16.903 -9.952 35 H THR 6 H THR 6 4.350 15.905 -8.841 36 HA THR 6 HA THR 6 6.356 17.192 -10.383 37 HB THR 6 HB THR 6 6.661 15.103 -8.182 38 HG1 THR 6 HG1 THR 6 5.579 16.989 -7.503 39 HG21 THR 6 1HG2 THR 6 8.923 16.043 -7.916 40 HG22 THR 6 2HG2 THR 6 8.713 15.344 -9.539 41 HG23 THR 6 3HG2 THR 6 8.651 17.108 -9.314 42 H LEU 7 H LEU 7 5.445 13.767 -10.118 43 HA LEU 7 HA LEU 7 7.542 12.712 -11.718 44 HB2 LEU 7 1HB LEU 7 4.683 11.786 -11.282 45 HB3 LEU 7 2HB LEU 7 5.886 10.847 -12.170 46 HG LEU 7 HG LEU 7 6.141 11.665 -9.255 47 HD11 LEU 7 1HD1 LEU 7 5.636 9.310 -8.786 48 HD12 LEU 7 2HD1 LEU 7 4.281 10.122 -9.604 49 HD13 LEU 7 3HD1 LEU 7 5.344 9.027 -10.518 50 HD21 LEU 7 1HD2 LEU 7 7.992 10.027 -9.271 51 HD22 LEU 7 2HD2 LEU 7 7.735 9.754 -11.012 52 HD23 LEU 7 3HD2 LEU 7 8.290 11.342 -10.433 53 H LEU 8 H LEU 8 4.363 14.049 -12.585 54 HA LEU 8 HA LEU 8 4.577 13.507 -15.392 55 HB2 LEU 8 1HB LEU 8 3.018 15.605 -13.846 56 HB3 LEU 8 2HB LEU 8 2.848 15.338 -15.584 57 HG LEU 8 HG LEU 8 2.257 13.257 -13.449 58 HD11 LEU 8 1HD1 LEU 8 -0.096 13.716 -13.978 59 HD12 LEU 8 2HD1 LEU 8 0.721 15.152 -13.319 60 HD13 LEU 8 3HD1 LEU 8 0.405 15.032 -15.066 61 HD21 LEU 8 1HD2 LEU 8 1.208 12.058 -15.339 62 HD22 LEU 8 2HD2 LEU 8 1.726 13.350 -16.448 63 HD23 LEU 8 3HD2 LEU 8 2.941 12.332 -15.637 64 H GLN 9 H GLN 9 5.607 16.210 -13.348 65 HA GLN 9 HA GLN 9 6.433 17.927 -15.490 66 HB2 GLN 9 1HB GLN 9 7.312 17.727 -12.586 67 HB3 GLN 9 2HB GLN 9 7.895 18.971 -13.682 68 HG2 GLN 9 1HG GLN 9 5.657 19.839 -13.976 69 HG3 GLN 9 2HG GLN 9 4.988 18.514 -12.983 70 HE21 GLN 9 1HE2 GLN 9 5.346 21.635 -10.939 71 HE22 GLN 9 2HE2 GLN 9 4.567 21.255 -12.438 72 H ASP 10 H ASP 10 8.116 15.419 -13.613 73 HA ASP 10 HA ASP 10 10.669 15.735 -14.835 74 HB2 ASP 10 1HB ASP 10 9.279 13.330 -13.605 75 HB3 ASP 10 2HB ASP 10 10.926 13.257 -14.217 76 H LEU 11 H LEU 11 7.851 13.748 -15.736 77 HA LEU 11 HA LEU 11 9.029 12.524 -18.020 78 HB2 LEU 11 1HB LEU 11 6.152 13.230 -17.361 79 HB3 LEU 11 2HB LEU 11 6.619 12.302 -18.790 80 HG LEU 11 HG LEU 11 7.224 11.431 -15.944 81 HD11 LEU 11 1HD1 LEU 11 5.331 9.893 -16.217 82 HD12 LEU 11 2HD1 LEU 11 4.812 11.593 -16.290 83 HD13 LEU 11 3HD1 LEU 11 4.950 10.639 -17.786 84 HD21 LEU 11 1HD2 LEU 11 7.613 9.253 -17.044 85 HD22 LEU 11 2HD2 LEU 11 7.265 9.990 -18.627 86 HD23 LEU 11 3HD2 LEU 11 8.695 10.504 -17.701 87 H THR 12 H THR 12 7.367 15.627 -17.582 88 HA THR 12 HA THR 12 6.790 16.209 -20.262 89 HB THR 12 HB THR 12 7.609 18.155 -18.061 90 HG1 THR 12 HG1 THR 12 5.746 16.778 -17.660 91 HG21 THR 12 1HG2 THR 12 6.365 19.817 -19.386 92 HG22 THR 12 2HG2 THR 12 7.737 19.164 -20.312 93 HG23 THR 12 3HG2 THR 12 6.083 18.603 -20.655 94 H ASN 13 H ASN 13 9.855 16.433 -18.541 95 HA ASN 13 HA ASN 13 10.987 18.044 -20.771 96 HB2 ASN 13 1HB ASN 13 11.976 17.492 -17.956 97 HB3 ASN 13 2HB ASN 13 12.905 18.369 -19.164 98 HD21 ASN 13 1HD2 ASN 13 10.717 20.542 -16.889 99 HD22 ASN 13 2HD2 ASN 13 11.629 19.113 -16.533 100 H ASN 14 H ASN 14 10.647 14.877 -20.018 101 HA ASN 14 HA ASN 14 13.351 14.181 -21.090 102 HB2 ASN 14 1HB ASN 14 11.590 12.794 -19.064 103 HB3 ASN 14 2HB ASN 14 12.823 11.912 -19.955 104 HD21 ASN 14 1HD2 ASN 14 13.793 14.283 -16.841 105 HD22 ASN 14 2HD2 ASN 14 12.161 14.047 -17.373 106 H ILE 15 H ILE 15 9.885 13.512 -21.204 107 HA ILE 15 HA ILE 15 10.379 12.108 -23.797 108 HB ILE 15 HB ILE 15 8.272 10.875 -23.423 109 HG12 ILE 15 1HG1 ILE 15 8.184 12.126 -20.673 110 HG13 ILE 15 2HG1 ILE 15 7.236 12.711 -22.033 111 HG21 ILE 15 1HG2 ILE 15 9.027 9.444 -21.568 112 HG22 ILE 15 2HG2 ILE 15 10.386 9.885 -22.627 113 HG23 ILE 15 3HG2 ILE 15 10.179 10.703 -21.061 114 HD11 ILE 15 1HD1 ILE 15 5.920 11.239 -20.614 115 HD12 ILE 15 2HD1 ILE 15 6.141 10.521 -22.228 116 HD13 ILE 15 3HD1 ILE 15 7.099 9.928 -20.851 117 H THR 16 H THR 16 8.355 12.178 -25.229 118 HA THR 16 HA THR 16 7.906 14.999 -25.762 119 HB THR 16 HB THR 16 6.697 14.235 -27.750 120 HG1 THR 16 HG1 THR 16 7.084 11.539 -27.019 121 HG21 THR 16 1HG2 THR 16 8.459 12.870 -28.799 122 HG22 THR 16 2HG2 THR 16 9.166 14.172 -27.814 123 HG23 THR 16 3HG2 THR 16 9.137 12.504 -27.196 124 H LEU 17 H LEU 17 5.749 15.890 -26.230 125 HA LEU 17 HA LEU 17 4.086 15.635 -23.899 126 HB2 LEU 17 1HB LEU 17 3.669 17.037 -26.560 127 HB3 LEU 17 2HB LEU 17 2.540 17.155 -25.206 128 HG LEU 17 HG LEU 17 5.440 18.064 -25.143 129 HD11 LEU 17 1HD1 LEU 17 4.481 20.323 -25.185 130 HD12 LEU 17 2HD1 LEU 17 4.079 19.411 -26.659 131 HD13 LEU 17 3HD1 LEU 17 2.855 19.629 -25.386 132 HD21 LEU 17 1HD2 LEU 17 4.761 19.107 -23.008 133 HD22 LEU 17 2HD2 LEU 17 3.138 18.397 -23.176 134 HD23 LEU 17 3HD2 LEU 17 4.552 17.340 -22.952 135 H GLU 18 H GLU 18 3.942 14.325 -27.171 136 HA GLU 18 HA GLU 18 1.290 13.252 -26.989 137 HB2 GLU 18 1HB GLU 18 3.714 12.423 -28.628 138 HB3 GLU 18 2HB GLU 18 2.134 11.672 -28.800 139 HG2 GLU 18 1HG GLU 18 1.160 13.829 -29.441 140 HG3 GLU 18 2HG GLU 18 2.728 14.607 -29.235 141 H ASP 19 H ASP 19 4.493 11.948 -26.155 142 HA ASP 19 HA ASP 19 3.490 9.382 -25.301 143 HB2 ASP 19 1HB ASP 19 6.057 10.894 -24.692 144 HB3 ASP 19 2HB ASP 19 5.727 9.280 -24.074 145 H LEU 20 H LEU 20 4.115 12.470 -23.667 146 HA LEU 20 HA LEU 20 3.624 11.570 -21.010 147 HB2 LEU 20 1HB LEU 20 4.650 13.733 -21.489 148 HB3 LEU 20 2HB LEU 20 3.181 14.286 -22.299 149 HG LEU 20 HG LEU 20 1.968 14.185 -20.134 150 HD11 LEU 20 1HD1 LEU 20 3.248 13.856 -18.064 151 HD12 LEU 20 2HD1 LEU 20 3.275 12.404 -19.093 152 HD13 LEU 20 3HD1 LEU 20 4.697 13.472 -19.023 153 HD21 LEU 20 1HD2 LEU 20 3.116 16.127 -19.125 154 HD22 LEU 20 2HD2 LEU 20 4.565 15.777 -20.098 155 HD23 LEU 20 3HD2 LEU 20 3.054 16.270 -20.898 156 H GLU 21 H GLU 21 1.434 13.015 -23.438 157 HA GLU 21 HA GLU 21 -0.885 12.904 -21.748 158 HB2 GLU 21 1HB GLU 21 -0.539 13.122 -24.759 159 HB3 GLU 21 2HB GLU 21 -2.116 13.139 -23.984 160 HG2 GLU 21 1HG GLU 21 0.115 15.117 -23.469 161 HG3 GLU 21 2HG GLU 21 -1.285 15.387 -24.504 162 H GLN 22 H GLN 22 0.609 10.629 -23.986 163 HA GLN 22 HA GLN 22 -1.525 8.725 -24.041 164 HB2 GLN 22 1HB GLN 22 0.423 8.685 -25.593 165 HB3 GLN 22 2HB GLN 22 1.477 8.255 -24.254 166 HG2 GLN 22 1HG GLN 22 0.960 6.290 -25.526 167 HG3 GLN 22 2HG GLN 22 0.169 6.171 -23.928 168 HE21 GLN 22 1HE2 GLN 22 -2.888 5.436 -25.366 169 HE22 GLN 22 2HE2 GLN 22 -1.721 5.177 -24.112 170 H LEU 23 H LEU 23 1.281 9.104 -21.874 171 HA LEU 23 HA LEU 23 0.612 6.868 -20.200 172 HB2 LEU 23 1HB LEU 23 2.234 9.383 -19.700 173 HB3 LEU 23 2HB LEU 23 2.082 8.076 -18.523 174 HG LEU 23 HG LEU 23 3.260 7.754 -21.305 175 HD11 LEU 23 1HD1 LEU 23 5.422 7.686 -20.143 176 HD12 LEU 23 2HD1 LEU 23 4.611 9.256 -19.932 177 HD13 LEU 23 3HD1 LEU 23 4.608 8.066 -18.607 178 HD21 LEU 23 1HD2 LEU 23 4.047 5.600 -20.385 179 HD22 LEU 23 2HD2 LEU 23 3.215 5.949 -18.851 180 HD23 LEU 23 3HD2 LEU 23 2.271 5.704 -20.341 181 H LYS 24 H LYS 24 -0.191 10.328 -20.097 182 HA LYS 24 HA LYS 24 -1.552 10.258 -17.583 183 HB2 LYS 24 1HB LYS 24 -1.767 12.098 -19.989 184 HB3 LYS 24 2HB LYS 24 -2.723 12.339 -18.534 185 HG2 LYS 24 1HG LYS 24 -0.772 12.734 -17.205 186 HG3 LYS 24 2HG LYS 24 0.300 12.195 -18.505 187 HD2 LYS 24 1HD LYS 24 0.309 14.620 -18.429 188 HD3 LYS 24 2HD LYS 24 -0.506 14.097 -19.911 189 HE2 LYS 24 1HE LYS 24 -2.699 14.448 -18.849 190 HE3 LYS 24 2HE LYS 24 -1.910 14.922 -17.343 191 HZ1 LYS 24 1HZ LYS 24 -2.577 16.819 -18.625 192 HZ2 LYS 24 2HZ LYS 24 -0.933 16.778 -18.508 193 HZ3 LYS 24 3HZ LYS 24 -1.670 16.336 -19.914 194 H SER 25 H SER 25 -2.637 9.691 -20.912 195 HA SER 25 HA SER 25 -5.416 9.442 -20.336 196 HB2 SER 25 1HB SER 25 -3.706 8.118 -22.466 197 HB3 SER 25 2HB SER 25 -5.461 8.070 -22.435 198 HG SER 25 HG SER 25 -3.772 10.300 -22.656 199 H ALA 26 H ALA 26 -2.808 7.001 -20.435 200 HA ALA 26 HA ALA 26 -4.435 4.794 -19.668 201 HB1 ALA 26 1HB ALA 26 -2.305 3.729 -18.997 202 HB2 ALA 26 2HB ALA 26 -2.176 4.518 -20.587 203 HB3 ALA 26 3HB ALA 26 -1.482 5.299 -19.147 204 H CYS 27 H CYS 27 -2.716 7.244 -17.773 205 HA CYS 27 HA CYS 27 -3.159 6.074 -15.211 206 HB2 CYS 27 1HB CYS 27 -2.772 8.953 -16.096 207 HB3 CYS 27 2HB CYS 27 -2.931 8.494 -14.407 208 HG CYS 27 HG CYS 27 -0.458 9.057 -15.210 209 H LYS 28 H LYS 28 -5.104 8.294 -17.195 210 HA LYS 28 HA LYS 28 -7.176 8.685 -15.251 211 HB2 LYS 28 1HB LYS 28 -7.144 8.905 -18.282 212 HB3 LYS 28 2HB LYS 28 -8.557 9.299 -17.311 213 HG2 LYS 28 1HG LYS 28 -7.300 11.055 -16.149 214 HG3 LYS 28 2HG LYS 28 -5.847 10.637 -17.067 215 HD2 LYS 28 1HD LYS 28 -7.028 11.191 -19.177 216 HD3 LYS 28 2HD LYS 28 -8.469 11.628 -18.247 217 HE2 LYS 28 1HE LYS 28 -7.198 13.400 -17.093 218 HE3 LYS 28 2HE LYS 28 -5.743 12.955 -17.989 219 HZ1 LYS 28 1HZ LYS 28 -6.853 14.819 -18.979 220 HZ2 LYS 28 2HZ LYS 28 -6.886 13.538 -20.018 221 HZ3 LYS 28 3HZ LYS 28 -8.244 13.955 -19.179 222 H GLU 29 H GLU 29 -6.617 6.238 -17.740 223 HA GLU 29 HA GLU 29 -9.200 4.989 -17.483 224 HB2 GLU 29 1HB GLU 29 -6.526 3.979 -18.523 225 HB3 GLU 29 2HB GLU 29 -7.997 3.018 -18.567 226 HG2 GLU 29 1HG GLU 29 -9.073 4.626 -20.020 227 HG3 GLU 29 2HG GLU 29 -7.700 5.723 -19.885 228 H ASP 30 H ASP 30 -6.102 4.602 -15.831 229 HA ASP 30 HA ASP 30 -6.920 2.117 -14.536 230 HB2 ASP 30 1HB ASP 30 -4.518 3.950 -14.214 231 HB3 ASP 30 2HB ASP 30 -4.765 2.533 -13.204 232 H ILE 31 H ILE 31 -6.107 5.395 -13.321 233 HA ILE 31 HA ILE 31 -7.441 4.670 -10.770 234 HB ILE 31 HB ILE 31 -5.638 7.026 -11.468 235 HG12 ILE 31 1HG1 ILE 31 -4.416 4.941 -11.502 236 HG13 ILE 31 2HG1 ILE 31 -3.975 5.882 -10.086 237 HG21 ILE 31 1HG2 ILE 31 -5.605 7.426 -9.039 238 HG22 ILE 31 2HG2 ILE 31 -7.255 7.571 -9.689 239 HG23 ILE 31 3HG2 ILE 31 -6.774 6.106 -8.802 240 HD11 ILE 31 1HD1 ILE 31 -4.206 3.524 -9.537 241 HD12 ILE 31 2HD1 ILE 31 -5.439 4.488 -8.688 242 HD13 ILE 31 3HD1 ILE 31 -5.885 3.534 -10.124 243 HA PRO 32 HA PRO 32 -11.017 6.951 -12.065 244 HB2 PRO 32 1HB PRO 32 -11.535 6.671 -9.088 245 HB3 PRO 32 2HB PRO 32 -12.625 6.350 -10.443 246 HG2 PRO 32 1HG PRO 32 -11.499 4.277 -9.210 247 HG3 PRO 32 2HG PRO 32 -11.586 4.276 -10.973 248 HD2 PRO 32 1HD PRO 32 -9.232 4.983 -9.171 249 HD3 PRO 32 2HD PRO 32 -9.254 3.970 -10.670 250 H SER 33 H SER 33 -11.584 9.108 -11.927 251 HA SER 33 HA SER 33 -9.635 10.936 -10.926 252 HB2 SER 33 1HB SER 33 -11.173 12.671 -11.614 253 HB3 SER 33 2HB SER 33 -11.171 11.396 -12.823 254 HG SER 33 HG SER 33 -13.172 12.354 -11.402 255 H GLU 34 H GLU 34 -12.597 9.626 -9.557 256 HA GLU 34 HA GLU 34 -12.780 11.488 -7.367 257 HB2 GLU 34 1HB GLU 34 -13.839 8.659 -7.733 258 HB3 GLU 34 2HB GLU 34 -14.202 9.655 -6.331 259 HG2 GLU 34 1HG GLU 34 -15.277 11.322 -7.766 260 HG3 GLU 34 2HG GLU 34 -14.873 10.371 -9.193 261 H LYS 35 H LYS 35 -10.992 8.510 -7.918 262 HA LYS 35 HA LYS 35 -10.172 8.314 -5.108 263 HB2 LYS 35 1HB LYS 35 -9.267 6.794 -7.586 264 HB3 LYS 35 2HB LYS 35 -8.746 6.435 -5.945 265 HG2 LYS 35 1HG LYS 35 -11.604 6.291 -6.952 266 HG3 LYS 35 2HG LYS 35 -10.517 4.918 -6.711 267 HD2 LYS 35 1HD LYS 35 -11.144 6.833 -4.454 268 HD3 LYS 35 2HD LYS 35 -12.219 5.481 -4.838 269 HE2 LYS 35 1HE LYS 35 -10.364 3.894 -4.526 270 HE3 LYS 35 2HE LYS 35 -9.256 5.229 -4.198 271 HZ1 LYS 35 1HZ LYS 35 -10.042 4.220 -2.185 272 HZ2 LYS 35 2HZ LYS 35 -10.578 5.777 -2.272 273 HZ3 LYS 35 3HZ LYS 35 -11.613 4.530 -2.577 274 H SER 36 H SER 36 -8.971 9.685 -8.088 275 HA SER 36 HA SER 36 -6.238 9.999 -7.281 276 HB2 SER 36 1HB SER 36 -6.039 11.483 -9.129 277 HB3 SER 36 2HB SER 36 -7.174 10.235 -9.619 278 HG SER 36 HG SER 36 -8.789 11.785 -8.733 279 H GLU 37 H GLU 37 -9.160 11.633 -6.396 280 HA GLU 37 HA GLU 37 -7.902 14.029 -5.372 281 HB2 GLU 37 1HB GLU 37 -10.568 12.694 -4.762 282 HB3 GLU 37 2HB GLU 37 -10.073 14.232 -4.070 283 HG2 GLU 37 1HG GLU 37 -9.910 15.197 -6.331 284 HG3 GLU 37 2HG GLU 37 -10.415 13.656 -7.021 285 H GLU 38 H GLU 38 -8.310 10.773 -4.214 286 HA GLU 38 HA GLU 38 -7.692 11.512 -1.435 287 HB2 GLU 38 1HB GLU 38 -8.050 8.811 -2.794 288 HB3 GLU 38 2HB GLU 38 -7.737 9.023 -1.077 289 HG2 GLU 38 1HG GLU 38 -9.834 10.238 -0.810 290 HG3 GLU 38 2HG GLU 38 -10.140 10.133 -2.542 291 H ILE 39 H ILE 39 -6.038 10.451 -4.307 292 HA ILE 39 HA ILE 39 -3.646 9.533 -2.959 293 HB ILE 39 HB ILE 39 -4.150 10.396 -5.837 294 HG12 ILE 39 1HG1 ILE 39 -3.768 7.630 -4.677 295 HG13 ILE 39 2HG1 ILE 39 -5.339 8.360 -4.971 296 HG21 ILE 39 1HG2 ILE 39 -1.987 9.334 -6.338 297 HG22 ILE 39 2HG2 ILE 39 -1.781 10.712 -5.233 298 HG23 ILE 39 3HG2 ILE 39 -1.718 9.050 -4.603 299 HD11 ILE 39 1HD1 ILE 39 -4.708 6.875 -6.789 300 HD12 ILE 39 2HD1 ILE 39 -4.814 8.557 -7.363 301 HD13 ILE 39 3HD1 ILE 39 -3.224 7.816 -7.066 302 H THR 40 H THR 40 -2.014 10.639 -2.145 303 HA THR 40 HA THR 40 -1.954 13.576 -2.681 304 HB THR 40 HB THR 40 -0.829 13.798 -0.481 305 HG1 THR 40 HG1 THR 40 -0.233 12.069 0.625 306 HG21 THR 40 1HG2 THR 40 -2.765 13.230 0.933 307 HG22 THR 40 2HG2 THR 40 -3.292 13.956 -0.604 308 HG23 THR 40 3HG2 THR 40 -3.413 12.197 -0.362 309 H THR 41 H THR 41 -0.033 10.625 -2.453 310 HA THR 41 HA THR 41 2.274 12.155 -3.585 311 HB THR 41 HB THR 41 3.804 10.658 -2.402 312 HG1 THR 41 HG1 THR 41 3.108 8.836 -1.580 313 HG21 THR 41 1HG2 THR 41 3.320 11.317 -0.079 314 HG22 THR 41 2HG2 THR 41 3.016 12.667 -1.199 315 HG23 THR 41 3HG2 THR 41 1.652 11.734 -0.539 316 H GLY 42 H GLY 42 3.938 10.466 -4.512 317 HA2 GLY 42 1HA GLY 42 2.540 9.077 -6.672 318 HA3 GLY 42 2HA GLY 42 4.277 9.206 -6.461 319 H SER 43 H SER 43 4.145 8.246 -3.642 320 HA SER 43 HA SER 43 4.127 5.389 -4.072 321 HB2 SER 43 1HB SER 43 4.544 5.234 -1.688 322 HB3 SER 43 2HB SER 43 5.536 6.512 -2.372 323 HG SER 43 HG SER 43 4.294 6.903 -0.379 324 H ALA 44 H ALA 44 1.814 7.732 -2.768 325 HA ALA 44 HA ALA 44 -0.171 5.793 -2.029 326 HB1 ALA 44 1HB ALA 44 -1.744 7.700 -2.131 327 HB2 ALA 44 2HB ALA 44 -0.258 8.117 -1.242 328 HB3 ALA 44 3HB ALA 44 -0.486 8.685 -2.913 329 H TRP 45 H TRP 45 0.353 7.689 -5.012 330 HA TRP 45 HA TRP 45 -1.749 6.641 -6.551 331 HB2 TRP 45 1HB TRP 45 -0.225 8.468 -7.282 332 HB3 TRP 45 2HB TRP 45 1.078 7.303 -7.470 333 HD1 TRP 45 HD1 TRP 45 0.867 5.530 -9.530 334 HE1 TRP 45 HE1 TRP 45 -0.409 5.675 -11.774 335 HE3 TRP 45 HE3 TRP 45 -2.353 9.347 -8.360 336 HZ2 TRP 45 HZ2 TRP 45 -2.506 7.212 -12.875 337 HZ3 TRP 45 HZ3 TRP 45 -3.969 10.108 -10.054 338 HH2 TRP 45 HH2 TRP 45 -4.052 9.060 -12.278 339 H PHE 46 H PHE 46 1.577 5.363 -6.189 340 HA PHE 46 HA PHE 46 1.260 3.058 -7.782 341 HB2 PHE 46 1HB PHE 46 3.430 3.845 -6.864 342 HB3 PHE 46 2HB PHE 46 2.918 3.381 -5.249 343 HD1 PHE 46 HD1 PHE 46 3.920 2.136 -8.564 344 HD2 PHE 46 HD2 PHE 46 2.913 1.087 -4.547 345 HE1 PHE 46 HE1 PHE 46 4.816 -0.138 -8.935 346 HE2 PHE 46 HE2 PHE 46 3.811 -1.189 -4.913 347 HZ PHE 46 HZ PHE 46 4.761 -1.800 -7.109 348 H SER 47 H SER 47 0.586 3.541 -4.313 349 HA SER 47 HA SER 47 -0.129 0.864 -3.719 350 HB2 SER 47 1HB SER 47 -1.127 3.473 -2.529 351 HB3 SER 47 2HB SER 47 -1.428 1.887 -1.835 352 HG SER 47 HG SER 47 1.006 3.221 -2.216 353 H PHE 48 H PHE 48 -2.037 3.557 -5.022 354 HA PHE 48 HA PHE 48 -4.568 2.195 -4.843 355 HB2 PHE 48 1HB PHE 48 -3.548 4.621 -6.323 356 HB3 PHE 48 2HB PHE 48 -5.134 3.971 -6.708 357 HD1 PHE 48 HD1 PHE 48 -3.381 4.260 -3.420 358 HD2 PHE 48 HD2 PHE 48 -6.678 5.461 -5.857 359 HE1 PHE 48 HE1 PHE 48 -4.349 5.485 -1.504 360 HE2 PHE 48 HE2 PHE 48 -7.648 6.690 -3.944 361 HZ PHE 48 HZ PHE 48 -6.483 6.700 -1.765 362 H LEU 49 H LEU 49 -2.055 2.417 -7.325 363 HA LEU 49 HA LEU 49 -3.459 1.149 -9.440 364 HB2 LEU 49 1HB LEU 49 -0.521 1.180 -8.682 365 HB3 LEU 49 2HB LEU 49 -1.122 0.412 -10.155 366 HG LEU 49 HG LEU 49 -1.474 3.357 -9.492 367 HD11 LEU 49 1HD1 LEU 49 0.302 3.721 -11.149 368 HD12 LEU 49 2HD1 LEU 49 0.886 2.783 -9.754 369 HD13 LEU 49 3HD1 LEU 49 0.528 1.961 -11.292 370 HD21 LEU 49 1HD2 LEU 49 -2.089 3.498 -11.882 371 HD22 LEU 49 2HD2 LEU 49 -1.896 1.735 -12.037 372 HD23 LEU 49 3HD2 LEU 49 -3.183 2.403 -11.004 373 H GLU 50 H GLU 50 -1.600 -0.207 -6.722 374 HA GLU 50 HA GLU 50 -2.084 -2.955 -7.465 375 HB2 GLU 50 1HB GLU 50 -1.332 -1.638 -4.829 376 HB3 GLU 50 2HB GLU 50 -1.493 -3.378 -5.020 377 HG2 GLU 50 1HG GLU 50 0.273 -3.340 -6.749 378 HG3 GLU 50 2HG GLU 50 0.446 -1.601 -6.516 379 H SER 51 H SER 51 -3.746 -0.611 -5.379 380 HA SER 51 HA SER 51 -5.510 -2.482 -4.146 381 HB2 SER 51 1HB SER 51 -5.827 0.491 -4.673 382 HB3 SER 51 2HB SER 51 -6.889 -0.452 -3.640 383 HG SER 51 HG SER 51 -4.126 -0.025 -3.353 384 H HIS 52 H HIS 52 -5.700 -0.659 -7.169 385 HA HIS 52 HA HIS 52 -8.493 -1.590 -7.594 386 HB2 HIS 52 1HB HIS 52 -6.760 0.399 -9.103 387 HB3 HIS 52 2HB HIS 52 -8.384 -0.068 -9.592 388 HD1 HIS 52 HD1 HIS 52 -10.228 0.287 -7.465 389 HD2 HIS 52 HD2 HIS 52 -6.779 2.710 -7.461 390 HE1 HIS 52 HE1 HIS 52 -10.781 2.244 -6.111 391 H ASN 53 H ASN 53 -5.637 -2.987 -7.940 392 HA ASN 53 HA ASN 53 -4.748 -4.582 -9.345 393 HB2 ASN 53 1HB ASN 53 -7.668 -4.887 -10.121 394 HB3 ASN 53 2HB ASN 53 -6.393 -6.018 -10.553 395 HD21 ASN 53 1HD2 ASN 53 -8.304 -6.749 -7.278 396 HD22 ASN 53 2HD2 ASN 53 -8.880 -6.018 -8.739 397 H LYS 54 H LYS 54 -4.505 -1.992 -10.276 398 HA LYS 54 HA LYS 54 -5.018 -2.264 -13.202 399 HB2 LYS 54 1HB LYS 54 -4.324 0.202 -11.555 400 HB3 LYS 54 2HB LYS 54 -4.597 0.185 -13.293 401 HG2 LYS 54 1HG LYS 54 -6.658 -0.548 -11.190 402 HG3 LYS 54 2HG LYS 54 -6.551 0.999 -12.042 403 HD2 LYS 54 1HD LYS 54 -6.861 -0.203 -14.206 404 HD3 LYS 54 2HD LYS 54 -7.045 -1.720 -13.312 405 HE2 LYS 54 1HE LYS 54 -8.996 -0.749 -12.110 406 HE3 LYS 54 2HE LYS 54 -8.828 0.730 -13.059 407 HZ1 LYS 54 1HZ LYS 54 -10.473 -0.729 -13.983 408 HZ2 LYS 54 2HZ LYS 54 -9.217 -0.566 -15.040 409 HZ3 LYS 54 3HZ LYS 54 -9.376 -1.947 -14.154 410 H LEU 55 H LEU 55 -2.566 -2.301 -10.795 411 HA LEU 55 HA LEU 55 -0.383 -1.459 -12.504 412 HB2 LEU 55 1HB LEU 55 -0.370 -1.340 -9.999 413 HB3 LEU 55 2HB LEU 55 -0.301 -3.105 -9.949 414 HG LEU 55 HG LEU 55 1.892 -3.036 -11.114 415 HD11 LEU 55 1HD1 LEU 55 3.038 -0.880 -11.373 416 HD12 LEU 55 2HD1 LEU 55 1.555 -0.959 -12.354 417 HD13 LEU 55 3HD1 LEU 55 1.567 -0.035 -10.833 418 HD21 LEU 55 1HD2 LEU 55 3.154 -2.123 -9.195 419 HD22 LEU 55 2HD2 LEU 55 1.685 -1.294 -8.624 420 HD23 LEU 55 3HD2 LEU 55 1.751 -3.073 -8.646 421 H ASP 56 H ASP 56 -0.870 -2.780 -14.378 422 HA ASP 56 HA ASP 56 0.716 -5.254 -14.240 423 HB2 ASP 56 1HB ASP 56 -1.888 -5.688 -13.884 424 HB3 ASP 56 2HB ASP 56 -1.944 -5.483 -15.630 425 H LYS 57 H LYS 57 0.833 -6.253 -16.535 426 HA LYS 57 HA LYS 57 2.060 -4.224 -18.140 427 HB2 LYS 57 1HB LYS 57 1.338 -7.116 -18.749 428 HB3 LYS 57 2HB LYS 57 2.262 -6.093 -19.841 429 HG2 LYS 57 1HG LYS 57 3.999 -5.819 -18.086 430 HG3 LYS 57 2HG LYS 57 3.078 -6.904 -17.036 431 HD2 LYS 57 1HD LYS 57 3.273 -8.705 -18.724 432 HD3 LYS 57 2HD LYS 57 4.196 -7.619 -19.773 433 HE2 LYS 57 1HE LYS 57 5.937 -7.413 -18.025 434 HE3 LYS 57 2HE LYS 57 5.019 -8.503 -16.982 435 HZ1 LYS 57 1HZ LYS 57 6.748 -9.653 -18.156 436 HZ2 LYS 57 2HZ LYS 57 5.275 -10.214 -18.644 437 HZ3 LYS 57 3HZ LYS 57 6.134 -9.198 -19.617 438 H ASP 58 H ASP 58 -0.166 -3.203 -20.605 439 HA ASP 58 HA ASP 58 2.598 -3.947 -19.853 440 HB2 ASP 58 1HB ASP 58 1.496 -2.076 -21.986 441 HB3 ASP 58 2HB ASP 58 3.211 -2.327 -21.691 442 H ASN 59 H ASN 59 0.321 -2.065 -18.518 443 HA ASN 59 HA ASN 59 1.612 0.506 -18.375 444 HB2 ASN 59 1HB ASN 59 -0.584 -0.795 -16.743 445 HB3 ASN 59 2HB ASN 59 -0.011 0.838 -16.433 446 HD21 ASN 59 1HD2 ASN 59 -2.873 1.343 -18.567 447 HD22 ASN 59 2HD2 ASN 59 -2.484 0.919 -16.933 448 H LEU 60 H LEU 60 1.863 -2.439 -16.502 449 HA LEU 60 HA LEU 60 3.206 -1.508 -14.224 450 HB2 LEU 60 1HB LEU 60 2.601 -3.846 -14.512 451 HB3 LEU 60 2HB LEU 60 3.698 -4.003 -15.887 452 HG LEU 60 HG LEU 60 5.625 -3.612 -14.345 453 HD11 LEU 60 1HD1 LEU 60 5.226 -3.732 -11.926 454 HD12 LEU 60 2HD1 LEU 60 4.442 -2.309 -12.651 455 HD13 LEU 60 3HD1 LEU 60 3.471 -3.735 -12.215 456 HD21 LEU 60 1HD2 LEU 60 5.479 -5.834 -13.273 457 HD22 LEU 60 2HD2 LEU 60 3.726 -5.869 -13.581 458 HD23 LEU 60 3HD2 LEU 60 4.870 -5.889 -14.945 459 H SER 61 H SER 61 4.589 -2.345 -17.417 460 HA SER 61 HA SER 61 7.268 -1.584 -16.657 461 HB2 SER 61 1HB SER 61 7.812 -1.903 -18.982 462 HB3 SER 61 2HB SER 61 6.716 -3.184 -18.488 463 HG SER 61 HG SER 61 5.039 -1.663 -19.270 464 H TYR 62 H TYR 62 4.503 0.107 -17.985 465 HA TYR 62 HA TYR 62 5.949 2.459 -18.825 466 HB2 TYR 62 1HB TYR 62 3.029 2.059 -18.062 467 HB3 TYR 62 2HB TYR 62 3.678 3.539 -18.755 468 HD1 TYR 62 HD1 TYR 62 5.685 1.533 -20.440 469 HD2 TYR 62 HD2 TYR 62 1.459 2.163 -20.038 470 HE1 TYR 62 HE1 TYR 62 5.333 0.624 -22.711 471 HE2 TYR 62 HE2 TYR 62 1.108 1.254 -22.309 472 HH TYR 62 HH TYR 62 2.059 0.362 -24.101 473 H ILE 63 H ILE 63 4.293 1.522 -15.822 474 HA ILE 63 HA ILE 63 4.772 3.979 -14.439 475 HB ILE 63 HB ILE 63 4.343 1.137 -13.440 476 HG12 ILE 63 1HG1 ILE 63 2.444 2.129 -14.597 477 HG13 ILE 63 2HG1 ILE 63 2.118 1.934 -12.881 478 HG21 ILE 63 1HG2 ILE 63 3.979 2.138 -11.221 479 HG22 ILE 63 2HG2 ILE 63 5.646 2.409 -11.778 480 HG23 ILE 63 3HG2 ILE 63 4.457 3.730 -11.855 481 HD11 ILE 63 1HD1 ILE 63 1.273 4.062 -13.698 482 HD12 ILE 63 2HD1 ILE 63 2.574 4.320 -12.510 483 HD13 ILE 63 3HD1 ILE 63 2.902 4.518 -14.249 484 H GLU 64 H GLU 64 6.636 0.946 -14.653 485 HA GLU 64 HA GLU 64 8.802 1.713 -13.001 486 HB2 GLU 64 1HB GLU 64 8.466 -0.577 -13.920 487 HB3 GLU 64 2HB GLU 64 8.862 0.013 -15.528 488 HG2 GLU 64 1HG GLU 64 11.124 0.600 -14.764 489 HG3 GLU 64 2HG GLU 64 10.728 0.024 -13.147 490 H HIS 65 H HIS 65 8.356 2.156 -16.523 491 HA HIS 65 HA HIS 65 10.754 3.535 -17.073 492 HB2 HIS 65 1HB HIS 65 9.253 2.824 -18.853 493 HB3 HIS 65 2HB HIS 65 7.985 3.895 -18.272 494 HD1 HIS 65 HD1 HIS 65 11.471 4.055 -19.799 495 HD2 HIS 65 HD2 HIS 65 8.061 6.506 -19.434 496 HE1 HIS 65 HE1 HIS 65 11.946 6.069 -21.099 497 H ILE 66 H ILE 66 7.613 4.863 -16.010 498 HA ILE 66 HA ILE 66 8.382 7.583 -15.995 499 HB ILE 66 HB ILE 66 6.361 6.063 -14.306 500 HG12 ILE 66 1HG1 ILE 66 5.929 7.998 -16.588 501 HG13 ILE 66 2HG1 ILE 66 6.056 6.259 -16.805 502 HG21 ILE 66 1HG2 ILE 66 5.442 8.262 -13.690 503 HG22 ILE 66 2HG2 ILE 66 7.101 8.069 -13.079 504 HG23 ILE 66 3HG2 ILE 66 6.796 9.065 -14.521 505 HD11 ILE 66 1HD1 ILE 66 3.731 6.965 -16.719 506 HD12 ILE 66 2HD1 ILE 66 4.120 5.920 -15.330 507 HD13 ILE 66 3HD1 ILE 66 3.990 7.681 -15.111 508 H PHE 67 H PHE 67 8.679 5.089 -13.475 509 HA PHE 67 HA PHE 67 9.733 6.844 -11.467 510 HB2 PHE 67 1HB PHE 67 9.980 3.839 -11.869 511 HB3 PHE 67 2HB PHE 67 10.598 4.679 -10.455 512 HD1 PHE 67 HD1 PHE 67 7.983 6.662 -10.932 513 HD2 PHE 67 HD2 PHE 67 8.707 2.535 -10.095 514 HE1 PHE 67 HE1 PHE 67 5.762 6.491 -9.858 515 HE2 PHE 67 HE2 PHE 67 6.486 2.360 -9.023 516 HZ PHE 67 HZ PHE 67 5.014 4.341 -8.903 517 H GLU 68 H GLU 68 11.219 4.945 -14.059 518 HA GLU 68 HA GLU 68 13.938 5.417 -13.279 519 HB2 GLU 68 1HB GLU 68 12.652 4.794 -15.963 520 HB3 GLU 68 2HB GLU 68 14.390 4.950 -15.753 521 HG2 GLU 68 1HG GLU 68 14.396 3.095 -14.166 522 HG3 GLU 68 2HG GLU 68 12.643 2.963 -14.286 523 H ILE 69 H ILE 69 11.652 7.211 -15.319 524 HA ILE 69 HA ILE 69 13.495 9.213 -16.189 525 HB ILE 69 HB ILE 69 10.474 9.277 -15.815 526 HG12 ILE 69 1HG1 ILE 69 11.255 7.700 -17.493 527 HG13 ILE 69 2HG1 ILE 69 10.418 9.055 -18.237 528 HG21 ILE 69 1HG2 ILE 69 10.514 11.319 -17.190 529 HG22 ILE 69 2HG2 ILE 69 11.390 11.559 -15.660 530 HG23 ILE 69 3HG2 ILE 69 12.294 11.301 -17.171 531 HD11 ILE 69 1HD1 ILE 69 12.395 8.439 -19.511 532 HD12 ILE 69 2HD1 ILE 69 12.572 10.075 -18.833 533 HD13 ILE 69 3HD1 ILE 69 13.420 8.703 -18.081 534 H SER 70 H SER 70 11.348 9.005 -13.356 535 HA SER 70 HA SER 70 12.145 11.590 -12.321 536 HB2 SER 70 1HB SER 70 10.891 10.988 -10.370 537 HB3 SER 70 2HB SER 70 9.998 10.418 -11.771 538 HG SER 70 HG SER 70 11.608 8.500 -11.168 539 H ARG 71 H ARG 71 13.520 8.425 -12.294 540 HA ARG 71 HA ARG 71 15.462 7.608 -11.369 541 HB2 ARG 71 1HB ARG 71 16.057 10.539 -10.842 542 HB3 ARG 71 2HB ARG 71 17.222 9.228 -10.730 543 HG2 ARG 71 1HG ARG 71 16.913 8.771 -13.146 544 HG3 ARG 71 2HG ARG 71 15.801 10.158 -13.237 545 HD2 ARG 71 1HD ARG 71 17.583 11.625 -12.468 546 HD3 ARG 71 2HD ARG 71 18.692 10.235 -12.406 547 HE ARG 71 HE ARG 71 17.594 10.320 -14.985 548 HH11 ARG 71 1HH1 ARG 71 19.656 12.290 -12.933 549 HH12 ARG 71 2HH1 ARG 71 20.536 12.988 -14.274 550 HH21 ARG 71 1HH2 ARG 71 18.744 11.233 -16.717 551 HH22 ARG 71 2HH2 ARG 71 20.021 12.390 -16.416 552 H ARG 72 H ARG 72 13.392 7.251 -9.751 553 HA ARG 72 HA ARG 72 14.391 8.073 -7.055 554 HB2 ARG 72 1HB ARG 72 12.186 9.043 -7.604 555 HB3 ARG 72 2HB ARG 72 11.547 7.435 -7.911 556 HG2 ARG 72 1HG ARG 72 10.791 7.977 -5.771 557 HG3 ARG 72 2HG ARG 72 12.180 6.903 -5.477 558 HD2 ARG 72 1HD ARG 72 13.595 8.835 -5.093 559 HD3 ARG 72 2HD ARG 72 12.210 9.911 -5.391 560 HE ARG 72 HE ARG 72 12.742 8.310 -3.012 561 HH11 ARG 72 1HH1 ARG 72 10.377 10.149 -4.848 562 HH12 ARG 72 2HH1 ARG 72 9.341 10.433 -3.468 563 HH21 ARG 72 1HH2 ARG 72 11.389 8.686 -1.228 564 HH22 ARG 72 2HH2 ARG 72 9.912 9.605 -1.419 565 HA PRO 73 HA PRO 73 15.290 3.680 -7.161 566 HB2 PRO 73 1HB PRO 73 16.305 4.522 -4.415 567 HB3 PRO 73 2HB PRO 73 17.069 3.457 -5.601 568 HG2 PRO 73 1HG PRO 73 17.950 5.958 -5.410 569 HG3 PRO 73 2HG PRO 73 17.718 5.261 -7.015 570 HD2 PRO 73 1HD PRO 73 15.924 7.173 -5.476 571 HD3 PRO 73 2HD PRO 73 16.350 7.173 -7.234 572 H ASP 74 H ASP 74 13.790 5.581 -4.560 573 HA ASP 74 HA ASP 74 12.772 3.444 -2.995 574 HB2 ASP 74 1HB ASP 74 11.726 6.262 -3.452 575 HB3 ASP 74 2HB ASP 74 11.035 5.157 -2.273 576 H LEU 75 H LEU 75 11.228 5.289 -5.643 577 HA LEU 75 HA LEU 75 8.831 3.665 -5.577 578 HB2 LEU 75 1HB LEU 75 9.930 5.629 -7.616 579 HB3 LEU 75 2HB LEU 75 8.363 4.829 -7.775 580 HG LEU 75 HG LEU 75 9.126 6.655 -5.470 581 HD11 LEU 75 1HD1 LEU 75 7.699 8.309 -6.589 582 HD12 LEU 75 2HD1 LEU 75 9.102 7.867 -7.590 583 HD13 LEU 75 3HD1 LEU 75 7.495 7.201 -7.966 584 HD21 LEU 75 1HD2 LEU 75 6.694 6.609 -5.039 585 HD22 LEU 75 2HD2 LEU 75 6.474 5.477 -6.395 586 HD23 LEU 75 3HD2 LEU 75 7.389 4.973 -4.954 587 H LEU 76 H LEU 76 11.834 3.655 -7.445 588 HA LEU 76 HA LEU 76 11.089 1.674 -9.349 589 HB2 LEU 76 1HB LEU 76 13.753 2.436 -8.120 590 HB3 LEU 76 2HB LEU 76 13.604 1.204 -9.377 591 HG LEU 76 HG LEU 76 12.711 4.086 -9.724 592 HD11 LEU 76 1HD1 LEU 76 14.784 4.369 -11.008 593 HD12 LEU 76 2HD1 LEU 76 15.114 3.979 -9.303 594 HD13 LEU 76 3HD1 LEU 76 15.289 2.724 -10.554 595 HD21 LEU 76 1HD2 LEU 76 12.723 3.458 -12.115 596 HD22 LEU 76 2HD2 LEU 76 13.199 1.800 -11.677 597 HD23 LEU 76 3HD2 LEU 76 11.607 2.426 -11.187 598 H THR 77 H THR 77 12.462 1.416 -6.076 599 HA THR 77 HA THR 77 12.739 -1.404 -6.001 600 HB THR 77 HB THR 77 12.023 0.517 -3.744 601 HG1 THR 77 HG1 THR 77 14.016 1.025 -4.623 602 HG21 THR 77 1HG2 THR 77 12.903 -1.245 -2.265 603 HG22 THR 77 2HG2 THR 77 11.493 -1.829 -3.180 604 HG23 THR 77 3HG2 THR 77 13.133 -2.314 -3.668 605 H MET 78 H MET 78 9.928 0.674 -5.373 606 HA MET 78 HA MET 78 8.229 -1.370 -4.352 607 HB2 MET 78 1HB MET 78 7.600 1.222 -5.810 608 HB3 MET 78 2HB MET 78 6.373 0.201 -5.073 609 HG2 MET 78 1HG MET 78 7.384 0.535 -2.868 610 HG3 MET 78 2HG MET 78 8.675 1.500 -3.586 611 HE1 MET 78 1HE MET 78 6.884 4.427 -1.904 612 HE2 MET 78 2HE MET 78 7.355 2.835 -1.258 613 HE3 MET 78 3HE MET 78 8.442 3.704 -2.370 614 H VAL 79 H VAL 79 8.588 -0.097 -7.675 615 HA VAL 79 HA VAL 79 6.449 -1.754 -8.680 616 HB VAL 79 HB VAL 79 7.298 0.474 -9.642 617 HG11 VAL 79 1HG1 VAL 79 9.104 0.340 -11.287 618 HG12 VAL 79 2HG1 VAL 79 9.671 -0.040 -9.643 619 HG13 VAL 79 3HG1 VAL 79 9.404 -1.351 -10.817 620 HG21 VAL 79 1HG2 VAL 79 6.781 -0.213 -11.962 621 HG22 VAL 79 2HG2 VAL 79 7.007 -1.918 -11.504 622 HG23 VAL 79 3HG2 VAL 79 5.670 -0.977 -10.801 623 H VAL 80 H VAL 80 9.948 -2.073 -8.445 624 HA VAL 80 HA VAL 80 10.115 -4.435 -10.110 625 HB VAL 80 HB VAL 80 11.958 -3.278 -7.980 626 HG11 VAL 80 1HG1 VAL 80 13.661 -4.837 -8.791 627 HG12 VAL 80 2HG1 VAL 80 12.274 -5.683 -8.064 628 HG13 VAL 80 3HG1 VAL 80 12.449 -5.616 -9.834 629 HG21 VAL 80 1HG2 VAL 80 13.328 -2.668 -9.949 630 HG22 VAL 80 2HG2 VAL 80 12.100 -3.379 -11.022 631 HG23 VAL 80 3HG2 VAL 80 11.706 -1.943 -10.044 632 H ASP 81 H ASP 81 9.964 -3.864 -6.583 633 HA ASP 81 HA ASP 81 10.039 -6.553 -5.741 634 HB2 ASP 81 1HB ASP 81 10.111 -4.533 -4.246 635 HB3 ASP 81 2HB ASP 81 8.390 -4.304 -4.519 636 H TYR 82 H TYR 82 7.251 -4.560 -6.733 637 HA TYR 82 HA TYR 82 5.233 -6.489 -6.281 638 HB2 TYR 82 1HB TYR 82 4.665 -4.185 -6.796 639 HB3 TYR 82 2HB TYR 82 5.447 -4.287 -8.367 640 HD1 TYR 82 HD1 TYR 82 2.557 -5.439 -6.364 641 HD2 TYR 82 HD2 TYR 82 4.338 -5.209 -10.260 642 HE1 TYR 82 HE1 TYR 82 0.415 -6.134 -7.385 643 HE2 TYR 82 HE2 TYR 82 2.197 -5.904 -11.281 644 HH TYR 82 HH TYR 82 -0.026 -6.177 -10.888 645 H ARG 83 H ARG 83 7.101 -5.847 -9.266 646 HA ARG 83 HA ARG 83 5.794 -7.804 -10.845 647 HB2 ARG 83 1HB ARG 83 7.204 -6.054 -11.813 648 HB3 ARG 83 2HB ARG 83 8.628 -6.728 -11.036 649 HG2 ARG 83 1HG ARG 83 8.608 -8.650 -12.437 650 HG3 ARG 83 2HG ARG 83 6.982 -8.266 -13.053 651 HD2 ARG 83 1HD ARG 83 8.692 -7.705 -14.663 652 HD3 ARG 83 2HD ARG 83 7.854 -6.247 -14.085 653 HE ARG 83 HE ARG 83 10.345 -6.954 -12.715 654 HH11 ARG 83 1HH1 ARG 83 8.752 -5.025 -15.181 655 HH12 ARG 83 2HH1 ARG 83 10.031 -3.833 -15.253 656 HH21 ARG 83 1HH2 ARG 83 11.999 -5.401 -12.817 657 HH22 ARG 83 2HH2 ARG 83 11.869 -4.045 -13.916 658 H THR 84 H THR 84 8.718 -8.016 -8.819 659 HA THR 84 HA THR 84 9.258 -10.757 -9.636 660 HB THR 84 HB THR 84 11.022 -10.687 -7.887 661 HG1 THR 84 HG1 THR 84 9.979 -8.080 -7.347 662 HG21 THR 84 1HG2 THR 84 12.347 -8.846 -8.851 663 HG22 THR 84 2HG2 THR 84 11.483 -9.743 -10.123 664 HG23 THR 84 3HG2 THR 84 10.875 -8.161 -9.578 665 H ARG 85 H ARG 85 7.467 -9.186 -7.081 666 HA ARG 85 HA ARG 85 7.227 -11.513 -5.390 667 HB2 ARG 85 1HB ARG 85 6.813 -9.172 -4.628 668 HB3 ARG 85 2HB ARG 85 5.373 -9.119 -5.633 669 HG2 ARG 85 1HG ARG 85 4.344 -10.895 -4.312 670 HG3 ARG 85 2HG ARG 85 5.819 -11.026 -3.323 671 HD2 ARG 85 1HD ARG 85 4.079 -8.585 -3.590 672 HD3 ARG 85 2HD ARG 85 4.095 -9.721 -2.222 673 HE ARG 85 HE ARG 85 6.062 -7.665 -2.851 674 HH11 ARG 85 1HH1 ARG 85 5.351 -10.585 -1.034 675 HH12 ARG 85 2HH1 ARG 85 6.583 -10.286 0.171 676 HH21 ARG 85 1HH2 ARG 85 7.660 -7.286 -1.282 677 HH22 ARG 85 2HH2 ARG 85 7.891 -8.419 0.031 678 H VAL 86 H VAL 86 5.185 -10.069 -7.935 679 HA VAL 86 HA VAL 86 3.078 -12.023 -7.625 680 HB VAL 86 HB VAL 86 3.742 -10.085 -9.880 681 HG11 VAL 86 1HG1 VAL 86 1.475 -10.500 -10.702 682 HG12 VAL 86 2HG1 VAL 86 2.487 -11.964 -10.765 683 HG13 VAL 86 3HG1 VAL 86 1.268 -11.777 -9.480 684 HG21 VAL 86 1HG2 VAL 86 1.850 -8.804 -8.930 685 HG22 VAL 86 2HG2 VAL 86 1.663 -10.030 -7.655 686 HG23 VAL 86 3HG2 VAL 86 3.138 -9.038 -7.725 687 H LEU 87 H LEU 87 5.793 -11.613 -9.903 688 HA LEU 87 HA LEU 87 4.983 -14.020 -11.383 689 HB2 LEU 87 1HB LEU 87 7.368 -12.162 -11.697 690 HB3 LEU 87 2HB LEU 87 6.971 -13.494 -12.788 691 HG LEU 87 HG LEU 87 5.251 -11.033 -12.312 692 HD11 LEU 87 1HD1 LEU 87 5.940 -10.425 -14.588 693 HD12 LEU 87 2HD1 LEU 87 7.332 -10.525 -13.485 694 HD13 LEU 87 3HD1 LEU 87 7.016 -11.840 -14.641 695 HD21 LEU 87 1HD2 LEU 87 3.954 -11.915 -14.224 696 HD22 LEU 87 2HD2 LEU 87 5.002 -13.353 -14.272 697 HD23 LEU 87 3HD2 LEU 87 3.953 -13.064 -12.864 698 H LYS 88 H LYS 88 6.730 -13.383 -8.599 699 HA LYS 88 HA LYS 88 8.089 -14.694 -7.284 700 HB2 LYS 88 1HB LYS 88 7.216 -16.919 -9.172 701 HB3 LYS 88 2HB LYS 88 8.011 -17.150 -7.621 702 HG2 LYS 88 1HG LYS 88 6.075 -16.091 -6.486 703 HG3 LYS 88 2HG LYS 88 5.274 -15.920 -8.055 704 HD2 LYS 88 1HD LYS 88 5.379 -18.385 -8.360 705 HD3 LYS 88 2HD LYS 88 6.135 -18.537 -6.766 706 HE2 LYS 88 1HE LYS 88 4.140 -17.541 -5.714 707 HE3 LYS 88 2HE LYS 88 3.385 -17.352 -7.298 708 HZ1 LYS 88 1HZ LYS 88 2.617 -19.316 -6.184 709 HZ2 LYS 88 2HZ LYS 88 3.445 -19.738 -7.547 710 HZ3 LYS 88 3HZ LYS 88 4.148 -19.915 -6.067 711 H ILE 89 H ILE 89 9.615 -13.209 -8.676 712 HA ILE 89 HA ILE 89 11.415 -14.872 -10.353 713 HB ILE 89 HB ILE 89 11.273 -11.853 -9.957 714 HG12 ILE 89 1HG1 ILE 89 10.554 -13.504 -12.386 715 HG13 ILE 89 2HG1 ILE 89 9.383 -12.948 -11.201 716 HG21 ILE 89 1HG2 ILE 89 12.883 -11.750 -11.816 717 HG22 ILE 89 2HG2 ILE 89 13.572 -12.613 -10.422 718 HG23 ILE 89 3HG2 ILE 89 12.986 -13.527 -11.831 719 HD11 ILE 89 1HD1 ILE 89 9.439 -11.476 -13.134 720 HD12 ILE 89 2HD1 ILE 89 9.988 -10.614 -11.677 721 HD13 ILE 89 3HD1 ILE 89 11.174 -11.177 -12.878 722 H SER 90 H SER 90 13.178 -15.718 -9.533 723 HA SER 90 HA SER 90 14.891 -14.198 -7.740 724 HB2 SER 90 1HB SER 90 13.251 -15.015 -6.117 725 HB3 SER 90 2HB SER 90 13.453 -16.661 -6.698 726 HG SER 90 HG SER 90 15.238 -15.020 -5.312 Start of MODEL 8 1 H1 MET 1 1H MET 1 -1.971 16.876 -6.653 2 H2 MET 1 2H MET 1 -0.818 18.031 -6.698 3 H3 MET 1 3H MET 1 -1.515 17.518 -8.083 4 HA MET 1 HA MET 1 0.178 15.942 -6.315 5 HB2 MET 1 1HB MET 1 -1.156 15.231 -8.956 6 HB3 MET 1 2HB MET 1 0.029 14.230 -8.130 7 HG2 MET 1 1HG MET 1 -1.500 13.988 -6.214 8 HG3 MET 1 2HG MET 1 -2.689 15.007 -7.031 9 HE1 MET 1 1HE MET 1 -3.960 12.847 -9.949 10 HE2 MET 1 2HE MET 1 -4.251 14.265 -8.910 11 HE3 MET 1 3HE MET 1 -2.817 14.212 -9.965 12 H ALA 2 H ALA 2 1.557 17.906 -6.550 13 HA ALA 2 HA ALA 2 2.536 18.726 -9.093 14 HB1 ALA 2 1HB ALA 2 4.353 19.808 -7.811 15 HB2 ALA 2 2HB ALA 2 2.760 20.108 -7.077 16 HB3 ALA 2 3HB ALA 2 3.858 18.905 -6.362 17 H GLU 3 H GLU 3 3.775 16.359 -6.744 18 HA GLU 3 HA GLU 3 6.185 15.734 -8.101 19 HB2 GLU 3 1HB GLU 3 5.655 14.999 -5.789 20 HB3 GLU 3 2HB GLU 3 4.418 13.916 -6.411 21 HG2 GLU 3 1HG GLU 3 6.118 12.620 -7.601 22 HG3 GLU 3 2HG GLU 3 7.371 13.727 -7.044 23 H TYR 4 H TYR 4 2.964 14.190 -8.318 24 HA TYR 4 HA TYR 4 3.684 12.282 -10.303 25 HB2 TYR 4 1HB TYR 4 1.596 12.168 -8.966 26 HB3 TYR 4 2HB TYR 4 0.985 13.597 -9.791 27 HD1 TYR 4 HD1 TYR 4 2.639 10.421 -10.926 28 HD2 TYR 4 HD2 TYR 4 -0.700 13.095 -11.258 29 HE1 TYR 4 HE1 TYR 4 1.667 8.988 -12.689 30 HE2 TYR 4 HE2 TYR 4 -1.672 11.661 -13.022 31 HH TYR 4 HH TYR 4 -0.068 8.658 -14.043 32 H GLY 5 H GLY 5 2.593 15.640 -10.553 33 HA2 GLY 5 1HA GLY 5 2.189 15.812 -13.337 34 HA3 GLY 5 2HA GLY 5 2.745 17.130 -12.322 35 H THR 6 H THR 6 5.199 16.144 -11.433 36 HA THR 6 HA THR 6 6.835 16.661 -13.768 37 HB THR 6 HB THR 6 8.749 16.388 -12.216 38 HG1 THR 6 HG1 THR 6 6.804 15.096 -10.733 39 HG21 THR 6 1HG2 THR 6 8.158 18.188 -10.641 40 HG22 THR 6 2HG2 THR 6 7.538 18.541 -12.272 41 HG23 THR 6 3HG2 THR 6 6.434 17.948 -11.008 42 H LEU 7 H LEU 7 5.817 13.802 -12.011 43 HA LEU 7 HA LEU 7 7.656 11.975 -13.248 44 HB2 LEU 7 1HB LEU 7 4.897 11.613 -12.038 45 HB3 LEU 7 2HB LEU 7 5.862 10.268 -12.654 46 HG LEU 7 HG LEU 7 6.670 12.115 -10.379 47 HD11 LEU 7 1HD1 LEU 7 6.250 10.150 -8.968 48 HD12 LEU 7 2HD1 LEU 7 4.775 10.686 -9.805 49 HD13 LEU 7 3HD1 LEU 7 5.660 9.257 -10.389 50 HD21 LEU 7 1HD2 LEU 7 8.486 10.468 -10.064 51 HD22 LEU 7 2HD2 LEU 7 7.928 9.577 -11.501 52 HD23 LEU 7 3HD2 LEU 7 8.580 11.225 -11.673 53 H LEU 8 H LEU 8 4.435 13.184 -14.136 54 HA LEU 8 HA LEU 8 4.123 11.610 -16.496 55 HB2 LEU 8 1HB LEU 8 3.087 14.357 -15.732 56 HB3 LEU 8 2HB LEU 8 2.619 13.527 -17.219 57 HG LEU 8 HG LEU 8 2.137 12.432 -14.427 58 HD11 LEU 8 1HD1 LEU 8 -0.195 13.106 -14.795 59 HD12 LEU 8 2HD1 LEU 8 0.902 14.507 -14.786 60 HD13 LEU 8 3HD1 LEU 8 0.272 13.880 -16.327 61 HD21 LEU 8 1HD2 LEU 8 0.631 10.889 -15.633 62 HD22 LEU 8 2HD2 LEU 8 1.108 11.630 -17.180 63 HD23 LEU 8 3HD2 LEU 8 2.306 10.734 -16.215 64 H GLN 9 H GLN 9 5.758 14.694 -15.873 65 HA GLN 9 HA GLN 9 6.444 15.240 -18.602 66 HB2 GLN 9 1HB GLN 9 7.751 16.055 -15.979 67 HB3 GLN 9 2HB GLN 9 8.282 16.646 -17.548 68 HG2 GLN 9 1HG GLN 9 6.139 17.697 -17.940 69 HG3 GLN 9 2HG GLN 9 5.499 17.008 -16.422 70 HE21 GLN 9 1HE2 GLN 9 6.575 20.581 -15.945 71 HE22 GLN 9 2HE2 GLN 9 5.537 19.784 -17.081 72 H ASP 10 H ASP 10 8.016 13.360 -16.041 73 HA ASP 10 HA ASP 10 10.475 12.935 -17.441 74 HB2 ASP 10 1HB ASP 10 9.082 11.392 -15.225 75 HB3 ASP 10 2HB ASP 10 10.655 10.925 -15.857 76 H LEU 11 H LEU 11 7.342 11.362 -17.560 77 HA LEU 11 HA LEU 11 8.155 8.944 -18.834 78 HB2 LEU 11 1HB LEU 11 5.557 10.504 -18.847 79 HB3 LEU 11 2HB LEU 11 5.741 8.965 -19.694 80 HG LEU 11 HG LEU 11 6.156 9.329 -16.706 81 HD11 LEU 11 1HD1 LEU 11 3.961 8.254 -16.484 82 HD12 LEU 11 2HD1 LEU 11 3.847 9.810 -17.338 83 HD13 LEU 11 3HD1 LEU 11 3.766 8.286 -18.253 84 HD21 LEU 11 1HD2 LEU 11 6.037 6.860 -16.711 85 HD22 LEU 11 2HD2 LEU 11 5.871 6.871 -18.484 86 HD23 LEU 11 3HD2 LEU 11 7.379 7.437 -17.728 87 H THR 12 H THR 12 7.989 12.184 -19.977 88 HA THR 12 HA THR 12 7.299 11.600 -22.717 89 HB THR 12 HB THR 12 7.969 13.930 -23.172 90 HG1 THR 12 HG1 THR 12 9.076 13.725 -20.556 91 HG21 THR 12 1HG2 THR 12 6.457 15.056 -21.587 92 HG22 THR 12 2HG2 THR 12 5.765 13.512 -22.137 93 HG23 THR 12 3HG2 THR 12 6.503 13.632 -20.523 94 H ASN 13 H ASN 13 10.095 11.037 -20.930 95 HA ASN 13 HA ASN 13 12.109 11.537 -22.902 96 HB2 ASN 13 1HB ASN 13 11.959 9.624 -20.557 97 HB3 ASN 13 2HB ASN 13 13.379 9.749 -21.587 98 HD21 ASN 13 1HD2 ASN 13 13.749 11.966 -18.622 99 HD22 ASN 13 2HD2 ASN 13 13.417 10.282 -18.857 100 H ASN 14 H ASN 14 9.781 8.965 -22.499 101 HA ASN 14 HA ASN 14 10.966 7.607 -24.875 102 HB2 ASN 14 1HB ASN 14 10.036 6.274 -22.311 103 HB3 ASN 14 2HB ASN 14 10.411 5.417 -23.800 104 HD21 ASN 14 1HD2 ASN 14 13.308 6.363 -21.230 105 HD22 ASN 14 2HD2 ASN 14 11.616 6.500 -20.893 106 H ILE 15 H ILE 15 8.266 8.881 -23.270 107 HA ILE 15 HA ILE 15 6.433 7.407 -25.114 108 HB ILE 15 HB ILE 15 5.855 8.594 -22.366 109 HG12 ILE 15 1HG1 ILE 15 5.756 5.714 -23.284 110 HG13 ILE 15 2HG1 ILE 15 7.125 6.431 -22.450 111 HG21 ILE 15 1HG2 ILE 15 3.594 7.669 -22.675 112 HG22 ILE 15 2HG2 ILE 15 3.954 8.899 -23.908 113 HG23 ILE 15 3HG2 ILE 15 4.017 7.171 -24.329 114 HD11 ILE 15 1HD1 ILE 15 5.701 5.208 -20.905 115 HD12 ILE 15 2HD1 ILE 15 5.696 6.945 -20.518 116 HD13 ILE 15 3HD1 ILE 15 4.309 6.216 -21.362 117 H THR 16 H THR 16 5.176 8.515 -26.472 118 HA THR 16 HA THR 16 5.798 11.302 -26.913 119 HB THR 16 HB THR 16 4.184 11.173 -28.759 120 HG1 THR 16 HG1 THR 16 3.520 8.535 -28.428 121 HG21 THR 16 1HG2 THR 16 5.169 9.290 -30.006 122 HG22 THR 16 2HG2 THR 16 6.418 10.173 -29.097 123 HG23 THR 16 3HG2 THR 16 5.810 8.615 -28.491 124 H LEU 17 H LEU 17 4.161 13.007 -27.141 125 HA LEU 17 HA LEU 17 2.848 13.380 -24.626 126 HB2 LEU 17 1HB LEU 17 2.653 14.880 -27.258 127 HB3 LEU 17 2HB LEU 17 1.864 15.412 -25.770 128 HG LEU 17 HG LEU 17 4.864 15.089 -26.132 129 HD11 LEU 17 1HD1 LEU 17 4.887 17.543 -26.142 130 HD12 LEU 17 2HD1 LEU 17 3.957 16.888 -27.510 131 HD13 LEU 17 3HD1 LEU 17 3.108 17.560 -26.097 132 HD21 LEU 17 1HD2 LEU 17 4.957 16.285 -23.971 133 HD22 LEU 17 2HD2 LEU 17 3.179 16.285 -23.894 134 HD23 LEU 17 3HD2 LEU 17 4.073 14.748 -23.814 135 H GLU 18 H GLU 18 1.731 12.313 -27.800 136 HA GLU 18 HA GLU 18 -1.075 12.411 -27.200 137 HB2 GLU 18 1HB GLU 18 -0.303 12.252 -29.505 138 HB3 GLU 18 2HB GLU 18 0.517 10.733 -29.177 139 HG2 GLU 18 1HG GLU 18 -1.509 10.287 -30.366 140 HG3 GLU 18 2HG GLU 18 -1.667 9.666 -28.724 141 H ASP 19 H ASP 19 1.307 9.742 -27.095 142 HA ASP 19 HA ASP 19 -0.523 7.812 -26.041 143 HB2 ASP 19 1HB ASP 19 2.508 8.013 -25.970 144 HB3 ASP 19 2HB ASP 19 1.633 6.645 -25.294 145 H LEU 20 H LEU 20 1.653 10.157 -24.514 146 HA LEU 20 HA LEU 20 1.340 9.276 -21.833 147 HB2 LEU 20 1HB LEU 20 3.035 10.910 -22.513 148 HB3 LEU 20 2HB LEU 20 1.776 12.074 -22.938 149 HG LEU 20 HG LEU 20 1.103 12.183 -20.543 150 HD11 LEU 20 1HD1 LEU 20 2.574 11.175 -18.856 151 HD12 LEU 20 2HD1 LEU 20 1.815 9.941 -19.888 152 HD13 LEU 20 3HD1 LEU 20 3.517 10.392 -20.145 153 HD21 LEU 20 1HD2 LEU 20 3.101 13.437 -19.807 154 HD22 LEU 20 2HD2 LEU 20 4.053 12.687 -21.110 155 HD23 LEU 20 3HD2 LEU 20 2.715 13.791 -21.508 156 H GLU 21 H GLU 21 -0.533 11.635 -23.748 157 HA GLU 21 HA GLU 21 -2.310 12.365 -21.632 158 HB2 GLU 21 1HB GLU 21 -1.969 13.638 -23.783 159 HB3 GLU 21 2HB GLU 21 -2.865 12.383 -24.626 160 HG2 GLU 21 1HG GLU 21 -4.316 14.239 -24.209 161 HG3 GLU 21 2HG GLU 21 -4.843 12.873 -23.228 162 H GLN 22 H GLN 22 -2.429 9.813 -24.093 163 HA GLN 22 HA GLN 22 -5.035 8.840 -23.440 164 HB2 GLN 22 1HB GLN 22 -2.584 7.462 -24.596 165 HB3 GLN 22 2HB GLN 22 -4.135 6.657 -24.409 166 HG2 GLN 22 1HG GLN 22 -5.192 8.260 -25.903 167 HG3 GLN 22 2HG GLN 22 -3.651 9.151 -26.052 168 HE21 GLN 22 1HE2 GLN 22 -3.409 7.286 -29.054 169 HE22 GLN 22 2HE2 GLN 22 -3.913 8.795 -28.366 170 H LEU 23 H LEU 23 -1.805 8.031 -22.176 171 HA LEU 23 HA LEU 23 -2.699 6.025 -20.345 172 HB2 LEU 23 1HB LEU 23 -0.283 7.861 -20.336 173 HB3 LEU 23 2HB LEU 23 -0.534 6.585 -19.141 174 HG LEU 23 HG LEU 23 -0.313 6.099 -22.131 175 HD11 LEU 23 1HD1 LEU 23 1.954 5.308 -21.625 176 HD12 LEU 23 2HD1 LEU 23 1.759 7.034 -21.242 177 HD13 LEU 23 3HD1 LEU 23 1.758 5.827 -19.935 178 HD21 LEU 23 1HD2 LEU 23 -0.007 3.756 -21.405 179 HD22 LEU 23 2HD2 LEU 23 -0.231 4.252 -19.709 180 HD23 LEU 23 3HD2 LEU 23 -1.578 4.394 -20.864 181 H LYS 24 H LYS 24 -2.355 9.546 -20.084 182 HA LYS 24 HA LYS 24 -2.941 9.758 -17.304 183 HB2 LYS 24 1HB LYS 24 -3.332 11.653 -19.642 184 HB3 LYS 24 2HB LYS 24 -3.779 12.098 -18.001 185 HG2 LYS 24 1HG LYS 24 -1.521 11.975 -17.243 186 HG3 LYS 24 2HG LYS 24 -0.992 11.172 -18.729 187 HD2 LYS 24 1HD LYS 24 -0.361 13.543 -18.754 188 HD3 LYS 24 2HD LYS 24 -1.540 13.199 -20.028 189 HE2 LYS 24 1HE LYS 24 -3.352 14.022 -18.496 190 HE3 LYS 24 2HE LYS 24 -2.107 14.482 -17.331 191 HZ1 LYS 24 1HZ LYS 24 -2.765 16.326 -18.694 192 HZ2 LYS 24 2HZ LYS 24 -1.185 15.953 -18.988 193 HZ3 LYS 24 3HZ LYS 24 -2.349 15.524 -20.074 194 H SER 25 H SER 25 -5.073 9.786 -20.162 195 HA SER 25 HA SER 25 -7.488 10.145 -18.639 196 HB2 SER 25 1HB SER 25 -8.636 9.644 -20.688 197 HB3 SER 25 2HB SER 25 -7.233 10.625 -21.080 198 HG SER 25 HG SER 25 -6.226 8.392 -21.261 199 H ALA 26 H ALA 26 -5.613 7.336 -19.644 200 HA ALA 26 HA ALA 26 -7.528 5.351 -18.901 201 HB1 ALA 26 1HB ALA 26 -5.581 3.831 -18.776 202 HB2 ALA 26 2HB ALA 26 -5.544 4.829 -20.249 203 HB3 ALA 26 3HB ALA 26 -4.490 5.234 -18.875 204 H CYS 27 H CYS 27 -4.992 7.035 -17.065 205 HA CYS 27 HA CYS 27 -5.427 5.623 -14.611 206 HB2 CYS 27 1HB CYS 27 -4.307 8.388 -15.192 207 HB3 CYS 27 2HB CYS 27 -4.353 7.687 -13.580 208 HG CYS 27 HG CYS 27 -3.066 5.457 -14.409 209 H LYS 28 H LYS 28 -6.910 8.490 -16.064 210 HA LYS 28 HA LYS 28 -8.468 9.263 -13.796 211 HB2 LYS 28 1HB LYS 28 -8.882 9.643 -16.783 212 HB3 LYS 28 2HB LYS 28 -9.967 10.321 -15.578 213 HG2 LYS 28 1HG LYS 28 -8.105 11.617 -14.615 214 HG3 LYS 28 2HG LYS 28 -7.005 10.925 -15.814 215 HD2 LYS 28 1HD LYS 28 -8.364 11.913 -17.632 216 HD3 LYS 28 2HD LYS 28 -9.463 12.605 -16.431 217 HE2 LYS 28 1HE LYS 28 -7.594 13.918 -15.478 218 HE3 LYS 28 2HE LYS 28 -6.498 13.231 -16.680 219 HZ1 LYS 28 1HZ LYS 28 -7.288 15.383 -17.336 220 HZ2 LYS 28 2HZ LYS 28 -7.837 14.244 -18.394 221 HZ3 LYS 28 3HZ LYS 28 -8.859 14.887 -17.272 222 H GLU 29 H GLU 29 -8.971 6.869 -16.341 223 HA GLU 29 HA GLU 29 -11.687 6.262 -15.477 224 HB2 GLU 29 1HB GLU 29 -9.739 4.834 -17.326 225 HB3 GLU 29 2HB GLU 29 -11.364 4.249 -16.999 226 HG2 GLU 29 1HG GLU 29 -12.315 6.304 -17.929 227 HG3 GLU 29 2HG GLU 29 -10.695 6.938 -18.215 228 H ASP 30 H ASP 30 -8.450 4.908 -14.953 229 HA ASP 30 HA ASP 30 -9.438 2.531 -13.627 230 HB2 ASP 30 1HB ASP 30 -6.688 3.815 -13.800 231 HB3 ASP 30 2HB ASP 30 -6.988 2.327 -12.915 232 H ILE 31 H ILE 31 -8.314 5.715 -12.578 233 HA ILE 31 HA ILE 31 -8.585 4.847 -9.744 234 HB ILE 31 HB ILE 31 -7.272 7.334 -10.922 235 HG12 ILE 31 1HG1 ILE 31 -5.993 4.895 -9.669 236 HG13 ILE 31 2HG1 ILE 31 -6.123 5.168 -11.400 237 HG21 ILE 31 1HG2 ILE 31 -6.420 7.679 -8.639 238 HG22 ILE 31 2HG2 ILE 31 -8.198 7.722 -8.671 239 HG23 ILE 31 3HG2 ILE 31 -7.354 6.275 -8.073 240 HD11 ILE 31 1HD1 ILE 31 -3.923 5.798 -10.575 241 HD12 ILE 31 2HD1 ILE 31 -4.795 7.225 -11.188 242 HD13 ILE 31 3HD1 ILE 31 -4.662 6.948 -9.435 243 HA PRO 32 HA PRO 32 -12.542 6.833 -9.723 244 HB2 PRO 32 1HB PRO 32 -11.997 6.529 -6.748 245 HB3 PRO 32 2HB PRO 32 -13.466 6.145 -7.654 246 HG2 PRO 32 1HG PRO 32 -11.868 4.141 -6.941 247 HG3 PRO 32 2HG PRO 32 -12.553 4.146 -8.568 248 HD2 PRO 32 1HD PRO 32 -9.767 4.970 -7.657 249 HD3 PRO 32 2HD PRO 32 -10.252 4.001 -9.106 250 H SER 33 H SER 33 -13.254 8.926 -9.275 251 HA SER 33 HA SER 33 -11.269 10.948 -9.093 252 HB2 SER 33 1HB SER 33 -13.113 12.509 -8.999 253 HB3 SER 33 2HB SER 33 -13.507 11.228 -10.135 254 HG SER 33 HG SER 33 -14.737 11.972 -7.891 255 H GLU 34 H GLU 34 -13.303 9.426 -6.639 256 HA GLU 34 HA GLU 34 -12.625 11.211 -4.499 257 HB2 GLU 34 1HB GLU 34 -13.504 8.298 -4.514 258 HB3 GLU 34 2HB GLU 34 -13.287 9.235 -3.043 259 HG2 GLU 34 1HG GLU 34 -15.017 10.807 -3.758 260 HG3 GLU 34 2HG GLU 34 -15.208 9.931 -5.274 261 H LYS 35 H LYS 35 -11.049 8.382 -5.893 262 HA LYS 35 HA LYS 35 -9.085 8.208 -3.736 263 HB2 LYS 35 1HB LYS 35 -9.253 6.861 -6.459 264 HB3 LYS 35 2HB LYS 35 -7.995 6.532 -5.276 265 HG2 LYS 35 1HG LYS 35 -10.966 6.041 -4.919 266 HG3 LYS 35 2HG LYS 35 -9.713 4.821 -5.189 267 HD2 LYS 35 1HD LYS 35 -8.653 5.381 -3.059 268 HD3 LYS 35 2HD LYS 35 -9.802 6.700 -2.800 269 HE2 LYS 35 1HE LYS 35 -11.664 5.037 -2.803 270 HE3 LYS 35 2HE LYS 35 -10.477 3.740 -2.969 271 HZ1 LYS 35 1HZ LYS 35 -11.121 4.061 -0.695 272 HZ2 LYS 35 2HZ LYS 35 -9.522 4.425 -0.876 273 HZ3 LYS 35 3HZ LYS 35 -10.632 5.635 -0.721 274 H SER 36 H SER 36 -9.335 9.733 -6.885 275 HA SER 36 HA SER 36 -6.561 10.485 -7.086 276 HB2 SER 36 1HB SER 36 -7.269 11.958 -8.823 277 HB3 SER 36 2HB SER 36 -8.253 10.509 -8.956 278 HG SER 36 HG SER 36 -9.599 11.917 -7.365 279 H GLU 37 H GLU 37 -9.290 11.711 -5.285 280 HA GLU 37 HA GLU 37 -7.942 14.168 -4.484 281 HB2 GLU 37 1HB GLU 37 -10.329 12.657 -3.353 282 HB3 GLU 37 2HB GLU 37 -9.735 14.168 -2.679 283 HG2 GLU 37 1HG GLU 37 -10.182 15.315 -4.791 284 HG3 GLU 37 2HG GLU 37 -10.716 13.801 -5.518 285 H GLU 38 H GLU 38 -8.309 10.890 -3.173 286 HA GLU 38 HA GLU 38 -6.959 11.379 -0.701 287 HB2 GLU 38 1HB GLU 38 -7.306 8.859 -2.367 288 HB3 GLU 38 2HB GLU 38 -6.528 8.865 -0.790 289 HG2 GLU 38 1HG GLU 38 -8.608 9.759 0.213 290 HG3 GLU 38 2HG GLU 38 -9.381 9.691 -1.370 291 H ILE 39 H ILE 39 -5.804 10.451 -3.927 292 HA ILE 39 HA ILE 39 -3.042 10.195 -3.098 293 HB ILE 39 HB ILE 39 -4.308 10.575 -5.843 294 HG12 ILE 39 1HG1 ILE 39 -3.093 8.093 -4.621 295 HG13 ILE 39 2HG1 ILE 39 -4.806 8.471 -4.529 296 HG21 ILE 39 1HG2 ILE 39 -2.121 9.888 -6.740 297 HG22 ILE 39 2HG2 ILE 39 -1.988 11.408 -5.826 298 HG23 ILE 39 3HG2 ILE 39 -1.444 9.880 -5.094 299 HD11 ILE 39 1HD1 ILE 39 -4.345 6.933 -6.354 300 HD12 ILE 39 2HD1 ILE 39 -4.948 8.486 -6.982 301 HD13 ILE 39 3HD1 ILE 39 -3.212 8.100 -7.075 302 H THR 40 H THR 40 -1.679 11.737 -2.581 303 HA THR 40 HA THR 40 -2.229 14.488 -3.615 304 HB THR 40 HB THR 40 -1.133 15.347 -1.568 305 HG1 THR 40 HG1 THR 40 -1.188 12.703 -0.538 306 HG21 THR 40 1HG2 THR 40 -2.888 14.718 0.042 307 HG22 THR 40 2HG2 THR 40 -3.581 15.009 -1.572 308 HG23 THR 40 3HG2 THR 40 -3.348 13.344 -0.990 309 H THR 41 H THR 41 0.024 11.890 -3.379 310 HA THR 41 HA THR 41 2.076 13.619 -4.691 311 HB THR 41 HB THR 41 3.854 12.406 -3.552 312 HG1 THR 41 HG1 THR 41 3.472 10.552 -2.604 313 HG21 THR 41 1HG2 THR 41 3.439 13.098 -1.224 314 HG22 THR 41 2HG2 THR 41 2.882 14.343 -2.366 315 HG23 THR 41 3HG2 THR 41 1.705 13.267 -1.579 316 H GLY 42 H GLY 42 3.791 12.216 -5.798 317 HA2 GLY 42 1HA GLY 42 2.435 10.415 -7.652 318 HA3 GLY 42 2HA GLY 42 4.134 10.849 -7.668 319 H SER 43 H SER 43 4.537 10.129 -4.825 320 HA SER 43 HA SER 43 5.011 7.305 -5.036 321 HB2 SER 43 1HB SER 43 5.633 7.430 -2.700 322 HB3 SER 43 2HB SER 43 6.279 8.829 -3.545 323 HG SER 43 HG SER 43 5.295 9.357 -1.592 324 H ALA 44 H ALA 44 2.393 9.244 -3.637 325 HA ALA 44 HA ALA 44 0.945 6.995 -2.573 326 HB1 ALA 44 1HB ALA 44 -0.969 8.560 -2.496 327 HB2 ALA 44 2HB ALA 44 0.508 9.293 -1.827 328 HB3 ALA 44 3HB ALA 44 -0.040 9.731 -3.460 329 H TRP 45 H TRP 45 0.812 8.756 -5.666 330 HA TRP 45 HA TRP 45 -1.311 7.312 -6.845 331 HB2 TRP 45 1HB TRP 45 -0.397 9.304 -7.901 332 HB3 TRP 45 2HB TRP 45 1.177 8.542 -8.089 333 HD1 TRP 45 HD1 TRP 45 -2.388 8.457 -9.552 334 HE1 TRP 45 HE1 TRP 45 -2.311 7.335 -11.881 335 HE3 TRP 45 HE3 TRP 45 2.501 6.909 -9.520 336 HZ2 TRP 45 HZ2 TRP 45 -0.412 5.982 -13.472 337 HZ3 TRP 45 HZ3 TRP 45 3.386 5.704 -11.477 338 HH2 TRP 45 HH2 TRP 45 1.959 5.247 -13.427 339 H PHE 46 H PHE 46 2.191 6.619 -6.820 340 HA PHE 46 HA PHE 46 2.045 4.235 -8.373 341 HB2 PHE 46 1HB PHE 46 4.173 5.358 -7.955 342 HB3 PHE 46 2HB PHE 46 4.021 5.094 -6.225 343 HD1 PHE 46 HD1 PHE 46 4.234 3.241 -9.456 344 HD2 PHE 46 HD2 PHE 46 4.961 3.211 -5.246 345 HE1 PHE 46 HE1 PHE 46 5.435 1.093 -9.681 346 HE2 PHE 46 HE2 PHE 46 6.165 1.064 -5.467 347 HZ PHE 46 HZ PHE 46 6.401 0.003 -7.687 348 H SER 47 H SER 47 2.004 4.736 -4.832 349 HA SER 47 HA SER 47 1.970 1.940 -4.210 350 HB2 SER 47 1HB SER 47 1.517 2.627 -1.957 351 HB3 SER 47 2HB SER 47 2.647 3.780 -2.652 352 HG SER 47 HG SER 47 0.521 4.862 -3.264 353 H PHE 48 H PHE 48 -0.540 4.255 -4.997 354 HA PHE 48 HA PHE 48 -2.797 2.733 -4.157 355 HB2 PHE 48 1HB PHE 48 -2.950 5.084 -4.899 356 HB3 PHE 48 2HB PHE 48 -2.496 4.617 -6.531 357 HD1 PHE 48 HD1 PHE 48 -5.158 4.575 -4.013 358 HD2 PHE 48 HD2 PHE 48 -4.059 3.477 -7.993 359 HE1 PHE 48 HE1 PHE 48 -7.539 4.200 -4.566 360 HE2 PHE 48 HE2 PHE 48 -6.438 3.105 -8.550 361 HZ PHE 48 HZ PHE 48 -8.178 3.465 -6.834 362 H LEU 49 H LEU 49 -1.150 2.863 -7.337 363 HA LEU 49 HA LEU 49 -2.747 0.805 -8.518 364 HB2 LEU 49 1HB LEU 49 0.052 1.786 -9.173 365 HB3 LEU 49 2HB LEU 49 -0.873 0.672 -10.184 366 HG LEU 49 HG LEU 49 -1.683 3.527 -9.525 367 HD11 LEU 49 1HD1 LEU 49 -1.107 3.969 -11.871 368 HD12 LEU 49 2HD1 LEU 49 0.306 3.417 -10.939 369 HD13 LEU 49 3HD1 LEU 49 -0.526 2.296 -12.043 370 HD21 LEU 49 1HD2 LEU 49 -3.396 3.139 -11.263 371 HD22 LEU 49 2HD2 LEU 49 -2.849 1.453 -11.429 372 HD23 LEU 49 3HD2 LEU 49 -3.591 2.003 -9.907 373 H GLU 50 H GLU 50 0.278 0.752 -6.677 374 HA GLU 50 HA GLU 50 0.869 -2.011 -6.967 375 HB2 GLU 50 1HB GLU 50 2.442 -0.440 -5.934 376 HB3 GLU 50 2HB GLU 50 1.325 -0.135 -4.612 377 HG2 GLU 50 1HG GLU 50 1.519 -2.542 -3.962 378 HG3 GLU 50 2HG GLU 50 2.748 -2.734 -5.211 379 H SER 51 H SER 51 -1.142 -0.314 -4.545 380 HA SER 51 HA SER 51 -1.728 -2.628 -2.997 381 HB2 SER 51 1HB SER 51 -3.300 -0.061 -3.389 382 HB3 SER 51 2HB SER 51 -3.661 -1.266 -2.163 383 HG SER 51 HG SER 51 -1.352 0.295 -2.474 384 H HIS 52 H HIS 52 -3.300 -1.221 -5.840 385 HA HIS 52 HA HIS 52 -5.455 -3.274 -5.672 386 HB2 HIS 52 1HB HIS 52 -5.173 -0.787 -7.396 387 HB3 HIS 52 2HB HIS 52 -6.511 -1.922 -7.495 388 HD1 HIS 52 HD1 HIS 52 -7.933 -2.199 -5.166 389 HD2 HIS 52 HD2 HIS 52 -5.531 1.254 -5.424 390 HE1 HIS 52 HE1 HIS 52 -8.840 -0.623 -3.534 391 H ASN 53 H ASN 53 -2.433 -2.987 -6.973 392 HA ASN 53 HA ASN 53 -1.321 -4.131 -8.635 393 HB2 ASN 53 1HB ASN 53 -3.680 -6.005 -8.261 394 HB3 ASN 53 2HB ASN 53 -2.244 -6.395 -9.198 395 HD21 ASN 53 1HD2 ASN 53 -2.239 -7.254 -5.389 396 HD22 ASN 53 2HD2 ASN 53 -3.614 -7.100 -6.433 397 H LYS 54 H LYS 54 -2.693 -2.000 -9.601 398 HA LYS 54 HA LYS 54 -4.071 -2.997 -12.045 399 HB2 LYS 54 1HB LYS 54 -3.981 -0.205 -10.833 400 HB3 LYS 54 2HB LYS 54 -4.860 -0.650 -12.290 401 HG2 LYS 54 1HG LYS 54 -5.391 -1.760 -9.517 402 HG3 LYS 54 2HG LYS 54 -6.323 -0.489 -10.322 403 HD2 LYS 54 1HD LYS 54 -6.865 -2.088 -12.159 404 HD3 LYS 54 2HD LYS 54 -5.996 -3.356 -11.282 405 HE2 LYS 54 1HE LYS 54 -7.547 -3.070 -9.362 406 HE3 LYS 54 2HE LYS 54 -8.428 -1.838 -10.269 407 HZ1 LYS 54 1HZ LYS 54 -9.477 -3.973 -10.436 408 HZ2 LYS 54 2HZ LYS 54 -8.938 -3.501 -11.922 409 HZ3 LYS 54 3HZ LYS 54 -8.116 -4.652 -11.075 410 H LEU 55 H LEU 55 -1.035 -2.242 -11.094 411 HA LEU 55 HA LEU 55 -0.348 -0.980 -13.709 412 HB2 LEU 55 1HB LEU 55 0.406 0.291 -11.766 413 HB3 LEU 55 2HB LEU 55 1.200 -1.139 -11.099 414 HG LEU 55 HG LEU 55 2.759 -1.127 -13.062 415 HD11 LEU 55 1HD1 LEU 55 2.845 0.893 -14.455 416 HD12 LEU 55 2HD1 LEU 55 1.299 0.032 -14.640 417 HD13 LEU 55 3HD1 LEU 55 1.383 1.509 -13.652 418 HD21 LEU 55 1HD2 LEU 55 4.054 0.819 -12.257 419 HD22 LEU 55 2HD2 LEU 55 2.609 1.436 -11.421 420 HD23 LEU 55 3HD2 LEU 55 3.354 -0.093 -10.897 421 H ASP 56 H ASP 56 0.491 -2.210 -15.225 422 HA ASP 56 HA ASP 56 1.393 -4.928 -14.504 423 HB2 ASP 56 1HB ASP 56 1.265 -5.412 -16.872 424 HB3 ASP 56 2HB ASP 56 -0.204 -4.568 -16.398 425 H LYS 57 H LYS 57 3.236 -5.730 -16.086 426 HA LYS 57 HA LYS 57 5.585 -4.409 -15.057 427 HB2 LYS 57 1HB LYS 57 5.458 -6.861 -15.417 428 HB3 LYS 57 2HB LYS 57 5.330 -6.605 -17.152 429 HG2 LYS 57 1HG LYS 57 7.573 -5.673 -17.233 430 HG3 LYS 57 2HG LYS 57 7.708 -5.759 -15.472 431 HD2 LYS 57 1HD LYS 57 7.482 -8.219 -15.570 432 HD3 LYS 57 2HD LYS 57 7.338 -8.137 -17.332 433 HE2 LYS 57 1HE LYS 57 9.741 -7.132 -15.766 434 HE3 LYS 57 2HE LYS 57 9.640 -8.725 -16.521 435 HZ1 LYS 57 1HZ LYS 57 10.765 -7.155 -17.921 436 HZ2 LYS 57 2HZ LYS 57 9.363 -7.638 -18.642 437 HZ3 LYS 57 3HZ LYS 57 9.458 -6.150 -17.937 438 H ASP 58 H ASP 58 3.986 -4.502 -18.213 439 HA ASP 58 HA ASP 58 6.081 -3.417 -19.764 440 HB2 ASP 58 1HB ASP 58 3.063 -3.228 -20.050 441 HB3 ASP 58 2HB ASP 58 4.169 -2.573 -21.249 442 H ASN 59 H ASN 59 3.433 -1.755 -18.033 443 HA ASN 59 HA ASN 59 4.487 0.881 -18.673 444 HB2 ASN 59 1HB ASN 59 2.366 -0.111 -16.753 445 HB3 ASN 59 2HB ASN 59 2.828 1.582 -16.854 446 HD21 ASN 59 1HD2 ASN 59 -0.088 0.739 -19.093 447 HD22 ASN 59 2HD2 ASN 59 0.270 0.366 -17.439 448 H LEU 60 H LEU 60 4.775 -1.383 -15.986 449 HA LEU 60 HA LEU 60 5.900 0.347 -14.066 450 HB2 LEU 60 1HB LEU 60 5.194 -2.020 -13.683 451 HB3 LEU 60 2HB LEU 60 6.620 -2.563 -14.572 452 HG LEU 60 HG LEU 60 8.071 -1.507 -12.849 453 HD11 LEU 60 1HD1 LEU 60 7.051 -0.726 -10.757 454 HD12 LEU 60 2HD1 LEU 60 6.537 0.259 -12.148 455 HD13 LEU 60 3HD1 LEU 60 5.433 -0.956 -11.460 456 HD21 LEU 60 1HD2 LEU 60 7.567 -3.161 -11.082 457 HD22 LEU 60 2HD2 LEU 60 5.955 -3.427 -11.789 458 HD23 LEU 60 3HD2 LEU 60 7.413 -3.886 -12.700 459 H SER 61 H SER 61 7.349 -1.220 -16.871 460 HA SER 61 HA SER 61 10.080 -0.798 -16.223 461 HB2 SER 61 1HB SER 61 10.521 -1.136 -18.553 462 HB3 SER 61 2HB SER 61 9.193 -2.196 -18.106 463 HG SER 61 HG SER 61 7.810 -0.970 -19.141 464 H TYR 62 H TYR 62 7.626 1.360 -17.540 465 HA TYR 62 HA TYR 62 9.580 3.498 -18.018 466 HB2 TYR 62 1HB TYR 62 6.537 3.466 -18.109 467 HB3 TYR 62 2HB TYR 62 7.527 4.859 -18.518 468 HD1 TYR 62 HD1 TYR 62 6.021 1.851 -19.711 469 HD2 TYR 62 HD2 TYR 62 9.249 4.590 -20.411 470 HE1 TYR 62 HE1 TYR 62 6.209 1.034 -22.035 471 HE2 TYR 62 HE2 TYR 62 9.437 3.772 -22.737 472 HH TYR 62 HH TYR 62 7.336 1.173 -23.949 473 H ILE 63 H ILE 63 7.324 2.504 -15.518 474 HA ILE 63 HA ILE 63 7.416 4.913 -13.974 475 HB ILE 63 HB ILE 63 6.955 2.020 -13.132 476 HG12 ILE 63 1HG1 ILE 63 5.283 2.773 -14.681 477 HG13 ILE 63 2HG1 ILE 63 4.588 2.710 -13.068 478 HG21 ILE 63 1HG2 ILE 63 5.995 2.976 -11.075 479 HG22 ILE 63 2HG2 ILE 63 7.720 3.385 -11.226 480 HG23 ILE 63 3HG2 ILE 63 6.480 4.605 -11.601 481 HD11 ILE 63 1HD1 ILE 63 3.857 4.698 -14.263 482 HD12 ILE 63 2HD1 ILE 63 4.844 5.144 -12.849 483 HD13 ILE 63 3HD1 ILE 63 5.547 5.208 -14.483 484 H GLU 64 H GLU 64 9.449 1.991 -14.005 485 HA GLU 64 HA GLU 64 11.217 2.731 -11.917 486 HB2 GLU 64 1HB GLU 64 11.213 0.506 -13.022 487 HB3 GLU 64 2HB GLU 64 11.834 1.232 -14.498 488 HG2 GLU 64 1HG GLU 64 13.889 1.887 -13.321 489 HG3 GLU 64 2HG GLU 64 13.266 1.178 -11.833 490 H HIS 65 H HIS 65 11.364 3.452 -15.415 491 HA HIS 65 HA HIS 65 13.809 4.842 -15.460 492 HB2 HIS 65 1HB HIS 65 12.639 4.299 -17.514 493 HB3 HIS 65 2HB HIS 65 11.273 5.309 -17.063 494 HD1 HIS 65 HD1 HIS 65 14.925 5.586 -18.068 495 HD2 HIS 65 HD2 HIS 65 11.509 8.048 -17.888 496 HE1 HIS 65 HE1 HIS 65 15.572 7.712 -19.084 497 H ILE 66 H ILE 66 10.541 6.155 -14.833 498 HA ILE 66 HA ILE 66 11.539 8.865 -14.678 499 HB ILE 66 HB ILE 66 9.240 9.439 -13.962 500 HG12 ILE 66 1HG1 ILE 66 8.749 6.453 -13.902 501 HG13 ILE 66 2HG1 ILE 66 8.907 7.480 -12.486 502 HG21 ILE 66 1HG2 ILE 66 8.049 8.594 -15.944 503 HG22 ILE 66 2HG2 ILE 66 9.701 9.106 -16.361 504 HG23 ILE 66 3HG2 ILE 66 9.322 7.376 -16.194 505 HD11 ILE 66 1HD1 ILE 66 6.571 7.040 -12.993 506 HD12 ILE 66 2HD1 ILE 66 6.937 8.771 -13.187 507 HD13 ILE 66 3HD1 ILE 66 6.776 7.728 -14.620 508 H PHE 67 H PHE 67 11.119 6.267 -12.402 509 HA PHE 67 HA PHE 67 11.402 7.963 -10.049 510 HB2 PHE 67 1HB PHE 67 11.615 4.971 -10.519 511 HB3 PHE 67 2HB PHE 67 11.947 5.696 -8.955 512 HD1 PHE 67 HD1 PHE 67 9.600 7.846 -10.073 513 HD2 PHE 67 HD2 PHE 67 9.933 3.733 -8.967 514 HE1 PHE 67 HE1 PHE 67 7.186 7.796 -9.537 515 HE2 PHE 67 HE2 PHE 67 7.521 3.679 -8.431 516 HZ PHE 67 HZ PHE 67 6.147 5.713 -8.714 517 H GLU 68 H GLU 68 13.545 6.270 -12.263 518 HA GLU 68 HA GLU 68 15.945 6.744 -10.709 519 HB2 GLU 68 1HB GLU 68 15.805 5.012 -12.490 520 HB3 GLU 68 2HB GLU 68 15.598 6.272 -13.699 521 HG2 GLU 68 1HG GLU 68 17.868 5.501 -13.729 522 HG3 GLU 68 2HG GLU 68 17.831 7.163 -13.145 523 H ILE 69 H ILE 69 14.137 8.534 -13.161 524 HA ILE 69 HA ILE 69 16.170 10.591 -13.449 525 HB ILE 69 HB ILE 69 13.234 10.515 -14.261 526 HG12 ILE 69 1HG1 ILE 69 14.572 8.871 -15.425 527 HG13 ILE 69 2HG1 ILE 69 14.120 10.173 -16.515 528 HG21 ILE 69 1HG2 ILE 69 13.770 12.472 -15.655 529 HG22 ILE 69 2HG2 ILE 69 14.003 12.834 -13.929 530 HG23 ILE 69 3HG2 ILE 69 15.411 12.516 -14.969 531 HD11 ILE 69 1HD1 ILE 69 16.427 9.493 -16.871 532 HD12 ILE 69 2HD1 ILE 69 16.353 11.168 -16.273 533 HD13 ILE 69 3HD1 ILE 69 16.812 9.849 -15.171 534 H SER 70 H SER 70 13.099 10.276 -11.675 535 HA SER 70 HA SER 70 13.324 12.971 -10.572 536 HB2 SER 70 1HB SER 70 11.302 12.415 -9.355 537 HB3 SER 70 2HB SER 70 11.137 11.902 -11.027 538 HG SER 70 HG SER 70 11.296 9.878 -10.469 539 H ARG 71 H ARG 71 14.859 10.081 -9.925 540 HA ARG 71 HA ARG 71 16.238 9.419 -8.205 541 HB2 ARG 71 1HB ARG 71 15.856 12.179 -7.015 542 HB3 ARG 71 2HB ARG 71 17.207 11.081 -6.773 543 HG2 ARG 71 1HG ARG 71 16.513 12.611 -9.287 544 HG3 ARG 71 2HG ARG 71 17.926 12.823 -8.225 545 HD2 ARG 71 1HD ARG 71 17.302 10.356 -9.832 546 HD3 ARG 71 2HD ARG 71 18.456 11.631 -10.288 547 HE ARG 71 HE ARG 71 19.389 10.945 -7.872 548 HH11 ARG 71 1HH1 ARG 71 18.356 8.960 -10.580 549 HH12 ARG 71 2HH1 ARG 71 19.457 7.652 -10.204 550 HH21 ARG 71 1HH2 ARG 71 20.812 9.241 -7.393 551 HH22 ARG 71 2HH2 ARG 71 20.847 7.811 -8.399 552 H ARG 72 H ARG 72 14.226 8.118 -7.720 553 HA ARG 72 HA ARG 72 13.539 8.658 -4.864 554 HB2 ARG 72 1HB ARG 72 11.732 7.483 -7.002 555 HB3 ARG 72 2HB ARG 72 11.357 7.515 -5.286 556 HG2 ARG 72 1HG ARG 72 11.874 10.009 -6.918 557 HG3 ARG 72 2HG ARG 72 10.262 9.299 -6.655 558 HD2 ARG 72 1HD ARG 72 10.607 9.510 -4.235 559 HD3 ARG 72 2HD ARG 72 12.161 10.316 -4.555 560 HE ARG 72 HE ARG 72 9.470 11.404 -4.954 561 HH11 ARG 72 1HH1 ARG 72 12.928 11.762 -5.460 562 HH12 ARG 72 2HH1 ARG 72 12.834 13.485 -5.750 563 HH21 ARG 72 1HH2 ARG 72 9.360 13.640 -5.333 564 HH22 ARG 72 2HH2 ARG 72 10.815 14.548 -5.679 565 HA PRO 73 HA PRO 73 15.884 4.727 -5.340 566 HB2 PRO 73 1HB PRO 73 16.395 5.551 -2.453 567 HB3 PRO 73 2HB PRO 73 17.513 4.824 -3.614 568 HG2 PRO 73 1HG PRO 73 17.697 7.437 -3.168 569 HG3 PRO 73 2HG PRO 73 17.790 6.853 -4.833 570 HD2 PRO 73 1HD PRO 73 15.433 8.097 -3.365 571 HD3 PRO 73 2HD PRO 73 16.001 8.382 -5.059 572 H ASP 74 H ASP 74 13.808 5.939 -2.701 573 HA ASP 74 HA ASP 74 13.243 3.414 -1.501 574 HB2 ASP 74 1HB ASP 74 11.701 6.032 -1.553 575 HB3 ASP 74 2HB ASP 74 11.172 4.634 -0.627 576 H LEU 75 H LEU 75 11.553 5.272 -4.030 577 HA LEU 75 HA LEU 75 9.415 3.333 -4.275 578 HB2 LEU 75 1HB LEU 75 10.343 5.603 -6.065 579 HB3 LEU 75 2HB LEU 75 8.915 4.617 -6.394 580 HG LEU 75 HG LEU 75 9.305 6.378 -3.947 581 HD11 LEU 75 1HD1 LEU 75 7.617 7.806 -5.012 582 HD12 LEU 75 2HD1 LEU 75 9.086 7.668 -6.007 583 HD13 LEU 75 3HD1 LEU 75 7.626 6.749 -6.443 584 HD21 LEU 75 1HD2 LEU 75 6.914 5.881 -3.562 585 HD22 LEU 75 2HD2 LEU 75 6.912 4.796 -4.973 586 HD23 LEU 75 3HD2 LEU 75 7.889 4.392 -3.541 587 H LEU 76 H LEU 76 12.512 3.893 -5.878 588 HA LEU 76 HA LEU 76 12.192 2.070 -8.032 589 HB2 LEU 76 1HB LEU 76 14.611 2.993 -6.459 590 HB3 LEU 76 2HB LEU 76 14.747 1.869 -7.816 591 HG LEU 76 HG LEU 76 13.544 4.650 -8.035 592 HD11 LEU 76 1HD1 LEU 76 15.683 5.276 -9.063 593 HD12 LEU 76 2HD1 LEU 76 15.890 4.776 -7.369 594 HD13 LEU 76 3HD1 LEU 76 16.337 3.665 -8.686 595 HD21 LEU 76 1HD2 LEU 76 13.866 4.243 -10.452 596 HD22 LEU 76 2HD2 LEU 76 14.494 2.616 -10.095 597 HD23 LEU 76 3HD2 LEU 76 12.797 3.013 -9.733 598 H THR 77 H THR 77 13.341 1.569 -4.693 599 HA THR 77 HA THR 77 13.805 -1.231 -4.906 600 HB THR 77 HB THR 77 12.872 0.402 -2.505 601 HG1 THR 77 HG1 THR 77 14.871 1.110 -3.142 602 HG21 THR 77 1HG2 THR 77 13.767 -1.464 -1.169 603 HG22 THR 77 2HG2 THR 77 12.438 -2.012 -2.216 604 HG23 THR 77 3HG2 THR 77 14.123 -2.366 -2.660 605 H MET 78 H MET 78 10.855 0.613 -4.158 606 HA MET 78 HA MET 78 9.209 -1.673 -3.648 607 HB2 MET 78 1HB MET 78 8.540 1.142 -4.580 608 HB3 MET 78 2HB MET 78 7.321 -0.056 -4.170 609 HG2 MET 78 1HG MET 78 8.064 -0.131 -1.877 610 HG3 MET 78 2HG MET 78 9.464 0.882 -2.244 611 HE1 MET 78 1HE MET 78 5.070 2.313 -2.137 612 HE2 MET 78 2HE MET 78 5.649 1.134 -3.339 613 HE3 MET 78 3HE MET 78 5.633 0.709 -1.609 614 H VAL 79 H VAL 79 10.014 0.098 -6.610 615 HA VAL 79 HA VAL 79 8.239 -1.246 -8.366 616 HB VAL 79 HB VAL 79 11.003 -0.049 -8.785 617 HG11 VAL 79 1HG1 VAL 79 10.595 -0.201 -11.193 618 HG12 VAL 79 2HG1 VAL 79 10.703 -1.806 -10.432 619 HG13 VAL 79 3HG1 VAL 79 9.115 -1.140 -10.881 620 HG21 VAL 79 1HG2 VAL 79 9.697 1.725 -9.912 621 HG22 VAL 79 2HG2 VAL 79 8.194 0.843 -9.554 622 HG23 VAL 79 3HG2 VAL 79 9.171 1.512 -8.226 623 H VAL 80 H VAL 80 11.549 -2.075 -7.315 624 HA VAL 80 HA VAL 80 11.871 -4.384 -8.925 625 HB VAL 80 HB VAL 80 12.991 -3.688 -6.180 626 HG11 VAL 80 1HG1 VAL 80 14.663 -5.431 -6.570 627 HG12 VAL 80 2HG1 VAL 80 13.018 -6.099 -6.455 628 HG13 VAL 80 3HG1 VAL 80 13.801 -5.926 -8.045 629 HG21 VAL 80 1HG2 VAL 80 15.021 -3.154 -7.490 630 HG22 VAL 80 2HG2 VAL 80 14.163 -3.578 -8.991 631 HG23 VAL 80 3HG2 VAL 80 13.634 -2.177 -8.027 632 H ASP 81 H ASP 81 10.614 -4.045 -5.593 633 HA ASP 81 HA ASP 81 10.091 -6.849 -5.254 634 HB2 ASP 81 1HB ASP 81 9.020 -4.373 -3.852 635 HB3 ASP 81 2HB ASP 81 8.564 -6.005 -3.379 636 H TYR 82 H TYR 82 8.115 -4.111 -6.358 637 HA TYR 82 HA TYR 82 5.656 -5.584 -6.504 638 HB2 TYR 82 1HB TYR 82 5.770 -3.102 -6.467 639 HB3 TYR 82 2HB TYR 82 6.535 -3.113 -8.051 640 HD1 TYR 82 HD1 TYR 82 3.500 -4.626 -6.434 641 HD2 TYR 82 HD2 TYR 82 5.181 -2.612 -9.829 642 HE1 TYR 82 HE1 TYR 82 1.275 -4.581 -7.509 643 HE2 TYR 82 HE2 TYR 82 2.955 -2.567 -10.904 644 HH TYR 82 HH TYR 82 0.855 -3.543 -10.827 645 H ARG 83 H ARG 83 8.198 -4.885 -8.895 646 HA ARG 83 HA ARG 83 6.990 -6.101 -11.134 647 HB2 ARG 83 1HB ARG 83 9.097 -4.787 -11.197 648 HB3 ARG 83 2HB ARG 83 9.934 -6.097 -10.378 649 HG2 ARG 83 1HG ARG 83 9.699 -7.548 -12.254 650 HG3 ARG 83 2HG ARG 83 8.561 -6.435 -13.052 651 HD2 ARG 83 1HD ARG 83 11.423 -5.785 -12.395 652 HD3 ARG 83 2HD ARG 83 10.843 -6.370 -13.971 653 HE ARG 83 HE ARG 83 9.259 -4.231 -13.582 654 HH11 ARG 83 1HH1 ARG 83 12.729 -4.645 -13.234 655 HH12 ARG 83 2HH1 ARG 83 13.096 -2.985 -13.648 656 HH21 ARG 83 1HH2 ARG 83 9.746 -2.079 -14.117 657 HH22 ARG 83 2HH2 ARG 83 11.407 -1.532 -14.147 658 H THR 84 H THR 84 9.010 -7.541 -8.567 659 HA THR 84 HA THR 84 9.015 -10.201 -9.520 660 HB THR 84 HB THR 84 8.957 -9.204 -6.638 661 HG1 THR 84 HG1 THR 84 10.786 -8.444 -7.604 662 HG21 THR 84 1HG2 THR 84 9.959 -11.389 -6.098 663 HG22 THR 84 2HG2 THR 84 8.342 -11.590 -6.815 664 HG23 THR 84 3HG2 THR 84 9.795 -11.889 -7.798 665 H ARG 85 H ARG 85 6.644 -8.518 -7.454 666 HA ARG 85 HA ARG 85 4.901 -10.717 -7.053 667 HB2 ARG 85 1HB ARG 85 4.334 -7.742 -7.237 668 HB3 ARG 85 2HB ARG 85 3.132 -8.931 -6.759 669 HG2 ARG 85 1HG ARG 85 4.415 -9.527 -4.797 670 HG3 ARG 85 2HG ARG 85 5.749 -8.464 -5.308 671 HD2 ARG 85 1HD ARG 85 4.190 -6.555 -5.198 672 HD3 ARG 85 2HD ARG 85 2.957 -7.654 -4.538 673 HE ARG 85 HE ARG 85 5.019 -8.070 -2.852 674 HH11 ARG 85 1HH1 ARG 85 3.549 -5.118 -4.065 675 HH12 ARG 85 2HH1 ARG 85 3.914 -4.196 -2.624 676 HH21 ARG 85 1HH2 ARG 85 5.487 -6.861 -0.987 677 HH22 ARG 85 2HH2 ARG 85 5.011 -5.181 -0.881 678 H VAL 86 H VAL 86 4.998 -8.265 -9.643 679 HA VAL 86 HA VAL 86 2.670 -9.157 -11.018 680 HB VAL 86 HB VAL 86 5.175 -7.744 -12.020 681 HG11 VAL 86 1HG1 VAL 86 3.868 -7.139 -13.999 682 HG12 VAL 86 2HG1 VAL 86 4.109 -8.897 -13.872 683 HG13 VAL 86 3HG1 VAL 86 2.538 -8.180 -13.438 684 HG21 VAL 86 1HG2 VAL 86 3.707 -5.753 -11.948 685 HG22 VAL 86 2HG2 VAL 86 2.379 -6.756 -11.320 686 HG23 VAL 86 3HG2 VAL 86 3.846 -6.509 -10.344 687 H LEU 87 H LEU 87 6.089 -10.101 -11.261 688 HA LEU 87 HA LEU 87 5.771 -11.850 -13.504 689 HB2 LEU 87 1HB LEU 87 7.789 -11.796 -11.237 690 HB3 LEU 87 2HB LEU 87 7.902 -12.896 -12.614 691 HG LEU 87 HG LEU 87 7.925 -9.866 -12.834 692 HD11 LEU 87 1HD1 LEU 87 10.332 -10.131 -13.236 693 HD12 LEU 87 2HD1 LEU 87 9.872 -10.685 -11.610 694 HD13 LEU 87 3HD1 LEU 87 10.197 -11.872 -12.895 695 HD21 LEU 87 1HD2 LEU 87 8.700 -10.350 -15.131 696 HD22 LEU 87 2HD2 LEU 87 8.542 -12.095 -14.817 697 HD23 LEU 87 3HD2 LEU 87 7.094 -11.060 -14.834 698 H LYS 88 H LYS 88 5.380 -12.294 -10.018 699 HA LYS 88 HA LYS 88 5.041 -15.149 -10.119 700 HB2 LYS 88 1HB LYS 88 4.181 -13.035 -8.114 701 HB3 LYS 88 2HB LYS 88 3.849 -14.746 -7.883 702 HG2 LYS 88 1HG LYS 88 6.265 -15.231 -7.929 703 HG3 LYS 88 2HG LYS 88 6.604 -13.512 -8.176 704 HD2 LYS 88 1HD LYS 88 5.567 -12.965 -6.021 705 HD3 LYS 88 2HD LYS 88 5.124 -14.662 -5.781 706 HE2 LYS 88 1HE LYS 88 7.511 -15.292 -5.774 707 HE3 LYS 88 2HE LYS 88 7.964 -13.605 -6.034 708 HZ1 LYS 88 1HZ LYS 88 8.109 -14.212 -3.732 709 HZ2 LYS 88 2HZ LYS 88 6.939 -13.066 -3.933 710 HZ3 LYS 88 3HZ LYS 88 6.516 -14.642 -3.690 711 H ILE 89 H ILE 89 2.841 -12.408 -10.482 712 HA ILE 89 HA ILE 89 0.425 -13.964 -10.443 713 HB ILE 89 HB ILE 89 1.052 -11.240 -11.651 714 HG12 ILE 89 1HG1 ILE 89 -0.482 -11.934 -9.140 715 HG13 ILE 89 2HG1 ILE 89 1.233 -11.551 -9.155 716 HG21 ILE 89 1HG2 ILE 89 -1.387 -10.931 -11.769 717 HG22 ILE 89 2HG2 ILE 89 -0.862 -12.277 -12.807 718 HG23 ILE 89 3HG2 ILE 89 -1.629 -12.612 -11.238 719 HD11 ILE 89 1HD1 ILE 89 -0.096 -9.605 -8.557 720 HD12 ILE 89 2HD1 ILE 89 0.743 -9.337 -10.105 721 HD13 ILE 89 3HD1 ILE 89 -0.994 -9.725 -10.087 722 H SER 90 H SER 90 -0.323 -15.356 -11.858 723 HA SER 90 HA SER 90 -0.089 -14.884 -14.720 724 HB2 SER 90 1HB SER 90 2.122 -15.844 -14.293 725 HB3 SER 90 2HB SER 90 1.398 -17.211 -13.459 726 HG SER 90 HG SER 90 1.317 -16.515 -16.161 Start of MODEL 9 1 H1 MET 1 1H MET 1 -1.686 17.158 -6.178 2 H2 MET 1 2H MET 1 -0.500 18.243 -5.895 3 H3 MET 1 3H MET 1 -1.436 18.387 -7.223 4 HA MET 1 HA MET 1 0.442 16.236 -6.659 5 HB2 MET 1 1HB MET 1 -1.403 16.742 -9.023 6 HB3 MET 1 2HB MET 1 -0.083 15.582 -9.046 7 HG2 MET 1 1HG MET 1 -1.153 14.358 -7.168 8 HG3 MET 1 2HG MET 1 -2.497 15.501 -7.215 9 HE1 MET 1 1HE MET 1 -4.295 14.729 -10.530 10 HE2 MET 1 2HE MET 1 -4.391 15.511 -8.933 11 HE3 MET 1 3HE MET 1 -3.193 16.069 -10.128 12 H ALA 2 H ALA 2 1.531 18.543 -6.225 13 HA ALA 2 HA ALA 2 2.293 20.068 -8.520 14 HB1 ALA 2 1HB ALA 2 4.013 21.040 -7.031 15 HB2 ALA 2 2HB ALA 2 2.421 20.967 -6.239 16 HB3 ALA 2 3HB ALA 2 3.676 19.774 -5.828 17 H GLU 3 H GLU 3 3.969 17.477 -6.727 18 HA GLU 3 HA GLU 3 6.299 17.499 -8.404 19 HB2 GLU 3 1HB GLU 3 6.300 16.511 -6.144 20 HB3 GLU 3 2HB GLU 3 5.143 15.291 -6.654 21 HG2 GLU 3 1HG GLU 3 6.760 14.315 -8.173 22 HG3 GLU 3 2HG GLU 3 7.913 15.602 -7.827 23 H TYR 4 H TYR 4 3.399 15.406 -8.352 24 HA TYR 4 HA TYR 4 4.250 13.701 -10.462 25 HB2 TYR 4 1HB TYR 4 2.383 13.203 -8.868 26 HB3 TYR 4 2HB TYR 4 1.401 14.424 -9.664 27 HD1 TYR 4 HD1 TYR 4 3.342 11.312 -10.412 28 HD2 TYR 4 HD2 TYR 4 0.009 13.823 -11.412 29 HE1 TYR 4 HE1 TYR 4 2.555 9.622 -12.036 30 HE2 TYR 4 HE2 TYR 4 -0.777 12.134 -13.036 31 HH TYR 4 HH TYR 4 -0.406 10.152 -13.953 32 H GLY 5 H GLY 5 2.234 16.643 -10.517 33 HA2 GLY 5 1HA GLY 5 1.739 16.754 -13.299 34 HA3 GLY 5 2HA GLY 5 1.840 18.145 -12.237 35 H THR 6 H THR 6 4.487 18.013 -11.381 36 HA THR 6 HA THR 6 5.948 19.105 -13.569 37 HB THR 6 HB THR 6 6.979 17.935 -10.949 38 HG1 THR 6 HG1 THR 6 5.657 19.668 -10.523 39 HG21 THR 6 1HG2 THR 6 8.969 19.323 -11.376 40 HG22 THR 6 2HG2 THR 6 8.750 18.114 -12.663 41 HG23 THR 6 3HG2 THR 6 8.297 19.811 -12.949 42 H LEU 7 H LEU 7 5.896 15.847 -12.154 43 HA LEU 7 HA LEU 7 8.051 14.788 -13.688 44 HB2 LEU 7 1HB LEU 7 5.609 13.460 -12.467 45 HB3 LEU 7 2HB LEU 7 6.943 12.568 -13.205 46 HG LEU 7 HG LEU 7 7.186 14.391 -10.785 47 HD11 LEU 7 1HD1 LEU 7 7.458 12.295 -9.537 48 HD12 LEU 7 2HD1 LEU 7 5.862 12.394 -10.316 49 HD13 LEU 7 3HD1 LEU 7 7.134 11.369 -11.022 50 HD21 LEU 7 1HD2 LEU 7 9.440 13.390 -10.620 51 HD22 LEU 7 2HD2 LEU 7 9.146 12.479 -12.120 52 HD23 LEU 7 3HD2 LEU 7 9.235 14.256 -12.162 53 H LEU 8 H LEU 8 4.570 15.045 -14.333 54 HA LEU 8 HA LEU 8 4.525 13.543 -16.745 55 HB2 LEU 8 1HB LEU 8 2.855 15.896 -15.804 56 HB3 LEU 8 2HB LEU 8 2.513 14.993 -17.282 57 HG LEU 8 HG LEU 8 2.545 13.785 -14.494 58 HD11 LEU 8 1HD1 LEU 8 0.100 13.783 -14.709 59 HD12 LEU 8 2HD1 LEU 8 0.761 15.435 -14.740 60 HD13 LEU 8 3HD1 LEU 8 0.235 14.659 -16.252 61 HD21 LEU 8 1HD2 LEU 8 1.456 11.885 -15.638 62 HD22 LEU 8 2HD2 LEU 8 1.608 12.733 -17.195 63 HD23 LEU 8 3HD2 LEU 8 3.067 12.205 -16.323 64 H GLN 9 H GLN 9 5.267 16.962 -16.112 65 HA GLN 9 HA GLN 9 5.702 17.648 -18.875 66 HB2 GLN 9 1HB GLN 9 6.720 18.880 -16.286 67 HB3 GLN 9 2HB GLN 9 7.022 19.572 -17.874 68 HG2 GLN 9 1HG GLN 9 4.625 19.853 -18.239 69 HG3 GLN 9 2HG GLN 9 4.294 19.109 -16.650 70 HE21 GLN 9 1HE2 GLN 9 4.087 22.748 -16.170 71 HE22 GLN 9 2HE2 GLN 9 3.221 21.522 -17.035 72 H ASP 10 H ASP 10 7.768 16.366 -16.300 73 HA ASP 10 HA ASP 10 10.243 16.689 -17.704 74 HB2 ASP 10 1HB ASP 10 9.384 14.825 -15.463 75 HB3 ASP 10 2HB ASP 10 11.025 14.855 -16.094 76 H LEU 11 H LEU 11 7.703 14.294 -17.854 77 HA LEU 11 HA LEU 11 9.160 12.153 -19.015 78 HB2 LEU 11 1HB LEU 11 6.268 13.024 -19.249 79 HB3 LEU 11 2HB LEU 11 6.881 11.564 -20.031 80 HG LEU 11 HG LEU 11 6.933 12.085 -17.037 81 HD11 LEU 11 1HD1 LEU 11 5.125 10.425 -16.956 82 HD12 LEU 11 2HD1 LEU 11 4.656 11.863 -17.892 83 HD13 LEU 11 3HD1 LEU 11 5.105 10.361 -18.733 84 HD21 LEU 11 1HD2 LEU 11 7.524 9.688 -16.930 85 HD22 LEU 11 2HD2 LEU 11 7.537 9.611 -18.709 86 HD23 LEU 11 3HD2 LEU 11 8.738 10.607 -17.852 87 H THR 12 H THR 12 8.163 15.207 -20.318 88 HA THR 12 HA THR 12 7.837 14.351 -23.048 89 HB THR 12 HB THR 12 7.814 16.757 -23.592 90 HG1 THR 12 HG1 THR 12 8.564 17.118 -20.857 91 HG21 THR 12 1HG2 THR 12 5.957 17.442 -22.125 92 HG22 THR 12 2HG2 THR 12 5.780 15.743 -22.623 93 HG23 THR 12 3HG2 THR 12 6.365 16.134 -20.990 94 H ASN 13 H ASN 13 10.580 14.729 -21.124 95 HA ASN 13 HA ASN 13 12.401 15.478 -23.282 96 HB2 ASN 13 1HB ASN 13 12.820 14.422 -20.474 97 HB3 ASN 13 2HB ASN 13 14.149 14.720 -21.586 98 HD21 ASN 13 1HD2 ASN 13 13.431 17.683 -19.370 99 HD22 ASN 13 2HD2 ASN 13 13.611 15.991 -19.051 100 H ASN 14 H ASN 14 10.871 12.595 -22.224 101 HA ASN 14 HA ASN 14 12.891 10.963 -23.707 102 HB2 ASN 14 1HB ASN 14 11.052 10.209 -21.414 103 HB3 ASN 14 2HB ASN 14 11.989 9.047 -22.343 104 HD21 ASN 14 1HD2 ASN 14 13.785 10.125 -19.224 105 HD22 ASN 14 2HD2 ASN 14 12.173 9.574 -19.536 106 H ILE 15 H ILE 15 9.445 11.558 -23.180 107 HA ILE 15 HA ILE 15 8.942 10.085 -25.731 108 HB ILE 15 HB ILE 15 6.621 9.625 -24.786 109 HG12 ILE 15 1HG1 ILE 15 6.681 9.584 -22.185 110 HG13 ILE 15 2HG1 ILE 15 7.924 10.813 -22.353 111 HG21 ILE 15 1HG2 ILE 15 7.367 7.717 -23.421 112 HG22 ILE 15 2HG2 ILE 15 8.371 7.890 -24.879 113 HG23 ILE 15 3HG2 ILE 15 8.992 8.431 -23.302 114 HD11 ILE 15 1HD1 ILE 15 5.735 11.820 -22.031 115 HD12 ILE 15 2HD1 ILE 15 6.377 12.220 -23.642 116 HD13 ILE 15 3HD1 ILE 15 5.116 10.975 -23.470 117 H THR 16 H THR 16 6.759 10.750 -26.696 118 HA THR 16 HA THR 16 7.061 13.644 -27.114 119 HB THR 16 HB THR 16 5.599 13.319 -29.058 120 HG1 THR 16 HG1 THR 16 5.430 10.563 -28.389 121 HG21 THR 16 1HG2 THR 16 6.971 11.704 -30.314 122 HG22 THR 16 2HG2 THR 16 7.992 12.748 -29.297 123 HG23 THR 16 3HG2 THR 16 7.641 11.080 -28.790 124 H LEU 17 H LEU 17 5.035 14.942 -27.516 125 HA LEU 17 HA LEU 17 3.545 15.059 -25.079 126 HB2 LEU 17 1HB LEU 17 3.111 16.357 -27.788 127 HB3 LEU 17 2HB LEU 17 2.130 16.721 -26.366 128 HG LEU 17 HG LEU 17 5.130 17.168 -26.563 129 HD11 LEU 17 1HD1 LEU 17 4.532 19.543 -26.724 130 HD12 LEU 17 2HD1 LEU 17 3.890 18.609 -28.095 131 HD13 LEU 17 3HD1 LEU 17 2.808 19.106 -26.772 132 HD21 LEU 17 1HD2 LEU 17 4.774 18.448 -24.478 133 HD22 LEU 17 2HD2 LEU 17 3.052 17.995 -24.494 134 HD23 LEU 17 3HD2 LEU 17 4.298 16.744 -24.273 135 H GLU 18 H GLU 18 2.839 13.701 -28.274 136 HA GLU 18 HA GLU 18 0.116 13.005 -27.759 137 HB2 GLU 18 1HB GLU 18 1.022 12.951 -30.021 138 HB3 GLU 18 2HB GLU 18 2.207 11.734 -29.568 139 HG2 GLU 18 1HG GLU 18 0.438 10.694 -30.801 140 HG3 GLU 18 2HG GLU 18 0.381 10.129 -29.133 141 H ASP 19 H ASP 19 3.161 11.204 -27.276 142 HA ASP 19 HA ASP 19 2.017 8.860 -26.164 143 HB2 ASP 19 1HB ASP 19 4.684 10.229 -25.646 144 HB3 ASP 19 2HB ASP 19 4.260 8.662 -24.969 145 H LEU 20 H LEU 20 3.007 11.919 -24.626 146 HA LEU 20 HA LEU 20 2.567 11.116 -21.943 147 HB2 LEU 20 1HB LEU 20 3.771 13.165 -22.562 148 HB3 LEU 20 2HB LEU 20 2.287 13.860 -23.223 149 HG LEU 20 HG LEU 20 1.296 13.855 -20.939 150 HD11 LEU 20 1HD1 LEU 20 2.758 13.419 -19.015 151 HD12 LEU 20 2HD1 LEU 20 2.553 11.971 -20.027 152 HD13 LEU 20 3HD1 LEU 20 4.059 12.914 -20.118 153 HD21 LEU 20 1HD2 LEU 20 2.706 15.694 -20.077 154 HD22 LEU 20 2HD2 LEU 20 4.008 15.221 -21.195 155 HD23 LEU 20 3HD2 LEU 20 2.467 15.841 -21.835 156 H GLU 21 H GLU 21 0.373 12.653 -24.298 157 HA GLU 21 HA GLU 21 -1.815 12.962 -22.487 158 HB2 GLU 21 1HB GLU 21 -1.701 12.743 -25.518 159 HB3 GLU 21 2HB GLU 21 -3.185 13.072 -24.636 160 HG2 GLU 21 1HG GLU 21 -0.692 14.787 -24.581 161 HG3 GLU 21 2HG GLU 21 -2.139 15.101 -25.537 162 H GLN 22 H GLN 22 -0.829 10.309 -24.621 163 HA GLN 22 HA GLN 22 -3.104 8.639 -24.074 164 HB2 GLN 22 1HB GLN 22 -0.261 7.997 -24.946 165 HB3 GLN 22 2HB GLN 22 -1.517 6.777 -24.786 166 HG2 GLN 22 1HG GLN 22 -2.866 7.898 -26.481 167 HG3 GLN 22 2HG GLN 22 -1.630 9.180 -26.622 168 HE21 GLN 22 1HE2 GLN 22 -0.578 7.272 -29.402 169 HE22 GLN 22 2HE2 GLN 22 -1.513 8.637 -28.886 170 H LEU 23 H LEU 23 0.036 9.090 -22.488 171 HA LEU 23 HA LEU 23 -0.311 6.976 -20.573 172 HB2 LEU 23 1HB LEU 23 1.365 9.507 -20.532 173 HB3 LEU 23 2HB LEU 23 1.441 8.263 -19.281 174 HG LEU 23 HG LEU 23 2.092 7.802 -22.213 175 HD11 LEU 23 1HD1 LEU 23 4.426 7.763 -21.456 176 HD12 LEU 23 2HD1 LEU 23 3.669 9.348 -21.171 177 HD13 LEU 23 3HD1 LEU 23 3.903 8.216 -19.818 178 HD21 LEU 23 1HD2 LEU 23 3.028 5.682 -21.357 179 HD22 LEU 23 2HD2 LEU 23 2.486 6.104 -19.715 180 HD23 LEU 23 3HD2 LEU 23 1.290 5.804 -20.998 181 H LYS 24 H LYS 24 -1.329 10.345 -20.708 182 HA LYS 24 HA LYS 24 -2.191 10.584 -17.995 183 HB2 LYS 24 1HB LYS 24 -3.096 11.925 -20.564 184 HB3 LYS 24 2HB LYS 24 -3.790 12.326 -18.999 185 HG2 LYS 24 1HG LYS 24 -1.566 13.002 -18.175 186 HG3 LYS 24 2HG LYS 24 -0.864 12.594 -19.747 187 HD2 LYS 24 1HD LYS 24 -2.314 14.272 -20.838 188 HD3 LYS 24 2HD LYS 24 -3.034 14.672 -19.271 189 HE2 LYS 24 1HE LYS 24 -0.847 15.413 -18.431 190 HE3 LYS 24 2HE LYS 24 -0.085 14.959 -19.957 191 HZ1 LYS 24 1HZ LYS 24 -0.555 17.296 -19.866 192 HZ2 LYS 24 2HZ LYS 24 -1.454 16.594 -21.059 193 HZ3 LYS 24 3HZ LYS 24 -2.163 17.019 -19.632 194 H SER 25 H SER 25 -3.863 9.452 -20.931 195 HA SER 25 HA SER 25 -6.367 8.957 -19.614 196 HB2 SER 25 1HB SER 25 -6.980 7.783 -21.614 197 HB3 SER 25 2HB SER 25 -6.036 9.188 -22.087 198 HG SER 25 HG SER 25 -4.212 7.599 -21.894 199 H ALA 26 H ALA 26 -3.440 7.038 -20.104 200 HA ALA 26 HA ALA 26 -4.469 4.596 -19.026 201 HB1 ALA 26 1HB ALA 26 -2.094 4.026 -18.632 202 HB2 ALA 26 2HB ALA 26 -2.351 4.697 -20.260 203 HB3 ALA 26 3HB ALA 26 -1.642 5.711 -18.982 204 H CYS 27 H CYS 27 -2.919 7.421 -17.523 205 HA CYS 27 HA CYS 27 -2.898 6.431 -14.857 206 HB2 CYS 27 1HB CYS 27 -1.701 8.478 -15.572 207 HB3 CYS 27 2HB CYS 27 -3.237 9.293 -15.837 208 HG CYS 27 HG CYS 27 -4.061 9.179 -13.399 209 H LYS 28 H LYS 28 -5.384 8.190 -16.705 210 HA LYS 28 HA LYS 28 -7.246 8.555 -14.608 211 HB2 LYS 28 1HB LYS 28 -7.637 8.149 -17.593 212 HB3 LYS 28 2HB LYS 28 -8.965 8.517 -16.501 213 HG2 LYS 28 1HG LYS 28 -7.887 10.638 -15.878 214 HG3 LYS 28 2HG LYS 28 -6.528 10.266 -16.948 215 HD2 LYS 28 1HD LYS 28 -8.075 10.204 -18.885 216 HD3 LYS 28 2HD LYS 28 -9.426 10.599 -17.810 217 HE2 LYS 28 1HE LYS 28 -8.329 12.732 -17.212 218 HE3 LYS 28 2HE LYS 28 -6.976 12.340 -18.275 219 HZ1 LYS 28 1HZ LYS 28 -8.543 13.788 -19.342 220 HZ2 LYS 28 2HZ LYS 28 -8.504 12.337 -20.125 221 HZ3 LYS 28 3HZ LYS 28 -9.769 12.705 -19.132 222 H GLU 29 H GLU 29 -6.670 5.764 -16.719 223 HA GLU 29 HA GLU 29 -8.857 4.220 -15.600 224 HB2 GLU 29 1HB GLU 29 -8.050 3.700 -17.833 225 HB3 GLU 29 2HB GLU 29 -6.416 3.438 -17.239 226 HG2 GLU 29 1HG GLU 29 -7.462 1.324 -17.691 227 HG3 GLU 29 2HG GLU 29 -7.196 1.484 -15.956 228 H ASP 30 H ASP 30 -5.346 4.413 -15.038 229 HA ASP 30 HA ASP 30 -5.306 2.063 -13.357 230 HB2 ASP 30 1HB ASP 30 -3.300 4.292 -13.851 231 HB3 ASP 30 2HB ASP 30 -2.978 2.954 -12.756 232 H ILE 31 H ILE 31 -5.220 5.572 -12.716 233 HA ILE 31 HA ILE 31 -5.543 4.951 -9.815 234 HB ILE 31 HB ILE 31 -4.525 7.477 -11.186 235 HG12 ILE 31 1HG1 ILE 31 -3.060 5.489 -9.438 236 HG13 ILE 31 2HG1 ILE 31 -2.993 5.506 -11.193 237 HG21 ILE 31 1HG2 ILE 31 -4.055 8.270 -8.903 238 HG22 ILE 31 2HG2 ILE 31 -5.797 7.995 -9.138 239 HG23 ILE 31 3HG2 ILE 31 -4.824 6.812 -8.233 240 HD11 ILE 31 1HD1 ILE 31 -1.055 6.614 -10.231 241 HD12 ILE 31 2HD1 ILE 31 -2.048 7.773 -11.148 242 HD13 ILE 31 3HD1 ILE 31 -2.113 7.756 -9.370 243 HA PRO 32 HA PRO 32 -9.766 6.203 -10.336 244 HB2 PRO 32 1HB PRO 32 -9.452 6.286 -7.313 245 HB3 PRO 32 2HB PRO 32 -10.754 5.576 -8.276 246 HG2 PRO 32 1HG PRO 32 -8.929 3.945 -7.231 247 HG3 PRO 32 2HG PRO 32 -9.453 3.680 -8.896 248 HD2 PRO 32 1HD PRO 32 -6.930 5.045 -7.873 249 HD3 PRO 32 2HD PRO 32 -7.117 3.871 -9.237 250 H SER 33 H SER 33 -10.793 8.187 -10.266 251 HA SER 33 HA SER 33 -9.142 10.498 -10.123 252 HB2 SER 33 1HB SER 33 -11.170 11.758 -10.495 253 HB3 SER 33 2HB SER 33 -11.218 10.302 -11.477 254 HG SER 33 HG SER 33 -12.755 11.078 -9.367 255 H GLU 34 H GLU 34 -11.202 8.929 -7.744 256 HA GLU 34 HA GLU 34 -11.184 11.050 -5.813 257 HB2 GLU 34 1HB GLU 34 -11.480 8.036 -5.523 258 HB3 GLU 34 2HB GLU 34 -11.646 9.155 -4.178 259 HG2 GLU 34 1HG GLU 34 -13.533 10.245 -5.277 260 HG3 GLU 34 2HG GLU 34 -13.344 9.200 -6.683 261 H LYS 35 H LYS 35 -8.970 8.368 -6.498 262 HA LYS 35 HA LYS 35 -7.284 9.037 -4.191 263 HB2 LYS 35 1HB LYS 35 -6.893 7.066 -6.478 264 HB3 LYS 35 2HB LYS 35 -5.804 7.234 -5.107 265 HG2 LYS 35 1HG LYS 35 -8.705 6.355 -5.001 266 HG3 LYS 35 2HG LYS 35 -7.276 5.335 -4.790 267 HD2 LYS 35 1HD LYS 35 -6.660 6.529 -2.758 268 HD3 LYS 35 2HD LYS 35 -7.973 7.691 -3.000 269 HE2 LYS 35 1HE LYS 35 -9.614 5.810 -2.820 270 HE3 LYS 35 2HE LYS 35 -8.276 4.713 -2.467 271 HZ1 LYS 35 1HZ LYS 35 -9.334 5.485 -0.473 272 HZ2 LYS 35 2HZ LYS 35 -7.781 6.037 -0.527 273 HZ3 LYS 35 3HZ LYS 35 -9.031 7.060 -0.856 274 H SER 36 H SER 36 -7.449 9.774 -7.597 275 HA SER 36 HA SER 36 -4.828 10.804 -7.964 276 HB2 SER 36 1HB SER 36 -6.438 10.499 -9.795 277 HB3 SER 36 2HB SER 36 -7.469 11.752 -9.123 278 HG SER 36 HG SER 36 -5.750 13.197 -9.377 279 H GLU 37 H GLU 37 -7.777 12.312 -6.652 280 HA GLU 37 HA GLU 37 -6.380 14.826 -6.117 281 HB2 GLU 37 1HB GLU 37 -9.137 13.793 -5.347 282 HB3 GLU 37 2HB GLU 37 -8.539 15.386 -4.904 283 HG2 GLU 37 1HG GLU 37 -8.287 15.950 -7.294 284 HG3 GLU 37 2HG GLU 37 -8.911 14.359 -7.726 285 H GLU 38 H GLU 38 -7.565 12.048 -4.229 286 HA GLU 38 HA GLU 38 -6.954 13.170 -1.672 287 HB2 GLU 38 1HB GLU 38 -8.500 11.266 -1.977 288 HB3 GLU 38 2HB GLU 38 -7.171 10.255 -2.527 289 HG2 GLU 38 1HG GLU 38 -6.096 10.465 -0.320 290 HG3 GLU 38 2HG GLU 38 -7.434 11.472 0.231 291 H ILE 39 H ILE 39 -5.151 10.868 -3.735 292 HA ILE 39 HA ILE 39 -2.898 11.008 -1.812 293 HB ILE 39 HB ILE 39 -3.359 9.177 -4.206 294 HG12 ILE 39 1HG1 ILE 39 -4.953 8.738 -2.444 295 HG13 ILE 39 2HG1 ILE 39 -3.767 7.445 -2.526 296 HG21 ILE 39 1HG2 ILE 39 -1.458 7.899 -3.302 297 HG22 ILE 39 2HG2 ILE 39 -0.965 9.548 -3.748 298 HG23 ILE 39 3HG2 ILE 39 -1.226 9.131 -2.039 299 HD11 ILE 39 1HD1 ILE 39 -4.271 8.026 -0.219 300 HD12 ILE 39 2HD1 ILE 39 -2.573 8.399 -0.602 301 HD13 ILE 39 3HD1 ILE 39 -3.775 9.709 -0.517 302 H THR 40 H THR 40 -1.034 11.998 -2.196 303 HA THR 40 HA THR 40 -0.587 13.046 -4.961 304 HB THR 40 HB THR 40 0.600 14.967 -3.928 305 HG1 THR 40 HG1 THR 40 0.923 15.044 -1.819 306 HG21 THR 40 1HG2 THR 40 -1.381 16.116 -3.022 307 HG22 THR 40 2HG2 THR 40 -1.801 15.170 -4.469 308 HG23 THR 40 3HG2 THR 40 -2.215 14.554 -2.852 309 H THR 41 H THR 41 0.371 10.690 -3.007 310 HA THR 41 HA THR 41 3.260 11.023 -3.700 311 HB THR 41 HB THR 41 2.967 11.024 -1.270 312 HG1 THR 41 HG1 THR 41 4.580 9.645 -1.022 313 HG21 THR 41 1HG2 THR 41 1.984 9.081 -0.116 314 HG22 THR 41 2HG2 THR 41 0.789 9.861 -1.181 315 HG23 THR 41 3HG2 THR 41 1.579 8.349 -1.686 316 H GLY 42 H GLY 42 4.381 9.318 -4.565 317 HA2 GLY 42 1HA GLY 42 2.818 7.531 -6.216 318 HA3 GLY 42 2HA GLY 42 4.565 7.560 -6.080 319 H SER 43 H SER 43 4.139 7.356 -3.019 320 HA SER 43 HA SER 43 4.550 4.528 -2.844 321 HB2 SER 43 1HB SER 43 5.473 6.107 -1.213 322 HB3 SER 43 2HB SER 43 3.856 6.566 -0.703 323 HG SER 43 HG SER 43 5.204 4.138 -0.390 324 H ALA 44 H ALA 44 1.855 6.503 -1.530 325 HA ALA 44 HA ALA 44 0.209 4.238 -0.966 326 HB1 ALA 44 1HB ALA 44 -1.611 5.895 -0.718 327 HB2 ALA 44 2HB ALA 44 -0.127 6.416 0.116 328 HB3 ALA 44 3HB ALA 44 -0.568 7.138 -1.448 329 H TRP 45 H TRP 45 0.437 6.388 -3.779 330 HA TRP 45 HA TRP 45 -1.737 5.442 -5.274 331 HB2 TRP 45 1HB TRP 45 0.925 6.634 -5.917 332 HB3 TRP 45 2HB TRP 45 0.108 5.802 -7.232 333 HD1 TRP 45 HD1 TRP 45 -2.878 6.823 -5.922 334 HE1 TRP 45 HE1 TRP 45 -3.626 9.213 -6.568 335 HE3 TRP 45 HE3 TRP 45 1.666 8.704 -7.375 336 HZ2 TRP 45 HZ2 TRP 45 -2.425 11.568 -7.557 337 HZ3 TRP 45 HZ3 TRP 45 1.798 11.034 -8.164 338 HH2 TRP 45 HH2 TRP 45 -0.211 12.449 -8.253 339 H PHE 46 H PHE 46 1.602 4.154 -5.198 340 HA PHE 46 HA PHE 46 1.143 2.048 -7.049 341 HB2 PHE 46 1HB PHE 46 3.387 2.899 -6.219 342 HB3 PHE 46 2HB PHE 46 3.107 2.016 -4.727 343 HD1 PHE 46 HD1 PHE 46 3.606 1.656 -8.372 344 HD2 PHE 46 HD2 PHE 46 3.432 -0.330 -4.593 345 HE1 PHE 46 HE1 PHE 46 4.556 -0.382 -9.401 346 HE2 PHE 46 HE2 PHE 46 4.384 -2.369 -5.619 347 HZ PHE 46 HZ PHE 46 4.944 -2.395 -8.025 348 H SER 47 H SER 47 0.856 2.164 -3.502 349 HA SER 47 HA SER 47 0.233 -0.560 -3.064 350 HB2 SER 47 1HB SER 47 0.685 1.043 -1.258 351 HB3 SER 47 2HB SER 47 -0.798 1.909 -1.630 352 HG SER 47 HG SER 47 -1.916 0.450 -0.699 353 H PHE 48 H PHE 48 -1.884 2.182 -3.907 354 HA PHE 48 HA PHE 48 -4.307 0.617 -3.836 355 HB2 PHE 48 1HB PHE 48 -3.579 3.307 -5.032 356 HB3 PHE 48 2HB PHE 48 -5.174 2.603 -5.254 357 HD1 PHE 48 HD1 PHE 48 -3.423 4.869 -3.369 358 HD2 PHE 48 HD2 PHE 48 -6.139 1.607 -2.882 359 HE1 PHE 48 HE1 PHE 48 -4.129 5.786 -1.184 360 HE2 PHE 48 HE2 PHE 48 -6.848 2.521 -0.697 361 HZ PHE 48 HZ PHE 48 -5.841 4.610 0.153 362 H LEU 49 H LEU 49 -1.962 1.457 -6.350 363 HA LEU 49 HA LEU 49 -3.448 0.496 -8.580 364 HB2 LEU 49 1HB LEU 49 -0.469 0.707 -8.052 365 HB3 LEU 49 2HB LEU 49 -1.132 0.182 -9.603 366 HG LEU 49 HG LEU 49 -1.667 2.885 -8.320 367 HD11 LEU 49 1HD1 LEU 49 -0.136 3.747 -10.033 368 HD12 LEU 49 2HD1 LEU 49 0.683 2.620 -8.927 369 HD13 LEU 49 3HD1 LEU 49 0.215 2.084 -10.557 370 HD21 LEU 49 1HD2 LEU 49 -2.570 3.428 -10.555 371 HD22 LEU 49 2HD2 LEU 49 -2.254 1.759 -11.088 372 HD23 LEU 49 3HD2 LEU 49 -3.460 2.075 -9.817 373 H GLU 50 H GLU 50 -1.175 -1.137 -6.372 374 HA GLU 50 HA GLU 50 -1.427 -3.727 -7.579 375 HB2 GLU 50 1HB GLU 50 0.371 -3.094 -5.966 376 HB3 GLU 50 2HB GLU 50 -0.825 -3.004 -4.681 377 HG2 GLU 50 1HG GLU 50 -1.284 -5.374 -4.865 378 HG3 GLU 50 2HG GLU 50 -0.228 -5.508 -6.270 379 H SER 51 H SER 51 -3.179 -2.115 -4.925 380 HA SER 51 HA SER 51 -4.778 -4.338 -4.177 381 HB2 SER 51 1HB SER 51 -5.359 -1.361 -4.044 382 HB3 SER 51 2HB SER 51 -6.325 -2.597 -3.251 383 HG SER 51 HG SER 51 -3.618 -1.969 -2.842 384 H HIS 52 H HIS 52 -5.171 -1.916 -6.721 385 HA HIS 52 HA HIS 52 -7.869 -2.981 -7.372 386 HB2 HIS 52 1HB HIS 52 -6.324 -0.586 -8.430 387 HB3 HIS 52 2HB HIS 52 -7.913 -1.074 -9.002 388 HD1 HIS 52 HD1 HIS 52 -9.659 -1.420 -6.719 389 HD2 HIS 52 HD2 HIS 52 -6.573 1.439 -6.474 390 HE1 HIS 52 HE1 HIS 52 -10.362 0.186 -5.018 391 H ASN 53 H ASN 53 -4.867 -3.970 -7.993 392 HA ASN 53 HA ASN 53 -3.911 -5.239 -9.661 393 HB2 ASN 53 1HB ASN 53 -6.831 -5.709 -10.345 394 HB3 ASN 53 2HB ASN 53 -5.489 -6.632 -11.007 395 HD21 ASN 53 1HD2 ASN 53 -7.122 -8.034 -7.802 396 HD22 ASN 53 2HD2 ASN 53 -7.849 -7.155 -9.106 397 H LYS 54 H LYS 54 -3.936 -2.537 -10.204 398 HA LYS 54 HA LYS 54 -4.620 -2.372 -13.091 399 HB2 LYS 54 1HB LYS 54 -3.701 -0.225 -11.138 400 HB3 LYS 54 2HB LYS 54 -4.097 0.051 -12.828 401 HG2 LYS 54 1HG LYS 54 -6.042 -0.988 -10.744 402 HG3 LYS 54 2HG LYS 54 -5.914 0.694 -11.280 403 HD2 LYS 54 1HD LYS 54 -6.419 -0.040 -13.611 404 HD3 LYS 54 2HD LYS 54 -6.620 -1.697 -13.022 405 HE2 LYS 54 1HE LYS 54 -8.434 -0.902 -11.502 406 HE3 LYS 54 2HE LYS 54 -8.267 0.717 -12.184 407 HZ1 LYS 54 1HZ LYS 54 -10.034 -0.499 -13.225 408 HZ2 LYS 54 2HZ LYS 54 -8.849 -0.188 -14.328 409 HZ3 LYS 54 3HZ LYS 54 -9.006 -1.701 -13.691 410 H LEU 55 H LEU 55 -2.037 -3.169 -11.100 411 HA LEU 55 HA LEU 55 0.058 -2.085 -12.840 412 HB2 LEU 55 1HB LEU 55 0.170 -4.051 -10.525 413 HB3 LEU 55 2HB LEU 55 1.580 -3.389 -11.359 414 HG LEU 55 HG LEU 55 -0.442 -1.753 -9.785 415 HD11 LEU 55 1HD1 LEU 55 1.358 -1.565 -8.128 416 HD12 LEU 55 2HD1 LEU 55 0.848 -3.255 -8.355 417 HD13 LEU 55 3HD1 LEU 55 2.361 -2.676 -9.092 418 HD21 LEU 55 1HD2 LEU 55 1.238 0.039 -10.054 419 HD22 LEU 55 2HD2 LEU 55 2.241 -1.048 -11.046 420 HD23 LEU 55 3HD2 LEU 55 0.645 -0.525 -11.635 421 H ASP 56 H ASP 56 -1.016 -3.146 -14.755 422 HA ASP 56 HA ASP 56 0.521 -5.607 -15.287 423 HB2 ASP 56 1HB ASP 56 -1.408 -6.804 -16.226 424 HB3 ASP 56 2HB ASP 56 -1.651 -6.476 -14.516 425 H LYS 57 H LYS 57 -0.361 -6.281 -17.734 426 HA LYS 57 HA LYS 57 -0.027 -5.707 -19.946 427 HB2 LYS 57 1HB LYS 57 -1.678 -3.302 -19.072 428 HB3 LYS 57 2HB LYS 57 -1.386 -3.770 -20.741 429 HG2 LYS 57 1HG LYS 57 -2.549 -5.921 -20.333 430 HG3 LYS 57 2HG LYS 57 -2.875 -5.409 -18.670 431 HD2 LYS 57 1HD LYS 57 -4.115 -3.435 -19.537 432 HD3 LYS 57 2HD LYS 57 -3.820 -3.993 -21.190 433 HE2 LYS 57 1HE LYS 57 -5.054 -6.075 -20.721 434 HE3 LYS 57 2HE LYS 57 -5.326 -5.551 -19.057 435 HZ1 LYS 57 1HZ LYS 57 -7.216 -5.105 -20.443 436 HZ2 LYS 57 2HZ LYS 57 -6.570 -3.685 -19.911 437 HZ3 LYS 57 3HZ LYS 57 -6.316 -4.175 -21.464 438 H ASP 58 H ASP 58 2.114 -5.006 -18.241 439 HA ASP 58 HA ASP 58 4.081 -3.814 -18.324 440 HB2 ASP 58 1HB ASP 58 3.056 -3.049 -21.087 441 HB3 ASP 58 2HB ASP 58 4.692 -2.766 -20.510 442 H ASN 59 H ASN 59 1.713 -2.568 -17.179 443 HA ASN 59 HA ASN 59 2.059 0.290 -17.701 444 HB2 ASN 59 1HB ASN 59 0.559 -1.291 -15.599 445 HB3 ASN 59 2HB ASN 59 0.670 0.464 -15.555 446 HD21 ASN 59 1HD2 ASN 59 -2.428 -0.646 -17.334 447 HD22 ASN 59 2HD2 ASN 59 -1.719 -1.024 -15.799 448 H LEU 60 H LEU 60 3.675 -2.103 -15.868 449 HA LEU 60 HA LEU 60 4.722 -0.457 -13.775 450 HB2 LEU 60 1HB LEU 60 5.798 -2.952 -15.129 451 HB3 LEU 60 2HB LEU 60 6.561 -2.199 -13.724 452 HG LEU 60 HG LEU 60 3.738 -3.325 -13.773 453 HD11 LEU 60 1HD1 LEU 60 4.692 -5.145 -12.432 454 HD12 LEU 60 2HD1 LEU 60 5.425 -5.068 -14.050 455 HD13 LEU 60 3HD1 LEU 60 6.316 -4.448 -12.640 456 HD21 LEU 60 1HD2 LEU 60 3.901 -3.036 -11.324 457 HD22 LEU 60 2HD2 LEU 60 5.515 -2.309 -11.516 458 HD23 LEU 60 3HD2 LEU 60 4.080 -1.478 -12.165 459 H SER 61 H SER 61 5.575 -0.876 -17.147 460 HA SER 61 HA SER 61 8.142 0.312 -17.143 461 HB2 SER 61 1HB SER 61 7.153 -0.763 -19.113 462 HB3 SER 61 2HB SER 61 5.926 0.491 -19.211 463 HG SER 61 HG SER 61 7.266 1.606 -20.260 464 H TYR 62 H TYR 62 4.929 1.849 -17.511 465 HA TYR 62 HA TYR 62 5.916 4.532 -17.535 466 HB2 TYR 62 1HB TYR 62 3.664 4.043 -18.301 467 HB3 TYR 62 2HB TYR 62 3.219 3.378 -16.735 468 HD1 TYR 62 HD1 TYR 62 4.418 6.541 -18.330 469 HD2 TYR 62 HD2 TYR 62 2.186 4.719 -15.151 470 HE1 TYR 62 HE1 TYR 62 3.628 8.769 -17.607 471 HE2 TYR 62 HE2 TYR 62 1.396 6.946 -14.428 472 HH TYR 62 HH TYR 62 1.481 9.132 -14.782 473 H ILE 63 H ILE 63 4.662 2.505 -14.874 474 HA ILE 63 HA ILE 63 4.801 4.529 -12.886 475 HB ILE 63 HB ILE 63 4.935 1.496 -12.658 476 HG12 ILE 63 1HG1 ILE 63 2.861 2.337 -13.600 477 HG13 ILE 63 2HG1 ILE 63 2.602 1.691 -11.987 478 HG21 ILE 63 1HG2 ILE 63 4.409 1.824 -10.275 479 HG22 ILE 63 2HG2 ILE 63 5.983 2.545 -10.687 480 HG23 ILE 63 3HG2 ILE 63 4.555 3.586 -10.481 481 HD11 ILE 63 1HD1 ILE 63 1.348 3.747 -12.321 482 HD12 ILE 63 2HD1 ILE 63 2.588 3.968 -11.064 483 HD13 ILE 63 3HD1 ILE 63 2.849 4.622 -12.698 484 H GLU 64 H GLU 64 7.157 2.029 -13.841 485 HA GLU 64 HA GLU 64 9.152 2.785 -11.928 486 HB2 GLU 64 1HB GLU 64 9.118 0.620 -13.194 487 HB3 GLU 64 2HB GLU 64 9.533 1.495 -14.661 488 HG2 GLU 64 1HG GLU 64 11.668 2.151 -13.736 489 HG3 GLU 64 2HG GLU 64 11.249 1.457 -12.170 490 H HIS 65 H HIS 65 8.461 3.836 -15.247 491 HA HIS 65 HA HIS 65 10.842 5.343 -15.670 492 HB2 HIS 65 1HB HIS 65 9.204 4.735 -17.452 493 HB3 HIS 65 2HB HIS 65 8.060 5.883 -16.771 494 HD1 HIS 65 HD1 HIS 65 8.401 6.764 -19.388 495 HD2 HIS 65 HD2 HIS 65 11.485 7.657 -16.658 496 HE1 HIS 65 HE1 HIS 65 9.726 8.538 -20.424 497 H ILE 66 H ILE 66 7.672 6.337 -14.363 498 HA ILE 66 HA ILE 66 8.485 9.095 -14.069 499 HB ILE 66 HB ILE 66 6.365 9.356 -12.812 500 HG12 ILE 66 1HG1 ILE 66 6.073 6.355 -13.075 501 HG13 ILE 66 2HG1 ILE 66 6.532 7.186 -11.596 502 HG21 ILE 66 1HG2 ILE 66 4.831 8.635 -14.597 503 HG22 ILE 66 2HG2 ILE 66 6.310 9.352 -15.277 504 HG23 ILE 66 3HG2 ILE 66 6.101 7.585 -15.270 505 HD11 ILE 66 1HD1 ILE 66 4.163 6.637 -11.594 506 HD12 ILE 66 2HD1 ILE 66 4.397 8.401 -11.601 507 HD13 ILE 66 3HD1 ILE 66 3.930 7.558 -13.097 508 H PHE 67 H PHE 67 8.695 6.233 -12.081 509 HA PHE 67 HA PHE 67 9.352 7.680 -9.642 510 HB2 PHE 67 1HB PHE 67 9.636 4.782 -10.499 511 HB3 PHE 67 2HB PHE 67 10.216 5.359 -8.946 512 HD1 PHE 67 HD1 PHE 67 7.589 7.431 -9.332 513 HD2 PHE 67 HD2 PHE 67 8.341 3.253 -8.850 514 HE1 PHE 67 HE1 PHE 67 5.329 7.136 -8.376 515 HE2 PHE 67 HE2 PHE 67 6.080 2.954 -7.895 516 HZ PHE 67 HZ PHE 67 4.574 4.898 -7.657 517 H GLU 68 H GLU 68 11.128 6.279 -12.354 518 HA GLU 68 HA GLU 68 13.743 6.515 -11.225 519 HB2 GLU 68 1HB GLU 68 13.249 5.182 -13.252 520 HB3 GLU 68 2HB GLU 68 12.859 6.650 -14.137 521 HG2 GLU 68 1HG GLU 68 15.173 7.435 -13.871 522 HG3 GLU 68 2HG GLU 68 15.568 5.972 -12.971 523 H ILE 69 H ILE 69 11.885 8.716 -13.349 524 HA ILE 69 HA ILE 69 13.997 10.692 -13.383 525 HB ILE 69 HB ILE 69 12.339 12.127 -14.532 526 HG12 ILE 69 1HG1 ILE 69 10.335 9.920 -14.011 527 HG13 ILE 69 2HG1 ILE 69 10.408 11.422 -13.102 528 HG21 ILE 69 1HG2 ILE 69 11.895 10.655 -16.455 529 HG22 ILE 69 2HG2 ILE 69 13.541 10.409 -15.829 530 HG23 ILE 69 3HG2 ILE 69 12.263 9.230 -15.455 531 HD11 ILE 69 1HD1 ILE 69 8.704 11.527 -14.832 532 HD12 ILE 69 2HD1 ILE 69 10.000 12.703 -15.158 533 HD13 ILE 69 3HD1 ILE 69 9.924 11.182 -16.080 534 H SER 70 H SER 70 11.461 9.918 -11.195 535 HA SER 70 HA SER 70 11.390 12.556 -9.936 536 HB2 SER 70 1HB SER 70 9.944 11.540 -8.319 537 HB3 SER 70 2HB SER 70 9.478 10.931 -9.899 538 HG SER 70 HG SER 70 11.335 9.342 -9.039 539 H ARG 71 H ARG 71 13.551 9.954 -9.953 540 HA ARG 71 HA ARG 71 15.391 9.431 -8.674 541 HB2 ARG 71 1HB ARG 71 14.991 12.237 -7.579 542 HB3 ARG 71 2HB ARG 71 16.428 11.253 -7.348 543 HG2 ARG 71 1HG ARG 71 16.801 11.257 -9.800 544 HG3 ARG 71 2HG ARG 71 15.389 12.326 -9.982 545 HD2 ARG 71 1HD ARG 71 16.464 13.984 -8.574 546 HD3 ARG 71 2HD ARG 71 17.873 12.915 -8.387 547 HE ARG 71 HE ARG 71 17.435 13.253 -11.135 548 HH11 ARG 71 1HH1 ARG 71 18.311 15.204 -8.347 549 HH12 ARG 71 2HH1 ARG 71 19.247 16.347 -9.285 550 HH21 ARG 71 1HH2 ARG 71 18.654 14.743 -12.340 551 HH22 ARG 71 2HH2 ARG 71 19.443 16.086 -11.544 552 H ARG 72 H ARG 72 13.115 8.328 -7.734 553 HA ARG 72 HA ARG 72 13.574 8.474 -4.785 554 HB2 ARG 72 1HB ARG 72 10.960 8.040 -6.265 555 HB3 ARG 72 2HB ARG 72 11.170 7.731 -4.548 556 HG2 ARG 72 1HG ARG 72 11.743 10.109 -4.197 557 HG3 ARG 72 2HG ARG 72 11.474 10.408 -5.931 558 HD2 ARG 72 1HD ARG 72 9.175 9.667 -5.703 559 HD3 ARG 72 2HD ARG 72 9.443 9.364 -3.970 560 HE ARG 72 HE ARG 72 9.072 11.931 -5.290 561 HH11 ARG 72 1HH1 ARG 72 10.235 10.261 -2.426 562 HH12 ARG 72 2HH1 ARG 72 10.083 11.664 -1.393 563 HH21 ARG 72 1HH2 ARG 72 8.879 13.745 -3.939 564 HH22 ARG 72 2HH2 ARG 72 9.316 13.637 -2.248 565 HA PRO 73 HA PRO 73 14.798 4.331 -6.276 566 HB2 PRO 73 1HB PRO 73 16.142 4.559 -3.557 567 HB3 PRO 73 2HB PRO 73 16.782 3.879 -5.058 568 HG2 PRO 73 1HG PRO 73 17.579 6.314 -4.339 569 HG3 PRO 73 2HG PRO 73 17.165 6.018 -6.030 570 HD2 PRO 73 1HD PRO 73 15.503 7.343 -3.852 571 HD3 PRO 73 2HD PRO 73 15.712 7.831 -5.581 572 H ASP 74 H ASP 74 13.527 5.521 -3.192 573 HA ASP 74 HA ASP 74 12.809 3.060 -1.995 574 HB2 ASP 74 1HB ASP 74 11.554 5.823 -1.828 575 HB3 ASP 74 2HB ASP 74 10.996 4.467 -0.858 576 H LEU 75 H LEU 75 11.109 5.062 -4.382 577 HA LEU 75 HA LEU 75 8.745 3.341 -4.322 578 HB2 LEU 75 1HB LEU 75 9.557 5.609 -6.173 579 HB3 LEU 75 2HB LEU 75 7.996 4.784 -6.218 580 HG LEU 75 HG LEU 75 9.074 6.483 -3.942 581 HD11 LEU 75 1HD1 LEU 75 7.222 7.972 -4.559 582 HD12 LEU 75 2HD1 LEU 75 8.367 7.753 -5.905 583 HD13 LEU 75 3HD1 LEU 75 6.808 6.894 -5.913 584 HD21 LEU 75 1HD2 LEU 75 6.854 6.103 -2.925 585 HD22 LEU 75 2HD2 LEU 75 6.433 4.998 -4.256 586 HD23 LEU 75 3HD2 LEU 75 7.738 4.571 -3.124 587 H LEU 76 H LEU 76 11.616 3.777 -6.335 588 HA LEU 76 HA LEU 76 10.886 1.970 -8.418 589 HB2 LEU 76 1HB LEU 76 13.573 2.734 -7.235 590 HB3 LEU 76 2HB LEU 76 13.402 1.681 -8.643 591 HG LEU 76 HG LEU 76 12.395 4.545 -8.511 592 HD11 LEU 76 1HD1 LEU 76 14.339 5.065 -9.916 593 HD12 LEU 76 2HD1 LEU 76 14.827 4.451 -8.320 594 HD13 LEU 76 3HD1 LEU 76 14.910 3.390 -9.746 595 HD21 LEU 76 1HD2 LEU 76 12.203 4.258 -10.959 596 HD22 LEU 76 2HD2 LEU 76 12.745 2.570 -10.804 597 HD23 LEU 76 3HD2 LEU 76 11.193 3.074 -10.095 598 H THR 77 H THR 77 12.332 1.468 -5.218 599 HA THR 77 HA THR 77 12.835 -1.322 -5.481 600 HB THR 77 HB THR 77 12.097 0.289 -2.999 601 HG1 THR 77 HG1 THR 77 14.012 1.026 -3.889 602 HG21 THR 77 1HG2 THR 77 13.155 -1.559 -1.760 603 HG22 THR 77 2HG2 THR 77 11.746 -2.136 -2.680 604 HG23 THR 77 3HG2 THR 77 13.391 -2.451 -3.280 605 H MET 78 H MET 78 9.935 0.466 -4.457 606 HA MET 78 HA MET 78 8.359 -1.787 -3.750 607 HB2 MET 78 1HB MET 78 7.586 0.935 -4.857 608 HB3 MET 78 2HB MET 78 6.411 -0.246 -4.296 609 HG2 MET 78 1HG MET 78 7.314 -0.151 -2.044 610 HG3 MET 78 2HG MET 78 8.624 0.907 -2.575 611 HE1 MET 78 1HE MET 78 4.172 2.091 -2.231 612 HE2 MET 78 2HE MET 78 4.729 0.847 -3.379 613 HE3 MET 78 3HE MET 78 4.879 0.573 -1.626 614 H VAL 79 H VAL 79 8.861 -0.189 -6.884 615 HA VAL 79 HA VAL 79 7.057 -1.793 -8.387 616 HB VAL 79 HB VAL 79 9.668 -0.438 -9.180 617 HG11 VAL 79 1HG1 VAL 79 8.923 -0.680 -11.498 618 HG12 VAL 79 2HG1 VAL 79 9.206 -2.256 -10.721 619 HG13 VAL 79 3HG1 VAL 79 7.544 -1.662 -10.952 620 HG21 VAL 79 1HG2 VAL 79 8.140 1.250 -10.149 621 HG22 VAL 79 2HG2 VAL 79 6.741 0.324 -9.555 622 HG23 VAL 79 3HG2 VAL 79 7.872 1.069 -8.399 623 H VAL 80 H VAL 80 10.519 -2.228 -7.623 624 HA VAL 80 HA VAL 80 10.851 -4.643 -9.112 625 HB VAL 80 HB VAL 80 12.319 -3.560 -6.673 626 HG11 VAL 80 1HG1 VAL 80 14.095 -5.154 -7.211 627 HG12 VAL 80 2HG1 VAL 80 12.581 -5.972 -6.760 628 HG13 VAL 80 3HG1 VAL 80 13.066 -5.876 -8.469 629 HG21 VAL 80 1HG2 VAL 80 14.029 -2.954 -8.355 630 HG22 VAL 80 2HG2 VAL 80 12.990 -3.605 -9.644 631 HG23 VAL 80 3HG2 VAL 80 12.468 -2.179 -8.716 632 H ASP 81 H ASP 81 9.929 -4.014 -5.731 633 HA ASP 81 HA ASP 81 9.914 -6.708 -4.844 634 HB2 ASP 81 1HB ASP 81 8.317 -4.274 -3.979 635 HB3 ASP 81 2HB ASP 81 8.170 -5.830 -3.173 636 H TYR 82 H TYR 82 7.294 -4.722 -6.247 637 HA TYR 82 HA TYR 82 5.318 -6.774 -6.244 638 HB2 TYR 82 1HB TYR 82 4.724 -4.436 -6.616 639 HB3 TYR 82 2HB TYR 82 5.698 -4.375 -8.079 640 HD1 TYR 82 HD1 TYR 82 2.703 -5.980 -6.560 641 HD2 TYR 82 HD2 TYR 82 4.814 -4.993 -10.163 642 HE1 TYR 82 HE1 TYR 82 0.740 -6.664 -7.897 643 HE2 TYR 82 HE2 TYR 82 2.850 -5.677 -11.500 644 HH TYR 82 HH TYR 82 0.603 -6.131 -11.370 645 H ARG 83 H ARG 83 7.609 -5.763 -8.796 646 HA ARG 83 HA ARG 83 6.877 -7.636 -10.755 647 HB2 ARG 83 1HB ARG 83 8.508 -5.809 -11.106 648 HB3 ARG 83 2HB ARG 83 9.669 -6.641 -10.082 649 HG2 ARG 83 1HG ARG 83 9.798 -8.487 -11.674 650 HG3 ARG 83 2HG ARG 83 8.569 -7.704 -12.697 651 HD2 ARG 83 1HD ARG 83 11.220 -6.488 -11.955 652 HD3 ARG 83 2HD ARG 83 10.879 -7.359 -13.469 653 HE ARG 83 HE ARG 83 8.955 -5.512 -13.534 654 HH11 ARG 83 1HH1 ARG 83 12.358 -5.203 -12.717 655 HH12 ARG 83 2HH1 ARG 83 12.474 -3.553 -13.288 656 HH21 ARG 83 1HH2 ARG 83 9.119 -3.370 -14.272 657 HH22 ARG 83 2HH2 ARG 83 10.641 -2.516 -14.169 658 H THR 84 H THR 84 9.127 -8.004 -8.013 659 HA THR 84 HA THR 84 9.958 -10.659 -8.609 660 HB THR 84 HB THR 84 9.680 -9.281 -5.904 661 HG1 THR 84 HG1 THR 84 11.151 -8.184 -7.151 662 HG21 THR 84 1HG2 THR 84 11.311 -10.959 -5.134 663 HG22 THR 84 2HG2 THR 84 9.813 -11.739 -5.695 664 HG23 THR 84 3HG2 THR 84 11.261 -11.746 -6.728 665 H ARG 85 H ARG 85 7.229 -9.434 -6.671 666 HA ARG 85 HA ARG 85 6.240 -11.948 -5.815 667 HB2 ARG 85 1HB ARG 85 4.827 -9.332 -6.409 668 HB3 ARG 85 2HB ARG 85 4.007 -10.729 -5.726 669 HG2 ARG 85 1HG ARG 85 5.412 -10.653 -3.751 670 HG3 ARG 85 2HG ARG 85 6.370 -9.326 -4.451 671 HD2 ARG 85 1HD ARG 85 4.382 -7.925 -4.497 672 HD3 ARG 85 2HD ARG 85 3.440 -9.249 -3.773 673 HE ARG 85 HE ARG 85 5.602 -8.835 -2.079 674 HH11 ARG 85 1HH1 ARG 85 2.892 -6.956 -3.288 675 HH12 ARG 85 2HH1 ARG 85 2.785 -5.957 -1.855 676 HH21 ARG 85 1HH2 ARG 85 5.453 -7.533 -0.225 677 HH22 ARG 85 2HH2 ARG 85 4.233 -6.283 -0.121 678 H VAL 86 H VAL 86 5.608 -10.076 -8.779 679 HA VAL 86 HA VAL 86 3.669 -11.853 -9.880 680 HB VAL 86 HB VAL 86 5.650 -9.964 -11.215 681 HG11 VAL 86 1HG1 VAL 86 4.253 -10.145 -13.216 682 HG12 VAL 86 2HG1 VAL 86 5.007 -11.698 -12.788 683 HG13 VAL 86 3HG1 VAL 86 3.288 -11.413 -12.426 684 HG21 VAL 86 1HG2 VAL 86 3.654 -8.519 -11.439 685 HG22 VAL 86 2HG2 VAL 86 2.677 -9.741 -10.590 686 HG23 VAL 86 3HG2 VAL 86 3.989 -8.896 -9.733 687 H LEU 87 H LEU 87 7.218 -11.737 -10.127 688 HA LEU 87 HA LEU 87 7.482 -13.884 -11.990 689 HB2 LEU 87 1HB LEU 87 9.350 -12.814 -9.850 690 HB3 LEU 87 2HB LEU 87 9.815 -14.064 -11.008 691 HG LEU 87 HG LEU 87 8.925 -11.260 -11.772 692 HD11 LEU 87 1HD1 LEU 87 11.307 -10.862 -12.213 693 HD12 LEU 87 2HD1 LEU 87 11.006 -11.218 -10.496 694 HD13 LEU 87 3HD1 LEU 87 11.698 -12.468 -11.557 695 HD21 LEU 87 1HD2 LEU 87 9.851 -11.904 -13.972 696 HD22 LEU 87 2HD2 LEU 87 10.222 -13.527 -13.342 697 HD23 LEU 87 3HD2 LEU 87 8.530 -12.995 -13.489 698 H LYS 88 H LYS 88 7.218 -13.789 -8.461 699 HA LYS 88 HA LYS 88 7.687 -16.600 -8.061 700 HB2 LYS 88 1HB LYS 88 6.247 -14.495 -6.408 701 HB3 LYS 88 2HB LYS 88 6.424 -16.161 -5.876 702 HG2 LYS 88 1HG LYS 88 8.877 -15.935 -5.948 703 HG3 LYS 88 2HG LYS 88 8.706 -14.263 -6.497 704 HD2 LYS 88 1HD LYS 88 7.528 -13.674 -4.422 705 HD3 LYS 88 2HD LYS 88 7.621 -15.355 -3.875 706 HE2 LYS 88 1HE LYS 88 10.087 -15.227 -3.882 707 HE3 LYS 88 2HE LYS 88 10.005 -13.556 -4.445 708 HZ1 LYS 88 1HZ LYS 88 10.319 -13.677 -2.084 709 HZ2 LYS 88 2HZ LYS 88 8.856 -12.990 -2.415 710 HZ3 LYS 88 3HZ LYS 88 8.934 -14.552 -1.889 711 H ILE 89 H ILE 89 4.795 -14.670 -8.733 712 HA ILE 89 HA ILE 89 2.922 -16.821 -8.421 713 HB ILE 89 HB ILE 89 2.808 -14.222 -9.999 714 HG12 ILE 89 1HG1 ILE 89 1.344 -15.029 -7.483 715 HG13 ILE 89 2HG1 ILE 89 2.889 -14.192 -7.473 716 HG21 ILE 89 1HG2 ILE 89 0.396 -14.651 -10.243 717 HG22 ILE 89 2HG2 ILE 89 1.353 -15.897 -11.076 718 HG23 ILE 89 3HG2 ILE 89 0.602 -16.256 -9.503 719 HD11 ILE 89 1HD1 ILE 89 1.044 -12.633 -7.189 720 HD12 ILE 89 2HD1 ILE 89 1.898 -12.322 -8.721 721 HD13 ILE 89 3HD1 ILE 89 0.333 -13.169 -8.729 722 H SER 90 H SER 90 4.660 -15.518 -11.250 723 HA SER 90 HA SER 90 3.410 -17.237 -13.161 724 HB2 SER 90 1HB SER 90 4.599 -15.219 -13.827 725 HB3 SER 90 2HB SER 90 6.107 -15.847 -13.183 726 HG SER 90 HG SER 90 6.340 -17.061 -14.834 Start of MODEL 10 1 H1 MET 1 1H MET 1 5.130 13.172 0.019 2 H2 MET 1 2H MET 1 6.460 13.820 -0.671 3 H3 MET 1 3H MET 1 5.440 14.766 0.184 4 HA MET 1 HA MET 1 4.845 13.407 -2.320 5 HB2 MET 1 1HB MET 1 3.152 15.221 -0.561 6 HB3 MET 1 2HB MET 1 2.721 14.760 -2.201 7 HG2 MET 1 1HG MET 1 2.616 12.402 -1.532 8 HG3 MET 1 2HG MET 1 3.107 12.831 0.108 9 HE1 MET 1 1HE MET 1 -0.955 13.843 -1.849 10 HE2 MET 1 2HE MET 1 0.578 14.503 -2.469 11 HE3 MET 1 3HE MET 1 0.272 12.751 -2.536 12 H ALA 2 H ALA 2 6.129 16.137 -0.652 13 HA ALA 2 HA ALA 2 5.700 18.109 -2.681 14 HB1 ALA 2 1HB ALA 2 7.483 19.370 -1.519 15 HB2 ALA 2 2HB ALA 2 6.294 18.704 -0.376 16 HB3 ALA 2 3HB ALA 2 7.879 17.920 -0.569 17 H GLU 3 H GLU 3 7.982 15.508 -2.346 18 HA GLU 3 HA GLU 3 10.020 16.596 -4.065 19 HB2 GLU 3 1HB GLU 3 10.957 14.356 -4.058 20 HB3 GLU 3 2HB GLU 3 10.407 14.745 -2.433 21 HG2 GLU 3 1HG GLU 3 8.560 13.264 -4.266 22 HG3 GLU 3 2HG GLU 3 9.918 12.409 -3.540 23 H TYR 4 H TYR 4 6.905 15.381 -4.685 24 HA TYR 4 HA TYR 4 7.195 14.262 -7.262 25 HB2 TYR 4 1HB TYR 4 5.063 14.245 -6.050 26 HB3 TYR 4 2HB TYR 4 4.962 15.998 -6.137 27 HD1 TYR 4 HD1 TYR 4 5.294 13.019 -8.386 28 HD2 TYR 4 HD2 TYR 4 3.715 16.967 -7.817 29 HE1 TYR 4 HE1 TYR 4 4.078 12.843 -10.531 30 HE2 TYR 4 HE2 TYR 4 2.500 16.791 -9.961 31 HH TYR 4 HH TYR 4 2.033 15.518 -11.712 32 H GLY 5 H GLY 5 7.280 17.616 -6.201 33 HA2 GLY 5 1HA GLY 5 6.893 18.957 -8.638 34 HA3 GLY 5 2HA GLY 5 7.904 19.543 -7.330 35 H THR 6 H THR 6 9.899 17.594 -7.255 36 HA THR 6 HA THR 6 11.591 18.356 -9.437 37 HB THR 6 HB THR 6 11.871 16.064 -7.447 38 HG1 THR 6 HG1 THR 6 12.961 18.706 -7.509 39 HG21 THR 6 1HG2 THR 6 14.258 16.118 -8.057 40 HG22 THR 6 2HG2 THR 6 13.250 15.715 -9.467 41 HG23 THR 6 3HG2 THR 6 13.919 17.353 -9.291 42 H LEU 7 H LEU 7 9.802 15.352 -8.731 43 HA LEU 7 HA LEU 7 10.652 13.890 -11.004 44 HB2 LEU 7 1HB LEU 7 9.479 12.770 -9.239 45 HB3 LEU 7 2HB LEU 7 8.081 13.839 -9.396 46 HG LEU 7 HG LEU 7 7.521 12.830 -11.562 47 HD11 LEU 7 1HD1 LEU 7 8.777 10.889 -12.383 48 HD12 LEU 7 2HD1 LEU 7 9.792 12.348 -12.316 49 HD13 LEU 7 3HD1 LEU 7 9.954 11.093 -11.065 50 HD21 LEU 7 1HD2 LEU 7 6.924 10.586 -10.716 51 HD22 LEU 7 2HD2 LEU 7 8.076 10.785 -9.374 52 HD23 LEU 7 3HD2 LEU 7 6.641 11.833 -9.478 53 H LEU 8 H LEU 8 7.811 16.016 -10.570 54 HA LEU 8 HA LEU 8 6.656 15.638 -13.105 55 HB2 LEU 8 1HB LEU 8 5.581 16.857 -11.245 56 HB3 LEU 8 2HB LEU 8 6.743 18.174 -11.430 57 HG LEU 8 HG LEU 8 5.835 18.633 -13.698 58 HD11 LEU 8 1HD1 LEU 8 3.747 17.541 -14.386 59 HD12 LEU 8 2HD1 LEU 8 5.079 16.372 -14.226 60 HD13 LEU 8 3HD1 LEU 8 3.834 16.480 -12.960 61 HD21 LEU 8 1HD2 LEU 8 3.689 19.568 -12.905 62 HD22 LEU 8 2HD2 LEU 8 3.772 18.535 -11.458 63 HD23 LEU 8 3HD2 LEU 8 4.978 19.821 -11.704 64 H GLN 9 H GLN 9 9.177 17.945 -12.090 65 HA GLN 9 HA GLN 9 9.451 19.227 -14.629 66 HB2 GLN 9 1HB GLN 9 11.398 18.855 -12.323 67 HB3 GLN 9 2HB GLN 9 11.767 19.820 -13.745 68 HG2 GLN 9 1HG GLN 9 9.940 21.332 -13.262 69 HG3 GLN 9 2HG GLN 9 9.434 20.315 -11.884 70 HE21 GLN 9 1HE2 GLN 9 11.398 23.194 -10.594 71 HE22 GLN 9 2HE2 GLN 9 9.946 22.998 -11.517 72 H ASP 10 H ASP 10 11.080 16.409 -13.188 73 HA ASP 10 HA ASP 10 12.878 15.998 -15.390 74 HB2 ASP 10 1HB ASP 10 11.852 14.165 -13.195 75 HB3 ASP 10 2HB ASP 10 13.006 13.630 -14.408 76 H LEU 11 H LEU 11 9.614 14.839 -14.651 77 HA LEU 11 HA LEU 11 9.393 12.988 -16.808 78 HB2 LEU 11 1HB LEU 11 7.338 14.660 -15.331 79 HB3 LEU 11 2HB LEU 11 6.901 13.485 -16.574 80 HG LEU 11 HG LEU 11 8.385 12.804 -14.012 81 HD11 LEU 11 1HD1 LEU 11 6.239 11.863 -13.278 82 HD12 LEU 11 2HD1 LEU 11 6.130 13.619 -13.549 83 HD13 LEU 11 3HD1 LEU 11 5.462 12.490 -14.751 84 HD21 LEU 11 1HD2 LEU 11 7.817 10.489 -14.665 85 HD22 LEU 11 2HD2 LEU 11 7.060 11.094 -16.158 86 HD23 LEU 11 3HD2 LEU 11 8.814 11.278 -15.910 87 H THR 12 H THR 12 8.752 16.481 -16.593 88 HA THR 12 HA THR 12 7.789 16.769 -19.276 89 HB THR 12 HB THR 12 9.175 18.801 -17.472 90 HG1 THR 12 HG1 THR 12 7.253 18.092 -16.559 91 HG21 THR 12 1HG2 THR 12 8.099 20.478 -18.923 92 HG22 THR 12 2HG2 THR 12 9.225 19.460 -19.853 93 HG23 THR 12 3HG2 THR 12 7.471 19.180 -19.965 94 H ASN 13 H ASN 13 11.032 16.898 -17.843 95 HA ASN 13 HA ASN 13 12.327 17.839 -20.236 96 HB2 ASN 13 1HB ASN 13 13.346 16.446 -17.747 97 HB3 ASN 13 2HB ASN 13 14.407 16.932 -19.062 98 HD21 ASN 13 1HD2 ASN 13 14.237 19.575 -16.421 99 HD22 ASN 13 2HD2 ASN 13 14.551 17.872 -16.401 100 H ASN 14 H ASN 14 11.547 14.638 -18.980 101 HA ASN 14 HA ASN 14 13.174 13.381 -21.111 102 HB2 ASN 14 1HB ASN 14 11.708 12.277 -18.699 103 HB3 ASN 14 2HB ASN 14 12.446 11.249 -19.921 104 HD21 ASN 14 1HD2 ASN 14 14.793 11.842 -17.072 105 HD22 ASN 14 2HD2 ASN 14 13.151 11.301 -17.190 106 H ILE 15 H ILE 15 9.798 13.403 -19.947 107 HA ILE 15 HA ILE 15 9.049 11.956 -22.442 108 HB ILE 15 HB ILE 15 7.532 12.265 -19.816 109 HG12 ILE 15 1HG1 ILE 15 8.795 9.787 -21.002 110 HG13 ILE 15 2HG1 ILE 15 9.583 10.801 -19.804 111 HG21 ILE 15 1HG2 ILE 15 5.966 10.634 -20.789 112 HG22 ILE 15 2HG2 ILE 15 6.021 12.124 -21.759 113 HG23 ILE 15 3HG2 ILE 15 6.876 10.666 -22.319 114 HD11 ILE 15 1HD1 ILE 15 8.523 8.877 -18.764 115 HD12 ILE 15 2HD1 ILE 15 7.747 10.385 -18.225 116 HD13 ILE 15 3HD1 ILE 15 6.949 9.357 -19.438 117 H THR 16 H THR 16 7.747 12.816 -23.926 118 HA THR 16 HA THR 16 7.267 15.645 -23.894 119 HB THR 16 HB THR 16 6.062 15.285 -26.001 120 HG1 THR 16 HG1 THR 16 6.350 12.600 -26.199 121 HG21 THR 16 1HG2 THR 16 7.817 14.102 -27.262 122 HG22 THR 16 2HG2 THR 16 8.531 15.190 -26.049 123 HG23 THR 16 3HG2 THR 16 8.467 13.438 -25.746 124 H LEU 17 H LEU 17 5.193 16.717 -24.120 125 HA LEU 17 HA LEU 17 3.602 16.179 -21.823 126 HB2 LEU 17 1HB LEU 17 3.101 17.925 -24.255 127 HB3 LEU 17 2HB LEU 17 2.046 17.899 -22.839 128 HG LEU 17 HG LEU 17 4.980 18.692 -22.801 129 HD11 LEU 17 1HD1 LEU 17 4.121 20.977 -22.540 130 HD12 LEU 17 2HD1 LEU 17 3.629 20.263 -24.093 131 HD13 LEU 17 3HD1 LEU 17 2.460 20.376 -22.756 132 HD21 LEU 17 1HD2 LEU 17 4.422 19.500 -20.533 133 HD22 LEU 17 2HD2 LEU 17 2.764 18.879 -20.719 134 HD23 LEU 17 3HD2 LEU 17 4.137 17.748 -20.675 135 H GLU 18 H GLU 18 3.127 15.444 -25.261 136 HA GLU 18 HA GLU 18 0.430 14.500 -24.984 137 HB2 GLU 18 1HB GLU 18 2.582 13.949 -27.062 138 HB3 GLU 18 2HB GLU 18 0.940 13.334 -27.190 139 HG2 GLU 18 1HG GLU 18 0.058 15.609 -27.237 140 HG3 GLU 18 2HG GLU 18 1.681 16.263 -27.020 141 H ASP 19 H ASP 19 3.593 12.862 -24.937 142 HA ASP 19 HA ASP 19 2.471 10.219 -24.702 143 HB2 ASP 19 1HB ASP 19 5.231 11.352 -24.130 144 HB3 ASP 19 2HB ASP 19 4.843 9.651 -23.911 145 H LEU 20 H LEU 20 3.627 12.631 -22.369 146 HA LEU 20 HA LEU 20 3.552 10.917 -20.085 147 HB2 LEU 20 1HB LEU 20 4.746 13.094 -20.185 148 HB3 LEU 20 2HB LEU 20 3.191 13.932 -20.233 149 HG LEU 20 HG LEU 20 2.666 13.072 -17.970 150 HD11 LEU 20 1HD1 LEU 20 4.422 11.951 -16.673 151 HD12 LEU 20 2HD1 LEU 20 3.937 10.990 -18.091 152 HD13 LEU 20 3HD1 LEU 20 5.462 11.909 -18.117 153 HD21 LEU 20 1HD2 LEU 20 4.332 14.457 -16.779 154 HD22 LEU 20 2HD2 LEU 20 5.371 14.451 -18.224 155 HD23 LEU 20 3HD2 LEU 20 3.785 15.257 -18.272 156 H GLU 21 H GLU 21 1.151 13.152 -21.477 157 HA GLU 21 HA GLU 21 -0.861 12.661 -19.494 158 HB2 GLU 21 1HB GLU 21 -1.023 13.628 -22.372 159 HB3 GLU 21 2HB GLU 21 -2.426 13.518 -21.318 160 HG2 GLU 21 1HG GLU 21 0.035 15.198 -20.782 161 HG3 GLU 21 2HG GLU 21 -1.484 15.787 -21.454 162 H GLN 22 H GLN 22 0.018 11.052 -22.514 163 HA GLN 22 HA GLN 22 -2.254 9.300 -22.605 164 HB2 GLN 22 1HB GLN 22 -0.722 9.728 -24.535 165 HB3 GLN 22 2HB GLN 22 0.554 8.855 -23.697 166 HG2 GLN 22 1HG GLN 22 -0.460 7.432 -25.346 167 HG3 GLN 22 2HG GLN 22 -0.853 6.817 -23.716 168 HE21 GLN 22 1HE2 GLN 22 -4.212 6.623 -24.525 169 HE22 GLN 22 2HE2 GLN 22 -2.804 5.914 -23.806 170 H LEU 23 H LEU 23 0.948 9.055 -21.096 171 HA LEU 23 HA LEU 23 0.682 6.356 -20.202 172 HB2 LEU 23 1HB LEU 23 2.268 8.705 -19.116 173 HB3 LEU 23 2HB LEU 23 2.401 7.063 -18.477 174 HG LEU 23 HG LEU 23 3.014 7.826 -21.354 175 HD11 LEU 23 1HD1 LEU 23 5.367 7.642 -20.682 176 HD12 LEU 23 2HD1 LEU 23 4.534 8.949 -19.808 177 HD13 LEU 23 3HD1 LEU 23 4.867 7.403 -18.992 178 HD21 LEU 23 1HD2 LEU 23 4.087 5.599 -21.379 179 HD22 LEU 23 2HD2 LEU 23 3.567 5.330 -19.697 180 HD23 LEU 23 3HD2 LEU 23 2.354 5.471 -20.991 181 H LYS 24 H LYS 24 -0.118 9.469 -18.655 182 HA LYS 24 HA LYS 24 -1.091 8.315 -16.217 183 HB2 LYS 24 1HB LYS 24 -1.636 10.969 -17.591 184 HB3 LYS 24 2HB LYS 24 -2.325 10.549 -16.029 185 HG2 LYS 24 1HG LYS 24 0.033 10.207 -15.180 186 HG3 LYS 24 2HG LYS 24 0.605 10.880 -16.713 187 HD2 LYS 24 1HD LYS 24 -1.322 12.313 -14.848 188 HD3 LYS 24 2HD LYS 24 0.431 12.551 -14.835 189 HE2 LYS 24 1HE LYS 24 0.338 13.254 -17.216 190 HE3 LYS 24 2HE LYS 24 -1.416 13.055 -17.197 191 HZ1 LYS 24 1HZ LYS 24 -0.782 15.327 -16.843 192 HZ2 LYS 24 2HZ LYS 24 -1.530 14.741 -15.494 193 HZ3 LYS 24 3HZ LYS 24 0.109 14.928 -15.513 194 H SER 25 H SER 25 -2.647 9.134 -19.297 195 HA SER 25 HA SER 25 -5.322 8.580 -18.460 196 HB2 SER 25 1HB SER 25 -4.014 8.410 -21.194 197 HB3 SER 25 2HB SER 25 -5.744 8.288 -20.916 198 HG SER 25 HG SER 25 -4.022 10.444 -20.423 199 H ALA 26 H ALA 26 -2.753 6.533 -19.803 200 HA ALA 26 HA ALA 26 -4.316 4.196 -20.189 201 HB1 ALA 26 1HB ALA 26 -2.162 2.984 -20.090 202 HB2 ALA 26 2HB ALA 26 -2.050 4.447 -21.098 203 HB3 ALA 26 3HB ALA 26 -1.377 4.447 -19.451 204 H CYS 27 H CYS 27 -2.569 5.393 -17.334 205 HA CYS 27 HA CYS 27 -3.302 3.153 -15.666 206 HB2 CYS 27 1HB CYS 27 -2.402 5.982 -15.015 207 HB3 CYS 27 2HB CYS 27 -2.711 4.762 -13.787 208 HG CYS 27 HG CYS 27 -0.611 4.567 -16.305 209 H LYS 28 H LYS 28 -4.661 6.399 -16.222 210 HA LYS 28 HA LYS 28 -6.681 6.286 -14.233 211 HB2 LYS 28 1HB LYS 28 -6.010 8.342 -15.488 212 HB3 LYS 28 2HB LYS 28 -6.783 7.697 -16.930 213 HG2 LYS 28 1HG LYS 28 -8.965 7.754 -15.833 214 HG3 LYS 28 2HG LYS 28 -8.216 8.307 -14.329 215 HD2 LYS 28 1HD LYS 28 -7.431 10.356 -15.456 216 HD3 LYS 28 2HD LYS 28 -8.147 9.800 -16.976 217 HE2 LYS 28 1HE LYS 28 -10.387 9.807 -15.920 218 HE3 LYS 28 2HE LYS 28 -9.672 10.372 -14.407 219 HZ1 LYS 28 1HZ LYS 28 -10.586 12.172 -15.677 220 HZ2 LYS 28 2HZ LYS 28 -8.951 12.351 -15.555 221 HZ3 LYS 28 3HZ LYS 28 -9.620 11.824 -16.968 222 H GLU 29 H GLU 29 -6.538 4.947 -17.484 223 HA GLU 29 HA GLU 29 -9.231 4.362 -17.947 224 HB2 GLU 29 1HB GLU 29 -7.384 3.913 -19.552 225 HB3 GLU 29 2HB GLU 29 -6.831 2.583 -18.545 226 HG2 GLU 29 1HG GLU 29 -8.922 1.383 -18.932 227 HG3 GLU 29 2HG GLU 29 -9.541 2.731 -19.882 228 H ASP 30 H ASP 30 -6.946 2.745 -15.793 229 HA ASP 30 HA ASP 30 -8.914 0.589 -15.285 230 HB2 ASP 30 1HB ASP 30 -6.025 0.946 -14.393 231 HB3 ASP 30 2HB ASP 30 -7.036 -0.424 -13.954 232 H ILE 31 H ILE 31 -7.343 3.323 -13.709 233 HA ILE 31 HA ILE 31 -8.371 2.655 -11.070 234 HB ILE 31 HB ILE 31 -7.116 5.197 -12.184 235 HG12 ILE 31 1HG1 ILE 31 -5.972 3.113 -10.313 236 HG13 ILE 31 2HG1 ILE 31 -5.692 3.140 -12.047 237 HG21 ILE 31 1HG2 ILE 31 -6.916 5.905 -9.834 238 HG22 ILE 31 2HG2 ILE 31 -8.622 5.717 -10.302 239 HG23 ILE 31 3HG2 ILE 31 -7.828 4.466 -9.320 240 HD11 ILE 31 1HD1 ILE 31 -3.836 4.149 -10.844 241 HD12 ILE 31 2HD1 ILE 31 -4.656 5.359 -11.860 242 HD13 ILE 31 3HD1 ILE 31 -4.938 5.332 -10.102 243 HA PRO 32 HA PRO 32 -12.501 4.050 -11.599 244 HB2 PRO 32 1HB PRO 32 -12.093 4.627 -8.634 245 HB3 PRO 32 2HB PRO 32 -13.465 3.849 -9.434 246 HG2 PRO 32 1HG PRO 32 -11.699 2.298 -8.197 247 HG3 PRO 32 2HG PRO 32 -12.284 1.810 -9.790 248 HD2 PRO 32 1HD PRO 32 -9.659 3.148 -9.036 249 HD3 PRO 32 2HD PRO 32 -9.963 1.819 -10.227 250 H SER 33 H SER 33 -13.373 6.032 -12.035 251 HA SER 33 HA SER 33 -11.543 8.213 -12.245 252 HB2 SER 33 1HB SER 33 -13.399 9.446 -13.175 253 HB3 SER 33 2HB SER 33 -13.454 7.798 -13.783 254 HG SER 33 HG SER 33 -14.848 7.494 -11.813 255 H GLU 34 H GLU 34 -14.010 7.384 -9.879 256 HA GLU 34 HA GLU 34 -14.012 9.966 -8.573 257 HB2 GLU 34 1HB GLU 34 -15.236 8.817 -6.781 258 HB3 GLU 34 2HB GLU 34 -15.900 8.394 -8.353 259 HG2 GLU 34 1HG GLU 34 -13.842 6.618 -7.081 260 HG3 GLU 34 2HG GLU 34 -15.516 6.567 -6.532 261 H LYS 35 H LYS 35 -11.799 7.378 -8.659 262 HA LYS 35 HA LYS 35 -10.558 8.232 -6.093 263 HB2 LYS 35 1HB LYS 35 -9.899 5.896 -7.932 264 HB3 LYS 35 2HB LYS 35 -9.085 6.251 -6.415 265 HG2 LYS 35 1HG LYS 35 -12.025 5.559 -6.705 266 HG3 LYS 35 2HG LYS 35 -10.743 4.454 -6.188 267 HD2 LYS 35 1HD LYS 35 -10.259 5.966 -4.260 268 HD3 LYS 35 2HD LYS 35 -11.609 6.995 -4.760 269 HE2 LYS 35 1HE LYS 35 -13.155 5.065 -4.499 270 HE3 LYS 35 2HE LYS 35 -11.803 4.068 -3.955 271 HZ1 LYS 35 1HZ LYS 35 -13.043 4.953 -2.119 272 HZ2 LYS 35 2HZ LYS 35 -11.514 5.573 -2.107 273 HZ3 LYS 35 3HZ LYS 35 -12.778 6.503 -2.616 274 H SER 36 H SER 36 -10.195 8.411 -9.547 275 HA SER 36 HA SER 36 -7.408 9.074 -9.618 276 HB2 SER 36 1HB SER 36 -7.808 9.783 -11.861 277 HB3 SER 36 2HB SER 36 -8.839 8.388 -11.575 278 HG SER 36 HG SER 36 -10.470 9.978 -10.987 279 H GLU 37 H GLU 37 -10.217 10.834 -8.645 280 HA GLU 37 HA GLU 37 -9.196 13.488 -9.105 281 HB2 GLU 37 1HB GLU 37 -11.308 12.425 -7.188 282 HB3 GLU 37 2HB GLU 37 -10.957 14.135 -7.399 283 HG2 GLU 37 1HG GLU 37 -11.574 13.969 -9.778 284 HG3 GLU 37 2HG GLU 37 -11.931 12.256 -9.562 285 H GLU 38 H GLU 38 -8.422 11.049 -6.834 286 HA GLU 38 HA GLU 38 -7.361 13.043 -4.897 287 HB2 GLU 38 1HB GLU 38 -7.760 10.033 -4.658 288 HB3 GLU 38 2HB GLU 38 -7.068 11.051 -3.402 289 HG2 GLU 38 1HG GLU 38 -9.184 12.329 -3.291 290 HG3 GLU 38 2HG GLU 38 -9.873 11.263 -4.515 291 H ILE 39 H ILE 39 -6.272 11.922 -7.629 292 HA ILE 39 HA ILE 39 -3.610 11.058 -6.637 293 HB ILE 39 HB ILE 39 -4.815 11.069 -9.435 294 HG12 ILE 39 1HG1 ILE 39 -4.073 8.784 -7.594 295 HG13 ILE 39 2HG1 ILE 39 -5.705 9.364 -7.885 296 HG21 ILE 39 1HG2 ILE 39 -2.761 9.894 -10.114 297 HG22 ILE 39 2HG2 ILE 39 -2.393 11.527 -9.512 298 HG23 ILE 39 3HG2 ILE 39 -2.091 10.110 -8.480 299 HD11 ILE 39 1HD1 ILE 39 -5.232 7.379 -9.206 300 HD12 ILE 39 2HD1 ILE 39 -5.502 8.784 -10.264 301 HD13 ILE 39 3HD1 ILE 39 -3.848 8.194 -9.969 302 H THR 40 H THR 40 -2.106 12.520 -6.315 303 HA THR 40 HA THR 40 -2.018 14.859 -8.171 304 HB THR 40 HB THR 40 -1.165 16.247 -6.313 305 HG1 THR 40 HG1 THR 40 -0.479 15.262 -4.582 306 HG21 THR 40 1HG2 THR 40 -3.253 16.417 -5.018 307 HG22 THR 40 2HG2 THR 40 -3.595 16.201 -6.751 308 HG23 THR 40 3HG2 THR 40 -3.769 14.829 -5.632 309 H THR 41 H THR 41 -0.436 12.173 -6.805 310 HA THR 41 HA THR 41 2.183 13.182 -7.829 311 HB THR 41 HB THR 41 3.344 12.059 -5.991 312 HG1 THR 41 HG1 THR 41 2.336 10.636 -4.793 313 HG21 THR 41 1HG2 THR 41 2.585 13.456 -4.109 314 HG22 THR 41 2HG2 THR 41 2.606 14.389 -5.625 315 HG23 THR 41 3HG2 THR 41 1.064 13.794 -4.968 316 H GLY 42 H GLY 42 3.771 11.369 -8.174 317 HA2 GLY 42 1HA GLY 42 2.644 9.311 -9.845 318 HA3 GLY 42 2HA GLY 42 4.315 9.421 -9.322 319 H SER 43 H SER 43 3.680 9.473 -6.462 320 HA SER 43 HA SER 43 3.512 6.652 -5.938 321 HB2 SER 43 1HB SER 43 3.565 7.275 -3.607 322 HB3 SER 43 2HB SER 43 4.694 8.292 -4.488 323 HG SER 43 HG SER 43 2.406 8.913 -3.164 324 H ALA 44 H ALA 44 1.162 9.274 -5.987 325 HA ALA 44 HA ALA 44 -0.985 7.794 -4.787 326 HB1 ALA 44 1HB ALA 44 -2.440 9.511 -5.810 327 HB2 ALA 44 2HB ALA 44 -1.038 10.239 -4.989 328 HB3 ALA 44 3HB ALA 44 -1.058 10.103 -6.762 329 H TRP 45 H TRP 45 -0.037 8.340 -8.187 330 HA TRP 45 HA TRP 45 -1.967 6.787 -9.470 331 HB2 TRP 45 1HB TRP 45 0.975 7.239 -10.014 332 HB3 TRP 45 2HB TRP 45 0.033 6.169 -11.041 333 HD1 TRP 45 HD1 TRP 45 0.980 9.715 -10.712 334 HE1 TRP 45 HE1 TRP 45 -0.456 11.221 -12.248 335 HE3 TRP 45 HE3 TRP 45 -2.695 6.343 -11.906 336 HZ2 TRP 45 HZ2 TRP 45 -2.829 10.982 -13.759 337 HZ3 TRP 45 HZ3 TRP 45 -4.522 7.045 -13.402 338 HH2 TRP 45 HH2 TRP 45 -4.592 9.326 -14.319 339 H PHE 46 H PHE 46 1.175 5.639 -8.180 340 HA PHE 46 HA PHE 46 0.720 2.882 -8.650 341 HB2 PHE 46 1HB PHE 46 2.934 3.619 -8.088 342 HB3 PHE 46 2HB PHE 46 2.394 4.346 -6.583 343 HD1 PHE 46 HD1 PHE 46 2.813 1.088 -8.321 344 HD2 PHE 46 HD2 PHE 46 2.365 3.117 -4.588 345 HE1 PHE 46 HE1 PHE 46 3.346 -1.006 -7.120 346 HE2 PHE 46 HE2 PHE 46 2.900 1.025 -3.384 347 HZ PHE 46 HZ PHE 46 3.389 -1.038 -4.651 348 H SER 47 H SER 47 -0.004 4.892 -5.789 349 HA SER 47 HA SER 47 -0.649 2.852 -3.995 350 HB2 SER 47 1HB SER 47 -1.875 5.612 -4.297 351 HB3 SER 47 2HB SER 47 -2.147 4.565 -2.912 352 HG SER 47 HG SER 47 0.327 5.521 -3.858 353 H PHE 48 H PHE 48 -2.740 4.406 -6.423 354 HA PHE 48 HA PHE 48 -5.082 2.911 -5.522 355 HB2 PHE 48 1HB PHE 48 -4.548 4.813 -7.823 356 HB3 PHE 48 2HB PHE 48 -6.069 3.947 -7.678 357 HD1 PHE 48 HD1 PHE 48 -4.372 6.901 -6.872 358 HD2 PHE 48 HD2 PHE 48 -7.219 4.134 -5.291 359 HE1 PHE 48 HE1 PHE 48 -5.217 8.647 -5.340 360 HE2 PHE 48 HE2 PHE 48 -8.067 5.879 -3.760 361 HZ PHE 48 HZ PHE 48 -7.065 8.136 -3.783 362 H LEU 49 H LEU 49 -2.683 2.678 -8.103 363 HA LEU 49 HA LEU 49 -3.897 0.540 -9.548 364 HB2 LEU 49 1HB LEU 49 -1.001 1.325 -9.109 365 HB3 LEU 49 2HB LEU 49 -1.485 -0.001 -10.172 366 HG LEU 49 HG LEU 49 -2.356 2.887 -10.530 367 HD11 LEU 49 1HD1 LEU 49 -0.720 2.927 -12.361 368 HD12 LEU 49 2HD1 LEU 49 0.061 2.652 -10.787 369 HD13 LEU 49 3HD1 LEU 49 -0.178 1.293 -11.912 370 HD21 LEU 49 1HD2 LEU 49 -3.048 2.075 -12.759 371 HD22 LEU 49 2HD2 LEU 49 -2.538 0.427 -12.317 372 HD23 LEU 49 3HD2 LEU 49 -3.898 1.196 -11.464 373 H GLU 50 H GLU 50 -1.811 0.600 -6.675 374 HA GLU 50 HA GLU 50 -1.716 -2.292 -6.443 375 HB2 GLU 50 1HB GLU 50 0.017 -0.790 -5.464 376 HB3 GLU 50 2HB GLU 50 -1.181 -0.138 -4.356 377 HG2 GLU 50 1HG GLU 50 -1.453 -2.337 -3.319 378 HG3 GLU 50 2HG GLU 50 -0.302 -3.031 -4.459 379 H SER 51 H SER 51 -3.609 0.303 -4.888 380 HA SER 51 HA SER 51 -4.813 -1.370 -2.924 381 HB2 SER 51 1HB SER 51 -5.769 1.228 -4.168 382 HB3 SER 51 2HB SER 51 -6.501 0.478 -2.759 383 HG SER 51 HG SER 51 -3.878 1.433 -3.067 384 H HIS 52 H HIS 52 -5.779 -0.516 -6.227 385 HA HIS 52 HA HIS 52 -8.317 -2.042 -5.874 386 HB2 HIS 52 1HB HIS 52 -7.400 -0.159 -8.079 387 HB3 HIS 52 2HB HIS 52 -8.936 -1.014 -8.063 388 HD1 HIS 52 HD1 HIS 52 -10.443 -0.468 -5.773 389 HD2 HIS 52 HD2 HIS 52 -7.547 2.400 -6.846 390 HE1 HIS 52 HE1 HIS 52 -11.133 1.619 -4.705 391 H ASN 53 H ASN 53 -5.326 -2.906 -6.482 392 HA ASN 53 HA ASN 53 -4.315 -4.587 -7.691 393 HB2 ASN 53 1HB ASN 53 -7.180 -5.580 -7.848 394 HB3 ASN 53 2HB ASN 53 -5.765 -6.530 -8.284 395 HD21 ASN 53 1HD2 ASN 53 -6.992 -6.840 -4.634 396 HD22 ASN 53 2HD2 ASN 53 -7.913 -6.569 -6.077 397 H LYS 54 H LYS 54 -4.810 -2.261 -9.131 398 HA LYS 54 HA LYS 54 -5.589 -3.296 -11.816 399 HB2 LYS 54 1HB LYS 54 -5.232 -0.426 -10.859 400 HB3 LYS 54 2HB LYS 54 -5.738 -0.910 -12.471 401 HG2 LYS 54 1HG LYS 54 -7.271 -1.440 -9.908 402 HG3 LYS 54 2HG LYS 54 -7.632 -0.187 -11.103 403 HD2 LYS 54 1HD LYS 54 -7.962 -1.962 -12.824 404 HD3 LYS 54 2HD LYS 54 -7.679 -3.189 -11.580 405 HE2 LYS 54 1HE LYS 54 -9.612 -2.305 -10.292 406 HE3 LYS 54 2HE LYS 54 -9.908 -1.119 -11.566 407 HZ1 LYS 54 1HZ LYS 54 -11.304 -3.038 -11.807 408 HZ2 LYS 54 2HZ LYS 54 -10.273 -2.935 -13.092 409 HZ3 LYS 54 3HZ LYS 54 -9.999 -4.043 -11.901 410 H LEU 55 H LEU 55 -2.898 -2.818 -9.927 411 HA LEU 55 HA LEU 55 -1.089 -1.652 -11.835 412 HB2 LEU 55 1HB LEU 55 -0.675 -1.729 -9.388 413 HB3 LEU 55 2HB LEU 55 -0.515 -3.486 -9.478 414 HG LEU 55 HG LEU 55 1.471 -3.178 -10.978 415 HD11 LEU 55 1HD1 LEU 55 2.483 -0.946 -11.109 416 HD12 LEU 55 2HD1 LEU 55 0.876 -0.985 -11.872 417 HD13 LEU 55 3HD1 LEU 55 1.079 -0.258 -10.259 418 HD21 LEU 55 1HD2 LEU 55 2.967 -2.442 -9.153 419 HD22 LEU 55 2HD2 LEU 55 1.569 -1.776 -8.274 420 HD23 LEU 55 3HD2 LEU 55 1.698 -3.531 -8.541 421 H ASP 56 H ASP 56 -1.271 -2.653 -13.814 422 HA ASP 56 HA ASP 56 0.326 -5.115 -13.993 423 HB2 ASP 56 1HB ASP 56 -2.292 -5.602 -13.863 424 HB3 ASP 56 2HB ASP 56 -2.246 -5.121 -15.554 425 H LYS 57 H LYS 57 0.565 -5.727 -16.415 426 HA LYS 57 HA LYS 57 1.793 -3.453 -17.659 427 HB2 LYS 57 1HB LYS 57 1.152 -6.234 -18.715 428 HB3 LYS 57 2HB LYS 57 2.078 -5.040 -19.615 429 HG2 LYS 57 1HG LYS 57 3.768 -5.002 -17.796 430 HG3 LYS 57 2HG LYS 57 2.848 -6.249 -16.944 431 HD2 LYS 57 1HD LYS 57 3.123 -7.774 -18.872 432 HD3 LYS 57 2HD LYS 57 4.039 -6.525 -19.728 433 HE2 LYS 57 1HE LYS 57 5.740 -6.544 -17.927 434 HE3 LYS 57 2HE LYS 57 4.829 -7.797 -17.081 435 HZ1 LYS 57 1HZ LYS 57 6.609 -8.720 -18.373 436 HZ2 LYS 57 2HZ LYS 57 5.161 -9.235 -18.973 437 HZ3 LYS 57 3HZ LYS 57 6.013 -8.064 -19.764 438 H ASP 58 H ASP 58 -0.402 -2.116 -19.998 439 HA ASP 58 HA ASP 58 2.361 -2.890 -19.267 440 HB2 ASP 58 1HB ASP 58 1.271 -0.756 -21.144 441 HB3 ASP 58 2HB ASP 58 2.983 -1.005 -20.827 442 H ASN 59 H ASN 59 0.016 -1.349 -17.698 443 HA ASN 59 HA ASN 59 1.116 1.252 -17.176 444 HB2 ASN 59 1HB ASN 59 -0.924 -0.461 -15.735 445 HB3 ASN 59 2HB ASN 59 -0.457 1.132 -15.154 446 HD21 ASN 59 1HD2 ASN 59 -3.474 1.284 -17.388 447 HD22 ASN 59 2HD2 ASN 59 -3.050 0.298 -16.028 448 H LEU 60 H LEU 60 1.603 -1.905 -15.716 449 HA LEU 60 HA LEU 60 3.027 -1.115 -13.405 450 HB2 LEU 60 1HB LEU 60 2.399 -3.428 -13.801 451 HB3 LEU 60 2HB LEU 60 3.413 -3.500 -15.246 452 HG LEU 60 HG LEU 60 5.431 -3.236 -13.816 453 HD11 LEU 60 1HD1 LEU 60 5.196 -3.441 -11.381 454 HD12 LEU 60 2HD1 LEU 60 4.398 -1.975 -11.998 455 HD13 LEU 60 3HD1 LEU 60 3.426 -3.397 -11.548 456 HD21 LEU 60 1HD2 LEU 60 5.307 -5.495 -12.820 457 HD22 LEU 60 2HD2 LEU 60 3.536 -5.481 -13.007 458 HD23 LEU 60 3HD2 LEU 60 4.583 -5.471 -14.447 459 H SER 61 H SER 61 4.209 -1.708 -16.725 460 HA SER 61 HA SER 61 6.940 -1.029 -16.064 461 HB2 SER 61 1HB SER 61 7.354 -1.200 -18.426 462 HB3 SER 61 2HB SER 61 6.256 -2.493 -17.970 463 HG SER 61 HG SER 61 4.624 -0.729 -18.525 464 H TYR 62 H TYR 62 4.111 0.780 -16.976 465 HA TYR 62 HA TYR 62 5.506 3.137 -17.896 466 HB2 TYR 62 1HB TYR 62 2.674 2.706 -16.870 467 HB3 TYR 62 2HB TYR 62 3.259 4.246 -17.481 468 HD1 TYR 62 HD1 TYR 62 5.077 2.276 -19.481 469 HD2 TYR 62 HD2 TYR 62 0.940 3.121 -18.717 470 HE1 TYR 62 HE1 TYR 62 4.509 1.579 -21.783 471 HE2 TYR 62 HE2 TYR 62 0.373 2.422 -21.018 472 HH TYR 62 HH TYR 62 2.839 1.122 -23.208 473 H ILE 63 H ILE 63 3.831 2.381 -14.821 474 HA ILE 63 HA ILE 63 4.735 4.775 -13.518 475 HB ILE 63 HB ILE 63 2.754 3.331 -12.818 476 HG12 ILE 63 1HG1 ILE 63 3.140 3.708 -10.390 477 HG13 ILE 63 2HG1 ILE 63 4.815 4.104 -10.739 478 HG21 ILE 63 1HG2 ILE 63 3.240 1.456 -11.297 479 HG22 ILE 63 2HG2 ILE 63 3.899 1.149 -12.920 480 HG23 ILE 63 3HG2 ILE 63 4.982 1.655 -11.602 481 HD11 ILE 63 1HD1 ILE 63 3.475 6.115 -10.478 482 HD12 ILE 63 2HD1 ILE 63 4.091 5.987 -12.144 483 HD13 ILE 63 3HD1 ILE 63 2.394 5.586 -11.787 484 H GLU 64 H GLU 64 6.105 1.570 -13.936 485 HA GLU 64 HA GLU 64 8.205 1.759 -12.025 486 HB2 GLU 64 1HB GLU 64 7.633 -0.323 -13.242 487 HB3 GLU 64 2HB GLU 64 8.190 0.392 -14.748 488 HG2 GLU 64 1HG GLU 64 10.470 0.587 -13.775 489 HG3 GLU 64 2HG GLU 64 9.887 -0.219 -12.320 490 H HIS 65 H HIS 65 8.140 2.664 -15.488 491 HA HIS 65 HA HIS 65 10.789 3.732 -15.570 492 HB2 HIS 65 1HB HIS 65 9.458 3.190 -17.590 493 HB3 HIS 65 2HB HIS 65 8.359 4.511 -17.223 494 HD1 HIS 65 HD1 HIS 65 12.177 4.250 -17.524 495 HD2 HIS 65 HD2 HIS 65 9.023 6.676 -18.913 496 HE1 HIS 65 HE1 HIS 65 13.222 6.034 -18.826 497 H ILE 66 H ILE 66 7.660 5.224 -14.788 498 HA ILE 66 HA ILE 66 8.599 7.886 -14.480 499 HB ILE 66 HB ILE 66 6.318 6.373 -13.155 500 HG12 ILE 66 1HG1 ILE 66 6.271 8.563 -15.239 501 HG13 ILE 66 2HG1 ILE 66 6.273 6.850 -15.629 502 HG21 ILE 66 1HG2 ILE 66 5.498 8.561 -12.380 503 HG22 ILE 66 2HG2 ILE 66 7.068 8.169 -11.643 504 HG23 ILE 66 3HG2 ILE 66 6.982 9.336 -12.983 505 HD11 ILE 66 1HD1 ILE 66 4.018 7.758 -15.680 506 HD12 ILE 66 2HD1 ILE 66 4.177 6.551 -14.381 507 HD13 ILE 66 3HD1 ILE 66 4.174 8.287 -13.989 508 H PHE 67 H PHE 67 8.457 5.173 -12.179 509 HA PHE 67 HA PHE 67 9.529 6.695 -9.973 510 HB2 PHE 67 1HB PHE 67 9.282 3.720 -10.526 511 HB3 PHE 67 2HB PHE 67 10.019 4.341 -9.057 512 HD1 PHE 67 HD1 PHE 67 7.928 6.828 -9.254 513 HD2 PHE 67 HD2 PHE 67 7.659 2.570 -9.030 514 HE1 PHE 67 HE1 PHE 67 5.694 7.025 -8.214 515 HE2 PHE 67 HE2 PHE 67 5.424 2.763 -7.993 516 HZ PHE 67 HZ PHE 67 4.442 4.993 -7.583 517 H GLU 68 H GLU 68 10.945 4.673 -12.522 518 HA GLU 68 HA GLU 68 13.648 4.792 -11.682 519 HB2 GLU 68 1HB GLU 68 12.864 3.424 -13.587 520 HB3 GLU 68 2HB GLU 68 12.505 4.880 -14.504 521 HG2 GLU 68 1HG GLU 68 14.919 5.483 -14.417 522 HG3 GLU 68 2HG GLU 68 15.239 3.958 -13.596 523 H ILE 69 H ILE 69 11.757 7.078 -13.677 524 HA ILE 69 HA ILE 69 13.843 8.995 -13.991 525 HB ILE 69 HB ILE 69 10.814 9.260 -14.023 526 HG12 ILE 69 1HG1 ILE 69 12.817 9.403 -16.283 527 HG13 ILE 69 2HG1 ILE 69 11.993 7.927 -15.805 528 HG21 ILE 69 1HG2 ILE 69 11.162 11.495 -14.995 529 HG22 ILE 69 2HG2 ILE 69 11.805 11.411 -13.339 530 HG23 ILE 69 3HG2 ILE 69 12.914 11.343 -14.727 531 HD11 ILE 69 1HD1 ILE 69 10.884 8.978 -17.697 532 HD12 ILE 69 2HD1 ILE 69 9.819 8.974 -16.271 533 HD13 ILE 69 3HD1 ILE 69 10.653 10.470 -16.756 534 H SER 70 H SER 70 11.376 8.551 -11.477 535 HA SER 70 HA SER 70 11.976 10.974 -10.060 536 HB2 SER 70 1HB SER 70 10.591 10.116 -8.342 537 HB3 SER 70 2HB SER 70 9.900 9.522 -9.843 538 HG SER 70 HG SER 70 11.595 7.737 -9.251 539 H ARG 71 H ARG 71 13.525 7.877 -10.237 540 HA ARG 71 HA ARG 71 15.396 7.026 -9.202 541 HB2 ARG 71 1HB ARG 71 15.849 9.902 -8.338 542 HB3 ARG 71 2HB ARG 71 17.039 8.611 -8.267 543 HG2 ARG 71 1HG ARG 71 17.057 8.437 -10.693 544 HG3 ARG 71 2HG ARG 71 15.775 9.666 -10.809 545 HD2 ARG 71 1HD ARG 71 18.505 10.083 -9.612 546 HD3 ARG 71 2HD ARG 71 17.991 10.580 -11.240 547 HE ARG 71 HE ARG 71 17.368 11.866 -8.718 548 HH11 ARG 71 1HH1 ARG 71 16.375 11.420 -12.059 549 HH12 ARG 71 2HH1 ARG 71 15.482 12.923 -12.125 550 HH21 ARG 71 1HH2 ARG 71 16.206 13.814 -8.817 551 HH22 ARG 71 2HH2 ARG 71 15.385 14.279 -10.290 552 H ARG 72 H ARG 72 13.126 6.559 -7.833 553 HA ARG 72 HA ARG 72 13.876 7.090 -4.990 554 HB2 ARG 72 1HB ARG 72 11.940 8.484 -5.709 555 HB3 ARG 72 2HB ARG 72 11.064 7.023 -6.138 556 HG2 ARG 72 1HG ARG 72 10.248 7.687 -4.033 557 HG3 ARG 72 2HG ARG 72 11.320 6.302 -3.713 558 HD2 ARG 72 1HD ARG 72 13.099 7.803 -3.074 559 HD3 ARG 72 2HD ARG 72 12.065 9.204 -3.441 560 HE ARG 72 HE ARG 72 11.897 7.419 -1.128 561 HH11 ARG 72 1HH1 ARG 72 10.391 9.967 -3.021 562 HH12 ARG 72 2HH1 ARG 72 9.347 10.490 -1.718 563 HH21 ARG 72 1HH2 ARG 72 10.537 8.108 0.556 564 HH22 ARG 72 2HH2 ARG 72 9.430 9.438 0.307 565 HA PRO 73 HA PRO 73 13.922 2.604 -5.591 566 HB2 PRO 73 1HB PRO 73 15.116 2.972 -2.813 567 HB3 PRO 73 2HB PRO 73 15.628 1.877 -4.104 568 HG2 PRO 73 1HG PRO 73 17.018 4.112 -3.728 569 HG3 PRO 73 2HG PRO 73 16.631 3.620 -5.379 570 HD2 PRO 73 1HD PRO 73 15.295 5.728 -3.640 571 HD3 PRO 73 2HD PRO 73 15.694 5.787 -5.404 572 H ASP 74 H ASP 74 12.840 4.568 -2.845 573 HA ASP 74 HA ASP 74 11.486 2.635 -1.321 574 HB2 ASP 74 1HB ASP 74 10.837 5.562 -1.830 575 HB3 ASP 74 2HB ASP 74 9.968 4.579 -0.661 576 H LEU 75 H LEU 75 10.508 4.264 -4.296 577 HA LEU 75 HA LEU 75 7.882 2.866 -4.167 578 HB2 LEU 75 1HB LEU 75 8.838 5.122 -5.966 579 HB3 LEU 75 2HB LEU 75 7.223 4.405 -5.995 580 HG LEU 75 HG LEU 75 8.422 5.913 -3.644 581 HD11 LEU 75 1HD1 LEU 75 6.847 7.683 -4.286 582 HD12 LEU 75 2HD1 LEU 75 8.034 7.360 -5.572 583 HD13 LEU 75 3HD1 LEU 75 6.373 6.740 -5.718 584 HD21 LEU 75 1HD2 LEU 75 6.108 5.817 -2.779 585 HD22 LEU 75 2HD2 LEU 75 5.621 4.847 -4.191 586 HD23 LEU 75 3HD2 LEU 75 6.775 4.181 -3.009 587 H LEU 76 H LEU 76 10.811 3.248 -6.107 588 HA LEU 76 HA LEU 76 9.887 1.826 -8.406 589 HB2 LEU 76 1HB LEU 76 11.879 3.285 -8.399 590 HB3 LEU 76 2HB LEU 76 12.709 2.155 -7.325 591 HG LEU 76 HG LEU 76 12.657 0.433 -9.104 592 HD11 LEU 76 1HD1 LEU 76 11.954 1.065 -11.370 593 HD12 LEU 76 2HD1 LEU 76 10.603 1.150 -10.215 594 HD13 LEU 76 3HD1 LEU 76 11.404 2.644 -10.759 595 HD21 LEU 76 1HD2 LEU 76 14.290 1.546 -10.588 596 HD22 LEU 76 2HD2 LEU 76 13.774 3.133 -9.967 597 HD23 LEU 76 3HD2 LEU 76 14.579 1.972 -8.883 598 H THR 77 H THR 77 11.649 0.779 -5.491 599 HA THR 77 HA THR 77 12.154 -1.883 -6.199 600 HB THR 77 HB THR 77 11.358 -0.794 -3.464 601 HG1 THR 77 HG1 THR 77 13.214 0.209 -4.035 602 HG21 THR 77 1HG2 THR 77 12.540 -2.771 -2.586 603 HG22 THR 77 2HG2 THR 77 11.155 -3.253 -3.595 604 HG23 THR 77 3HG2 THR 77 12.807 -3.353 -4.245 605 H MET 78 H MET 78 9.156 -0.423 -4.996 606 HA MET 78 HA MET 78 7.810 -2.856 -4.394 607 HB2 MET 78 1HB MET 78 6.773 -0.106 -5.170 608 HB3 MET 78 2HB MET 78 5.718 -1.424 -4.680 609 HG2 MET 78 1HG MET 78 7.926 -0.240 -2.971 610 HG3 MET 78 2HG MET 78 6.210 0.158 -2.851 611 HE1 MET 78 1HE MET 78 4.622 -3.162 -1.575 612 HE2 MET 78 2HE MET 78 4.358 -1.438 -1.934 613 HE3 MET 78 3HE MET 78 4.729 -2.576 -3.252 614 H VAL 79 H VAL 79 7.743 -0.847 -7.349 615 HA VAL 79 HA VAL 79 5.875 -2.636 -8.662 616 HB VAL 79 HB VAL 79 6.298 -1.218 -10.656 617 HG11 VAL 79 1HG1 VAL 79 5.490 0.895 -9.724 618 HG12 VAL 79 2HG1 VAL 79 4.655 -0.508 -9.015 619 HG13 VAL 79 3HG1 VAL 79 5.920 0.338 -8.090 620 HG21 VAL 79 1HG2 VAL 79 7.850 0.699 -10.461 621 HG22 VAL 79 2HG2 VAL 79 8.352 0.127 -8.852 622 HG23 VAL 79 3HG2 VAL 79 8.714 -0.847 -10.296 623 H VAL 80 H VAL 80 9.366 -2.307 -8.503 624 HA VAL 80 HA VAL 80 9.980 -4.097 -10.665 625 HB VAL 80 HB VAL 80 11.499 -3.324 -8.142 626 HG11 VAL 80 1HG1 VAL 80 13.471 -4.353 -9.160 627 HG12 VAL 80 2HG1 VAL 80 12.201 -5.549 -8.812 628 HG13 VAL 80 3HG1 VAL 80 12.459 -4.986 -10.480 629 HG21 VAL 80 1HG2 VAL 80 12.859 -2.022 -9.747 630 HG22 VAL 80 2HG2 VAL 80 11.821 -2.583 -11.080 631 HG23 VAL 80 3HG2 VAL 80 11.150 -1.534 -9.809 632 H ASP 81 H ASP 81 9.446 -4.565 -7.170 633 HA ASP 81 HA ASP 81 9.890 -7.383 -7.145 634 HB2 ASP 81 1HB ASP 81 8.206 -5.555 -5.399 635 HB3 ASP 81 2HB ASP 81 8.333 -7.283 -5.099 636 H TYR 82 H TYR 82 6.974 -5.437 -7.750 637 HA TYR 82 HA TYR 82 5.195 -7.671 -8.020 638 HB2 TYR 82 1HB TYR 82 5.123 -4.783 -8.912 639 HB3 TYR 82 2HB TYR 82 3.886 -5.906 -9.457 640 HD1 TYR 82 HD1 TYR 82 4.522 -3.475 -7.132 641 HD2 TYR 82 HD2 TYR 82 3.027 -7.490 -7.362 642 HE1 TYR 82 HE1 TYR 82 3.280 -3.133 -5.023 643 HE2 TYR 82 HE2 TYR 82 1.785 -7.149 -5.252 644 HH TYR 82 HH TYR 82 1.793 -4.006 -3.601 645 H ARG 83 H ARG 83 7.202 -5.887 -10.344 646 HA ARG 83 HA ARG 83 6.336 -7.303 -12.668 647 HB2 ARG 83 1HB ARG 83 7.656 -5.217 -12.752 648 HB3 ARG 83 2HB ARG 83 9.040 -6.054 -12.063 649 HG2 ARG 83 1HG ARG 83 9.307 -7.403 -14.025 650 HG3 ARG 83 2HG ARG 83 7.767 -6.818 -14.701 651 HD2 ARG 83 1HD ARG 83 8.646 -4.609 -14.915 652 HD3 ARG 83 2HD ARG 83 10.149 -5.083 -14.090 653 HE ARG 83 HE ARG 83 9.986 -6.808 -16.216 654 HH11 ARG 83 1HH1 ARG 83 9.921 -3.312 -15.864 655 HH12 ARG 83 2HH1 ARG 83 10.649 -3.016 -17.426 656 HH21 ARG 83 1HH2 ARG 83 10.931 -6.410 -18.242 657 HH22 ARG 83 2HH2 ARG 83 11.220 -4.769 -18.773 658 H THR 84 H THR 84 8.935 -7.927 -10.313 659 HA THR 84 HA THR 84 10.040 -10.217 -11.564 660 HB THR 84 HB THR 84 9.791 -9.582 -8.592 661 HG1 THR 84 HG1 THR 84 10.991 -8.014 -9.644 662 HG21 THR 84 1HG2 THR 84 11.685 -11.135 -8.331 663 HG22 THR 84 2HG2 THR 84 10.266 -11.972 -9.002 664 HG23 THR 84 3HG2 THR 84 11.617 -11.518 -10.067 665 H ARG 85 H ARG 85 7.299 -9.896 -9.318 666 HA ARG 85 HA ARG 85 6.752 -12.681 -9.068 667 HB2 ARG 85 1HB ARG 85 4.968 -10.238 -8.862 668 HB3 ARG 85 2HB ARG 85 4.394 -11.867 -8.541 669 HG2 ARG 85 1HG ARG 85 5.987 -12.104 -6.707 670 HG3 ARG 85 2HG ARG 85 6.643 -10.487 -7.055 671 HD2 ARG 85 1HD ARG 85 4.477 -9.505 -6.583 672 HD3 ARG 85 2HD ARG 85 3.815 -11.120 -6.245 673 HE ARG 85 HE ARG 85 6.087 -10.735 -4.621 674 HH11 ARG 85 1HH1 ARG 85 2.830 -9.477 -5.011 675 HH12 ARG 85 2HH1 ARG 85 2.657 -9.054 -3.323 676 HH21 ARG 85 1HH2 ARG 85 5.850 -10.180 -2.432 677 HH22 ARG 85 2HH2 ARG 85 4.366 -9.450 -1.862 678 H VAL 86 H VAL 86 5.651 -10.237 -11.411 679 HA VAL 86 HA VAL 86 3.901 -11.954 -12.876 680 HB VAL 86 HB VAL 86 5.508 -9.509 -13.721 681 HG11 VAL 86 1HG1 VAL 86 4.050 -9.399 -15.682 682 HG12 VAL 86 2HG1 VAL 86 5.048 -10.872 -15.676 683 HG13 VAL 86 3HG1 VAL 86 3.328 -10.962 -15.231 684 HG21 VAL 86 1HG2 VAL 86 3.310 -8.388 -13.539 685 HG22 VAL 86 2HG2 VAL 86 2.572 -9.922 -13.019 686 HG23 VAL 86 3HG2 VAL 86 3.786 -9.124 -11.992 687 H LEU 87 H LEU 87 7.378 -11.251 -13.169 688 HA LEU 87 HA LEU 87 7.809 -12.781 -15.544 689 HB2 LEU 87 1HB LEU 87 9.653 -12.004 -13.262 690 HB3 LEU 87 2HB LEU 87 10.208 -12.836 -14.718 691 HG LEU 87 HG LEU 87 8.870 -10.108 -14.711 692 HD11 LEU 87 1HD1 LEU 87 11.131 -9.236 -15.098 693 HD12 LEU 87 2HD1 LEU 87 11.002 -10.051 -13.522 694 HD13 LEU 87 3HD1 LEU 87 11.799 -10.871 -14.886 695 HD21 LEU 87 1HD2 LEU 87 9.732 -10.028 -17.026 696 HD22 LEU 87 2HD2 LEU 87 10.380 -11.676 -16.842 697 HD23 LEU 87 3HD2 LEU 87 8.622 -11.402 -16.803 698 H LYS 88 H LYS 88 7.772 -13.626 -12.110 699 HA LYS 88 HA LYS 88 8.738 -16.339 -12.615 700 HB2 LYS 88 1HB LYS 88 7.630 -14.948 -10.151 701 HB3 LYS 88 2HB LYS 88 8.087 -16.645 -10.160 702 HG2 LYS 88 1HG LYS 88 10.400 -16.020 -10.766 703 HG3 LYS 88 2HG LYS 88 9.936 -14.312 -10.739 704 HD2 LYS 88 1HD LYS 88 9.346 -14.478 -8.365 705 HD3 LYS 88 2HD LYS 88 9.705 -16.211 -8.374 706 HE2 LYS 88 1HE LYS 88 12.060 -15.728 -8.932 707 HE3 LYS 88 2HE LYS 88 11.710 -13.998 -8.952 708 HZ1 LYS 88 1HZ LYS 88 12.659 -14.682 -6.873 709 HZ2 LYS 88 2HZ LYS 88 11.116 -14.151 -6.632 710 HZ3 LYS 88 3HZ LYS 88 11.445 -15.766 -6.612 711 H ILE 89 H ILE 89 5.645 -14.716 -12.252 712 HA ILE 89 HA ILE 89 4.301 -17.378 -12.461 713 HB ILE 89 HB ILE 89 3.267 -14.841 -11.122 714 HG12 ILE 89 1HG1 ILE 89 4.077 -17.471 -9.865 715 HG13 ILE 89 2HG1 ILE 89 5.098 -16.042 -9.911 716 HG21 ILE 89 1HG2 ILE 89 1.392 -16.268 -10.409 717 HG22 ILE 89 2HG2 ILE 89 1.478 -16.166 -12.183 718 HG23 ILE 89 3HG2 ILE 89 2.062 -17.624 -11.347 719 HD11 ILE 89 1HD1 ILE 89 3.961 -16.240 -7.771 720 HD12 ILE 89 2HD1 ILE 89 3.416 -14.784 -8.637 721 HD13 ILE 89 3HD1 ILE 89 2.382 -16.232 -8.589 722 H SER 90 H SER 90 4.241 -17.407 -14.701 723 HA SER 90 HA SER 90 1.990 -15.940 -15.824 724 HB2 SER 90 1HB SER 90 3.736 -14.246 -16.083 725 HB3 SER 90 2HB SER 90 4.797 -15.413 -16.856 726 HG SER 90 HG SER 90 2.644 -14.048 -17.821
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